smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000749279043 836353461 /nfs/dbraw/zinc/35/34/61/836353461.db2.gz NFZRYQHRCVZHBW-LLVKDONJSA-N -1 1 356.325 0.954 10 0 FCAEMM CO[C@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000749718369 836379341 /nfs/dbraw/zinc/37/93/41/836379341.db2.gz ATTFREQUFJLKHV-LLVKDONJSA-N -1 1 358.416 0.777 10 0 FCAEMM C[C@H]1CCN(C(=O)NC[C@@H]2COCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804970953 836495712 /nfs/dbraw/zinc/49/57/12/836495712.db2.gz RDVXHQUBYSRQLH-YFKTTZPYSA-N -1 1 367.368 0.889 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1C(F)(F)F ZINC000866948591 836551674 /nfs/dbraw/zinc/55/16/74/836551674.db2.gz KLUPJXUHUISKBR-VIFPVBQESA-N -1 1 357.354 0.913 10 0 FCAEMM CCO[C@H](CS(=O)(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)C1CC1 ZINC001118895226 847625708 /nfs/dbraw/zinc/62/57/08/847625708.db2.gz LQTZNJAVWXPLFX-SNVBAGLBSA-N -1 1 356.408 0.130 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001119626699 847914001 /nfs/dbraw/zinc/91/40/01/847914001.db2.gz GYLQEUDESLHYNM-VIFPVBQESA-N -1 1 356.308 0.944 10 0 FCAEMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NC[C@H]1CCC2(CCOCC2)CO1 ZINC001119649726 847923767 /nfs/dbraw/zinc/92/37/67/847923767.db2.gz XNWYLBGPLMHFTE-HUUCEWRRSA-N -1 1 354.447 0.875 10 0 FCAEMM O=C([O-])c1ccn(CCCC(=O)N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC001119653284 847924358 /nfs/dbraw/zinc/92/43/58/847924358.db2.gz BSEPCFDSWDLDFU-CQSZACIVSA-N -1 1 350.419 0.542 10 0 FCAEMM CN1C[C@H](CCNC(=O)C(=O)NCc2ccc([O-])c(Cl)c2)CC1=O ZINC001119906272 848026684 /nfs/dbraw/zinc/02/66/84/848026684.db2.gz AIRXZXBRLTZPEC-LLVKDONJSA-N -1 1 353.806 0.646 10 0 FCAEMM C[C@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235349 848580290 /nfs/dbraw/zinc/58/02/90/848580290.db2.gz GJXPZEWVYDBEFG-UWVGGRQHSA-N -1 1 353.814 0.978 10 0 FCAEMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001123914627 848653515 /nfs/dbraw/zinc/65/35/15/848653515.db2.gz PAOHEVPPYOLCHP-NWDGAFQWSA-N -1 1 366.491 0.928 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCc1nn[n-]n1 ZINC001136627484 849230901 /nfs/dbraw/zinc/23/09/01/849230901.db2.gz LDGKPCLGMNAIOU-LLVKDONJSA-N -1 1 352.395 0.232 10 0 FCAEMM CC(C)n1ncc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1Br ZINC001136655854 849232686 /nfs/dbraw/zinc/23/26/86/849232686.db2.gz KMVYLYKZXOQEPP-VIFPVBQESA-N -1 1 370.211 0.953 10 0 FCAEMM O=C(C[C@@H]1CCCS1(=O)=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001136819917 849243909 /nfs/dbraw/zinc/24/39/09/849243909.db2.gz HPFJATODYBUVPG-LBPRGKRZSA-N -1 1 351.388 0.685 10 0 FCAEMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001139657042 849344662 /nfs/dbraw/zinc/34/46/62/849344662.db2.gz FDHOGLXWBRIJHC-MNOVXSKESA-N -1 1 357.432 0.390 10 0 FCAEMM O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001141280478 849388366 /nfs/dbraw/zinc/38/83/66/849388366.db2.gz VPYRHQMAHQOLKL-UHFFFAOYSA-N -1 1 351.378 0.148 10 0 FCAEMM COc1ccc(NC(=O)/C=C/Cn2cncn2)cc1[N-]S(C)(=O)=O ZINC001141413849 849395582 /nfs/dbraw/zinc/39/55/82/849395582.db2.gz KSEWVQVSFXKZKL-ONEGZZNKSA-N -1 1 351.388 0.853 10 0 FCAEMM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)CCc2nn[n-]n2)CC1 ZINC001141736210 849408313 /nfs/dbraw/zinc/40/83/13/849408313.db2.gz VYDZMWROVSPDJV-NSHDSACASA-N -1 1 358.468 0.041 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC001142674798 849457975 /nfs/dbraw/zinc/45/79/75/849457975.db2.gz SBIIJNNZAQGKMO-UHFFFAOYSA-N -1 1 367.383 0.490 10 0 FCAEMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1N=NC(=O)N1C ZINC001143929155 849504761 /nfs/dbraw/zinc/50/47/61/849504761.db2.gz YAQTZWBAYDHAFV-QMMMGPOBSA-N -1 1 371.419 0.682 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccoc2CC(=O)OC)n[n-]1 ZINC001146863915 849568421 /nfs/dbraw/zinc/56/84/21/849568421.db2.gz DDNHDLOOQIFKFS-QMMMGPOBSA-N -1 1 350.331 0.781 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccoc2CC(=O)OC)[n-]1 ZINC001146863915 849568426 /nfs/dbraw/zinc/56/84/26/849568426.db2.gz DDNHDLOOQIFKFS-QMMMGPOBSA-N -1 1 350.331 0.781 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccoc2CC(=O)OC)n1 ZINC001146863915 849568432 /nfs/dbraw/zinc/56/84/32/849568432.db2.gz DDNHDLOOQIFKFS-QMMMGPOBSA-N -1 1 350.331 0.781 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CN2CSCCSC2)n[n-]1 ZINC001166128229 850462181 /nfs/dbraw/zinc/46/21/81/850462181.db2.gz YQTSHQFZPMRUCJ-VIFPVBQESA-N -1 1 359.477 0.856 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CN2CSCCSC2)[n-]1 ZINC001166128229 850462187 /nfs/dbraw/zinc/46/21/87/850462187.db2.gz YQTSHQFZPMRUCJ-VIFPVBQESA-N -1 1 359.477 0.856 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN2CSCCSC2)n1 ZINC001166128229 850462188 /nfs/dbraw/zinc/46/21/88/850462188.db2.gz YQTSHQFZPMRUCJ-VIFPVBQESA-N -1 1 359.477 0.856 10 0 FCAEMM CSCC[C@H](NC(=O)C=Cc1ccc(S(C)(=O)=O)o1)c1nn[n-]n1 ZINC001167448674 850545073 /nfs/dbraw/zinc/54/50/73/850545073.db2.gz NESLSPKDOONBEL-GFAPAMAISA-N -1 1 371.444 0.820 10 0 FCAEMM CSCC[C@H](NC(=O)C=Cc1ccc(S(C)(=O)=O)o1)c1nn[n-]n1 ZINC001167448672 850545228 /nfs/dbraw/zinc/54/52/28/850545228.db2.gz NESLSPKDOONBEL-ATPLWMGHSA-N -1 1 371.444 0.820 10 0 FCAEMM O=C(Nn1ccc(=O)[nH]c1=O)c1ccc(I)cc1[O-] ZINC001168869681 850597980 /nfs/dbraw/zinc/59/79/80/850597980.db2.gz VJDGPKCYVUCMBB-UHFFFAOYSA-N -1 1 373.106 0.643 10 0 FCAEMM O=C(CCC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccc(Cl)cn1 ZINC001170384306 850652298 /nfs/dbraw/zinc/65/22/98/850652298.db2.gz RWJCTOYGXQVGKF-LLVKDONJSA-N -1 1 350.766 0.811 10 0 FCAEMM O=C(CCC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Cl)cn1 ZINC001170384307 850652470 /nfs/dbraw/zinc/65/24/70/850652470.db2.gz RWJCTOYGXQVGKF-NSHDSACASA-N -1 1 350.766 0.811 10 0 FCAEMM NS(=O)(=O)CCCCCCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001175390419 850763755 /nfs/dbraw/zinc/76/37/55/850763755.db2.gz VYEQWQVRVYRIAF-UHFFFAOYSA-N -1 1 373.397 0.362 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN([S@@](C)(=N)=O)CC2)c(=O)[n-]1 ZINC001177171974 850829349 /nfs/dbraw/zinc/82/93/49/850829349.db2.gz GXKZALDSQMBCTD-XMMPIXPASA-N -1 1 373.504 0.881 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)o1 ZINC001179557427 850982311 /nfs/dbraw/zinc/98/23/11/850982311.db2.gz MNDMUZLMIQTORN-JTQLQIEISA-N -1 1 357.388 0.148 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(CO)(C(F)(F)F)CC1 ZINC001179681147 850994828 /nfs/dbraw/zinc/99/48/28/850994828.db2.gz SASWYQGHBAERPH-UHFFFAOYSA-N -1 1 361.320 0.680 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@H]2C=CS(=O)(=O)C2)[n-]c1=O ZINC001180058656 851011143 /nfs/dbraw/zinc/01/11/43/851011143.db2.gz AOJPMKBDFWISCD-GHMZBOCLSA-N -1 1 353.400 0.803 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001213438523 854615767 /nfs/dbraw/zinc/61/57/67/854615767.db2.gz LIYBQAKJRHMRHB-PRHODGIISA-N -1 1 365.354 0.830 10 0 FCAEMM C[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@@](=O)C1 ZINC001254497057 857974419 /nfs/dbraw/zinc/97/44/19/857974419.db2.gz PQLBCKNFGROKQV-VKTRGTBVSA-N -1 1 354.432 0.165 10 0 FCAEMM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001275597312 861136841 /nfs/dbraw/zinc/13/68/41/861136841.db2.gz QBKKRWOKZNTYDR-UHFFFAOYSA-N -1 1 366.443 0.958 10 0 FCAEMM COCC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001289054219 864885100 /nfs/dbraw/zinc/88/51/00/864885100.db2.gz UDJGSYOYZPBDPW-DGCLKSJQSA-N -1 1 351.403 0.151 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001289279768 865002910 /nfs/dbraw/zinc/00/29/10/865002910.db2.gz CIRFKJOJKJYVMS-GRYCIOLGSA-N -1 1 369.443 0.045 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)CCCF)[C@@H]1C ZINC001290678221 865488669 /nfs/dbraw/zinc/48/86/69/865488669.db2.gz JCMOWDUHYNWRDY-BDAKNGLRSA-N -1 1 356.354 0.365 10 0 FCAEMM O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnncc1[O-] ZINC001291605642 865602532 /nfs/dbraw/zinc/60/25/32/865602532.db2.gz SRNDMYYEXDNYEM-UHFFFAOYSA-N -1 1 362.411 0.897 10 0 FCAEMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001292975844 865767523 /nfs/dbraw/zinc/76/75/23/865767523.db2.gz IZFJCJNRJHKDAS-STQMWFEESA-N -1 1 351.407 0.466 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1nn[n-]n1 ZINC001301162160 866251498 /nfs/dbraw/zinc/25/14/98/866251498.db2.gz VOMJBOXOKRKVRD-MMWGEVLESA-N -1 1 359.477 0.466 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)s1 ZINC001349313776 866301252 /nfs/dbraw/zinc/30/12/52/866301252.db2.gz KASFECWTWLRKAL-UHFFFAOYSA-N -1 1 373.500 0.717 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001303202284 866390220 /nfs/dbraw/zinc/39/02/20/866390220.db2.gz XTBAQLXHTBZDPO-NSHDSACASA-N -1 1 352.395 0.671 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C=Cc1ccc(S(C)(=O)=O)o1 ZINC001303200935 866390351 /nfs/dbraw/zinc/39/03/51/866390351.db2.gz FYIWGZBSQHZFND-GQCTYLIASA-N -1 1 353.404 0.894 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(Cn3cnnc3)CC2)o1 ZINC001349638340 866401964 /nfs/dbraw/zinc/40/19/64/866401964.db2.gz ZRISGIBLTXCUID-UHFFFAOYSA-N -1 1 353.404 0.332 10 0 FCAEMM C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001349841286 866458368 /nfs/dbraw/zinc/45/83/68/866458368.db2.gz TZRGAKNVNKSHGI-AUZPSNTRSA-N -1 1 351.447 0.591 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CC2(C1)C[C@@H](O)CNC2=O ZINC001350582526 866635856 /nfs/dbraw/zinc/63/58/56/866635856.db2.gz FWSJNAAJEJMKEJ-SECBINFHSA-N -1 1 355.188 0.478 10 0 FCAEMM CS(C)(=O)=Nc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC001351705893 866948091 /nfs/dbraw/zinc/94/80/91/866948091.db2.gz VVCMZUMTNJNHIO-UHFFFAOYSA-N -1 1 357.417 0.820 10 0 FCAEMM CS(C)(=O)=Nc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC001351705893 866948110 /nfs/dbraw/zinc/94/81/10/866948110.db2.gz VVCMZUMTNJNHIO-UHFFFAOYSA-N -1 1 357.417 0.820 10 0 FCAEMM Cc1cc(C)n(CCC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001354030185 867536626 /nfs/dbraw/zinc/53/66/26/867536626.db2.gz AOAZQUKHHRQLIE-KRWDZBQOSA-N -1 1 350.419 0.278 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC001320433105 868166390 /nfs/dbraw/zinc/16/63/90/868166390.db2.gz CNXTYTNUQIXDSA-UHFFFAOYSA-N -1 1 355.372 0.314 10 0 FCAEMM CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001320446946 868170767 /nfs/dbraw/zinc/17/07/67/868170767.db2.gz RDYAYVOGBXWIKW-CQSZACIVSA-N -1 1 366.399 0.367 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001325832501 870052574 /nfs/dbraw/zinc/05/25/74/870052574.db2.gz FBZYHTGZOZNQGY-UHFFFAOYSA-N -1 1 364.370 0.754 10 0 FCAEMM COc1cc[n-]c(=NNS(=O)(=O)c2coc(C(=O)N(C)C)c2C)n1 ZINC001326171215 870196667 /nfs/dbraw/zinc/19/66/67/870196667.db2.gz BPXHCSJQTMRFST-UHFFFAOYSA-N -1 1 355.376 0.394 10 0 FCAEMM Cc1ccc(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001326216423 870213355 /nfs/dbraw/zinc/21/33/55/870213355.db2.gz MTDFJKIWPIVWKJ-GXFFZTMASA-N -1 1 369.443 0.624 10 0 FCAEMM Cc1ccc(NC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001326216422 870213788 /nfs/dbraw/zinc/21/37/88/870213788.db2.gz MTDFJKIWPIVWKJ-GWCFXTLKSA-N -1 1 369.443 0.624 10 0 FCAEMM COC(=O)Cn1ncc([N-]S(=O)(=O)CC2(OC)CCOCC2)c1C ZINC001326715613 870464730 /nfs/dbraw/zinc/46/47/30/870464730.db2.gz MAGJEGNODFWUOR-UHFFFAOYSA-N -1 1 361.420 0.302 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCCCO2)CCS1 ZINC001344251125 870783150 /nfs/dbraw/zinc/78/31/50/870783150.db2.gz GONYKBCYYLLHFH-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCCCO2)CCS1 ZINC001344251125 870783162 /nfs/dbraw/zinc/78/31/62/870783162.db2.gz GONYKBCYYLLHFH-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC001328043130 871195551 /nfs/dbraw/zinc/19/55/51/871195551.db2.gz FPEQCPNOIPYXSQ-GHMZBOCLSA-N -1 1 354.407 0.345 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)NC2(c3nn[n-]n3)CCCC2)o1 ZINC001329305251 871944003 /nfs/dbraw/zinc/94/40/03/871944003.db2.gz FODRIAWZCPNUGR-GQCTYLIASA-N -1 1 351.388 0.795 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c1C(F)(F)F ZINC001329755631 872232860 /nfs/dbraw/zinc/23/28/60/872232860.db2.gz VOIHJGZJWQQPQH-ZETCQYMHSA-N -1 1 361.367 0.152 10 0 FCAEMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001332206481 873409129 /nfs/dbraw/zinc/40/91/29/873409129.db2.gz BUZTUWYPLCJNGR-CYBMUJFWSA-N -1 1 352.435 0.665 10 0 FCAEMM CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000293929024 214212799 /nfs/dbraw/zinc/21/27/99/214212799.db2.gz PNFMBLSKOSRTAR-JKSUJKDBSA-N -1 1 367.471 0.993 10 0 FCAEMM CCc1nc(CNS(=O)(=O)c2ccc(CCNC(=O)OC)s2)n[nH]1 ZINC000297048931 214376170 /nfs/dbraw/zinc/37/61/70/214376170.db2.gz LZNFAFNSXCQFIF-UHFFFAOYSA-N -1 1 373.460 0.806 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000930582990 674041838 /nfs/dbraw/zinc/04/18/38/674041838.db2.gz SMJGPCIHNDADKD-MEBBXXQBSA-N -1 1 356.369 0.996 10 0 FCAEMM Cn1[n-]c(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)nc1=O ZINC000329769449 214891445 /nfs/dbraw/zinc/89/14/45/214891445.db2.gz FIEQROCKSOQDAR-UHFFFAOYSA-N -1 1 359.386 0.368 10 0 FCAEMM C[S@@](=O)C1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000930757387 674056510 /nfs/dbraw/zinc/05/65/10/674056510.db2.gz MPIWRWYOZUFPHM-XMMPIXPASA-N -1 1 360.382 0.356 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O ZINC000264966512 210027800 /nfs/dbraw/zinc/02/78/00/210027800.db2.gz XYYFRBIXIUUXEI-ZETCQYMHSA-N -1 1 374.772 0.823 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO ZINC000930999835 674085638 /nfs/dbraw/zinc/08/56/38/674085638.db2.gz IWUUXMLDKRQFQD-MXWKQRLJSA-N -1 1 370.368 0.193 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284583297 213173616 /nfs/dbraw/zinc/17/36/16/213173616.db2.gz RVQOHDBJTJPDTB-HUUCEWRRSA-N -1 1 359.430 0.113 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)Nc3nnn[n-]3)C[C@@H](C1)C2=O ZINC000373337831 217009425 /nfs/dbraw/zinc/00/94/25/217009425.db2.gz AZZXEZIUVBPDLG-PBINXNQUSA-N -1 1 350.379 0.600 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)Nc3nn[n-]n3)C[C@@H](C1)C2=O ZINC000373337831 217009427 /nfs/dbraw/zinc/00/94/27/217009427.db2.gz AZZXEZIUVBPDLG-PBINXNQUSA-N -1 1 350.379 0.600 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c(=O)n(C)c1=O ZINC000183865548 209153907 /nfs/dbraw/zinc/15/39/07/209153907.db2.gz LHOWEPMHZZKEPU-UHFFFAOYSA-N -1 1 359.354 0.500 10 0 FCAEMM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000419477026 246176054 /nfs/dbraw/zinc/17/60/54/246176054.db2.gz HGENGVSMYBRPAE-BDAKNGLRSA-N -1 1 350.345 0.420 10 0 FCAEMM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[C@@H](C)CN1CCO ZINC000419477026 246176059 /nfs/dbraw/zinc/17/60/59/246176059.db2.gz HGENGVSMYBRPAE-BDAKNGLRSA-N -1 1 350.345 0.420 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])C1 ZINC000424267908 247193202 /nfs/dbraw/zinc/19/32/02/247193202.db2.gz KSHZZHKYPJUWRV-ZMSDIMECSA-N -1 1 355.479 0.645 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)C(=O)[O-] ZINC000424493683 247239132 /nfs/dbraw/zinc/23/91/32/247239132.db2.gz OMCPKFAPQXOFNT-ZDUSSCGKSA-N -1 1 350.419 0.979 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1S(N)(=O)=O ZINC000425297253 247318595 /nfs/dbraw/zinc/31/85/95/247318595.db2.gz HYAVAGDPGYUARC-SNVBAGLBSA-N -1 1 366.399 0.751 10 0 FCAEMM COC[C@H](CNC(=O)c1ncc(C)cc1[O-])NC(=O)c1ncc(C)cc1O ZINC000438348671 248084617 /nfs/dbraw/zinc/08/46/17/248084617.db2.gz LKKAAXARDIAJFL-LBPRGKRZSA-N -1 1 374.397 0.679 10 0 FCAEMM O=C(N[C@H](CO)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000436790933 248051886 /nfs/dbraw/zinc/05/18/86/248051886.db2.gz HTLRHNFUAHXZTI-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444292340 248354430 /nfs/dbraw/zinc/35/44/30/248354430.db2.gz WTJYFSJEOAMATB-ABAIWWIYSA-N -1 1 365.448 0.606 10 0 FCAEMM Cn1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1Cc1ccccc1 ZINC000445197995 248375156 /nfs/dbraw/zinc/37/51/56/248375156.db2.gz ZNFIVCIAFWSARV-UHFFFAOYSA-N -1 1 360.399 0.785 10 0 FCAEMM Cn1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1Cc1ccccc1 ZINC000445197995 248375157 /nfs/dbraw/zinc/37/51/57/248375157.db2.gz ZNFIVCIAFWSARV-UHFFFAOYSA-N -1 1 360.399 0.785 10 0 FCAEMM CN1CCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000271286890 211371519 /nfs/dbraw/zinc/37/15/19/211371519.db2.gz BCYFRAMJWYGTSS-CQSZACIVSA-N -1 1 369.443 0.446 10 0 FCAEMM COc1ccc(CN2C[C@@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)cc1 ZINC000470981173 250084194 /nfs/dbraw/zinc/08/41/94/250084194.db2.gz DYXPPSNXVLHRET-LBPRGKRZSA-N -1 1 356.386 0.362 10 0 FCAEMM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470979021 250085049 /nfs/dbraw/zinc/08/50/49/250085049.db2.gz FFBSANJJJTWPTN-UHFFFAOYSA-N -1 1 362.415 0.368 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000470980959 250085198 /nfs/dbraw/zinc/08/51/98/250085198.db2.gz ALCVZKVKEHDPJL-JTQLQIEISA-N -1 1 356.415 0.979 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889442 208174006 /nfs/dbraw/zinc/17/40/06/208174006.db2.gz WKVQFVJCJPNQJS-ZETCQYMHSA-N -1 1 355.342 0.966 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116116644 208328619 /nfs/dbraw/zinc/32/86/19/208328619.db2.gz MLJXIBPYVSGYIG-ZDUSSCGKSA-N -1 1 354.414 0.932 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000116982149 208340953 /nfs/dbraw/zinc/34/09/53/208340953.db2.gz FHLDFKPWADUCFI-SECBINFHSA-N -1 1 363.233 0.918 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)no1 ZINC000266320542 210322119 /nfs/dbraw/zinc/32/21/19/210322119.db2.gz RARUYTMGYGKGST-LBPRGKRZSA-N -1 1 353.404 0.332 10 0 FCAEMM Cn1cc(N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2=O)cn1 ZINC000176353521 209001918 /nfs/dbraw/zinc/00/19/18/209001918.db2.gz LTJRUCLONSYKBW-UHFFFAOYSA-N -1 1 352.354 0.146 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)[nH]n1 ZINC000179055248 209072131 /nfs/dbraw/zinc/07/21/31/209072131.db2.gz JLQFZYJVKYUNCA-UHFFFAOYSA-N -1 1 360.399 0.851 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000410027847 533407483 /nfs/dbraw/zinc/40/74/83/533407483.db2.gz ICFYNUOJOYPPET-PWSUYJOCSA-N -1 1 364.427 0.371 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)co1 ZINC000278404686 488873255 /nfs/dbraw/zinc/87/32/55/488873255.db2.gz RARXUFUAAZRLLA-SNVBAGLBSA-N -1 1 366.321 0.955 10 0 FCAEMM COc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323946901 488904741 /nfs/dbraw/zinc/90/47/41/488904741.db2.gz MHMPHDPPIQNHJY-LLVKDONJSA-N -1 1 355.372 0.401 10 0 FCAEMM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015329384 487579894 /nfs/dbraw/zinc/57/98/94/487579894.db2.gz QDRWUXKDNPOSCC-JTQLQIEISA-N -1 1 353.400 0.132 10 0 FCAEMM O=C(C[C@@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000047064141 488010339 /nfs/dbraw/zinc/01/03/39/488010339.db2.gz PDGUMKYYSIQEND-LBPRGKRZSA-N -1 1 370.427 0.921 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)c1Cl ZINC000054829956 488230417 /nfs/dbraw/zinc/23/04/17/488230417.db2.gz DFKGTBJGCQZIFU-SNVBAGLBSA-N -1 1 356.839 0.811 10 0 FCAEMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000074273269 488389590 /nfs/dbraw/zinc/38/95/90/488389590.db2.gz NBBIDWAWMFWNEN-GFCCVEGCSA-N -1 1 369.425 0.760 10 0 FCAEMM CCn1[n-]cc(C(=O)c2ccc(S(=O)(=O)CC)c3c2CNC3=O)c1=O ZINC000089211192 488456786 /nfs/dbraw/zinc/45/67/86/488456786.db2.gz ZQSUDWLFNSZSHY-UHFFFAOYSA-N -1 1 363.395 0.877 10 0 FCAEMM Cc1cnn(C[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000112104180 488533096 /nfs/dbraw/zinc/53/30/96/488533096.db2.gz GNRORZNRHSYWHK-ZDUSSCGKSA-N -1 1 353.382 0.969 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccnn3C)CC2)o1 ZINC000124818819 488596221 /nfs/dbraw/zinc/59/62/21/488596221.db2.gz WGFWCXZUADANAK-UHFFFAOYSA-N -1 1 352.416 0.941 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000274929843 488744971 /nfs/dbraw/zinc/74/49/71/488744971.db2.gz CWNMVXZIVOGHHO-OAHLLOKOSA-N -1 1 369.443 0.862 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c(C)o1 ZINC000275002731 488752387 /nfs/dbraw/zinc/75/23/87/488752387.db2.gz OLLIABUVEOOWDY-LLVKDONJSA-N -1 1 374.415 0.592 10 0 FCAEMM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155545933 488756188 /nfs/dbraw/zinc/75/61/88/488756188.db2.gz ZLTDBMLTZDPHBU-JSGCOSHPSA-N -1 1 357.418 0.755 10 0 FCAEMM CCNC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000157811747 488773551 /nfs/dbraw/zinc/77/35/51/488773551.db2.gz MYEDPJQGNFGNBV-LBPRGKRZSA-N -1 1 360.418 0.102 10 0 FCAEMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCOCC1)c1ncccc1O ZINC000275245698 488776880 /nfs/dbraw/zinc/77/68/80/488776880.db2.gz GWCSFNLCZIKCCX-UHFFFAOYSA-N -1 1 372.381 0.597 10 0 FCAEMM O=C(NCC1(NC(=O)c2ncccc2O)CCOCC1)c1ncccc1[O-] ZINC000275245698 488776883 /nfs/dbraw/zinc/77/68/83/488776883.db2.gz GWCSFNLCZIKCCX-UHFFFAOYSA-N -1 1 372.381 0.597 10 0 FCAEMM O=C(CN1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)N1CCOCC1 ZINC000267793515 488820485 /nfs/dbraw/zinc/82/04/85/488820485.db2.gz VPOJDQIOWXYUIH-UHFFFAOYSA-N -1 1 367.833 0.662 10 0 FCAEMM O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCNC[C@@H]1C(F)F ZINC000563162399 491224472 /nfs/dbraw/zinc/22/44/72/491224472.db2.gz DPPQOTXGDNRUSY-CYBMUJFWSA-N -1 1 364.352 0.323 10 0 FCAEMM CN1C(=O)CC[C@H](C(=O)NCCCc2nc(=O)[n-][nH]2)[C@@H]1c1ccccc1 ZINC000176255810 488857967 /nfs/dbraw/zinc/85/79/67/488857967.db2.gz XRQKYKLFONNWTO-BBRMVZONSA-N -1 1 357.414 0.757 10 0 FCAEMM O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000364693110 488987194 /nfs/dbraw/zinc/98/71/94/488987194.db2.gz BVRCQBHZOWTXPQ-ZOWXZIJZSA-N -1 1 357.370 0.675 10 0 FCAEMM COc1ccc(OC)c(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289571614 489078470 /nfs/dbraw/zinc/07/84/70/489078470.db2.gz YLJPXIQIDALGQO-LLVKDONJSA-N -1 1 361.402 0.933 10 0 FCAEMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2c(C)onc2N)(C(=O)OC)C1(C)C ZINC000289770709 489091932 /nfs/dbraw/zinc/09/19/32/489091932.db2.gz HMURESQDXGFVJH-LKFCYVNXSA-N -1 1 361.420 0.590 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000290837998 489168454 /nfs/dbraw/zinc/16/84/54/489168454.db2.gz VDZXLPXZNJKWGY-GFCCVEGCSA-N -1 1 352.416 0.543 10 0 FCAEMM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815649 489192271 /nfs/dbraw/zinc/19/22/71/489192271.db2.gz BVFJWVBQYZUMLJ-DTWKUNHWSA-N -1 1 361.324 0.215 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)n1nnc(-c2ccccc2)n1 ZINC000282885541 489197024 /nfs/dbraw/zinc/19/70/24/489197024.db2.gz JYEPXPAJADGLBE-DGCLKSJQSA-N -1 1 368.401 0.719 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1COC(=O)N1 ZINC000283195076 489225237 /nfs/dbraw/zinc/22/52/37/489225237.db2.gz IEBHZJWEEOKBJZ-NSHDSACASA-N -1 1 355.372 0.224 10 0 FCAEMM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297860321 489253500 /nfs/dbraw/zinc/25/35/00/489253500.db2.gz YMMSIIGPAUCJAP-UHFFFAOYSA-N -1 1 368.353 0.322 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CC2(CC2(F)F)C1)[N-]CC(F)F ZINC000349462113 489291465 /nfs/dbraw/zinc/29/14/65/489291465.db2.gz SCWXVUQIQGNDNX-UHFFFAOYSA-N -1 1 368.374 0.232 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)c1C ZINC000349476031 489294610 /nfs/dbraw/zinc/29/46/10/489294610.db2.gz GJDDRHGKPNDCGL-SKDRFNHKSA-N -1 1 364.493 0.828 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3nc(C4CC4)nn3C)no2)co1 ZINC000351363661 489355265 /nfs/dbraw/zinc/35/52/65/489355265.db2.gz FEINNCMLVJPNBF-UHFFFAOYSA-N -1 1 364.387 0.834 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000286467863 489394143 /nfs/dbraw/zinc/39/41/43/489394143.db2.gz UHGVSUWIYQFCFN-SFHVURJKSA-N -1 1 360.414 0.590 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286564911 489404593 /nfs/dbraw/zinc/40/45/93/489404593.db2.gz VEBSVFDETTYARP-UHFFFAOYSA-N -1 1 359.333 0.865 10 0 FCAEMM Cc1noc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)n1 ZINC000286943644 489445593 /nfs/dbraw/zinc/44/55/93/489445593.db2.gz QLQUOTRSRIKACM-UHFFFAOYSA-N -1 1 364.225 0.703 10 0 FCAEMM O=S(=O)([N-]CCN1CCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000414456215 489499033 /nfs/dbraw/zinc/49/90/33/489499033.db2.gz IOMSQMFZWQWUOB-UHFFFAOYSA-N -1 1 370.855 0.488 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)o1 ZINC000414454291 489499564 /nfs/dbraw/zinc/49/95/64/489499564.db2.gz AOUKNBTXTPHZQE-UHFFFAOYSA-N -1 1 368.415 0.905 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)c(=O)n(C)c1=O ZINC000451590798 489511144 /nfs/dbraw/zinc/51/11/44/489511144.db2.gz LRDHHCXAEVXLAH-ZDUSSCGKSA-N -1 1 367.402 0.579 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)co1 ZINC000372304153 489568398 /nfs/dbraw/zinc/56/83/98/489568398.db2.gz BJEORBYVGOCUNM-CQSZACIVSA-N -1 1 371.459 0.515 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@](C)(CO)C(C)C ZINC000427395904 489605260 /nfs/dbraw/zinc/60/52/60/489605260.db2.gz QUBKZENKBPRIAO-GOSISDBHSA-N -1 1 366.462 0.783 10 0 FCAEMM COC(CNC(=O)c1ncc(C)cc1[O-])CNC(=O)c1ncc(C)cc1O ZINC000427907038 489628051 /nfs/dbraw/zinc/62/80/51/489628051.db2.gz RZGNFONHQGNFOK-UHFFFAOYSA-N -1 1 374.397 0.679 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC1CCOCC1 ZINC000428401476 489646399 /nfs/dbraw/zinc/64/63/99/489646399.db2.gz QMUYSZZCBQRXQF-OAHLLOKOSA-N -1 1 356.444 0.902 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000429491414 489689964 /nfs/dbraw/zinc/68/99/64/489689964.db2.gz LDFMTMAUFFGCDE-WDEREUQCSA-N -1 1 374.397 0.830 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000429491414 489689968 /nfs/dbraw/zinc/68/99/68/489689968.db2.gz LDFMTMAUFFGCDE-WDEREUQCSA-N -1 1 374.397 0.830 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000429491405 489690185 /nfs/dbraw/zinc/69/01/85/489690185.db2.gz LDFMTMAUFFGCDE-GHMZBOCLSA-N -1 1 374.397 0.830 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000429491405 489690187 /nfs/dbraw/zinc/69/01/87/489690187.db2.gz LDFMTMAUFFGCDE-GHMZBOCLSA-N -1 1 374.397 0.830 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000430336360 489731933 /nfs/dbraw/zinc/73/19/33/489731933.db2.gz YTNPPWWWUDCJQA-ZDUSSCGKSA-N -1 1 350.386 0.917 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc3c(F)cc(F)cc3c2O)n[n-]1 ZINC000493318803 489844725 /nfs/dbraw/zinc/84/47/25/489844725.db2.gz HUYNNTCRYWVFPL-UHFFFAOYSA-N -1 1 369.309 0.580 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc3c(F)cc(F)cc3c2O)[n-]1 ZINC000493318803 489844729 /nfs/dbraw/zinc/84/47/29/489844729.db2.gz HUYNNTCRYWVFPL-UHFFFAOYSA-N -1 1 369.309 0.580 10 0 FCAEMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000476563484 489900580 /nfs/dbraw/zinc/90/05/80/489900580.db2.gz REPUUACLNFVHJF-MXWKQRLJSA-N -1 1 357.432 0.550 10 0 FCAEMM CCOc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1OCC(=O)OC ZINC000477027803 489932485 /nfs/dbraw/zinc/93/24/85/489932485.db2.gz WFEGATBFGLFZII-UHFFFAOYSA-N -1 1 361.358 0.569 10 0 FCAEMM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000477023163 489932809 /nfs/dbraw/zinc/93/28/09/489932809.db2.gz XIJMZTWGYVMNPG-UWVGGRQHSA-N -1 1 361.406 0.052 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000571168519 491289715 /nfs/dbraw/zinc/28/97/15/491289715.db2.gz VXDFAEBIXBJIPN-LBPRGKRZSA-N -1 1 371.242 0.131 10 0 FCAEMM CCn1nccc1CN(CCO)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000477442271 489965494 /nfs/dbraw/zinc/96/54/94/489965494.db2.gz HVGYDPWMTOYCKO-UHFFFAOYSA-N -1 1 372.429 0.832 10 0 FCAEMM Cc1ccncc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000477900866 489996742 /nfs/dbraw/zinc/99/67/42/489996742.db2.gz XONWFARVYRXIMN-UHFFFAOYSA-N -1 1 366.399 0.019 10 0 FCAEMM CCOc1ccc(-n2ncc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2C)nn1 ZINC000478094845 490004257 /nfs/dbraw/zinc/00/42/57/490004257.db2.gz YTICGLRTLSUGRN-SNVBAGLBSA-N -1 1 371.405 0.758 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)o1 ZINC000378234584 490031546 /nfs/dbraw/zinc/03/15/46/490031546.db2.gz POZJQXHNUJRXHV-UHFFFAOYSA-N -1 1 351.380 0.874 10 0 FCAEMM CN1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)ccn2)CC1 ZINC000571332302 491301350 /nfs/dbraw/zinc/30/13/50/491301350.db2.gz ZDISFBUJQGMLAP-CQSZACIVSA-N -1 1 371.445 0.677 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(F)ccc2-n2cccn2)n1 ZINC000479863881 490130528 /nfs/dbraw/zinc/13/05/28/490130528.db2.gz SSTWCPDZMKTNPI-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(F)ccc2-n2cccn2)[n-]1 ZINC000479863881 490130534 /nfs/dbraw/zinc/13/05/34/490130534.db2.gz SSTWCPDZMKTNPI-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nnn[n-]2)cc1 ZINC000564358009 491303285 /nfs/dbraw/zinc/30/32/85/491303285.db2.gz SHKJAAGOYISQCD-UHFFFAOYSA-N -1 1 354.392 0.248 10 0 FCAEMM COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nn[n-]n2)cc1 ZINC000564358009 491303287 /nfs/dbraw/zinc/30/32/87/491303287.db2.gz SHKJAAGOYISQCD-UHFFFAOYSA-N -1 1 354.392 0.248 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC000506961806 490158099 /nfs/dbraw/zinc/15/80/99/490158099.db2.gz MRTRDZHJGDTAOA-UHFFFAOYSA-N -1 1 359.310 0.887 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)co1 ZINC000408051337 490229344 /nfs/dbraw/zinc/22/93/44/490229344.db2.gz JKGKNUXFSIZGPA-UPJWGTAASA-N -1 1 358.416 0.190 10 0 FCAEMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447761348 490269665 /nfs/dbraw/zinc/26/96/65/490269665.db2.gz VAUCCTOQKAUXET-NEPJUHHUSA-N -1 1 366.480 0.519 10 0 FCAEMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1 ZINC000547546144 490312917 /nfs/dbraw/zinc/31/29/17/490312917.db2.gz STYHGXFADNUXQY-LLVKDONJSA-N -1 1 356.310 0.534 10 0 FCAEMM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547545771 490313695 /nfs/dbraw/zinc/31/36/95/490313695.db2.gz LNMPYISUCQOZKW-NSHDSACASA-N -1 1 371.346 0.310 10 0 FCAEMM O=C(NCCNS(=O)(=O)c1cccnc1)c1nc2ccccc2c(=O)[n-]1 ZINC000448238339 490321327 /nfs/dbraw/zinc/32/13/27/490321327.db2.gz GVCAIRXVDRANOV-UHFFFAOYSA-N -1 1 373.394 0.026 10 0 FCAEMM COc1ccnc(N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000498756713 490337075 /nfs/dbraw/zinc/33/70/75/490337075.db2.gz DAGPFZUCAHHIRB-UHFFFAOYSA-N -1 1 366.381 0.684 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)o1 ZINC000534653161 490392685 /nfs/dbraw/zinc/39/26/85/490392685.db2.gz BWQJDANRMAKUOC-ZDUSSCGKSA-N -1 1 363.413 0.783 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000522859672 490412914 /nfs/dbraw/zinc/41/29/14/490412914.db2.gz OPFNVVJGZVBKGF-UHFFFAOYSA-N -1 1 350.404 0.307 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000510007336 490483614 /nfs/dbraw/zinc/48/36/14/490483614.db2.gz LGBNASWJZUYOHG-UHFFFAOYSA-N -1 1 357.326 0.641 10 0 FCAEMM CN(C)S(=O)(=O)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450702336 490486519 /nfs/dbraw/zinc/48/65/19/490486519.db2.gz ZGNAKWPVCYETCT-UHFFFAOYSA-N -1 1 359.795 0.661 10 0 FCAEMM CN(C)S(=O)(=O)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450702336 490486526 /nfs/dbraw/zinc/48/65/26/490486526.db2.gz ZGNAKWPVCYETCT-UHFFFAOYSA-N -1 1 359.795 0.661 10 0 FCAEMM CC(C)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000500567270 490535588 /nfs/dbraw/zinc/53/55/88/490535588.db2.gz HIFHNUSXOJILMB-GMTAPVOTSA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000500567270 490535591 /nfs/dbraw/zinc/53/55/91/490535591.db2.gz HIFHNUSXOJILMB-GMTAPVOTSA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500583843 490536820 /nfs/dbraw/zinc/53/68/20/490536820.db2.gz ZWUBHQKNTZMMNB-SECBINFHSA-N -1 1 371.444 0.663 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500583843 490536823 /nfs/dbraw/zinc/53/68/23/490536823.db2.gz ZWUBHQKNTZMMNB-SECBINFHSA-N -1 1 371.444 0.663 10 0 FCAEMM C[C@H]1Oc2ccccc2N(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O ZINC000524576888 490544742 /nfs/dbraw/zinc/54/47/42/490544742.db2.gz ZVXGXVRRZZALQU-LLVKDONJSA-N -1 1 356.386 0.899 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1C ZINC000548824356 490545202 /nfs/dbraw/zinc/54/52/02/490545202.db2.gz MVOGEXUXTLDKOV-GHMZBOCLSA-N -1 1 367.518 0.756 10 0 FCAEMM O=C(Cc1ccon1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000536197819 490560785 /nfs/dbraw/zinc/56/07/85/490560785.db2.gz MQCPXSHDYKRMSJ-UHFFFAOYSA-N -1 1 367.383 0.582 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)c(=O)n(C)c1=O ZINC000660198316 493333878 /nfs/dbraw/zinc/33/38/78/493333878.db2.gz OOSYVLBQQVUZFP-UHFFFAOYSA-N -1 1 357.354 0.341 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000525494515 490608402 /nfs/dbraw/zinc/60/84/02/490608402.db2.gz BTOIZZXBWQTBFM-GFCCVEGCSA-N -1 1 365.415 0.048 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000525494515 490608405 /nfs/dbraw/zinc/60/84/05/490608405.db2.gz BTOIZZXBWQTBFM-GFCCVEGCSA-N -1 1 365.415 0.048 10 0 FCAEMM Cc1[nH]ncc1C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000564978809 491342635 /nfs/dbraw/zinc/34/26/35/491342635.db2.gz ONYXHUWQROSJHO-XHDPSFHLSA-N -1 1 362.430 0.993 10 0 FCAEMM CC(=O)N1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000556931685 491343922 /nfs/dbraw/zinc/34/39/22/491343922.db2.gz YBDBNNUTOCKEEY-GFCCVEGCSA-N -1 1 371.459 0.955 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2csc(-c3cccnc3)n2)n1 ZINC000512639971 490690650 /nfs/dbraw/zinc/69/06/50/490690650.db2.gz MMHWCYGXXSZTII-UHFFFAOYSA-N -1 1 364.412 0.908 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2csc(-c3cccnc3)n2)[n-]1 ZINC000512639971 490690654 /nfs/dbraw/zinc/69/06/54/490690654.db2.gz MMHWCYGXXSZTII-UHFFFAOYSA-N -1 1 364.412 0.908 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000538069920 490708074 /nfs/dbraw/zinc/70/80/74/490708074.db2.gz VQDXWRIUJSYSTR-NSHDSACASA-N -1 1 371.415 0.253 10 0 FCAEMM O=C(Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1)NC1CCCC1 ZINC000538226294 490720727 /nfs/dbraw/zinc/72/07/27/490720727.db2.gz OWEJKGNCLXDIHQ-GFCCVEGCSA-N -1 1 372.433 0.475 10 0 FCAEMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1nnn[n-]1 ZINC000503446137 490757258 /nfs/dbraw/zinc/75/72/58/490757258.db2.gz JFRJHSFNAUCAMC-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1nn[n-]n1 ZINC000503446137 490757262 /nfs/dbraw/zinc/75/72/62/490757262.db2.gz JFRJHSFNAUCAMC-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000488665457 490770803 /nfs/dbraw/zinc/77/08/03/490770803.db2.gz DLMBCXBKBQXERQ-CYBMUJFWSA-N -1 1 356.382 0.704 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000514621679 490776178 /nfs/dbraw/zinc/77/61/78/490776178.db2.gz FIRSLWQWYFWFBR-TZMCWYRMSA-N -1 1 364.446 0.868 10 0 FCAEMM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)co1 ZINC000539325004 490777653 /nfs/dbraw/zinc/77/76/53/490777653.db2.gz FHNZMNNQJOMTQQ-SECBINFHSA-N -1 1 354.392 0.063 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cn(C[C@H]2CCOC2)nn1 ZINC000530261888 490895644 /nfs/dbraw/zinc/89/56/44/490895644.db2.gz HNFLKVOVBMRNEJ-RISCZKNCSA-N -1 1 354.374 0.347 10 0 FCAEMM Cc1cc2c(cc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-])OCO2 ZINC000530371431 490902105 /nfs/dbraw/zinc/90/21/05/490902105.db2.gz VBTGPMBADYEROW-LBPRGKRZSA-N -1 1 370.427 0.941 10 0 FCAEMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000530868296 490928884 /nfs/dbraw/zinc/92/88/84/490928884.db2.gz KAQUOKWLGSPTCU-UHFFFAOYSA-N -1 1 373.479 0.521 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c(=O)n(C)c1=O ZINC000565292299 491368007 /nfs/dbraw/zinc/36/80/07/491368007.db2.gz UZMRFDKRIFYRQP-UHFFFAOYSA-N -1 1 362.411 0.086 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000518705510 490949074 /nfs/dbraw/zinc/94/90/74/490949074.db2.gz JOCPPTZAFQIUTL-NSHDSACASA-N -1 1 364.427 0.467 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000518705509 490949128 /nfs/dbraw/zinc/94/91/28/490949128.db2.gz JOCPPTZAFQIUTL-LLVKDONJSA-N -1 1 364.427 0.467 10 0 FCAEMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CCOC1 ZINC000544555575 490972174 /nfs/dbraw/zinc/97/21/74/490972174.db2.gz QPPLBXGDRYCSKD-INIZCTEOSA-N -1 1 370.427 0.778 10 0 FCAEMM Cc1cnc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([O-])c1 ZINC000557416543 491373027 /nfs/dbraw/zinc/37/30/27/491373027.db2.gz RBQCPFCUXPITLA-SECBINFHSA-N -1 1 355.338 0.648 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000558717871 491443477 /nfs/dbraw/zinc/44/34/77/491443477.db2.gz AXLGUDBZOQSYLU-AWEZNQCLSA-N -1 1 358.398 0.801 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000567287153 491497367 /nfs/dbraw/zinc/49/73/67/491497367.db2.gz NBGWQXNXTNHSLC-VIFPVBQESA-N -1 1 370.381 0.640 10 0 FCAEMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)ccc1F ZINC000574638480 491510019 /nfs/dbraw/zinc/51/00/19/491510019.db2.gz UYWLVYGCUDJOMY-GFCCVEGCSA-N -1 1 366.436 0.901 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCn3nncc3C2)o1 ZINC000574999480 491532730 /nfs/dbraw/zinc/53/27/30/491532730.db2.gz GMFGXUVDNHQXNS-UHFFFAOYSA-N -1 1 353.404 0.604 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000577220294 491603866 /nfs/dbraw/zinc/60/38/66/491603866.db2.gz LWBSDMXYAWYEAO-CYZMBNFOSA-N -1 1 363.418 0.388 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCC(=O)C1 ZINC000577516639 491629143 /nfs/dbraw/zinc/62/91/43/491629143.db2.gz CYNXWOAUQLHAHO-NSHDSACASA-N -1 1 368.411 0.721 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(S(=O)(=O)NC)c2)n1 ZINC000585682484 491722215 /nfs/dbraw/zinc/72/22/15/491722215.db2.gz SRWFGUNZXDWBAB-UHFFFAOYSA-N -1 1 352.372 0.747 10 0 FCAEMM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1N1CCNC1=O ZINC000586757158 491731757 /nfs/dbraw/zinc/73/17/57/491731757.db2.gz UCDNTYKEXKRQCP-UHFFFAOYSA-N -1 1 364.387 0.299 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1N1CCNC1=O ZINC000586757158 491731759 /nfs/dbraw/zinc/73/17/59/491731759.db2.gz UCDNTYKEXKRQCP-UHFFFAOYSA-N -1 1 364.387 0.299 10 0 FCAEMM Cc1nc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)nn1-c1ccc(F)cc1 ZINC000588006272 491737226 /nfs/dbraw/zinc/73/72/26/491737226.db2.gz AQZHWJKKOOZDIH-UHFFFAOYSA-N -1 1 368.332 0.428 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCCNC(=O)c3ccccc3)nc2n1 ZINC000588006658 491737314 /nfs/dbraw/zinc/73/73/14/491737314.db2.gz PPFVGYNUVZDKCS-UHFFFAOYSA-N -1 1 354.370 0.875 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)[C@H]1n1cccn1 ZINC000580622411 491739011 /nfs/dbraw/zinc/73/90/11/491739011.db2.gz YIKWFQJUOZVXPB-YRGRVCCFSA-N -1 1 368.415 0.533 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000580918128 491751726 /nfs/dbraw/zinc/75/17/26/491751726.db2.gz MSZYXTWPUZVBBB-UHFFFAOYSA-N -1 1 369.385 0.557 10 0 FCAEMM CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1 ZINC000591683704 491818773 /nfs/dbraw/zinc/81/87/73/491818773.db2.gz OWXIWOATTDKHPG-UHFFFAOYSA-N -1 1 363.395 0.711 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCSC1 ZINC000592042048 491829013 /nfs/dbraw/zinc/82/90/13/491829013.db2.gz YFSCSPUYIZJSMD-TZMCWYRMSA-N -1 1 367.489 0.396 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccnn1C ZINC000592092035 491831698 /nfs/dbraw/zinc/83/16/98/491831698.db2.gz LYNNTSHCOONFMF-AWEZNQCLSA-N -1 1 351.384 0.815 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1C)OCO2)c1ccnn1C ZINC000592090975 491831764 /nfs/dbraw/zinc/83/17/64/491831764.db2.gz GVQYOSIIXIFLAZ-CQSZACIVSA-N -1 1 367.383 0.650 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccnn1C ZINC000592096271 491831892 /nfs/dbraw/zinc/83/18/92/491831892.db2.gz KCCZZIPPMGMHDV-IINYFYTJSA-N -1 1 367.431 0.707 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccnn1C ZINC000592095332 491832129 /nfs/dbraw/zinc/83/21/29/491832129.db2.gz YRSORPHWMKGVJY-ZUZCIYMTSA-N -1 1 365.411 0.936 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(CN3CCOCC3)c2)n1 ZINC000600978892 491890863 /nfs/dbraw/zinc/89/08/63/491890863.db2.gz KVLWZUHOFBYPQA-UHFFFAOYSA-N -1 1 365.415 0.293 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(CN3CCOCC3)c2)[n-]1 ZINC000600978892 491890864 /nfs/dbraw/zinc/89/08/64/491890864.db2.gz KVLWZUHOFBYPQA-UHFFFAOYSA-N -1 1 365.415 0.293 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601285820 491901636 /nfs/dbraw/zinc/90/16/36/491901636.db2.gz XYRLLWDQKWWUEN-GJZGRUSLSA-N -1 1 356.444 0.021 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000601368922 491909832 /nfs/dbraw/zinc/90/98/32/491909832.db2.gz GWVHJNKDQDSRBJ-HIFRSBDPSA-N -1 1 358.460 0.791 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)cc1C ZINC000595340501 491921580 /nfs/dbraw/zinc/92/15/80/491921580.db2.gz AYWWLDKUASKFSF-UHFFFAOYSA-N -1 1 367.383 0.716 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000595341607 491921757 /nfs/dbraw/zinc/92/17/57/491921757.db2.gz XJIJOBIFOCSTIP-VIFPVBQESA-N -1 1 365.429 0.619 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](N3CCOCC3)C2(C)C)o1 ZINC000601453974 491921916 /nfs/dbraw/zinc/92/19/16/491921916.db2.gz ZAVOFSJUBWPNFK-QWHCGFSZSA-N -1 1 372.443 0.844 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595401520 491928545 /nfs/dbraw/zinc/92/85/45/491928545.db2.gz JCKCGYIQWBTALE-UHFFFAOYSA-N -1 1 361.420 0.734 10 0 FCAEMM CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000595467012 491933321 /nfs/dbraw/zinc/93/33/21/491933321.db2.gz WOJDMYSPILRTFX-GFCCVEGCSA-N -1 1 365.434 0.632 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)n[n-]1 ZINC000597579859 492048667 /nfs/dbraw/zinc/04/86/67/492048667.db2.gz NHOUSIKDVMGCKD-OLZOCXBDSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)[n-]1 ZINC000597579859 492048668 /nfs/dbraw/zinc/04/86/68/492048668.db2.gz NHOUSIKDVMGCKD-OLZOCXBDSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)n1 ZINC000597579859 492048670 /nfs/dbraw/zinc/04/86/70/492048670.db2.gz NHOUSIKDVMGCKD-OLZOCXBDSA-N -1 1 368.434 0.972 10 0 FCAEMM O=C(CNC(=O)N1CCc2ccccc2C1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381551 492092963 /nfs/dbraw/zinc/09/29/63/492092963.db2.gz ZMPQPYCTTGSGAN-UHFFFAOYSA-N -1 1 369.429 0.853 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)n[n-]1 ZINC000615916944 492106879 /nfs/dbraw/zinc/10/68/79/492106879.db2.gz IAEFSRPAPHQHKY-UHFFFAOYSA-N -1 1 361.383 0.956 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)NC(=O)CS3)n1 ZINC000615916944 492106880 /nfs/dbraw/zinc/10/68/80/492106880.db2.gz IAEFSRPAPHQHKY-UHFFFAOYSA-N -1 1 361.383 0.956 10 0 FCAEMM COCCN1CCC[C@@H]1CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606093527 492114726 /nfs/dbraw/zinc/11/47/26/492114726.db2.gz LJBXINXKZOQJHT-LLVKDONJSA-N -1 1 369.491 0.423 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCC(C)(C)NS(C)(=O)=O)cnc2n1 ZINC000599109513 492136507 /nfs/dbraw/zinc/13/65/07/492136507.db2.gz IZYNTNZADFVAQC-UHFFFAOYSA-N -1 1 352.416 0.701 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC(C)(C)NS(C)(=O)=O)c2=O ZINC000599109513 492136509 /nfs/dbraw/zinc/13/65/09/492136509.db2.gz IZYNTNZADFVAQC-UHFFFAOYSA-N -1 1 352.416 0.701 10 0 FCAEMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599405214 492169151 /nfs/dbraw/zinc/16/91/51/492169151.db2.gz SEUYFMFFJOSCTD-FZMZJTMJSA-N -1 1 373.427 0.508 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000599477667 492178293 /nfs/dbraw/zinc/17/82/93/492178293.db2.gz ZPCILXVIXNTYBR-UHFFFAOYSA-N -1 1 364.370 0.621 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618319786 492223736 /nfs/dbraw/zinc/22/37/36/492223736.db2.gz RBQFBTXZDLGJIQ-JOYOIKCWSA-N -1 1 366.443 0.676 10 0 FCAEMM COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000600015133 492230320 /nfs/dbraw/zinc/23/03/20/492230320.db2.gz GMUWWYCLFYGCHA-GHMZBOCLSA-N -1 1 367.427 0.679 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000610703060 492259312 /nfs/dbraw/zinc/25/93/12/492259312.db2.gz YVFDDTIMDUXBJZ-GFCCVEGCSA-N -1 1 367.420 0.394 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)o1 ZINC000620098883 492288362 /nfs/dbraw/zinc/28/83/62/492288362.db2.gz YSMYCWQXGBAZRU-LLVKDONJSA-N -1 1 370.431 0.208 10 0 FCAEMM Cc1ccc2nc(CNC(=O)C(=O)NCC3(C(=O)[O-])CCOCC3)[nH]c2c1 ZINC000647583873 492324683 /nfs/dbraw/zinc/32/46/83/492324683.db2.gz ITGURXMMURYXCA-UHFFFAOYSA-N -1 1 374.397 0.485 10 0 FCAEMM CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000634518302 492352514 /nfs/dbraw/zinc/35/25/14/492352514.db2.gz VYIXKBLPUZIVKY-JTQLQIEISA-N -1 1 372.219 0.925 10 0 FCAEMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000643450984 492465296 /nfs/dbraw/zinc/46/52/96/492465296.db2.gz MPZBTZKSUNVGLI-NEPJUHHUSA-N -1 1 357.370 0.775 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@H]4C)cc3)nc2n1 ZINC000622871766 492491827 /nfs/dbraw/zinc/49/18/27/492491827.db2.gz ICOMTZFCOHBOCQ-NOZJJQNGSA-N -1 1 366.381 0.995 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C2CCC2)o1 ZINC000649197965 492510136 /nfs/dbraw/zinc/51/01/36/492510136.db2.gz YCCXKRGONITGHD-GFCCVEGCSA-N -1 1 369.443 0.838 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)nc2n1 ZINC000643909546 492601636 /nfs/dbraw/zinc/60/16/36/492601636.db2.gz IKMKVCYCJZNBFM-ZDUSSCGKSA-N -1 1 366.381 0.713 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H](C)Cn3cncn3)c(=O)c2c(OC)c1 ZINC000624249779 492631248 /nfs/dbraw/zinc/63/12/48/492631248.db2.gz YANATVNKERUFSF-JTQLQIEISA-N -1 1 357.370 0.955 10 0 FCAEMM CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629496438 492636112 /nfs/dbraw/zinc/63/61/12/492636112.db2.gz TWMWAMLPWDLJJC-XHSDSOJGSA-N -1 1 355.479 0.502 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387504 492636919 /nfs/dbraw/zinc/63/69/19/492636919.db2.gz NTDZQHXLIYZGGT-VIFPVBQESA-N -1 1 364.305 0.798 10 0 FCAEMM CC[C@@H](C(=O)[O-])N(C)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000650516558 492647659 /nfs/dbraw/zinc/64/76/59/492647659.db2.gz FUSGLFSOKPWEAJ-HNNXBMFYSA-N -1 1 355.479 0.933 10 0 FCAEMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2COC2)c1 ZINC000629631279 492661056 /nfs/dbraw/zinc/66/10/56/492661056.db2.gz WAALRPKTQPYFEQ-UHFFFAOYSA-N -1 1 363.461 0.088 10 0 FCAEMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656896992 492662520 /nfs/dbraw/zinc/66/25/20/492662520.db2.gz KUZGBYJULDLDKV-JTQLQIEISA-N -1 1 364.265 0.843 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3cc(C)no3)CCOCC2)co1 ZINC000629727297 492664460 /nfs/dbraw/zinc/66/44/60/492664460.db2.gz WEUWHPIKFZADKX-UHFFFAOYSA-N -1 1 369.399 0.920 10 0 FCAEMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656998756 492690572 /nfs/dbraw/zinc/69/05/72/492690572.db2.gz BSZLKGOIFZFSSW-LLVKDONJSA-N -1 1 353.238 0.910 10 0 FCAEMM O=S(=O)([N-]CCN1CCC(O)CC1)c1ncccc1Br ZINC000657005311 492692368 /nfs/dbraw/zinc/69/23/68/492692368.db2.gz APVDOLUKQDGHRA-UHFFFAOYSA-N -1 1 364.265 0.579 10 0 FCAEMM C/C=C/C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000629879616 492692761 /nfs/dbraw/zinc/69/27/61/492692761.db2.gz SVFBWBDUUXMMRM-JDGPPOGSSA-N -1 1 369.443 0.862 10 0 FCAEMM COC[C@@]1(C)CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCO1 ZINC000629905168 492699134 /nfs/dbraw/zinc/69/91/34/492699134.db2.gz MBSAOXMGXHZOBZ-LJQANCHMSA-N -1 1 372.425 0.947 10 0 FCAEMM O=C([O-])c1ccccc1CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000630575906 492751882 /nfs/dbraw/zinc/75/18/82/492751882.db2.gz UIMSMNUKGIRPLG-UHFFFAOYSA-N -1 1 360.414 0.097 10 0 FCAEMM Cc1ccc([C@H](CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)N(C)C)cc1 ZINC000651539737 492777387 /nfs/dbraw/zinc/77/73/87/492777387.db2.gz MLBPPROFIDBYQT-HNNXBMFYSA-N -1 1 358.446 0.947 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)[n-]1 ZINC000651591954 492788611 /nfs/dbraw/zinc/78/86/11/492788611.db2.gz GCYLHRRTOLVNBQ-INIZCTEOSA-N -1 1 370.457 0.952 10 0 FCAEMM CCc1ccncc1NC(=O)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000651651812 492801343 /nfs/dbraw/zinc/80/13/43/492801343.db2.gz LPGBAKVTRJGKBL-UHFFFAOYSA-N -1 1 361.431 0.195 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)[n-]1 ZINC000651672404 492804338 /nfs/dbraw/zinc/80/43/38/492804338.db2.gz ZUFQPQNAIUZPHE-ZBFHGGJFSA-N -1 1 370.457 0.856 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2Cc3ccccc3NC2=O)CCOCC1 ZINC000625522261 492809711 /nfs/dbraw/zinc/80/97/11/492809711.db2.gz STTLVJMQYDSSCS-AWEZNQCLSA-N -1 1 354.428 0.665 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c(C(F)(F)F)n1 ZINC000625693903 492863411 /nfs/dbraw/zinc/86/34/11/492863411.db2.gz ZJDCCHKFBIEWHL-VIFPVBQESA-N -1 1 366.365 0.871 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCCC1 ZINC000632048854 492920084 /nfs/dbraw/zinc/92/00/84/492920084.db2.gz VKYMUWXRXAIHDZ-TZMCWYRMSA-N -1 1 370.475 0.793 10 0 FCAEMM COc1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1[N-]S(C)(=O)=O ZINC000626408232 492972860 /nfs/dbraw/zinc/97/28/60/492972860.db2.gz OUDJEWDZFBXQJZ-JGZJWPJOSA-N -1 1 370.431 0.794 10 0 FCAEMM O=S(=O)(Cc1ncsc1Br)[N-]C1COCCOC1 ZINC000632360434 492982855 /nfs/dbraw/zinc/98/28/55/492982855.db2.gz WFHSGDZRGISNAL-UHFFFAOYSA-N -1 1 357.251 0.740 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1=O ZINC000632441353 492998202 /nfs/dbraw/zinc/99/82/02/492998202.db2.gz YSZCUJYJYGIKBH-LJWDBELGSA-N -1 1 374.484 0.861 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000632568865 493031310 /nfs/dbraw/zinc/03/13/10/493031310.db2.gz SAFOJIDEUMGMBL-LLVKDONJSA-N -1 1 357.432 0.777 10 0 FCAEMM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000641605800 493264618 /nfs/dbraw/zinc/26/46/18/493264618.db2.gz VZQCZMTYFULBLE-JTQLQIEISA-N -1 1 362.249 0.991 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)on1 ZINC000660010252 493314989 /nfs/dbraw/zinc/31/49/89/493314989.db2.gz ITDGFEIREOHJJT-UHFFFAOYSA-N -1 1 359.429 0.902 10 0 FCAEMM COC[C@@](C)(CO)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000674384691 493412378 /nfs/dbraw/zinc/41/23/78/493412378.db2.gz VWRJRCLHJFLAGZ-CQSZACIVSA-N -1 1 361.420 0.586 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)sc1C ZINC000676415807 493550403 /nfs/dbraw/zinc/55/04/03/493550403.db2.gz CDBGBRXHYOLZCA-QMTHXVAHSA-N -1 1 372.472 0.759 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)C1CCC1 ZINC000663601430 493602555 /nfs/dbraw/zinc/60/25/55/493602555.db2.gz APQUQNNECDBLKN-CYBMUJFWSA-N -1 1 357.370 0.823 10 0 FCAEMM CO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000672139219 493737461 /nfs/dbraw/zinc/73/74/61/493737461.db2.gz ILEIKENBBKPVOU-OKILXGFUSA-N -1 1 364.446 0.896 10 0 FCAEMM COC[C@](C)(CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000681076024 493743541 /nfs/dbraw/zinc/74/35/41/493743541.db2.gz QOSSZGZBHUIKBC-SFHVURJKSA-N -1 1 360.414 0.999 10 0 FCAEMM CCOC(=O)C1(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CCOCC1 ZINC000425303475 535560483 /nfs/dbraw/zinc/56/04/83/535560483.db2.gz OQMIFWRJKYECLJ-LLVKDONJSA-N -1 1 353.375 0.841 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CCNC[C@@H]3C)s[n-]2)c1 ZINC000415349507 537066502 /nfs/dbraw/zinc/06/65/02/537066502.db2.gz XOUFCXSFOACCEN-JTQLQIEISA-N -1 1 361.427 0.394 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1ccnn1C ZINC000592092953 546609871 /nfs/dbraw/zinc/60/98/71/546609871.db2.gz RKSIKXJKHJUEGD-LLVKDONJSA-N -1 1 363.346 0.074 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccnn1C ZINC000592094162 546610482 /nfs/dbraw/zinc/61/04/82/546610482.db2.gz BMQZCTYWRPPNPQ-MWLCHTKSSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)[C@H](CCF)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000593803442 546752926 /nfs/dbraw/zinc/75/29/26/546752926.db2.gz VESSGVZEHFAALW-VIFPVBQESA-N -1 1 364.395 0.987 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)c1ccccc1 ZINC000594753950 546819855 /nfs/dbraw/zinc/81/98/55/546819855.db2.gz XGLYDWHXXOWTBL-QLFBSQMISA-N -1 1 357.428 0.872 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1cccc(OC)c1 ZINC000594820933 546835335 /nfs/dbraw/zinc/83/53/35/546835335.db2.gz DLUYWMJHEZEJJV-MFKMUULPSA-N -1 1 358.416 0.305 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@H]1n1cccn1 ZINC000550015725 547076161 /nfs/dbraw/zinc/07/61/61/547076161.db2.gz ZZCLAPBNZAEGDM-OUCADQQQSA-N -1 1 369.399 0.960 10 0 FCAEMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000705325809 667775716 /nfs/dbraw/zinc/77/57/16/667775716.db2.gz MXTNRIWBZKJRCB-SNVBAGLBSA-N -1 1 356.242 0.167 10 0 FCAEMM CCn1nc2c(cc1=O)CN(CC(=O)N[N-]C(=O)c1cccs1)CC2 ZINC000078618106 663219015 /nfs/dbraw/zinc/21/90/15/663219015.db2.gz CINAUVKERPDALM-UHFFFAOYSA-N -1 1 361.427 0.144 10 0 FCAEMM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866942278 665220129 /nfs/dbraw/zinc/22/01/29/665220129.db2.gz RFORXCQBKHCZCG-RKDXNWHRSA-N -1 1 357.354 0.911 10 0 FCAEMM COc1ccc(F)cc1CS(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000905989963 666045449 /nfs/dbraw/zinc/04/54/49/666045449.db2.gz RPFNPTDNBCEPTP-UHFFFAOYSA-N -1 1 360.407 0.756 10 0 FCAEMM CN1C(=O)C[C@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C1=O ZINC000908053474 666178920 /nfs/dbraw/zinc/17/89/20/666178920.db2.gz OCNOKXCPHXZNEZ-ZETCQYMHSA-N -1 1 362.130 0.809 10 0 FCAEMM C[C@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCS1(=O)=O ZINC000908285692 666198336 /nfs/dbraw/zinc/19/83/36/666198336.db2.gz UHFZTXNZGCYCGT-ZWNOBZJWSA-N -1 1 370.393 0.871 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC000908732008 666216516 /nfs/dbraw/zinc/21/65/16/666216516.db2.gz IZIRLRPZNYENJY-UGUYLWEFSA-N -1 1 352.479 0.622 10 0 FCAEMM CC(C)(O)[C@@H](O)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000911196518 666326120 /nfs/dbraw/zinc/32/61/20/666326120.db2.gz FEACPMBIHITBHG-JQWIXIFHSA-N -1 1 360.332 0.755 10 0 FCAEMM CS(=O)(=O)CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)COC1 ZINC000912257298 666396889 /nfs/dbraw/zinc/39/68/89/666396889.db2.gz BJCQWLBOEDSODV-UHFFFAOYSA-N -1 1 353.318 0.954 10 0 FCAEMM CS(=O)(=O)CC1(NC(=O)c2ccc(Br)cc2[O-])COC1 ZINC000912258050 666397201 /nfs/dbraw/zinc/39/72/01/666397201.db2.gz GDLKQTOUHMDHTD-UHFFFAOYSA-N -1 1 364.217 0.698 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCCN2CCSC[C@H]12 ZINC000921321880 666433049 /nfs/dbraw/zinc/43/30/49/666433049.db2.gz KYYHYCQLXJDCOJ-NWDGAFQWSA-N -1 1 355.551 0.908 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000921338562 666436010 /nfs/dbraw/zinc/43/60/10/666436010.db2.gz LETKEMUTSFUTHH-HNNXBMFYSA-N -1 1 358.391 0.543 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000921338576 666436018 /nfs/dbraw/zinc/43/60/18/666436018.db2.gz LLNUZWBPGVDTBV-CYBMUJFWSA-N -1 1 352.815 0.451 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000921338577 666436361 /nfs/dbraw/zinc/43/63/61/666436361.db2.gz LLNUZWBPGVDTBV-ZDUSSCGKSA-N -1 1 352.815 0.451 10 0 FCAEMM COc1cc(C(=O)N2CCN(C(=O)C(OC)OC)CC2)cc(Cl)c1[O-] ZINC000912360704 666436450 /nfs/dbraw/zinc/43/64/50/666436450.db2.gz MKCYHDRUFXXKKA-UHFFFAOYSA-N -1 1 372.805 0.958 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC ZINC000921379195 666441978 /nfs/dbraw/zinc/44/19/78/666441978.db2.gz SKKWPIBSWULRML-WOPDTQHZSA-N -1 1 367.489 0.932 10 0 FCAEMM Cc1c(Br)cncc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499188 666530828 /nfs/dbraw/zinc/53/08/28/666530828.db2.gz NKNGGRWSLLHDSR-SNVBAGLBSA-N -1 1 353.180 0.879 10 0 FCAEMM COC[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915134965 666822403 /nfs/dbraw/zinc/82/24/03/666822403.db2.gz AFIUWIWQSKXUMB-SSDOTTSWSA-N -1 1 372.212 0.882 10 0 FCAEMM CC(C)N1C(=O)CN(CC(=O)N[N-]C(=O)c2cccs2)CC1(C)C ZINC000072795358 666840637 /nfs/dbraw/zinc/84/06/37/666840637.db2.gz AXRIYAPPFYTYJX-UHFFFAOYSA-N -1 1 352.460 0.840 10 0 FCAEMM O=C(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000733956124 666943843 /nfs/dbraw/zinc/94/38/43/666943843.db2.gz VDWIRPIECSLQEW-JTQLQIEISA-N -1 1 366.175 0.745 10 0 FCAEMM NC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000735812952 667048627 /nfs/dbraw/zinc/04/86/27/667048627.db2.gz XBNUXUPSLIDDRD-UHFFFAOYSA-N -1 1 362.411 0.886 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)c(C(F)(F)F)n1 ZINC000917062796 667050300 /nfs/dbraw/zinc/05/03/00/667050300.db2.gz ZGWWCVJXRRTHQZ-SNVBAGLBSA-N -1 1 367.397 0.107 10 0 FCAEMM O=S(=O)([N-]C1CC(N2CCOCC2)C1)c1c[nH]nc1C(F)(F)F ZINC000918282990 667109195 /nfs/dbraw/zinc/10/91/95/667109195.db2.gz BGEZQVNZHSMXFM-UHFFFAOYSA-N -1 1 354.354 0.570 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1c(F)cccc1Cl ZINC000918385430 667118416 /nfs/dbraw/zinc/11/84/16/667118416.db2.gz CVKZXWBKAJQDEH-UHFFFAOYSA-N -1 1 364.826 0.859 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COC[C@@H]2O)c1F ZINC000918538435 667125009 /nfs/dbraw/zinc/12/50/09/667125009.db2.gz XYLTUYZFEKBBKE-SFYZADRCSA-N -1 1 370.196 0.635 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1c(F)cccc1Cl ZINC000918980461 667145945 /nfs/dbraw/zinc/14/59/45/667145945.db2.gz MMEVNYMQAXOZMV-SNVBAGLBSA-N -1 1 352.815 0.451 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(Cl)ccc1F ZINC000918982147 667146293 /nfs/dbraw/zinc/14/62/93/667146293.db2.gz UKEXYQPCCCTFJU-LLVKDONJSA-N -1 1 352.815 0.451 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(CC(F)(F)CO)CC2)c1 ZINC000919563954 667186130 /nfs/dbraw/zinc/18/61/30/667186130.db2.gz BKEQHEVBOBDYRO-UHFFFAOYSA-N -1 1 366.386 0.335 10 0 FCAEMM CN(C)Cc1csc(C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)n1 ZINC000921081539 667267506 /nfs/dbraw/zinc/26/75/06/667267506.db2.gz IODSNTYDMULIAR-HXUWFJFHSA-N -1 1 355.511 0.114 10 0 FCAEMM CN(CCN1CCCS1(=O)=O)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000752307307 667510826 /nfs/dbraw/zinc/51/08/26/667510826.db2.gz VZVHNGSBXHEBJK-UHFFFAOYSA-N -1 1 352.412 0.966 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cn1 ZINC000921864777 667522509 /nfs/dbraw/zinc/52/25/09/667522509.db2.gz VJSTUSYLIQKGPD-ONGXEEELSA-N -1 1 357.354 0.775 10 0 FCAEMM O=S(=O)([N-]CCOC1CCOCC1)c1nc[nH]c1Br ZINC000921881328 667530817 /nfs/dbraw/zinc/53/08/17/667530817.db2.gz OGWLODMRHHQPLA-UHFFFAOYSA-N -1 1 354.226 0.646 10 0 FCAEMM O=S(=O)(CCCN1CCOCC1)NCCc1c(F)cc([O-])cc1F ZINC000921964725 667555079 /nfs/dbraw/zinc/55/50/79/667555079.db2.gz FHXAOMWHLXOBIH-UHFFFAOYSA-N -1 1 364.414 0.855 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000758173418 667746325 /nfs/dbraw/zinc/74/63/25/667746325.db2.gz GQTJETVVJYZIFR-LLVKDONJSA-N -1 1 372.834 0.921 10 0 FCAEMM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000712310900 667882478 /nfs/dbraw/zinc/88/24/78/667882478.db2.gz OGHNQQIWRQTHQO-SECBINFHSA-N -1 1 351.270 0.864 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1cc(I)c[nH]1 ZINC000738009786 667897615 /nfs/dbraw/zinc/89/76/15/667897615.db2.gz NDMVAZZMILMTCL-UHFFFAOYSA-N -1 1 358.143 0.942 10 0 FCAEMM Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nc(=O)n(C)[n-]2)cc1C ZINC000765438928 668007083 /nfs/dbraw/zinc/00/70/83/668007083.db2.gz QRKMDVQFSWMBKS-UHFFFAOYSA-N -1 1 368.415 0.089 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000766142730 668022905 /nfs/dbraw/zinc/02/29/05/668022905.db2.gz YNDQWVSVFHXYRQ-GFCCVEGCSA-N -1 1 351.403 0.507 10 0 FCAEMM CCc1ccc(S(=O)(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)s1 ZINC000769831891 668156044 /nfs/dbraw/zinc/15/60/44/668156044.db2.gz IJXLVXWNGFMPLR-UHFFFAOYSA-N -1 1 354.417 0.998 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000776627680 668280498 /nfs/dbraw/zinc/28/04/98/668280498.db2.gz KFZPGGGKKOKAQZ-JTQLQIEISA-N -1 1 364.855 0.599 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)co1 ZINC000772922292 668335598 /nfs/dbraw/zinc/33/55/98/668335598.db2.gz DPKBLILTMHOZAF-MNOVXSKESA-N -1 1 373.431 0.784 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000779377263 668418702 /nfs/dbraw/zinc/41/87/02/668418702.db2.gz BPJDJOUTTZVQMV-VIFPVBQESA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000779377263 668418706 /nfs/dbraw/zinc/41/87/06/668418706.db2.gz BPJDJOUTTZVQMV-VIFPVBQESA-N -1 1 373.435 0.794 10 0 FCAEMM C[C@H]1CCN(CCN2CCCS2(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785464 668725924 /nfs/dbraw/zinc/72/59/24/668725924.db2.gz JQJURGVFZOCIAC-SRVKXCTJSA-N -1 1 371.425 0.799 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000789901282 668866764 /nfs/dbraw/zinc/86/67/64/668866764.db2.gz HLTFJEVWFCGUDA-QMMMGPOBSA-N -1 1 371.419 0.404 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000789901282 668866766 /nfs/dbraw/zinc/86/67/66/668866766.db2.gz HLTFJEVWFCGUDA-QMMMGPOBSA-N -1 1 371.419 0.404 10 0 FCAEMM COC[C@](C)([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000790035665 668870494 /nfs/dbraw/zinc/87/04/94/668870494.db2.gz BDXIRGYIPZKMMC-AWEZNQCLSA-N -1 1 366.436 0.103 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(Br)o1 ZINC000795300694 669024656 /nfs/dbraw/zinc/02/46/56/669024656.db2.gz FGNZQUAWRZKKMT-KPCSLPGQSA-N -1 1 366.189 0.752 10 0 FCAEMM COC[C@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795903870 669070557 /nfs/dbraw/zinc/07/05/57/669070557.db2.gz OQYXDRQWRCSPRB-MRVPVSSYSA-N -1 1 369.798 0.941 10 0 FCAEMM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867033264 669095192 /nfs/dbraw/zinc/09/51/92/669095192.db2.gz GPLOEJRJOOHBNX-JGVFFNPUSA-N -1 1 354.354 0.632 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CCCN(c2ncccn2)C1 ZINC000820786885 669127117 /nfs/dbraw/zinc/12/71/17/669127117.db2.gz ZFSOJLGNPOKWHV-LBPRGKRZSA-N -1 1 359.477 0.542 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c(Br)n1 ZINC000867024883 669289406 /nfs/dbraw/zinc/28/94/06/669289406.db2.gz JEWKPTOGFUUGGX-SSDOTTSWSA-N -1 1 366.159 0.774 10 0 FCAEMM COC(=O)[C@H]1CSCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000839934977 669335059 /nfs/dbraw/zinc/33/50/59/669335059.db2.gz OOOYHIRPRODMQU-SNVBAGLBSA-N -1 1 352.441 0.996 10 0 FCAEMM CCS(=O)(=O)NCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807705278 669509208 /nfs/dbraw/zinc/50/92/08/669509208.db2.gz APCOVFAOSRJCHT-QXEWZRGKSA-N -1 1 373.397 0.230 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000828173680 669622784 /nfs/dbraw/zinc/62/27/84/669622784.db2.gz FRKQKPSJNIXSMT-UHFFFAOYSA-N -1 1 366.342 0.440 10 0 FCAEMM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810584945 669690526 /nfs/dbraw/zinc/69/05/26/669690526.db2.gz XXCXUSBVHFDIJA-AWEZNQCLSA-N -1 1 352.428 0.598 10 0 FCAEMM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810682347 669697048 /nfs/dbraw/zinc/69/70/48/669697048.db2.gz XIGGPCRMDJFXGE-UEKVPHQBSA-N -1 1 366.455 0.843 10 0 FCAEMM COCC[C@H](C)S(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000814285504 669879788 /nfs/dbraw/zinc/87/97/88/669879788.db2.gz WAJSTECLAOAVBU-YDHLFZDLSA-N -1 1 359.444 0.824 10 0 FCAEMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000867115500 669982471 /nfs/dbraw/zinc/98/24/71/669982471.db2.gz SBJLPXNDKGLIPK-LLVKDONJSA-N -1 1 371.337 0.439 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)CN1C1CC1 ZINC000867274478 670611824 /nfs/dbraw/zinc/61/18/24/670611824.db2.gz HUXGKVGQZGBHJH-DETPVDSQSA-N -1 1 352.412 0.164 10 0 FCAEMM CCCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843018103 670767779 /nfs/dbraw/zinc/76/77/79/670767779.db2.gz GLNGIBZRLVIMHY-CQSZACIVSA-N -1 1 373.519 0.955 10 0 FCAEMM C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017791 670768036 /nfs/dbraw/zinc/76/80/36/670768036.db2.gz KBHVJJVYNQUORI-CYBMUJFWSA-N -1 1 367.471 0.735 10 0 FCAEMM Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018604 670768741 /nfs/dbraw/zinc/76/87/41/670768741.db2.gz ZWJGKORGVOBFRU-UHFFFAOYSA-N -1 1 356.492 0.900 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)c1C(F)(F)F ZINC000867378183 670960928 /nfs/dbraw/zinc/96/09/28/670960928.db2.gz SWRVDTMHZNJQQM-RKDXNWHRSA-N -1 1 366.365 0.871 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)CCOCC1 ZINC000845939500 671054220 /nfs/dbraw/zinc/05/42/20/671054220.db2.gz JMHPTNGAAMDCGC-HIFRSBDPSA-N -1 1 357.428 0.596 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)c(=O)n(C)c1=O ZINC000845979110 671060427 /nfs/dbraw/zinc/06/04/27/671060427.db2.gz GVEKHDHEGVKHKZ-NWDGAFQWSA-N -1 1 353.803 0.067 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000847049833 671168743 /nfs/dbraw/zinc/16/87/43/671168743.db2.gz YNGXOBHHVMLAFN-NAKRPEOUSA-N -1 1 370.393 0.868 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC1COCCOC1 ZINC000847376162 671187403 /nfs/dbraw/zinc/18/74/03/671187403.db2.gz QBZRDHRMLIBSSA-MWLCHTKSSA-N -1 1 353.341 0.643 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000848340874 671270589 /nfs/dbraw/zinc/27/05/89/671270589.db2.gz RZEUVYMSVIZUTK-PSASIEDQSA-N -1 1 360.336 0.796 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)o1 ZINC000848513857 671283096 /nfs/dbraw/zinc/28/30/96/671283096.db2.gz QCRVQRCHCGBMGU-SNVBAGLBSA-N -1 1 358.372 0.718 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1cccc(F)n1 ZINC000848956968 671305653 /nfs/dbraw/zinc/30/56/53/671305653.db2.gz HKZVIADNKKJLCG-UHFFFAOYSA-N -1 1 353.397 0.320 10 0 FCAEMM CC1(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC000849232474 671323683 /nfs/dbraw/zinc/32/36/83/671323683.db2.gz NIFOSMOBYZHXFA-YUMQZZPRSA-N -1 1 358.338 0.465 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000849369038 671329623 /nfs/dbraw/zinc/32/96/23/671329623.db2.gz WSGLHEYFEVKSSZ-HUUCEWRRSA-N -1 1 357.428 0.701 10 0 FCAEMM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000849424457 671341662 /nfs/dbraw/zinc/34/16/62/671341662.db2.gz ZQQMACZOHQRHEK-AXFHLTTASA-N -1 1 351.856 0.918 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1Cl ZINC000851825102 671471417 /nfs/dbraw/zinc/47/14/17/671471417.db2.gz SXTCORGONBYSTP-VXGBXAGGSA-N -1 1 374.894 0.995 10 0 FCAEMM COC(=O)CC1(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC000852733821 671520328 /nfs/dbraw/zinc/52/03/28/671520328.db2.gz ZTGLHOFNMXSMFK-ONGXEEELSA-N -1 1 366.336 0.926 10 0 FCAEMM C[C@@H]1CN(CC[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CCO1 ZINC000852734414 671520760 /nfs/dbraw/zinc/52/07/60/671520760.db2.gz AXEJJOYXMQMMLK-UTUOFQBUSA-N -1 1 367.368 0.303 10 0 FCAEMM COC(=O)CC[C@@H](C(=O)OC)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756247 671523483 /nfs/dbraw/zinc/52/34/83/671523483.db2.gz ALSVSLGFHWXBIR-VWYCJHECSA-N -1 1 368.352 0.870 10 0 FCAEMM COC(=O)CC[C@H](C(=O)OC)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756246 671523682 /nfs/dbraw/zinc/52/36/82/671523682.db2.gz ALSVSLGFHWXBIR-OUAUKWLOSA-N -1 1 368.352 0.870 10 0 FCAEMM CCn1cncc([N-]S(=O)(=O)c2cnn(C)c2Br)c1=O ZINC000903175858 675918565 /nfs/dbraw/zinc/91/85/65/675918565.db2.gz URKGMDDMGFNXFO-UHFFFAOYSA-N -1 1 362.209 0.560 10 0 FCAEMM CS(=O)(=O)CC1(CCNC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000855215172 671630352 /nfs/dbraw/zinc/63/03/52/671630352.db2.gz MZGVNABUVWCHAB-UHFFFAOYSA-N -1 1 354.457 0.963 10 0 FCAEMM COC[C@]1(C(=O)OC)CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000855377667 671639161 /nfs/dbraw/zinc/63/91/61/671639161.db2.gz VYMMHBTVAWFHAG-HNNXBMFYSA-N -1 1 350.400 0.812 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO ZINC000855748277 671662914 /nfs/dbraw/zinc/66/29/14/671662914.db2.gz HONBEMCYDHNXRI-WPRPVWTQSA-N -1 1 354.325 0.359 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)C[C@H]21 ZINC000855959100 671672545 /nfs/dbraw/zinc/67/25/45/671672545.db2.gz UJVCJRGZTBIGMI-TUAOUCFPSA-N -1 1 369.443 0.498 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(O)CCOC1)c1ccc(Br)nc1F ZINC000859080180 671792180 /nfs/dbraw/zinc/79/21/80/671792180.db2.gz YBYTYDNDFGRYKF-JTQLQIEISA-N -1 1 355.185 0.413 10 0 FCAEMM NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859206648 671800553 /nfs/dbraw/zinc/80/05/53/671800553.db2.gz NEYLQCXIORLCLC-OLQVQODUSA-N -1 1 352.185 0.525 10 0 FCAEMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859235598 671803373 /nfs/dbraw/zinc/80/33/73/671803373.db2.gz UBZRZBLFDSZVGC-MRVPVSSYSA-N -1 1 366.212 0.882 10 0 FCAEMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000859403743 671823432 /nfs/dbraw/zinc/82/34/32/671823432.db2.gz HTHUNUXIIVPYEU-ZETCQYMHSA-N -1 1 352.210 0.531 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000860195173 671875148 /nfs/dbraw/zinc/87/51/48/671875148.db2.gz QIMCDFIKARDURN-OAHLLOKOSA-N -1 1 355.460 0.496 10 0 FCAEMM O=C(c1ccc(I)cc1[O-])N1CCNC(=O)CC1 ZINC000865154317 672229061 /nfs/dbraw/zinc/22/90/61/672229061.db2.gz OZSFYPHAIWNSJE-UHFFFAOYSA-N -1 1 360.151 0.959 10 0 FCAEMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)CC2 ZINC000866717187 672292023 /nfs/dbraw/zinc/29/20/23/672292023.db2.gz XPUVWSAGLDMGAU-MRVPVSSYSA-N -1 1 364.353 0.632 10 0 FCAEMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866736587 672294314 /nfs/dbraw/zinc/29/43/14/672294314.db2.gz ZHUWDBBBGXSSAP-DMZKTXOQSA-N -1 1 361.489 0.698 10 0 FCAEMM C[C@H]([C@H](C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)N1CCOCC1 ZINC000866741352 672295552 /nfs/dbraw/zinc/29/55/52/672295552.db2.gz DWIWWDXVAFDFMU-VHSXEESVSA-N -1 1 370.397 0.826 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c1C(F)(F)F ZINC000866775330 672303476 /nfs/dbraw/zinc/30/34/76/672303476.db2.gz AOKWKBMYDXJVNH-SSDOTTSWSA-N -1 1 361.367 0.294 10 0 FCAEMM CCN1C[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000867460689 672319607 /nfs/dbraw/zinc/31/96/07/672319607.db2.gz FLHHBEBYRKFHAE-VERVWZFWSA-N -1 1 359.473 0.846 10 0 FCAEMM COCCOCCN1CCN(S(=O)(=O)c2cc(OC)ccc2[O-])CC1 ZINC000867464553 672320415 /nfs/dbraw/zinc/32/04/15/672320415.db2.gz MMUDWWXZBYCOSO-UHFFFAOYSA-N -1 1 374.459 0.370 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000867485367 672323588 /nfs/dbraw/zinc/32/35/88/672323588.db2.gz SOYFGECVDHWOHG-RWMBFGLXSA-N -1 1 355.526 0.826 10 0 FCAEMM O=C1N(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)C[C@H]2CCCCN12 ZINC000867530425 672332374 /nfs/dbraw/zinc/33/23/74/672332374.db2.gz WFEVIUNVWLQLGC-GFCCVEGCSA-N -1 1 364.493 0.373 10 0 FCAEMM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3ccc(C(F)F)o3)COCCN12 ZINC000867790295 672367735 /nfs/dbraw/zinc/36/77/35/672367735.db2.gz SGBAFIRWGOXIHD-CYBMUJFWSA-N -1 1 366.342 0.123 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1ccc(I)cc1[O-] ZINC000867950684 672381817 /nfs/dbraw/zinc/38/18/17/672381817.db2.gz YTOOSOUZMNYCAA-LLVKDONJSA-N -1 1 351.140 0.470 10 0 FCAEMM COCC[C@@H](COC)NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868627428 672405773 /nfs/dbraw/zinc/40/57/73/672405773.db2.gz UUQZHAKCJINVLX-GWCFXTLKSA-N -1 1 355.357 0.890 10 0 FCAEMM CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869372685 672429611 /nfs/dbraw/zinc/42/96/11/672429611.db2.gz DYDXEALIYQBUOE-NSHDSACASA-N -1 1 366.336 0.814 10 0 FCAEMM CO[C@@H]1COCC[C@@H]1CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869530360 672438324 /nfs/dbraw/zinc/43/83/24/672438324.db2.gz NPHDQLSCMDXPAX-MWLCHTKSSA-N -1 1 355.309 0.609 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C\COC2CCOCC2)CCC1 ZINC000870447629 672493033 /nfs/dbraw/zinc/49/30/33/672493033.db2.gz VLNCJUCUBYSGKJ-HYXAFXHYSA-N -1 1 360.476 0.669 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1nncn1C ZINC000872006426 672593502 /nfs/dbraw/zinc/59/35/02/672593502.db2.gz GHMSHXJVMGBBCT-ZETCQYMHSA-N -1 1 352.342 0.649 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)c(=O)n(C)c1=O ZINC000800158081 673419236 /nfs/dbraw/zinc/41/92/36/673419236.db2.gz MYJKAGQRSVKLBQ-LBPRGKRZSA-N -1 1 369.830 0.183 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@H]12)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000925172808 673781843 /nfs/dbraw/zinc/78/18/43/673781843.db2.gz USANEQNLXJVFEP-JHJVBQTASA-N -1 1 366.491 0.979 10 0 FCAEMM CC(C)O[C@@]1(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCOC1 ZINC000925763669 673800140 /nfs/dbraw/zinc/80/01/40/673800140.db2.gz BPVFARILDBGVPM-CQSZACIVSA-N -1 1 367.368 0.890 10 0 FCAEMM CN1C(=O)[C@H]2CN(C(=O)NCCc3c(F)cc([O-])cc3F)C[C@H]2C1=O ZINC000927788744 673881484 /nfs/dbraw/zinc/88/14/84/673881484.db2.gz NFPJKCXUNINDOD-PHIMTYICSA-N -1 1 353.325 0.469 10 0 FCAEMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCN3CC[NH+]=C3[O-])n2)C1 ZINC000901750375 675810955 /nfs/dbraw/zinc/81/09/55/675810955.db2.gz WXGFGFWMBSUVLO-LBPRGKRZSA-N -1 1 356.452 0.297 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](C)C ZINC000902066000 675824899 /nfs/dbraw/zinc/82/48/99/675824899.db2.gz OKTTUIDATSNWMI-IVZWLZJFSA-N -1 1 353.341 0.449 10 0 FCAEMM CCOCCS(=O)(=O)[N-]Cc1nc(C2(COC)CCOCC2)no1 ZINC000349715173 1171653425 /nfs/dbraw/zinc/65/34/25/1171653425.db2.gz UARXIHKYFRQWFI-UHFFFAOYSA-N -1 1 363.436 0.220 10 0 FCAEMM O=C(NC[C@H]1CNC(=O)C1)c1ccc(I)c([O-])c1 ZINC000398317938 1188083564 /nfs/dbraw/zinc/08/35/64/1188083564.db2.gz XBNMCLABGXWXOP-SSDOTTSWSA-N -1 1 360.151 0.863 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC001687391010 1188352265 /nfs/dbraw/zinc/35/22/65/1188352265.db2.gz PEIFPASVPASTBD-ZIAGYGMSSA-N -1 1 364.402 0.344 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(Br)cn1 ZINC001648967618 1190060346 /nfs/dbraw/zinc/06/03/46/1190060346.db2.gz BMSKVCFORCMLBE-UHFFFAOYSA-N -1 1 353.176 0.401 10 0 FCAEMM O=C(CO)NCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000911195982 1195918792 /nfs/dbraw/zinc/91/87/92/1195918792.db2.gz CXQHMMXJOZEDCM-LLVKDONJSA-N -1 1 373.331 0.121 10 0 FCAEMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000760965043 1196560346 /nfs/dbraw/zinc/56/03/46/1196560346.db2.gz LRNFSBAVALIBCM-ZDUSSCGKSA-N -1 1 365.430 0.897 10 0 FCAEMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CN1CCOCC1=O ZINC000806019649 1201595236 /nfs/dbraw/zinc/59/52/36/1201595236.db2.gz MANIPTMCYUQSID-UHFFFAOYSA-N -1 1 372.381 0.497 10 0 FCAEMM CC[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1c(C)nn(C)c1C ZINC000806918588 1202788281 /nfs/dbraw/zinc/78/82/81/1202788281.db2.gz DWQIMOBULCMXKL-ZDUSSCGKSA-N -1 1 369.429 0.898 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)ccnc1-2 ZINC000806948143 1202799440 /nfs/dbraw/zinc/79/94/40/1202799440.db2.gz XBKHLMGUCNBKGG-STQMWFEESA-N -1 1 357.414 0.555 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3COc4ccc(F)cc4C3)ccnc1-2 ZINC000808968456 1202907393 /nfs/dbraw/zinc/90/73/93/1202907393.db2.gz MMUITMFSZLQQFT-GFCCVEGCSA-N -1 1 369.356 0.539 10 0 FCAEMM CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC001136656331 1203245529 /nfs/dbraw/zinc/24/55/29/1203245529.db2.gz BUUVIULRROXHEQ-HTAVTVPLSA-N -1 1 366.422 0.793 10 0 FCAEMM COC(=O)c1cccc2c1CN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2 ZINC000844052358 1203332277 /nfs/dbraw/zinc/33/22/77/1203332277.db2.gz REWMYZKXULOBLZ-UHFFFAOYSA-N -1 1 357.366 0.298 10 0 FCAEMM C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2N1 ZINC001144255453 1204444606 /nfs/dbraw/zinc/44/46/06/1204444606.db2.gz YJNUTPLLJUTYKE-SZEHBUNVSA-N -1 1 368.348 0.620 10 0 FCAEMM C[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001174931709 1206296898 /nfs/dbraw/zinc/29/68/98/1206296898.db2.gz UZYQTYDBQIRYOR-RAIGVLPGSA-N -1 1 360.418 0.469 10 0 FCAEMM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001174940353 1206297431 /nfs/dbraw/zinc/29/74/31/1206297431.db2.gz DRYHPFOJLMSIJO-AWEZNQCLSA-N -1 1 368.397 0.425 10 0 FCAEMM CC1=C(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C)n2ncnc2N1C ZINC001175215364 1206301953 /nfs/dbraw/zinc/30/19/53/1206301953.db2.gz ZVSJJRIHKNSYMA-SNVBAGLBSA-N -1 1 371.401 0.448 10 0 FCAEMM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CN4CCN3CCC4)cc2[n-]c1=S ZINC000773535617 1206309107 /nfs/dbraw/zinc/30/91/07/1206309107.db2.gz VDOCPIPUMHOBTB-ZDUSSCGKSA-N -1 1 373.482 0.342 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC001176593199 1206315168 /nfs/dbraw/zinc/31/51/68/1206315168.db2.gz DOHDTCNFGCXSJD-GFCCVEGCSA-N -1 1 358.402 0.998 10 0 FCAEMM CN(CCOCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)c1ncccc1[O-] ZINC001487592199 1208384276 /nfs/dbraw/zinc/38/42/76/1208384276.db2.gz ZRJFKZVUAWJMLX-NFAWXSAZSA-N -1 1 363.414 0.560 10 0 FCAEMM CSCCC(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001489581413 1208991742 /nfs/dbraw/zinc/99/17/42/1208991742.db2.gz GNZZZZWKNQZUBX-NEPJUHHUSA-N -1 1 366.443 0.114 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001489687994 1209087971 /nfs/dbraw/zinc/08/79/71/1209087971.db2.gz NVMQTBNEWNGFAD-YBFMDPQVSA-N -1 1 362.430 0.437 10 0 FCAEMM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001489983080 1209195627 /nfs/dbraw/zinc/19/56/27/1209195627.db2.gz BKEDCCKJWLYENH-GMXVVIOVSA-N -1 1 360.418 0.573 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COC[C@H]1CCOC1 ZINC001490087546 1209248889 /nfs/dbraw/zinc/24/88/89/1209248889.db2.gz IEUWWLSXJOXGQN-RDBSUJKOSA-N -1 1 363.414 0.560 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC(c4ccon4)CC3)ccnc1-2 ZINC000850697645 1209483814 /nfs/dbraw/zinc/48/38/14/1209483814.db2.gz TXQBLHNNAKXMBC-UHFFFAOYSA-N -1 1 354.370 0.675 10 0 FCAEMM NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852735844 1209561217 /nfs/dbraw/zinc/56/12/17/1209561217.db2.gz JZZNMMKMMQOCBD-NEPJUHHUSA-N -1 1 373.331 0.882 10 0 FCAEMM Cn1[n-]c(CN2CCC(c3nccc(N4CCOCC4)n3)CC2)nc1=O ZINC000854105096 1209616177 /nfs/dbraw/zinc/61/61/77/1209616177.db2.gz MYWHPBXUYQLOFI-UHFFFAOYSA-N -1 1 359.434 0.115 10 0 FCAEMM CCOC(=O)[C@]1(F)CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC12CCC2 ZINC000855246934 1209663625 /nfs/dbraw/zinc/66/36/25/1209663625.db2.gz XGHDUKKSDWWGSP-QGZVFWFLSA-N -1 1 367.377 0.211 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858073883 1209774703 /nfs/dbraw/zinc/77/47/03/1209774703.db2.gz DSTGIIHLWKCVDJ-OAHLLOKOSA-N -1 1 370.409 0.879 10 0 FCAEMM O=C(NC1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1)OCc1ccccc1 ZINC000859279099 1209815267 /nfs/dbraw/zinc/81/52/67/1209815267.db2.gz YNFKNRCBSBKUGT-CYBMUJFWSA-N -1 1 372.385 0.559 10 0 FCAEMM C[C@@H](CN(C)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1nn[n-]n1 ZINC000860785627 1209855560 /nfs/dbraw/zinc/85/55/60/1209855560.db2.gz DMTPMUORKQNQIL-LBPRGKRZSA-N -1 1 374.401 0.145 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000862102342 1209896511 /nfs/dbraw/zinc/89/65/11/1209896511.db2.gz HQZTXQKSCLZAMV-UHFFFAOYSA-N -1 1 363.370 0.685 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)OC(C)(C)C ZINC000863719177 1209948479 /nfs/dbraw/zinc/94/84/79/1209948479.db2.gz BBZFSZVHXZGUOA-NEPJUHHUSA-N -1 1 366.418 0.441 10 0 FCAEMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(CC(=O)N2CCCC2)no1 ZINC000350719062 1211328951 /nfs/dbraw/zinc/32/89/51/1211328951.db2.gz GKZZVEHLEADGPO-UHFFFAOYSA-N -1 1 360.436 0.079 10 0 FCAEMM CN(C)C(=O)CN1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927786480 1211581127 /nfs/dbraw/zinc/58/11/27/1211581127.db2.gz VDKNKMOMGARRKE-UHFFFAOYSA-N -1 1 370.400 0.628 10 0 FCAEMM C[C@@H](CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000929283181 1211627507 /nfs/dbraw/zinc/62/75/07/1211627507.db2.gz OSMIELPYDYFILB-HNNXBMFYSA-N -1 1 373.453 0.978 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000930524078 1211712390 /nfs/dbraw/zinc/71/23/90/1211712390.db2.gz XXDWDBGKTYKCHA-SNVBAGLBSA-N -1 1 364.352 0.657 10 0 FCAEMM CSc1ncc(C(=O)NCCNS(=O)(=O)c2ccccc2)c(=O)[n-]1 ZINC001626150063 1213901730 /nfs/dbraw/zinc/90/17/30/1213901730.db2.gz DBSVXNRFUWDWDX-UHFFFAOYSA-N -1 1 368.440 0.612 10 0 FCAEMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351374131 1214762228 /nfs/dbraw/zinc/76/22/28/1214762228.db2.gz VAWLIYBMNYXCMC-UHFFFAOYSA-N -1 1 370.435 0.122 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000755513298 1220140811 /nfs/dbraw/zinc/14/08/11/1220140811.db2.gz GNQJXVZDCRBXHK-LLVKDONJSA-N -1 1 364.352 0.600 10 0 FCAEMM C[C@]1(c2cccc(CNC(=O)C(=O)c3ccc([O-])cc3)c2)NC(=O)NC1=O ZINC001117407323 1221541158 /nfs/dbraw/zinc/54/11/58/1221541158.db2.gz JCXDCHJEMAMMQY-LJQANCHMSA-N -1 1 367.361 0.946 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)nc2n1 ZINC001118783539 1221829405 /nfs/dbraw/zinc/82/94/05/1221829405.db2.gz DIMIRAHCIJUJOM-UHFFFAOYSA-N -1 1 358.362 0.185 10 0 FCAEMM CCON1CCC(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001119581241 1221936427 /nfs/dbraw/zinc/93/64/27/1221936427.db2.gz AGLZGXFKMIJMOE-SFHVURJKSA-N -1 1 369.462 0.428 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C)CC1 ZINC001119642236 1221944244 /nfs/dbraw/zinc/94/42/44/1221944244.db2.gz SOANJKIZFJRTAM-ZDUSSCGKSA-N -1 1 364.446 0.897 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC001119644516 1221944492 /nfs/dbraw/zinc/94/44/92/1221944492.db2.gz ZHYQJLYPVOEIIJ-JKSUJKDBSA-N -1 1 368.478 0.288 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001138058370 1222476691 /nfs/dbraw/zinc/47/66/91/1222476691.db2.gz XGNNYKGMVMSQEZ-GDLVEWKHSA-N -1 1 368.438 0.522 10 0 FCAEMM Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1OC(F)(F)F ZINC001138986716 1222533505 /nfs/dbraw/zinc/53/35/05/1222533505.db2.gz FZJFVCJFPAKGFX-UHFFFAOYSA-N -1 1 372.307 0.804 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000833000728 1222547527 /nfs/dbraw/zinc/54/75/27/1222547527.db2.gz XCPWPPGPAKXLEE-CYBMUJFWSA-N -1 1 373.413 0.895 10 0 FCAEMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000921927101 1245655941 /nfs/dbraw/zinc/65/59/41/1245655941.db2.gz HFRUUKNSBQVMBB-JKSUJKDBSA-N -1 1 372.425 0.945 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000922455066 1245678517 /nfs/dbraw/zinc/67/85/17/1245678517.db2.gz BRUIPEKUEFNERC-SJCJKPOMSA-N -1 1 357.414 0.721 10 0 FCAEMM CC(C)(F)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001515103546 1265428856 /nfs/dbraw/zinc/42/88/56/1265428856.db2.gz JGXWTDDNYUNGEA-NWDGAFQWSA-N -1 1 368.409 0.076 10 0 FCAEMM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001328445147 1265551361 /nfs/dbraw/zinc/55/13/61/1265551361.db2.gz NZDITRZZGQAJHB-LBPRGKRZSA-N -1 1 373.409 0.460 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3C[C@@H]4COC(=O)[C@@H]4C3)c(=O)c2c(OC)c1 ZINC001329161689 1265704565 /nfs/dbraw/zinc/70/45/65/1265704565.db2.gz ADQFZWIILURKSQ-BXKDBHETSA-N -1 1 358.350 0.790 10 0 FCAEMM O=C1CC[C@H]2CN(c3nnc(-c4nc(Cl)n[n-]4)n3CC3CC3)CCN12 ZINC001519586114 1265735589 /nfs/dbraw/zinc/73/55/89/1265735589.db2.gz COGHRALHZAJRPX-JTQLQIEISA-N -1 1 362.825 0.938 10 0 FCAEMM Cc1cnn(-c2c(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)c(C)nn2C)c1 ZINC001329643272 1265797105 /nfs/dbraw/zinc/79/71/05/1265797105.db2.gz SEUFZFPFOYQNNI-UHFFFAOYSA-N -1 1 367.373 0.514 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H]1CCCN1CC(F)F ZINC001329959720 1265908752 /nfs/dbraw/zinc/90/87/52/1265908752.db2.gz CXUJCVOBZXYJKI-JTQLQIEISA-N -1 1 371.388 0.784 10 0 FCAEMM O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001520594490 1265944074 /nfs/dbraw/zinc/94/40/74/1265944074.db2.gz PFTVZOPHOOFTNL-DLBZAZTESA-N -1 1 370.457 0.882 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001520654053 1265958831 /nfs/dbraw/zinc/95/88/31/1265958831.db2.gz DHDZXSGVPAKKPY-MCIONIFRSA-N -1 1 364.446 0.469 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3(S(=O)(=O)c4ccccc4)CC3)nc2n1 ZINC001331197684 1266168860 /nfs/dbraw/zinc/16/88/60/1266168860.db2.gz SQKYQQMUPLQXGU-UHFFFAOYSA-N -1 1 373.394 0.671 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001521893698 1266203373 /nfs/dbraw/zinc/20/33/73/1266203373.db2.gz FZCMREVIYLDGAH-BNOWGMLFSA-N -1 1 362.430 0.526 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCNC(=O)CC3)c(=O)c2c(OC)c1 ZINC001335295716 1259592344 /nfs/dbraw/zinc/59/23/44/1259592344.db2.gz KKKKCEOLEJYFBS-JTQLQIEISA-N -1 1 359.382 0.944 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CC2(C1)C[C@H](O)CNC2=O ZINC001522115365 1266349997 /nfs/dbraw/zinc/34/99/97/1266349997.db2.gz IXFNADXEIJQUQV-VIFPVBQESA-N -1 1 355.188 0.478 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001282180456 1261372495 /nfs/dbraw/zinc/37/24/95/1261372495.db2.gz ZJIWVVDWRZLGIU-XNRPHZJLSA-N -1 1 365.430 0.397 10 0 FCAEMM COCCCC(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001282326244 1261413109 /nfs/dbraw/zinc/41/31/09/1261413109.db2.gz KKGWVQWKGYDCRU-ZJUUUORDSA-N -1 1 368.390 0.042 10 0 FCAEMM CC/C=C(\C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001282327181 1261413228 /nfs/dbraw/zinc/41/32/28/1261413228.db2.gz MGANJIBACXPREL-KYYFYTAESA-N -1 1 362.430 0.389 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cccc(-n3cnnn3)c2)[n-]c1=O ZINC001472021885 1261425757 /nfs/dbraw/zinc/42/57/57/1261425757.db2.gz LKEUXTUSRLOTFT-UHFFFAOYSA-N -1 1 355.358 0.832 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)CCCF)[C@H](C)C1 ZINC001282502679 1261491920 /nfs/dbraw/zinc/49/19/20/1261491920.db2.gz SPNVJZVDROAFBH-NXEZZACHSA-N -1 1 370.381 0.470 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001282626658 1261556885 /nfs/dbraw/zinc/55/68/85/1261556885.db2.gz HWYWBENFMYUDIS-BSPAEGICSA-N -1 1 374.441 0.531 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCF ZINC001282764049 1261618068 /nfs/dbraw/zinc/61/80/68/1261618068.db2.gz LEXWYSTZZYRVGS-BBBLOLIVSA-N -1 1 368.365 0.508 10 0 FCAEMM Cc1cc(C(=O)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)c(C)o1 ZINC001345312733 1261670108 /nfs/dbraw/zinc/67/01/08/1261670108.db2.gz XWFZLZLOODOEJD-UHFFFAOYSA-N -1 1 357.378 0.167 10 0 FCAEMM Cc1cc(C(=O)N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)c(C)o1 ZINC001345312733 1261670112 /nfs/dbraw/zinc/67/01/12/1261670112.db2.gz XWFZLZLOODOEJD-UHFFFAOYSA-N -1 1 357.378 0.167 10 0 FCAEMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001285219829 1261820490 /nfs/dbraw/zinc/82/04/90/1261820490.db2.gz AWYILTPATIXUCP-YNEHKIRRSA-N -1 1 357.414 0.807 10 0 FCAEMM CN(C[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)c1ncccc1[O-] ZINC001288073413 1261993469 /nfs/dbraw/zinc/99/34/69/1261993469.db2.gz LOFRDIFIFSQITI-IOASZLSFSA-N -1 1 363.414 0.151 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[n-]1 ZINC001288774888 1262033001 /nfs/dbraw/zinc/03/30/01/1262033001.db2.gz RGVWDIYYPRHRRL-PHIMTYICSA-N -1 1 373.365 0.894 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CNC(=O)C(C)(C)C ZINC001289295671 1262164493 /nfs/dbraw/zinc/16/44/93/1262164493.db2.gz XIIFBFVCJWCLDE-VXGBXAGGSA-N -1 1 362.430 0.526 10 0 FCAEMM CCO[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001290250686 1262410947 /nfs/dbraw/zinc/41/09/47/1262410947.db2.gz BPEAVCHRWYGXPT-GZBFAFLISA-N -1 1 365.430 0.663 10 0 FCAEMM C[C@@H]1CCN(C(=O)C2CC2)[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001290273703 1262419471 /nfs/dbraw/zinc/41/94/71/1262419471.db2.gz FLKFVKDZMCRCSQ-OCCSQVGLSA-N -1 1 362.430 0.080 10 0 FCAEMM Cc1cc(OCC(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)no1 ZINC001290650417 1262485977 /nfs/dbraw/zinc/48/59/77/1262485977.db2.gz KEYBQJTVLYSCMX-NEPJUHHUSA-N -1 1 360.370 0.882 10 0 FCAEMM COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cnncc3[O-])CC2)c1 ZINC001290757231 1262506146 /nfs/dbraw/zinc/50/61/46/1262506146.db2.gz FOMHFAJYKHAFHI-UHFFFAOYSA-N -1 1 372.381 0.798 10 0 FCAEMM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001290864111 1262522847 /nfs/dbraw/zinc/52/28/47/1262522847.db2.gz IEFFJTVOSDUOBT-VXGBXAGGSA-N -1 1 360.418 0.288 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC001291605544 1262565738 /nfs/dbraw/zinc/56/57/38/1262565738.db2.gz RSWDDLQWLJOJAN-UHFFFAOYSA-N -1 1 359.382 0.076 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)n1 ZINC001297259936 1262857592 /nfs/dbraw/zinc/85/75/92/1262857592.db2.gz HPKBJOIFYCNNLM-CMDGGOBGSA-N -1 1 371.397 0.909 10 0 FCAEMM Cn1cc(-c2nn(C)cc2NC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC001297489141 1262872444 /nfs/dbraw/zinc/87/24/44/1262872444.db2.gz IXQAUMMBHACUDK-UHFFFAOYSA-N -1 1 355.358 0.290 10 0 FCAEMM COc1cc2nc(C(=O)NCc3ccc([O-])nn3)c(=O)n(C)c2cc1OC ZINC001298300125 1262923212 /nfs/dbraw/zinc/92/32/12/1262923212.db2.gz NZZPOGXUCUDPJB-UHFFFAOYSA-N -1 1 371.353 0.376 10 0 FCAEMM C[C@]1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001299707914 1262976994 /nfs/dbraw/zinc/97/69/94/1262976994.db2.gz QOKOXLCVGXNDLB-FTLABTOESA-N -1 1 360.414 0.267 10 0 FCAEMM CCOC(=O)C1=CC[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001478972269 1263157106 /nfs/dbraw/zinc/15/71/06/1263157106.db2.gz ABEHWXIAIIKNNO-NSHDSACASA-N -1 1 362.386 0.706 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC2(CNC(=O)C2)CC1 ZINC001479155948 1263173236 /nfs/dbraw/zinc/17/32/36/1263173236.db2.gz FLCYPTDDOHCQMH-UHFFFAOYSA-N -1 1 361.402 0.067 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@]1(O)CCc2ccccc21 ZINC001479158700 1263173662 /nfs/dbraw/zinc/17/36/62/1263173662.db2.gz UOKIKSBTIQXPTO-IBGZPJMESA-N -1 1 370.409 0.888 10 0 FCAEMM CC/C(C)=C\C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316668719 1263410151 /nfs/dbraw/zinc/41/01/51/1263410151.db2.gz AHAIMLFFZHAQAG-HSUQRAOQSA-N -1 1 359.434 0.684 10 0 FCAEMM O=C(CCc1nc(-c2ccncc2)no1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001318396223 1263568737 /nfs/dbraw/zinc/56/87/37/1263568737.db2.gz RKCPQMZEXBBTCZ-LLVKDONJSA-N -1 1 356.346 0.177 10 0 FCAEMM Cc1occc1C(=O)NC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001318444830 1263573767 /nfs/dbraw/zinc/57/37/67/1263573767.db2.gz YQGVUJIVTYSAHT-UHFFFAOYSA-N -1 1 374.397 0.249 10 0 FCAEMM O=C(NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ncccc1[O-] ZINC001506815777 1264343019 /nfs/dbraw/zinc/34/30/19/1264343019.db2.gz SMGJYLHZBBNWPE-SEDUGSJDSA-N -1 1 371.397 0.007 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001508972624 1264429728 /nfs/dbraw/zinc/42/97/28/1264429728.db2.gz PRLSVDBFBFAYIU-OPRDCNLKSA-N -1 1 352.391 0.519 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)c2ncccc2[O-])C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001509182713 1264443699 /nfs/dbraw/zinc/44/36/99/1264443699.db2.gz FTSMZOSGJAKZQG-VXGBXAGGSA-N -1 1 371.397 0.007 10 0 FCAEMM O=C(N[C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cnc(C2CC2)[n-]c1=O ZINC001511052047 1264536383 /nfs/dbraw/zinc/53/63/83/1264536383.db2.gz DFWQASPLQROVKC-FTLABTOESA-N -1 1 360.414 0.457 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cn(Cc4ccccc4)nn3)nc2n1 ZINC001324070506 1264571837 /nfs/dbraw/zinc/57/18/37/1264571837.db2.gz XDKBZOZGCORUQW-UHFFFAOYSA-N -1 1 350.342 0.618 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3CCN(C(=O)N4CCCC4)CC3)nc2n1 ZINC001324295196 1264612777 /nfs/dbraw/zinc/61/27/77/1264612777.db2.gz OAESLEUIHVHXPW-UHFFFAOYSA-N -1 1 373.417 0.592 10 0 FCAEMM CCCNC(=O)CCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001513258809 1265001455 /nfs/dbraw/zinc/00/14/55/1265001455.db2.gz WVPIQOLHABEHRZ-CHWSQXEVSA-N -1 1 362.430 0.670 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001522349592 1266505692 /nfs/dbraw/zinc/50/56/92/1266505692.db2.gz XZBMRFBHBBTAML-RQJABVFESA-N -1 1 360.414 0.564 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]4CC[C@@H](C3)S4(=O)=O)nc2n1 ZINC001533839329 1267242016 /nfs/dbraw/zinc/24/20/16/1267242016.db2.gz OBYXEUINPJEGOE-UIKWRGBMSA-N -1 1 365.415 0.274 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@]3(CC(C)C)CCNC3=O)nc2n1 ZINC001534155317 1267250571 /nfs/dbraw/zinc/25/05/71/1267250571.db2.gz YYEWAZRFYFVLOX-QGZVFWFLSA-N -1 1 360.418 0.861 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cn2nnc3ccccc3c2=O)[n-]1 ZINC001537610158 1267375844 /nfs/dbraw/zinc/37/58/44/1267375844.db2.gz ULYFRMDNMHFJTN-UHFFFAOYSA-N -1 1 369.337 0.748 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[n-]c1Cl ZINC001538194267 1267396284 /nfs/dbraw/zinc/39/62/84/1267396284.db2.gz DUZOIJWATWGHLO-ZETCQYMHSA-N -1 1 366.827 0.752 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCO[C@H]2CCOC2)o1 ZINC001538487637 1267406004 /nfs/dbraw/zinc/40/60/04/1267406004.db2.gz FOVQFRTYUUEELS-NSHDSACASA-N -1 1 360.432 0.892 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2O1 ZINC001540689504 1267459297 /nfs/dbraw/zinc/45/92/97/1267459297.db2.gz NRFNZXGOVPPOAX-AWEZNQCLSA-N -1 1 371.349 0.484 10 0 FCAEMM CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1nn[n-]n1 ZINC001543187193 1267530473 /nfs/dbraw/zinc/53/04/73/1267530473.db2.gz SESFETFRKKNRFS-UHFFFAOYSA-N -1 1 367.207 0.992 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001543779611 1267560993 /nfs/dbraw/zinc/56/09/93/1267560993.db2.gz RAKHCGHFEILFAL-UHFFFAOYSA-N -1 1 362.411 0.719 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001546094743 1267635083 /nfs/dbraw/zinc/63/50/83/1267635083.db2.gz WXRTYLIBKLFCOW-UHFFFAOYSA-N -1 1 360.374 0.266 10 0 FCAEMM CC(=O)NCC(C)(C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546114283 1267636788 /nfs/dbraw/zinc/63/67/88/1267636788.db2.gz CMGSXXUNHYNNQB-UHFFFAOYSA-N -1 1 369.443 0.934 10 0 FCAEMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001546154578 1267637184 /nfs/dbraw/zinc/63/71/84/1267637184.db2.gz DNUWMWAEMPOCAT-UHFFFAOYSA-N -1 1 366.374 0.872 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001340195840 1268467409 /nfs/dbraw/zinc/46/74/09/1268467409.db2.gz YKZFCRDIFRAUBY-OKILXGFUSA-N -1 1 358.398 0.439 10 0 FCAEMM O=C(c1ncccc1-c1ccccn1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348218 1268846728 /nfs/dbraw/zinc/84/67/28/1268846728.db2.gz BOTLZTBECOXPFC-UHFFFAOYSA-N -1 1 351.370 0.781 10 0 FCAEMM CCC(CC)(NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1nn[n-]n1 ZINC001556494818 1268860138 /nfs/dbraw/zinc/86/01/38/1268860138.db2.gz GIYJQSOLFFNBKB-ZDUSSCGKSA-N -1 1 370.413 0.850 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](O)c2ccccc2OC)c1 ZINC001556891239 1268903325 /nfs/dbraw/zinc/90/33/25/1268903325.db2.gz KKUXSECAIQNIKM-OAHLLOKOSA-N -1 1 366.395 0.981 10 0 FCAEMM O=C(CN1C(=O)CCc2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048694 1269013217 /nfs/dbraw/zinc/01/32/17/1269013217.db2.gz KOPUJWBSZKZKCK-UHFFFAOYSA-N -1 1 368.393 0.851 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001558163105 1269037543 /nfs/dbraw/zinc/03/75/43/1269037543.db2.gz DJXXCDURWRECRW-SFHVURJKSA-N -1 1 372.429 0.591 10 0 FCAEMM Cc1ccc(-c2nnn(CC(=O)N(Cc3nn[n-]n3)CC(C)C)n2)cc1 ZINC001558161597 1269037993 /nfs/dbraw/zinc/03/79/93/1269037993.db2.gz CBLKPXSEWGELRS-UHFFFAOYSA-N -1 1 355.406 0.846 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC001558162904 1269038495 /nfs/dbraw/zinc/03/84/95/1269038495.db2.gz WMWXNWOGSWQEGR-UHFFFAOYSA-N -1 1 355.424 0.077 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC2(c3nn[n-]n3)CCC2)C1 ZINC001558173278 1269045068 /nfs/dbraw/zinc/04/50/68/1269045068.db2.gz JKVIZYNYVIUNBJ-HNNXBMFYSA-N -1 1 366.422 0.457 10 0 FCAEMM COC[C@@H](NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001558339667 1269067081 /nfs/dbraw/zinc/06/70/81/1269067081.db2.gz JNUWKMFYFMOWLY-WDEREUQCSA-N -1 1 354.411 0.697 10 0 FCAEMM CC(C)N(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001558577495 1269115759 /nfs/dbraw/zinc/11/57/59/1269115759.db2.gz OYVPOMFKVVAKEE-UHFFFAOYSA-N -1 1 367.435 0.290 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCC1(OCCO)CCC(C(F)F)CC1 ZINC001558610618 1269122832 /nfs/dbraw/zinc/12/28/32/1269122832.db2.gz QBEIKQHKURGSQW-UHFFFAOYSA-N -1 1 361.393 0.842 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001341708216 1269162800 /nfs/dbraw/zinc/16/28/00/1269162800.db2.gz OQEWBISCTOZBTN-LCCOTDHMSA-N -1 1 366.364 0.869 10 0 FCAEMM CCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001342114297 1269354465 /nfs/dbraw/zinc/35/44/65/1269354465.db2.gz CMROMUHFXYFDJR-VXGBXAGGSA-N -1 1 369.443 0.189 10 0 FCAEMM CN(C)[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cncn1C ZINC001566778159 1269663880 /nfs/dbraw/zinc/66/38/80/1269663880.db2.gz WBGSCGZSDBOKNS-ZDUSSCGKSA-N -1 1 353.404 0.015 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001567016525 1269674782 /nfs/dbraw/zinc/67/47/82/1269674782.db2.gz HJILJSCAOZZOQA-BPLDGKMQSA-N -1 1 359.430 0.925 10 0 FCAEMM CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001573198065 1270660189 /nfs/dbraw/zinc/66/01/89/1270660189.db2.gz LVEKZEDNMUJGSE-QWHCGFSZSA-N -1 1 364.446 0.374 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCOC2)CCN1C(=O)c1ncccc1[O-] ZINC001573268831 1270722453 /nfs/dbraw/zinc/72/24/53/1270722453.db2.gz SMPCDMIQZMGOGO-HZSPNIEDSA-N -1 1 363.414 0.702 10 0 FCAEMM COCCOCC(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001573346804 1270757197 /nfs/dbraw/zinc/75/71/97/1270757197.db2.gz SRQZJBJHGIMDCM-KGLIPLIRSA-N -1 1 363.414 0.371 10 0 FCAEMM CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001573969849 1270964741 /nfs/dbraw/zinc/96/47/41/1270964741.db2.gz KKIBFTLVQHOYPY-CHWSQXEVSA-N -1 1 362.430 0.528 10 0 FCAEMM COCCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001574438757 1271276809 /nfs/dbraw/zinc/27/68/09/1271276809.db2.gz PEGWEAGMEUGHEZ-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001713732425 1287292612 /nfs/dbraw/zinc/29/26/12/1287292612.db2.gz FYATUSRNEQTICI-VHDGCEQUSA-N -1 1 363.462 0.901 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001580928096 1279142334 /nfs/dbraw/zinc/14/23/34/1279142334.db2.gz SHTVVRPRQYHSLK-GHMZBOCLSA-N -1 1 360.418 0.288 10 0 FCAEMM CC(C)N(CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Cc1n[nH]c(=O)[n-]1 ZINC001714824624 1287335273 /nfs/dbraw/zinc/33/52/73/1287335273.db2.gz KYAMFOAUZNYWOX-KCQAQPDRSA-N -1 1 367.450 0.279 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001716908270 1287395079 /nfs/dbraw/zinc/39/50/79/1287395079.db2.gz YFFJCWSXEAMCOT-CHWSQXEVSA-N -1 1 351.451 0.948 10 0 FCAEMM CCN(CC)Cc1nc(C2(NC(=O)CCc3nn[n-]n3)CCCC2)no1 ZINC001583551556 1282098822 /nfs/dbraw/zinc/09/88/22/1282098822.db2.gz XQSCVUZLRNFDCA-UHFFFAOYSA-N -1 1 362.438 0.943 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CN2CCc3ccccc3C2=O)n[n-]1 ZINC001584176637 1282141269 /nfs/dbraw/zinc/14/12/69/1282141269.db2.gz RUBWYBHKQVLGAG-NSHDSACASA-N -1 1 371.397 0.857 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CN2CCc3ccccc3C2=O)[n-]1 ZINC001584176637 1282141272 /nfs/dbraw/zinc/14/12/72/1282141272.db2.gz RUBWYBHKQVLGAG-NSHDSACASA-N -1 1 371.397 0.857 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN2CCc3ccccc3C2=O)n1 ZINC001584176637 1282141273 /nfs/dbraw/zinc/14/12/73/1282141273.db2.gz RUBWYBHKQVLGAG-NSHDSACASA-N -1 1 371.397 0.857 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H](CO)c3nncn3C)c(=O)c2c(OC)c1 ZINC001585241680 1282216864 /nfs/dbraw/zinc/21/68/64/1282216864.db2.gz HQZQTWHABICLSC-LBPRGKRZSA-N -1 1 373.369 0.137 10 0 FCAEMM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001632980847 1282221636 /nfs/dbraw/zinc/22/16/36/1282221636.db2.gz ZQMBLDBWRNTBHI-CYBMUJFWSA-N -1 1 367.421 0.830 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001633407399 1282243539 /nfs/dbraw/zinc/24/35/39/1282243539.db2.gz WJQKATFDRJBFTP-JTQLQIEISA-N -1 1 350.404 0.345 10 0 FCAEMM Cc1cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)ccc1S(N)(=O)=O ZINC001633520592 1282250113 /nfs/dbraw/zinc/25/01/13/1282250113.db2.gz BEOCMPNENQSIJA-UHFFFAOYSA-N -1 1 352.420 0.454 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CS(=O)(=O)C1 ZINC001633626120 1282259851 /nfs/dbraw/zinc/25/98/51/1282259851.db2.gz KEEBYUVCHXEBRR-JTQLQIEISA-N -1 1 359.770 0.242 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)O1 ZINC001633714889 1282269224 /nfs/dbraw/zinc/26/92/24/1282269224.db2.gz DILHVDXAJLGHBN-GRYCIOLGSA-N -1 1 353.375 0.982 10 0 FCAEMM COC(=O)COc1ccc(N(C)C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001633865132 1282279898 /nfs/dbraw/zinc/27/98/98/1282279898.db2.gz ZKJYDYDLPLDROH-UHFFFAOYSA-N -1 1 373.365 0.732 10 0 FCAEMM CCn1ncnc1-c1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001633895425 1282282306 /nfs/dbraw/zinc/28/23/06/1282282306.db2.gz CUZCPJUFOBKJOP-UHFFFAOYSA-N -1 1 368.401 0.602 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001586806363 1282314302 /nfs/dbraw/zinc/31/43/02/1282314302.db2.gz UWZJCXHDUSOTBD-LBPRGKRZSA-N -1 1 356.342 0.067 10 0 FCAEMM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1c([O-])cccc1Cl ZINC001587010998 1282324547 /nfs/dbraw/zinc/32/45/47/1282324547.db2.gz MHCHOVHWRKKICF-VIFPVBQESA-N -1 1 361.803 0.848 10 0 FCAEMM CSc1ncc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(=O)[n-]1 ZINC001587723129 1282376050 /nfs/dbraw/zinc/37/60/50/1282376050.db2.gz DUMHBTRFGWOHOU-SNVBAGLBSA-N -1 1 365.459 0.329 10 0 FCAEMM CCC(CC)N1C[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001588027963 1282398323 /nfs/dbraw/zinc/39/83/23/1282398323.db2.gz OFRCOKSHSXKPIV-NSHDSACASA-N -1 1 362.430 0.908 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2NC(=O)CO3)co1 ZINC001588160335 1282405708 /nfs/dbraw/zinc/40/57/08/1282405708.db2.gz SOMRADYUSLDPFM-UHFFFAOYSA-N -1 1 351.340 0.771 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(Cn2ccnn2)c1 ZINC001636327338 1282486963 /nfs/dbraw/zinc/48/69/63/1282486963.db2.gz OULNTWDCLQJXRD-UHFFFAOYSA-N -1 1 366.381 0.825 10 0 FCAEMM COC(=O)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(C)c1 ZINC001636346665 1282489738 /nfs/dbraw/zinc/48/97/38/1282489738.db2.gz MZPHMNGNAUULTM-CQSZACIVSA-N -1 1 359.382 0.656 10 0 FCAEMM CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC001636477846 1282506456 /nfs/dbraw/zinc/50/64/56/1282506456.db2.gz RGUJTAHUDVBPMP-QMMMGPOBSA-N -1 1 352.206 0.290 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001637058518 1282556167 /nfs/dbraw/zinc/55/61/67/1282556167.db2.gz VCUXMORRHDJJKB-CVEARBPZSA-N -1 1 373.417 0.178 10 0 FCAEMM CNC(=O)[C@H](CNC(=O)CCCc1nn[n-]n1)Cc1ccc(F)cc1C ZINC001638952542 1282736291 /nfs/dbraw/zinc/73/62/91/1282736291.db2.gz NTMOCZWZXXQIFW-ZDUSSCGKSA-N -1 1 362.409 0.691 10 0 FCAEMM COCCOCCc1nc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c[nH]1 ZINC001639297907 1282768869 /nfs/dbraw/zinc/76/88/69/1282768869.db2.gz GRPQJIYTWGWWPK-NSHDSACASA-N -1 1 365.390 0.724 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC3(CC3)C2)o1 ZINC001639352816 1282774179 /nfs/dbraw/zinc/77/41/79/1282774179.db2.gz NNLODUIREPDNGQ-JTQLQIEISA-N -1 1 355.416 0.496 10 0 FCAEMM CC(=O)NC(=Cc1ccccc1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001639431792 1282787588 /nfs/dbraw/zinc/78/75/88/1282787588.db2.gz DCTJADAWFNPKKF-KAMYIIQDSA-N -1 1 356.386 0.187 10 0 FCAEMM CO[N-]C(=O)CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC001639797477 1282815267 /nfs/dbraw/zinc/81/52/67/1282815267.db2.gz KKDBIUOSBXZOAF-UHFFFAOYSA-N -1 1 354.160 0.698 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[n-]c1=O ZINC001640131988 1282841038 /nfs/dbraw/zinc/84/10/38/1282841038.db2.gz DKTRFZQTHZCAHW-NXEZZACHSA-N -1 1 360.374 0.414 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2nnn3cc(C)[nH]c(=O)c23)[n-]c1=O ZINC001640132483 1282841663 /nfs/dbraw/zinc/84/16/63/1282841663.db2.gz PGYDAIVYAWVUBP-VIFPVBQESA-N -1 1 371.357 0.620 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCN2CCNC2=S)c(=O)[n-]1 ZINC001641032240 1282918857 /nfs/dbraw/zinc/91/88/57/1282918857.db2.gz DPKHXZJBMVPMNQ-UHFFFAOYSA-N -1 1 355.489 0.451 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493248 1282956822 /nfs/dbraw/zinc/95/68/22/1282956822.db2.gz JGKXXFWKVXWTKS-ITMYJUKJSA-N -1 1 367.431 0.230 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001641602199 1282965173 /nfs/dbraw/zinc/96/51/73/1282965173.db2.gz RDUYQNMPHNSMGT-XITLMJRVSA-N -1 1 363.381 0.873 10 0 FCAEMM COc1ccc([C@@H](CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)NC(C)=O)cc1 ZINC001642263556 1282995654 /nfs/dbraw/zinc/99/56/54/1282995654.db2.gz HGSHSRNAZWALGH-HUUCEWRRSA-N -1 1 374.401 0.376 10 0 FCAEMM Cc1cn[nH]c1CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001642786783 1283037515 /nfs/dbraw/zinc/03/75/15/1283037515.db2.gz YIUVZQKXDKXFPK-UHFFFAOYSA-N -1 1 355.386 0.669 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001680824124 1283449872 /nfs/dbraw/zinc/44/98/72/1283449872.db2.gz PBKZLORCUMXOPE-RSUWNVLCSA-N -1 1 363.414 0.151 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001683593757 1284052724 /nfs/dbraw/zinc/05/27/24/1284052724.db2.gz CMXNOSDITLEGPB-GFCCVEGCSA-N -1 1 373.417 0.468 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001684565894 1284203090 /nfs/dbraw/zinc/20/30/90/1284203090.db2.gz STZLTMWPZREMQK-VHSXEESVSA-N -1 1 366.418 0.957 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702835349 1285927818 /nfs/dbraw/zinc/92/78/18/1285927818.db2.gz JJKPTGNELAURBU-UPJWGTAASA-N -1 1 360.414 0.138 10 0 FCAEMM C/C=C(\C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001703032211 1286063626 /nfs/dbraw/zinc/06/36/26/1286063626.db2.gz AZFOPZHBIGGNNZ-HFYJYXRSSA-N -1 1 370.413 0.495 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCn1c2ccccc2n(C)c1=O ZINC001593758395 1286214959 /nfs/dbraw/zinc/21/49/59/1286214959.db2.gz DTSSJBJDLILKQH-UHFFFAOYSA-N -1 1 357.418 0.928 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1nc(-c2ccccc2)c[nH]1 ZINC001595400277 1286246260 /nfs/dbraw/zinc/24/62/60/1286246260.db2.gz FIZIWEPUVIMONE-UHFFFAOYSA-N -1 1 353.382 0.676 10 0 FCAEMM O=C(CCn1cnc2sccc2c1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595941495 1286273048 /nfs/dbraw/zinc/27/30/48/1286273048.db2.gz OBKJWYAYTIJRDF-NSHDSACASA-N -1 1 373.442 0.843 10 0 FCAEMM Cn1ccnc1[C@@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001596942704 1286322205 /nfs/dbraw/zinc/32/22/05/1286322205.db2.gz YXPBYSFPWCFXLP-INIZCTEOSA-N -1 1 373.413 0.223 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)[C@@H]([C@H]2CCCO2)C1 ZINC001597116394 1286329132 /nfs/dbraw/zinc/32/91/32/1286329132.db2.gz CMFQQYPXFJUXLI-JHJVBQTASA-N -1 1 351.407 0.482 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001597409452 1286343693 /nfs/dbraw/zinc/34/36/93/1286343693.db2.gz GSGZTKVMVPXVIW-VIFPVBQESA-N -1 1 367.312 0.343 10 0 FCAEMM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597554566 1286350594 /nfs/dbraw/zinc/35/05/94/1286350594.db2.gz PLQQFDYNISHPIG-QGZVFWFLSA-N -1 1 369.418 0.944 10 0 FCAEMM O=C(CC(F)(F)C(F)F)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001719135790 1287803448 /nfs/dbraw/zinc/80/34/48/1287803448.db2.gz OLOVIPBRMHXMQK-VXNVDRBHSA-N -1 1 365.283 0.379 10 0 FCAEMM CC[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736088195 1289136059 /nfs/dbraw/zinc/13/60/59/1289136059.db2.gz YEEMVFYFDFSPPJ-HZSPNIEDSA-N -1 1 364.446 0.374 10 0 FCAEMM O=C(Cn1ccccc1=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001736099975 1289144470 /nfs/dbraw/zinc/14/44/70/1289144470.db2.gz NWHOVHARQLQSPS-UONOGXRCSA-N -1 1 370.409 0.664 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H](C)OCCOC ZINC001719540392 1288172358 /nfs/dbraw/zinc/17/23/58/1288172358.db2.gz XDHCPBVFLCAXGF-MELADBBJSA-N -1 1 365.430 0.948 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001719557613 1288181029 /nfs/dbraw/zinc/18/10/29/1288181029.db2.gz RKKUJZRZGNFNQU-QWHCGFSZSA-N -1 1 360.414 0.423 10 0 FCAEMM CCN(CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)c1ncccc1[O-] ZINC001720637584 1288247067 /nfs/dbraw/zinc/24/70/67/1288247067.db2.gz VRGZXFITDDWNHW-OLZOCXBDSA-N -1 1 362.430 0.657 10 0 FCAEMM O=C(NC/C=C\CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ncccc1[O-] ZINC001721838975 1288385036 /nfs/dbraw/zinc/38/50/36/1288385036.db2.gz WVFNFKTYZGUYKX-OBQMBGOMSA-N -1 1 361.398 0.241 10 0 FCAEMM C[C@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001721917125 1288389327 /nfs/dbraw/zinc/38/93/27/1288389327.db2.gz VTMZPIDBKOXSGE-NRUUGDAUSA-N -1 1 364.402 0.098 10 0 FCAEMM CC[C@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001736261388 1289225935 /nfs/dbraw/zinc/22/59/35/1289225935.db2.gz ZEWSUTZLBFSPBW-XQQFMLRXSA-N -1 1 362.430 0.669 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001736472187 1289375525 /nfs/dbraw/zinc/37/55/25/1289375525.db2.gz IOXZFTUZSOHYAU-AGIUHOORSA-N -1 1 360.414 0.564 10 0 FCAEMM C[C@@H](CN(C)C(=O)Cn1cnc(-c2ccccc2)cc1=O)c1nn[n-]n1 ZINC001611066560 1289626659 /nfs/dbraw/zinc/62/66/59/1289626659.db2.gz XCGZEWBSDICISJ-LBPRGKRZSA-N -1 1 353.386 0.686 10 0 FCAEMM C[C@H](CN(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001611066517 1289626904 /nfs/dbraw/zinc/62/69/04/1289626904.db2.gz WNLIUAZYBXYWKN-SNVBAGLBSA-N -1 1 354.411 0.134 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)n[n-]1 ZINC001611154444 1289632278 /nfs/dbraw/zinc/63/22/78/1289632278.db2.gz LTCQXZJRRYFPKP-UHFFFAOYSA-N -1 1 370.362 0.454 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC001611154444 1289632286 /nfs/dbraw/zinc/63/22/86/1289632286.db2.gz LTCQXZJRRYFPKP-UHFFFAOYSA-N -1 1 370.362 0.454 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC)n[n-]1 ZINC001611154028 1289632356 /nfs/dbraw/zinc/63/23/56/1289632356.db2.gz AOACROWNKGYRTJ-UHFFFAOYSA-N -1 1 358.358 0.987 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC)n1 ZINC001611154028 1289632364 /nfs/dbraw/zinc/63/23/64/1289632364.db2.gz AOACROWNKGYRTJ-UHFFFAOYSA-N -1 1 358.358 0.987 10 0 FCAEMM O=C(Cc1ccccc1N1CCCC1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616142976 1289769303 /nfs/dbraw/zinc/76/93/03/1289769303.db2.gz XLTVLHPSOJXPOW-AWEZNQCLSA-N -1 1 356.386 0.469 10 0 FCAEMM CN1CCN(C(=O)N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)CC1 ZINC001616265672 1289773249 /nfs/dbraw/zinc/77/32/49/1289773249.db2.gz MMXIXMYUZHFTHB-UHFFFAOYSA-N -1 1 350.394 0.657 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)n[n-]1 ZINC001618278132 1289896274 /nfs/dbraw/zinc/89/62/74/1289896274.db2.gz MZJBQLZQBZNPKY-MNOVXSKESA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)[n-]1 ZINC001618278132 1289896281 /nfs/dbraw/zinc/89/62/81/1289896281.db2.gz MZJBQLZQBZNPKY-MNOVXSKESA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)n1 ZINC001618278132 1289896291 /nfs/dbraw/zinc/89/62/91/1289896291.db2.gz MZJBQLZQBZNPKY-MNOVXSKESA-N -1 1 367.406 0.042 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001620739842 1290020309 /nfs/dbraw/zinc/02/03/09/1290020309.db2.gz IANOVETZKZZLJA-XVKPBYJWSA-N -1 1 362.415 0.437 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc(S(C)(=O)=O)c(C)o3)nc2n1 ZINC001623439360 1290220237 /nfs/dbraw/zinc/22/02/37/1290220237.db2.gz SKUBGEDQEKGQKE-UHFFFAOYSA-N -1 1 365.371 0.537 10 0 FCAEMM C=CC(=O)N(C)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786570 1290295042 /nfs/dbraw/zinc/29/50/42/1290295042.db2.gz ZSTFOQJNPRYVQK-ZDUSSCGKSA-N -1 1 352.757 0.842 10 0 FCAEMM CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cnncc1[O-] ZINC001625116540 1290319991 /nfs/dbraw/zinc/31/99/91/1290319991.db2.gz DLFUWOYRHIGXNQ-UHFFFAOYSA-N -1 1 365.415 0.038 10 0 FCAEMM Cc1cc(C(F)(F)F)nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)n1 ZINC001626046949 1290372895 /nfs/dbraw/zinc/37/28/95/1290372895.db2.gz SXFGIWTXGXCSSC-UHFFFAOYSA-N -1 1 357.296 0.441 10 0 FCAEMM CC[C@]1(c2ccc(NC(=O)CCc3nn[n-]n3)cc2)CCC(=O)NC1=O ZINC001626664135 1290409681 /nfs/dbraw/zinc/40/96/81/1290409681.db2.gz UESHCVFFGAYSLI-QGZVFWFLSA-N -1 1 356.386 0.855 10 0 FCAEMM CS(C)(=O)=Nc1ccccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001627165534 1290442797 /nfs/dbraw/zinc/44/27/97/1290442797.db2.gz HTABKGABBOETDQ-GFCCVEGCSA-N -1 1 350.404 0.773 10 0 FCAEMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001627363391 1290458761 /nfs/dbraw/zinc/45/87/61/1290458761.db2.gz WAGLYGNZSMPHGC-BDAKNGLRSA-N -1 1 351.281 0.828 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cnc(Br)cn1 ZINC001627399282 1290460503 /nfs/dbraw/zinc/46/05/03/1290460503.db2.gz DXPXGJIRZNXTEP-UHFFFAOYSA-N -1 1 356.136 0.379 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn(-c3cccnc3)nn2)c1 ZINC001629172108 1290581897 /nfs/dbraw/zinc/58/18/97/1290581897.db2.gz RWFRGVAXBNNMGN-UHFFFAOYSA-N -1 1 374.382 0.528 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(n2)OCCO3)c1 ZINC001629171969 1290582230 /nfs/dbraw/zinc/58/22/30/1290582230.db2.gz OEPGTCVERNZDKB-UHFFFAOYSA-N -1 1 365.367 0.719 10 0 FCAEMM Cn1c2cccc(NC(=O)c3ccc(-n4[n-]c(=O)[nH]c4=O)cc3)c2oc1=O ZINC001630654475 1290686866 /nfs/dbraw/zinc/68/68/66/1290686866.db2.gz OVRXHQKMKNONEW-UHFFFAOYSA-N -1 1 367.321 0.963 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC001631129643 1290714519 /nfs/dbraw/zinc/71/45/19/1290714519.db2.gz IIAGLSRLCLOUAA-UWVGGRQHSA-N -1 1 365.342 0.454 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCOC2CCOCC2)c1 ZINC001631408325 1290729019 /nfs/dbraw/zinc/72/90/19/1290729019.db2.gz RZBHRDNARJQQHJ-UHFFFAOYSA-N -1 1 358.416 0.954 10 0 FCAEMM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2nn[n-]n2)CC(C)C)C1 ZINC001643820029 1290917729 /nfs/dbraw/zinc/91/77/29/1290917729.db2.gz BRLLYDJKBSZPJX-GFCCVEGCSA-N -1 1 358.468 0.246 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001644045281 1290937500 /nfs/dbraw/zinc/93/75/00/1290937500.db2.gz MFNCHVKMDWAXLC-RVDMUPIBSA-N -1 1 365.401 0.899 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001644045280 1290938061 /nfs/dbraw/zinc/93/80/61/1290938061.db2.gz MFNCHVKMDWAXLC-PTNGSMBKSA-N -1 1 365.401 0.899 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccnc1N1CCOCC1 ZINC001644156997 1290943982 /nfs/dbraw/zinc/94/39/82/1290943982.db2.gz QDUQQZMNHQERJE-UHFFFAOYSA-N -1 1 371.397 0.417 10 0 FCAEMM NS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC001644234567 1290948476 /nfs/dbraw/zinc/94/84/76/1290948476.db2.gz SOXIZYDGPFHYSR-UHFFFAOYSA-N -1 1 360.391 0.807 10 0 FCAEMM COC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(Br)cc1[O-] ZINC001645556710 1291034796 /nfs/dbraw/zinc/03/47/96/1291034796.db2.gz MZZYRRZLPUHWFQ-JTQLQIEISA-N -1 1 369.175 0.718 10 0 FCAEMM NC(=O)[C@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@H]1C(N)=O ZINC001647752361 1291071546 /nfs/dbraw/zinc/07/15/46/1291071546.db2.gz PJHKUVNGOILRMQ-AOOOYVTPSA-N -1 1 365.773 0.171 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nn[n-]n2)C1 ZINC001648468887 1291123841 /nfs/dbraw/zinc/12/38/41/1291123841.db2.gz PWAHPXJUHKFUOO-TUAOUCFPSA-N -1 1 351.407 0.858 10 0 FCAEMM CS(C)(=O)=Nc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC001648504332 1291126704 /nfs/dbraw/zinc/12/67/04/1291126704.db2.gz MNOFTMJWHFQSDF-UHFFFAOYSA-N -1 1 357.417 0.820 10 0 FCAEMM CS(C)(=O)=Nc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC001648504332 1291126709 /nfs/dbraw/zinc/12/67/09/1291126709.db2.gz MNOFTMJWHFQSDF-UHFFFAOYSA-N -1 1 357.417 0.820 10 0 FCAEMM C[S@](=O)c1ccc(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001650748980 1291178046 /nfs/dbraw/zinc/17/80/46/1291178046.db2.gz PLPOFROSOIUBCY-VWLOTQADSA-N -1 1 361.423 0.851 10 0 FCAEMM O=C(Cn1c(=O)oc2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650749369 1291178189 /nfs/dbraw/zinc/17/81/89/1291178189.db2.gz WIRXPNGHVMSUOO-UHFFFAOYSA-N -1 1 356.338 0.479 10 0 FCAEMM Cn1nc(I)cc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218665 1291207497 /nfs/dbraw/zinc/20/74/97/1291207497.db2.gz PYRCDJBJPRWKIN-UHFFFAOYSA-N -1 1 373.158 0.347 10 0 FCAEMM C[C@@]1([C@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)COC(=O)N1 ZINC001652121817 1291262586 /nfs/dbraw/zinc/26/25/86/1291262586.db2.gz KIFQQRRFMCZONF-GTNSWQLSSA-N -1 1 362.386 0.254 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(=O)NC)c2)co1 ZINC001652244073 1291269845 /nfs/dbraw/zinc/26/98/45/1291269845.db2.gz IRQUXJLRBBRDJB-UHFFFAOYSA-N -1 1 351.384 0.824 10 0 FCAEMM O=c1cc(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc[nH]1 ZINC001653345819 1291338606 /nfs/dbraw/zinc/33/86/06/1291338606.db2.gz PQYPSWLBYZTFFU-UHFFFAOYSA-N -1 1 368.381 0.738 10 0 FCAEMM CON(CC1CCOCC1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001675457031 1292177322 /nfs/dbraw/zinc/17/73/22/1292177322.db2.gz YORHKDHVEIJEOZ-UHFFFAOYSA-N -1 1 352.391 0.755 10 0 FCAEMM COc1cccc([C@H](O)CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001675456775 1292177398 /nfs/dbraw/zinc/17/73/98/1292177398.db2.gz PTWOJARMNSUOCW-OAHLLOKOSA-N -1 1 374.397 0.796 10 0 FCAEMM CCOC(=O)C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001684870441 1292348005 /nfs/dbraw/zinc/34/80/05/1292348005.db2.gz ZAOGDFPFADQYSQ-UHFFFAOYSA-N -1 1 364.402 0.740 10 0 FCAEMM NS(=O)(=O)[C@@H]1CCCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001685479183 1292534368 /nfs/dbraw/zinc/53/43/68/1292534368.db2.gz FQKZDDSSBFWBCY-SNVBAGLBSA-N -1 1 363.386 0.675 10 0 FCAEMM CC(C)=CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001686271564 1292868213 /nfs/dbraw/zinc/86/82/13/1292868213.db2.gz DGCUXMLIGJYARD-SGTLLEGYSA-N -1 1 370.413 0.495 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC3SCCS3)ccnc1-2 ZINC001118534458 847467363 /nfs/dbraw/zinc/46/73/63/847467363.db2.gz WWRAEJKXSHZJDQ-UHFFFAOYSA-N -1 1 351.457 0.593 10 0 FCAEMM CC(=O)N[C@@H](CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1cccs1 ZINC001118837971 847601065 /nfs/dbraw/zinc/60/10/65/847601065.db2.gz XAOQKNRJOJHQGX-JTQLQIEISA-N -1 1 360.399 0.994 10 0 FCAEMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001123914631 848653457 /nfs/dbraw/zinc/65/34/57/848653457.db2.gz PAOHEVPPYOLCHP-VXGBXAGGSA-N -1 1 366.491 0.928 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(CO)nc1 ZINC001137783784 849284247 /nfs/dbraw/zinc/28/42/47/849284247.db2.gz JOSDMVCMZIXZTO-UHFFFAOYSA-N -1 1 363.395 0.973 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001137822145 849286821 /nfs/dbraw/zinc/28/68/21/849286821.db2.gz LERARKSDDCCXMT-CXAGYDPISA-N -1 1 367.423 0.979 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146750867 849565202 /nfs/dbraw/zinc/56/52/02/849565202.db2.gz YGIVIHULNZMACE-ZYHUDNBSSA-N -1 1 354.359 0.621 10 0 FCAEMM C[C@]1(c2ccco2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001165371923 850438420 /nfs/dbraw/zinc/43/84/20/850438420.db2.gz WCDYMGALUKSGJR-CYBMUJFWSA-N -1 1 361.276 0.684 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC001166125656 850461952 /nfs/dbraw/zinc/46/19/52/850461952.db2.gz CENIBGITWQOHMY-NXEZZACHSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)[n-]1 ZINC001166125656 850461957 /nfs/dbraw/zinc/46/19/57/850461957.db2.gz CENIBGITWQOHMY-NXEZZACHSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)n1 ZINC001166125656 850461962 /nfs/dbraw/zinc/46/19/62/850461962.db2.gz CENIBGITWQOHMY-NXEZZACHSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc(Br)nn2C)n[n-]1 ZINC001166128076 850462082 /nfs/dbraw/zinc/46/20/82/850462082.db2.gz XSBPNDMIRZVCIW-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc(Br)nn2C)[n-]1 ZINC001166128076 850462088 /nfs/dbraw/zinc/46/20/88/850462088.db2.gz XSBPNDMIRZVCIW-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc(Br)nn2C)n1 ZINC001166128076 850462093 /nfs/dbraw/zinc/46/20/93/850462093.db2.gz XSBPNDMIRZVCIW-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM COc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cnc1Br ZINC001170382277 850651751 /nfs/dbraw/zinc/65/17/51/850651751.db2.gz GJCAXOHXUAKWHA-MRVPVSSYSA-N -1 1 369.179 0.580 10 0 FCAEMM O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175552704 850766999 /nfs/dbraw/zinc/76/69/99/850766999.db2.gz JYEAJAWPEKUHPL-QMMMGPOBSA-N -1 1 362.444 0.825 10 0 FCAEMM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177867346 850874881 /nfs/dbraw/zinc/87/48/81/850874881.db2.gz YCHNYLNRYFZAGL-VIFPVBQESA-N -1 1 370.460 0.312 10 0 FCAEMM CCOC(=O)[C@](C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)CC(C)C ZINC001178568945 850908033 /nfs/dbraw/zinc/90/80/33/850908033.db2.gz HJGJZKQXJMIGQV-KRWDZBQOSA-N -1 1 353.419 0.658 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)[n-]c1=O ZINC001180053849 851010177 /nfs/dbraw/zinc/01/01/77/851010177.db2.gz IHBVEPOZELYWLR-WDEREUQCSA-N -1 1 355.416 0.679 10 0 FCAEMM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001180060184 851011641 /nfs/dbraw/zinc/01/16/41/851011641.db2.gz USWQEJUATHXLPR-VHSXEESVSA-N -1 1 358.420 0.182 10 0 FCAEMM Cn1nc(CNC(=O)CNC(=O)c2ncccc2[O-])cc1C(F)(F)F ZINC001180276939 851023495 /nfs/dbraw/zinc/02/34/95/851023495.db2.gz OJXCHOLTJMYDLA-UHFFFAOYSA-N -1 1 357.292 0.586 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC001263823909 859215986 /nfs/dbraw/zinc/21/59/86/859215986.db2.gz AANDQYSNJYJJHM-UHFFFAOYSA-N -1 1 350.322 0.626 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001263947877 859252897 /nfs/dbraw/zinc/25/28/97/859252897.db2.gz GUQXANHDMICSLZ-QGZVFWFLSA-N -1 1 350.419 0.133 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@@H](C)OC ZINC001282178565 864102139 /nfs/dbraw/zinc/10/21/39/864102139.db2.gz KBVUGIFLVGJPFY-YRGRVCCFSA-N -1 1 351.403 0.415 10 0 FCAEMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001297260179 866018011 /nfs/dbraw/zinc/01/80/11/866018011.db2.gz KIWXWFGALFSEMU-NWDGAFQWSA-N -1 1 371.459 0.699 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001297897781 866067773 /nfs/dbraw/zinc/06/77/73/866067773.db2.gz XCPPMLZBSQJLHN-RKDXNWHRSA-N -1 1 370.431 0.489 10 0 FCAEMM CCOC(=O)[C@]1(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCCOC1 ZINC001301735881 866287552 /nfs/dbraw/zinc/28/75/52/866287552.db2.gz CKUUQIZLJYANLE-HNNXBMFYSA-N -1 1 355.416 0.869 10 0 FCAEMM CCCc1nnc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)s1 ZINC001349316282 866303005 /nfs/dbraw/zinc/30/30/05/866303005.db2.gz XVWPTRQZCMXROF-UHFFFAOYSA-N -1 1 356.433 0.574 10 0 FCAEMM O=C(CCCc1nn[n-]n1)N1CC(c2ncc(Br)cn2)C1 ZINC001302815993 866356573 /nfs/dbraw/zinc/35/65/73/866356573.db2.gz CGJCTNDBTLODOF-UHFFFAOYSA-N -1 1 352.196 0.701 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)o1 ZINC001302912586 866365926 /nfs/dbraw/zinc/36/59/26/866365926.db2.gz CAYJAFSMIFHECH-NSHDSACASA-N -1 1 358.416 0.191 10 0 FCAEMM COCCOC[C@@H](C)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001351353279 866838986 /nfs/dbraw/zinc/83/89/86/866838986.db2.gz IGQLDYLASIOJIP-SNVBAGLBSA-N -1 1 360.357 0.497 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC001318470410 867673669 /nfs/dbraw/zinc/67/36/69/867673669.db2.gz LZUKKASPMMYMBV-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC001318470410 867673678 /nfs/dbraw/zinc/67/36/78/867673678.db2.gz LZUKKASPMMYMBV-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cn(Cc3cccs3)nn2)[n-]1 ZINC001318834710 867759886 /nfs/dbraw/zinc/75/98/86/867759886.db2.gz ARSZYUVMCRNBHN-UHFFFAOYSA-N -1 1 353.389 0.162 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cn(Cc3cccs3)nn2)n[n-]1 ZINC001318834710 867759891 /nfs/dbraw/zinc/75/98/91/867759891.db2.gz ARSZYUVMCRNBHN-UHFFFAOYSA-N -1 1 353.389 0.162 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001320432909 868166585 /nfs/dbraw/zinc/16/65/85/868166585.db2.gz AQAAFRLZRNQBTM-UHFFFAOYSA-N -1 1 350.828 0.163 10 0 FCAEMM CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001320731849 868256449 /nfs/dbraw/zinc/25/64/49/868256449.db2.gz RDYAYVOGBXWIKW-AWEZNQCLSA-N -1 1 366.399 0.367 10 0 FCAEMM NC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC001320742651 868261177 /nfs/dbraw/zinc/26/11/77/868261177.db2.gz WBHLBBMMYGITKX-CYBMUJFWSA-N -1 1 355.416 0.003 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC(C)(C)[C@@H](C)O ZINC001320840544 868293885 /nfs/dbraw/zinc/29/38/85/868293885.db2.gz TVEFLTRSKIULCM-GFCCVEGCSA-N -1 1 352.435 0.535 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001321443793 868474687 /nfs/dbraw/zinc/47/46/87/868474687.db2.gz IQYKJKTUAGLTFB-JTQLQIEISA-N -1 1 361.326 0.671 10 0 FCAEMM CCOC[C@H](C)NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001323951200 869424117 /nfs/dbraw/zinc/42/41/17/869424117.db2.gz NJHDJSWWFFGLFH-JTQLQIEISA-N -1 1 367.368 0.445 10 0 FCAEMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001324137388 869484134 /nfs/dbraw/zinc/48/41/34/869484134.db2.gz WBIYLSHQEKCWOS-GDNZZTSVSA-N -1 1 361.364 0.818 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cnc(Cl)cc1Cl ZINC001327089725 870663946 /nfs/dbraw/zinc/66/39/46/870663946.db2.gz LJXGRLSYBXJWED-LBPRGKRZSA-N -1 1 371.242 0.835 10 0 FCAEMM O=C(OCc1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC001328148669 871250414 /nfs/dbraw/zinc/25/04/14/871250414.db2.gz YNWADPJDCYFMSV-HZPDHXFCSA-N -1 1 371.455 0.827 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC001328984734 871759512 /nfs/dbraw/zinc/75/95/12/871759512.db2.gz BOVAWETVSBIWCQ-UHFFFAOYSA-N -1 1 362.364 0.003 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)[n-]1 ZINC001328984734 871759523 /nfs/dbraw/zinc/75/95/23/871759523.db2.gz BOVAWETVSBIWCQ-UHFFFAOYSA-N -1 1 362.364 0.003 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)CCOCC1 ZINC001329224295 871900669 /nfs/dbraw/zinc/90/06/69/871900669.db2.gz BLOCXXROARFZLM-ZBFHGGJFSA-N -1 1 371.455 0.986 10 0 FCAEMM CCc1nnc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001347145997 872183932 /nfs/dbraw/zinc/18/39/32/872183932.db2.gz UBODVCNZCHCARS-XVKPBYJWSA-N -1 1 350.297 0.728 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@](C)(C(=O)OC)c2ccccc2)CC1=O ZINC001330368582 872597141 /nfs/dbraw/zinc/59/71/41/872597141.db2.gz XTGXMGJVEBBJEA-CZUORRHYSA-N -1 1 354.428 0.615 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@](C)(C(=O)OC)c2ccccc2)CC1=O ZINC001330368581 872597182 /nfs/dbraw/zinc/59/71/82/872597182.db2.gz XTGXMGJVEBBJEA-CJNGLKHVSA-N -1 1 354.428 0.615 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)CCOC1 ZINC001348376854 872682570 /nfs/dbraw/zinc/68/25/70/872682570.db2.gz CBBXCHNUYQWBCT-QGZVFWFLSA-N -1 1 352.362 0.621 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CCSC2)CC1 ZINC001332122545 873384411 /nfs/dbraw/zinc/38/44/11/873384411.db2.gz ORPFZMCIPYMAHL-CQSZACIVSA-N -1 1 358.508 0.473 10 0 FCAEMM COC1CCC(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001332175109 873400188 /nfs/dbraw/zinc/40/01/88/873400188.db2.gz KFEMLPLHVUIKAM-JMLCCBQJSA-N -1 1 354.447 0.970 10 0 FCAEMM O=C(N[C@@H](C(=O)[O-])C1CCOCC1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001332932902 873721023 /nfs/dbraw/zinc/72/10/23/873721023.db2.gz NYXXWNYGXHMZPF-HZSPNIEDSA-N -1 1 357.476 0.745 10 0 FCAEMM O=C(N[C@@H](C(=O)[O-])C1CCOCC1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001332932902 873721031 /nfs/dbraw/zinc/72/10/31/873721031.db2.gz NYXXWNYGXHMZPF-HZSPNIEDSA-N -1 1 357.476 0.745 10 0 FCAEMM CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)[C@H]2C1 ZINC000293959022 214213962 /nfs/dbraw/zinc/21/39/62/214213962.db2.gz SRUNHGHKPSFNRU-QWHCGFSZSA-N -1 1 373.413 0.680 10 0 FCAEMM CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)[C@H]2C1 ZINC000293959022 214213966 /nfs/dbraw/zinc/21/39/66/214213966.db2.gz SRUNHGHKPSFNRU-QWHCGFSZSA-N -1 1 373.413 0.680 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000296916283 214370229 /nfs/dbraw/zinc/37/02/29/214370229.db2.gz KNAJNXPCMQTNEJ-AWEZNQCLSA-N -1 1 363.395 0.903 10 0 FCAEMM COCCOc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000327546797 214775926 /nfs/dbraw/zinc/77/59/26/214775926.db2.gz XXCTXADKQNLQDF-UHFFFAOYSA-N -1 1 372.443 0.493 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)NCc2ccc(OC)cc2)n1 ZINC000285243105 213309268 /nfs/dbraw/zinc/30/92/68/213309268.db2.gz YXNOKWARBRKYHX-UHFFFAOYSA-N -1 1 367.383 0.295 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000285130260 213290053 /nfs/dbraw/zinc/29/00/53/213290053.db2.gz OHQVHAXDJYQQEW-RYUDHWBXSA-N -1 1 371.415 0.140 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)CO ZINC000930999831 674085646 /nfs/dbraw/zinc/08/56/46/674085646.db2.gz IWUUXMLDKRQFQD-DCAQKATOSA-N -1 1 370.368 0.193 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)CC(C)(C)OC)CC2)n1 ZINC000367723615 216153381 /nfs/dbraw/zinc/15/33/81/216153381.db2.gz TUUHQHBMXLAYAY-UHFFFAOYSA-N -1 1 374.463 0.916 10 0 FCAEMM NC(=O)c1cn(C2CN(C(=O)c3cc(Br)ccc3[O-])C2)nn1 ZINC000374783969 217173164 /nfs/dbraw/zinc/17/31/64/217173164.db2.gz RPGQITPHIDTMIX-UHFFFAOYSA-N -1 1 366.175 0.542 10 0 FCAEMM C[C@@H]1CCCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C(=O)[O-] ZINC000424269774 247193242 /nfs/dbraw/zinc/19/32/42/247193242.db2.gz XITQYWFWCPGXOH-BDJLRTHQSA-N -1 1 371.393 0.970 10 0 FCAEMM O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444385930 248357631 /nfs/dbraw/zinc/35/76/31/248357631.db2.gz UKBZMTRBFNPPRC-ZDUSSCGKSA-N -1 1 374.397 0.991 10 0 FCAEMM Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000452793720 249332711 /nfs/dbraw/zinc/33/27/11/249332711.db2.gz HQPQIFFAFJJZEE-LLVKDONJSA-N -1 1 361.402 0.321 10 0 FCAEMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CCCO1 ZINC000271533108 211415051 /nfs/dbraw/zinc/41/50/51/211415051.db2.gz NMZSKEAGRQFDFQ-MRXNPFEDSA-N -1 1 370.427 0.921 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCNC(=O)OC(C)(C)C)co1 ZINC000270041826 211144990 /nfs/dbraw/zinc/14/49/90/211144990.db2.gz JPSDOBQWLYXAPN-UHFFFAOYSA-N -1 1 361.420 0.832 10 0 FCAEMM CC(C)Cn1nc(C(=O)NC2(c3nn[n-]n3)CC2)c2ccccc2c1=O ZINC000470984371 250085559 /nfs/dbraw/zinc/08/55/59/250085559.db2.gz OXTKZYRSDIAMOR-UHFFFAOYSA-N -1 1 353.386 0.985 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccnn1C)c1ccc(OC)cc1OC ZINC000472617417 250167398 /nfs/dbraw/zinc/16/73/98/250167398.db2.gz RICHJNRZWFJERR-AWEZNQCLSA-N -1 1 369.399 0.630 10 0 FCAEMM COC[C@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472643465 250169664 /nfs/dbraw/zinc/16/96/64/250169664.db2.gz ZYXNCDPPZAUAMK-IINYFYTJSA-N -1 1 361.416 0.872 10 0 FCAEMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000473140922 250203144 /nfs/dbraw/zinc/20/31/44/250203144.db2.gz DHUYQXNAQBTNFH-KOLCDFICSA-N -1 1 366.399 0.968 10 0 FCAEMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000473140922 250203146 /nfs/dbraw/zinc/20/31/46/250203146.db2.gz DHUYQXNAQBTNFH-KOLCDFICSA-N -1 1 366.399 0.968 10 0 FCAEMM Cc1cnc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000481229052 250323639 /nfs/dbraw/zinc/32/36/39/250323639.db2.gz AHOKQPUCCBIVDO-UHFFFAOYSA-N -1 1 365.411 0.894 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(C(=O)OC)cc1 ZINC000326730023 488916360 /nfs/dbraw/zinc/91/63/60/488916360.db2.gz DVDOXMZXRBYOQJ-UHFFFAOYSA-N -1 1 367.383 0.852 10 0 FCAEMM CCC[C@@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1nn[n-]n1 ZINC000364425149 488958802 /nfs/dbraw/zinc/95/88/02/488958802.db2.gz FSCHTEZBRCXJDQ-LLVKDONJSA-N -1 1 363.422 0.754 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2)o1 ZINC000031605943 487762246 /nfs/dbraw/zinc/76/22/46/487762246.db2.gz BDODKYVKZAZERV-UHFFFAOYSA-N -1 1 351.384 0.348 10 0 FCAEMM CCN(CC)C(=O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000079095255 488427230 /nfs/dbraw/zinc/42/72/30/488427230.db2.gz SZPFBBNFHDCCLN-UHFFFAOYSA-N -1 1 371.441 0.962 10 0 FCAEMM CCc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)n[nH]1 ZINC000120680695 488562594 /nfs/dbraw/zinc/56/25/94/488562594.db2.gz YAYLBPKKPJBETO-UHFFFAOYSA-N -1 1 360.418 0.772 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2c[nH]nc2-c2ccccc2F)n1 ZINC000129931590 488634520 /nfs/dbraw/zinc/63/45/20/488634520.db2.gz UXQQXINCISNUSA-UHFFFAOYSA-N -1 1 350.335 0.990 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c[nH]nc2-c2ccccc2F)[n-]1 ZINC000129931590 488634521 /nfs/dbraw/zinc/63/45/21/488634521.db2.gz UXQQXINCISNUSA-UHFFFAOYSA-N -1 1 350.335 0.990 10 0 FCAEMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000273743046 488669596 /nfs/dbraw/zinc/66/95/96/488669596.db2.gz OEYAYHXVNMPFFG-UHFFFAOYSA-N -1 1 369.399 0.845 10 0 FCAEMM Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c[nH]1 ZINC000264643046 488694075 /nfs/dbraw/zinc/69/40/75/488694075.db2.gz FIVAHYCCVNIBCA-UHFFFAOYSA-N -1 1 366.399 0.697 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cc[nH]c1 ZINC000264666371 488696390 /nfs/dbraw/zinc/69/63/90/488696390.db2.gz IMOJFOCIELEPQS-UHFFFAOYSA-N -1 1 351.384 0.994 10 0 FCAEMM COCc1nc2n(n1)C[C@@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000152837954 488723708 /nfs/dbraw/zinc/72/37/08/488723708.db2.gz SVYUXGJXYADRBL-JTQLQIEISA-N -1 1 354.370 0.406 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1C ZINC000274876392 488739638 /nfs/dbraw/zinc/73/96/38/488739638.db2.gz BUTPWOPVXRGQND-GFCCVEGCSA-N -1 1 367.383 0.479 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1C ZINC000274876394 488739752 /nfs/dbraw/zinc/73/97/52/488739752.db2.gz BUTPWOPVXRGQND-LBPRGKRZSA-N -1 1 367.383 0.479 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274890804 488740849 /nfs/dbraw/zinc/74/08/49/488740849.db2.gz FWDZHWJTWZXGEV-MRVPVSSYSA-N -1 1 359.385 0.232 10 0 FCAEMM CCOC(=O)C1(O)CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CC1 ZINC000266891602 488741030 /nfs/dbraw/zinc/74/10/30/488741030.db2.gz DCLBJWZEWBYTPY-UHFFFAOYSA-N -1 1 364.398 0.342 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)c1 ZINC000274894255 488741344 /nfs/dbraw/zinc/74/13/44/488741344.db2.gz GOIXOPATUSMRHU-LBPRGKRZSA-N -1 1 367.383 0.479 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000274929842 488744742 /nfs/dbraw/zinc/74/47/42/488744742.db2.gz CWNMVXZIVOGHHO-HNNXBMFYSA-N -1 1 369.443 0.862 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c[nH]1 ZINC000275028718 488754718 /nfs/dbraw/zinc/75/47/18/488754718.db2.gz TVMLIGPECPLLGQ-LBPRGKRZSA-N -1 1 359.404 0.019 10 0 FCAEMM COC(=O)c1cccc(CS(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275201095 488772231 /nfs/dbraw/zinc/77/22/31/488772231.db2.gz BGOBXVYNNAXRQU-UHFFFAOYSA-N -1 1 370.427 0.395 10 0 FCAEMM Cc1cc(N2CC[C@@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)n(C)n1 ZINC000173280441 488842120 /nfs/dbraw/zinc/84/21/20/488842120.db2.gz MWBKVIGZLWYUBG-CYBMUJFWSA-N -1 1 366.381 0.500 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329382647 488999127 /nfs/dbraw/zinc/99/91/27/488999127.db2.gz OMDHEJXUSKMVDX-VXGBXAGGSA-N -1 1 354.432 0.626 10 0 FCAEMM COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000288797637 489016881 /nfs/dbraw/zinc/01/68/81/489016881.db2.gz CSRFLCLBHVJAFW-AWEZNQCLSA-N -1 1 374.397 0.978 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365013495 489029517 /nfs/dbraw/zinc/02/95/17/489029517.db2.gz JGFXOJQZJWGAEW-TZMCWYRMSA-N -1 1 372.385 0.110 10 0 FCAEMM CCn1nccc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289422911 489066229 /nfs/dbraw/zinc/06/62/29/489066229.db2.gz CCGUOZQXOJBYTK-SNVBAGLBSA-N -1 1 368.381 0.982 10 0 FCAEMM C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289504543 489072226 /nfs/dbraw/zinc/07/22/26/489072226.db2.gz ULINSGGMYSDWMC-HTQZYQBOSA-N -1 1 364.328 0.054 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000365998637 489133467 /nfs/dbraw/zinc/13/34/67/489133467.db2.gz ZWLDVSAWASEFDW-GXSJLCMTSA-N -1 1 356.402 0.967 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C[C@]2(CCOC2)O1 ZINC000366512505 489190705 /nfs/dbraw/zinc/19/07/05/489190705.db2.gz FVBIMHJVRPBNRC-ABAIWWIYSA-N -1 1 358.416 0.598 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)c3c(C)[n-]c(=O)nc3SC)C[C@H]1COCC2 ZINC000366545438 489193371 /nfs/dbraw/zinc/19/33/71/489193371.db2.gz NOTHPRJWCUAOER-MGPLVRAMSA-N -1 1 367.427 0.864 10 0 FCAEMM O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283022266 489207424 /nfs/dbraw/zinc/20/74/24/489207424.db2.gz XPDRAOGNXUDAJJ-SNVBAGLBSA-N -1 1 359.415 0.819 10 0 FCAEMM O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283029796 489208107 /nfs/dbraw/zinc/20/81/07/489208107.db2.gz YJYSTYUTNSTBNK-LLVKDONJSA-N -1 1 373.438 0.943 10 0 FCAEMM O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283046960 489209699 /nfs/dbraw/zinc/20/96/99/489209699.db2.gz ZZIYBPJITMZSBS-GFCCVEGCSA-N -1 1 370.365 0.989 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1cnn(Cc2nnc3n2CCCC3)c1 ZINC000570443212 491241431 /nfs/dbraw/zinc/24/14/31/491241431.db2.gz SXYYTEKLHRFTDW-UHFFFAOYSA-N -1 1 368.419 0.164 10 0 FCAEMM CC1=C[C@H](C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1 ZINC000349485034 489297293 /nfs/dbraw/zinc/29/72/93/489297293.db2.gz TYYZSCTVOYUBAQ-JTQLQIEISA-N -1 1 360.448 0.789 10 0 FCAEMM CCC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nn[n-]n1 ZINC000370474061 489364404 /nfs/dbraw/zinc/36/44/04/489364404.db2.gz WLQJGQCHJHZYKW-NOEPWBJOSA-N -1 1 363.422 0.658 10 0 FCAEMM CCOC(=O)CC1(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)CC1 ZINC000451351796 489500304 /nfs/dbraw/zinc/50/03/04/489500304.db2.gz JVQWLBIWEPWYRX-CYBMUJFWSA-N -1 1 351.446 0.440 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425226053 489518462 /nfs/dbraw/zinc/51/84/62/489518462.db2.gz MEPCQMPGCAARHH-ZDUSSCGKSA-N -1 1 359.448 0.801 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 ZINC000427894766 489626925 /nfs/dbraw/zinc/62/69/25/489626925.db2.gz MNRSGIJLLILYTQ-CYBMUJFWSA-N -1 1 369.443 0.886 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)co1 ZINC000372876585 489646748 /nfs/dbraw/zinc/64/67/48/489646748.db2.gz BLKRYHFRNIYDNA-LBPRGKRZSA-N -1 1 365.415 0.377 10 0 FCAEMM O=S(=O)(CCOCC(F)(F)F)[N-]c1cnn(-c2ncccn2)c1 ZINC000570893428 491272110 /nfs/dbraw/zinc/27/21/10/491272110.db2.gz JNYGPNWIXXQROX-UHFFFAOYSA-N -1 1 351.310 0.983 10 0 FCAEMM CC(C)[C@@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000474378812 489758463 /nfs/dbraw/zinc/75/84/63/489758463.db2.gz PEXIZTMXMVCRCT-MRXNPFEDSA-N -1 1 372.443 0.759 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)NCc2ccc(OC)cc2)[n-]1 ZINC000474450907 489763930 /nfs/dbraw/zinc/76/39/30/489763930.db2.gz XYFSKATVZDYWSL-UHFFFAOYSA-N -1 1 354.388 0.050 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)NCc2ccc(OC)cc2)n[n-]1 ZINC000474450907 489763933 /nfs/dbraw/zinc/76/39/33/489763933.db2.gz XYFSKATVZDYWSL-UHFFFAOYSA-N -1 1 354.388 0.050 10 0 FCAEMM COC(=O)C[C@H](C)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000475021521 489802273 /nfs/dbraw/zinc/80/22/73/489802273.db2.gz DNJXYSULOXIQQM-LBPRGKRZSA-N -1 1 358.398 0.633 10 0 FCAEMM O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC2(c3nn[n-]n3)CC2)C1 ZINC000477023104 489931685 /nfs/dbraw/zinc/93/16/85/489931685.db2.gz WOFPHWIHRZADEV-ZDUSSCGKSA-N -1 1 370.413 0.623 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(I)c(O)c1 ZINC000477025071 489932432 /nfs/dbraw/zinc/93/24/32/489932432.db2.gz LZSKXIHNQYMVNU-UHFFFAOYSA-N -1 1 371.138 0.929 10 0 FCAEMM Cc1sc2ncn(CCC(=O)NC3(c4nn[n-]n4)CC3)c(=O)c2c1C ZINC000477026939 489932972 /nfs/dbraw/zinc/93/29/72/489932972.db2.gz AIHLZWUXYWEURU-UHFFFAOYSA-N -1 1 359.415 0.784 10 0 FCAEMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000477031257 489933797 /nfs/dbraw/zinc/93/37/97/489933797.db2.gz FDUBIMHEGCQPKD-INIZCTEOSA-N -1 1 361.406 0.196 10 0 FCAEMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1 ZINC000421152257 490049545 /nfs/dbraw/zinc/04/95/45/490049545.db2.gz JSMCBVQXCVTKHI-AWEZNQCLSA-N -1 1 371.459 0.705 10 0 FCAEMM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1nc2ccccc2c(=O)[n-]1 ZINC000465065800 490080340 /nfs/dbraw/zinc/08/03/40/490080340.db2.gz LSWONCIFZBPGAA-XYZCENFISA-N -1 1 355.354 0.031 10 0 FCAEMM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000479858041 490128909 /nfs/dbraw/zinc/12/89/09/490128909.db2.gz GQHOBJCKHRYDOL-UHFFFAOYSA-N -1 1 370.341 0.783 10 0 FCAEMM Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000479858041 490128916 /nfs/dbraw/zinc/12/89/16/490128916.db2.gz GQHOBJCKHRYDOL-UHFFFAOYSA-N -1 1 370.341 0.783 10 0 FCAEMM COc1ncccc1-c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000545666866 490151136 /nfs/dbraw/zinc/15/11/36/490151136.db2.gz FEYHVXQBDZHMIT-UHFFFAOYSA-N -1 1 364.387 0.661 10 0 FCAEMM Cn1cc(S(=O)(=O)NCCSc2nc(C3CC3)cc(=O)[n-]2)cn1 ZINC000564402159 491305144 /nfs/dbraw/zinc/30/51/44/491305144.db2.gz KUGAZHHKNSOBTP-UHFFFAOYSA-N -1 1 355.445 0.864 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000447494679 490241971 /nfs/dbraw/zinc/24/19/71/490241971.db2.gz ZUMCNBQJFXJYCH-UHFFFAOYSA-N -1 1 364.474 0.170 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000447494679 490241982 /nfs/dbraw/zinc/24/19/82/490241982.db2.gz ZUMCNBQJFXJYCH-UHFFFAOYSA-N -1 1 364.474 0.170 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000447494679 490241992 /nfs/dbraw/zinc/24/19/92/490241992.db2.gz ZUMCNBQJFXJYCH-UHFFFAOYSA-N -1 1 364.474 0.170 10 0 FCAEMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447761351 490270170 /nfs/dbraw/zinc/27/01/70/490270170.db2.gz VAUCCTOQKAUXET-VXGBXAGGSA-N -1 1 366.480 0.519 10 0 FCAEMM Cc1cnc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c([O-])c1 ZINC000483063058 490277785 /nfs/dbraw/zinc/27/77/85/490277785.db2.gz XENLHSXYVDDQOB-UHFFFAOYSA-N -1 1 350.396 0.792 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2ncc(F)cn2)CC1 ZINC000571545126 491314754 /nfs/dbraw/zinc/31/47/54/491314754.db2.gz RLGQCUBYYDFHIS-UHFFFAOYSA-N -1 1 354.345 0.815 10 0 FCAEMM CN1CCc2ccc(S(=O)(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cc21 ZINC000547558202 490318155 /nfs/dbraw/zinc/31/81/55/490318155.db2.gz TZUCORQVDFUQJB-CYBMUJFWSA-N -1 1 350.400 0.376 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000547910589 490384333 /nfs/dbraw/zinc/38/43/33/490384333.db2.gz CGJHIMBTFQOWDH-OLZOCXBDSA-N -1 1 362.448 0.140 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000468323903 490386014 /nfs/dbraw/zinc/38/60/14/490386014.db2.gz PAKJCVKLTOSGQC-SFHVURJKSA-N -1 1 371.397 0.281 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)s[n-]1 ZINC000411229640 490408947 /nfs/dbraw/zinc/40/89/47/490408947.db2.gz TXRZWNFHCVRVBR-GFCCVEGCSA-N -1 1 351.476 0.938 10 0 FCAEMM Cn1nccc1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000571751848 491327124 /nfs/dbraw/zinc/32/71/24/491327124.db2.gz PXJXBJSYYUXFST-UHFFFAOYSA-N -1 1 350.400 0.748 10 0 FCAEMM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000548275565 490455451 /nfs/dbraw/zinc/45/54/51/490455451.db2.gz ZRRQLQOEIGUQTP-VXGBXAGGSA-N -1 1 350.462 0.859 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000500603312 490538175 /nfs/dbraw/zinc/53/81/75/490538175.db2.gz PDYNNMFWHLXNQT-QMMMGPOBSA-N -1 1 353.335 0.412 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)[n-]1 ZINC000500603312 490538178 /nfs/dbraw/zinc/53/81/78/490538178.db2.gz PDYNNMFWHLXNQT-QMMMGPOBSA-N -1 1 353.335 0.412 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](O)Cc2ccccc2)c1 ZINC000486943411 490681193 /nfs/dbraw/zinc/68/11/93/490681193.db2.gz UJDXNNFBBFEDEW-GFCCVEGCSA-N -1 1 350.396 0.972 10 0 FCAEMM CN1CCN(c2ccc([N-]S(=O)(=O)c3cnc4n3CCC4)nc2)CC1 ZINC000527107318 490699267 /nfs/dbraw/zinc/69/92/67/490699267.db2.gz MOKZOMFGMLKEFO-UHFFFAOYSA-N -1 1 362.459 0.777 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cn1C ZINC000538093013 490710009 /nfs/dbraw/zinc/71/00/09/490710009.db2.gz JVLFVIMVZUFUHZ-UHFFFAOYSA-N -1 1 368.390 0.766 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCNC(=O)c2ccccc2)co1 ZINC000527492425 490728969 /nfs/dbraw/zinc/72/89/69/490728969.db2.gz YVGXLBPPRYXASA-UHFFFAOYSA-N -1 1 365.411 0.738 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c(=O)n(C)c1=O ZINC000528501082 490805079 /nfs/dbraw/zinc/80/50/79/490805079.db2.gz YPJKHFHFKWZNPC-AWEZNQCLSA-N -1 1 364.427 0.299 10 0 FCAEMM NC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)on1 ZINC000541118109 490850664 /nfs/dbraw/zinc/85/06/64/490850664.db2.gz RMWMDVRENFZCIM-UHFFFAOYSA-N -1 1 350.278 0.666 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC=CCC2)o1 ZINC000529870555 490879513 /nfs/dbraw/zinc/87/95/13/490879513.db2.gz UZHVMHPJJHHPDE-LLVKDONJSA-N -1 1 355.416 0.519 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(=O)N2CCCC2)co1 ZINC000530084469 490887791 /nfs/dbraw/zinc/88/77/91/490887791.db2.gz BRLVVBLMGALQCN-UHFFFAOYSA-N -1 1 357.432 0.566 10 0 FCAEMM Cn1[n-]c(Cn2c(=O)onc2-c2cccc(Br)c2)nc1=O ZINC000543641879 490939582 /nfs/dbraw/zinc/93/95/82/490939582.db2.gz QGFDEIGUOAKLDU-UHFFFAOYSA-N -1 1 352.148 0.736 10 0 FCAEMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)C2)C1 ZINC000543845921 490949468 /nfs/dbraw/zinc/94/94/68/490949468.db2.gz WAGHYSFQHHCGLH-BZNIZROVSA-N -1 1 369.443 0.696 10 0 FCAEMM Cc1cnc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([O-])c1 ZINC000557416544 491373100 /nfs/dbraw/zinc/37/31/00/491373100.db2.gz RBQCPFCUXPITLA-VIFPVBQESA-N -1 1 355.338 0.648 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000572528185 491376716 /nfs/dbraw/zinc/37/67/16/491376716.db2.gz HREWZPPXSTWISL-GXFFZTMASA-N -1 1 364.427 1.033 10 0 FCAEMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)ccc1F ZINC000574638481 491509918 /nfs/dbraw/zinc/50/99/18/491509918.db2.gz UYWLVYGCUDJOMY-LBPRGKRZSA-N -1 1 366.436 0.901 10 0 FCAEMM O=C(c1ccc(Br)c([O-])c1)N1CCn2nnc(CO)c2C1 ZINC000568233610 491561783 /nfs/dbraw/zinc/56/17/83/491561783.db2.gz UOCUXZPCXWDWQH-UHFFFAOYSA-N -1 1 353.176 0.895 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000575847017 491564838 /nfs/dbraw/zinc/56/48/38/491564838.db2.gz BUWOKSVSFSPYJX-UHFFFAOYSA-N -1 1 360.395 0.858 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)cc1C(N)=O ZINC000568539701 491584933 /nfs/dbraw/zinc/58/49/33/491584933.db2.gz DLWQEHPOKAESPI-UHFFFAOYSA-N -1 1 366.374 0.350 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C1CC1 ZINC000569217815 491642888 /nfs/dbraw/zinc/64/28/88/491642888.db2.gz UQPQNAKRQCQEOQ-MNOVXSKESA-N -1 1 370.435 0.896 10 0 FCAEMM COc1cc(OC)c(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C(=O)[O-])c1 ZINC000578538597 491679551 /nfs/dbraw/zinc/67/95/51/491679551.db2.gz ZMJVYPGSPMMCCY-QMMMGPOBSA-N -1 1 360.388 0.620 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000588899834 491751374 /nfs/dbraw/zinc/75/13/74/491751374.db2.gz YHVYBYNSGDLFBA-CYBMUJFWSA-N -1 1 372.443 0.674 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1 ZINC000590384537 491774570 /nfs/dbraw/zinc/77/45/70/491774570.db2.gz YPPOGLGQMNCDKP-UHFFFAOYSA-N -1 1 363.395 0.778 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000594866936 491868607 /nfs/dbraw/zinc/86/86/07/491868607.db2.gz VPFMPMPPCXUYIF-TZMCWYRMSA-N -1 1 355.428 0.639 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCSCC1 ZINC000601380386 491910940 /nfs/dbraw/zinc/91/09/40/491910940.db2.gz VAHWEPVTEKLFIQ-NSHDSACASA-N -1 1 362.473 0.108 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccc(F)c(C)c2)CC1=O ZINC000601394888 491912712 /nfs/dbraw/zinc/91/27/12/491912712.db2.gz YLMWRIGCLOZWEW-SWLSCSKDSA-N -1 1 372.418 0.888 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1C ZINC000595316235 491917765 /nfs/dbraw/zinc/91/77/65/491917765.db2.gz DRIPCAOKAIBHLE-JMJZKYOTSA-N -1 1 356.400 0.662 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)c1 ZINC000601452643 491921129 /nfs/dbraw/zinc/92/11/29/491921129.db2.gz LNNRFKHFXMXDIG-STQMWFEESA-N -1 1 372.443 0.844 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1ccnn1C ZINC000601451955 491921505 /nfs/dbraw/zinc/92/15/05/491921505.db2.gz CNZDNARURVWHTR-KOLCDFICSA-N -1 1 351.375 0.989 10 0 FCAEMM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000595363530 491924253 /nfs/dbraw/zinc/92/42/53/491924253.db2.gz FDZSCSAHLPSSJG-UHFFFAOYSA-N -1 1 351.402 0.312 10 0 FCAEMM CCOC(=O)CCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595400106 491928629 /nfs/dbraw/zinc/92/86/29/491928629.db2.gz ACCJJLSZAPIIRO-UHFFFAOYSA-N -1 1 365.448 0.750 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CN(C)C(=O)N2)c1 ZINC000613208423 491972887 /nfs/dbraw/zinc/97/28/87/491972887.db2.gz VDAIMQZYYOLQHJ-LBPRGKRZSA-N -1 1 370.431 0.385 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)n1 ZINC000597573610 492048357 /nfs/dbraw/zinc/04/83/57/492048357.db2.gz GKESGCARYJFPBQ-STQMWFEESA-N -1 1 366.418 0.739 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)n[n-]1 ZINC000597580161 492048908 /nfs/dbraw/zinc/04/89/08/492048908.db2.gz NHOUSIKDVMGCKD-STQMWFEESA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)[n-]1 ZINC000597580161 492048909 /nfs/dbraw/zinc/04/89/09/492048909.db2.gz NHOUSIKDVMGCKD-STQMWFEESA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](O)C2CCOCC2)n1 ZINC000597580161 492048911 /nfs/dbraw/zinc/04/89/11/492048911.db2.gz NHOUSIKDVMGCKD-STQMWFEESA-N -1 1 368.434 0.972 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COCc2nccn2C)c1 ZINC000615053970 492070756 /nfs/dbraw/zinc/07/07/56/492070756.db2.gz LOQQYQDXEJFAGI-UHFFFAOYSA-N -1 1 354.388 0.189 10 0 FCAEMM CCNS(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000605381518 492092925 /nfs/dbraw/zinc/09/29/25/492092925.db2.gz XAGZGDRURQDGHQ-UHFFFAOYSA-N -1 1 364.431 0.697 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cn2c(=O)cnc3ccccc32)n[n-]1 ZINC000615919044 492107005 /nfs/dbraw/zinc/10/70/05/492107005.db2.gz PVWXYBVIRAGSSO-UHFFFAOYSA-N -1 1 356.342 0.008 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cn2c(=O)cnc3ccccc32)n1 ZINC000615919044 492107008 /nfs/dbraw/zinc/10/70/08/492107008.db2.gz PVWXYBVIRAGSSO-UHFFFAOYSA-N -1 1 356.342 0.008 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccccc1OCc1cscn1 ZINC000606117733 492117112 /nfs/dbraw/zinc/11/71/12/492117112.db2.gz SWULDHRYIIJNPS-UHFFFAOYSA-N -1 1 359.371 0.490 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@](C)(C(=O)OC)C2CC2)on1 ZINC000599237849 492147297 /nfs/dbraw/zinc/14/72/97/492147297.db2.gz MNTBWKBMFPVEOX-CQSZACIVSA-N -1 1 360.388 0.612 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000599404698 492168979 /nfs/dbraw/zinc/16/89/79/492168979.db2.gz WBMWZJNQIFQVOM-BYCMXARLSA-N -1 1 357.428 0.876 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)c1 ZINC000599514008 492182566 /nfs/dbraw/zinc/18/25/66/492182566.db2.gz CVPIIGUIJQETRT-KOLCDFICSA-N -1 1 357.344 0.566 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)o1 ZINC000600427348 492269214 /nfs/dbraw/zinc/26/92/14/492269214.db2.gz ITLYETZHKLODHX-MNOVXSKESA-N -1 1 374.415 0.276 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)co1 ZINC000600464846 492272130 /nfs/dbraw/zinc/27/21/30/492272130.db2.gz ZXCRHGYZZQDHSG-JQWIXIFHSA-N -1 1 374.415 0.276 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)co1 ZINC000600464848 492272334 /nfs/dbraw/zinc/27/23/34/492272334.db2.gz ZXCRHGYZZQDHSG-ZYHUDNBSSA-N -1 1 374.415 0.276 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)co1 ZINC000619980037 492285323 /nfs/dbraw/zinc/28/53/23/492285323.db2.gz HSQWFRRKLYUUAJ-LLVKDONJSA-N -1 1 358.420 0.016 10 0 FCAEMM O=C(c1c[n-]n2c1nccc2=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000621948124 492435361 /nfs/dbraw/zinc/43/53/61/492435361.db2.gz QBZCWMIXQWEUCJ-UHFFFAOYSA-N -1 1 373.457 0.987 10 0 FCAEMM COCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000655639652 492468923 /nfs/dbraw/zinc/46/89/23/492468923.db2.gz SFXFZCVSDORFIV-UHFFFAOYSA-N -1 1 366.436 0.902 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1)C1CCOCC1 ZINC000655636787 492468098 /nfs/dbraw/zinc/46/80/98/492468098.db2.gz BZVRBVMOEWAMIS-LBPRGKRZSA-N -1 1 361.468 0.289 10 0 FCAEMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)CC(F)F ZINC000648961311 492480955 /nfs/dbraw/zinc/48/09/55/492480955.db2.gz AAJDQXJZIVVPAS-SSDOTTSWSA-N -1 1 353.347 0.064 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)C1 ZINC000622871576 492491543 /nfs/dbraw/zinc/49/15/43/492491543.db2.gz AJFMAYOADRYEMA-JQWIXIFHSA-N -1 1 360.418 0.949 10 0 FCAEMM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000656002795 492511406 /nfs/dbraw/zinc/51/14/06/492511406.db2.gz JZLPFVPFVGWQFE-WCQYABFASA-N -1 1 371.397 0.972 10 0 FCAEMM C[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000656002796 492511846 /nfs/dbraw/zinc/51/18/46/492511846.db2.gz JZLPFVPFVGWQFE-YPMHNXCESA-N -1 1 371.397 0.972 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3cncn3C2)o1 ZINC000623274761 492536877 /nfs/dbraw/zinc/53/68/77/492536877.db2.gz UDBXBTWMGJOUSN-SNVBAGLBSA-N -1 1 352.416 0.908 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000656101983 492551280 /nfs/dbraw/zinc/55/12/80/492551280.db2.gz AGWUFGHFBSVCEZ-ZIAGYGMSSA-N -1 1 353.463 0.888 10 0 FCAEMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)nc1 ZINC000656375413 492616088 /nfs/dbraw/zinc/61/60/88/492616088.db2.gz LLWWZMZFEUNSHW-UHFFFAOYSA-N -1 1 365.452 0.895 10 0 FCAEMM Cc1cccc(-n2cc(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)nn2)c1 ZINC000643909424 492601323 /nfs/dbraw/zinc/60/13/23/492601323.db2.gz XNWKAPBMDNAODZ-UHFFFAOYSA-N -1 1 350.342 0.867 10 0 FCAEMM CC1(F)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000656374385 492616323 /nfs/dbraw/zinc/61/63/23/492616323.db2.gz FIMALVZRBWRVFG-UHFFFAOYSA-N -1 1 372.390 0.963 10 0 FCAEMM COc1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000629534758 492640694 /nfs/dbraw/zinc/64/06/94/492640694.db2.gz APLBTTDUXULHEA-UHFFFAOYSA-N -1 1 363.823 0.275 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2=O)CCOCC1 ZINC000625038667 492714680 /nfs/dbraw/zinc/71/46/80/492714680.db2.gz BZHUHGAWKGBXCL-LBPRGKRZSA-N -1 1 362.448 0.027 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000657101807 492720754 /nfs/dbraw/zinc/72/07/54/492720754.db2.gz VGMVPWCDOLUTCE-UWVGGRQHSA-N -1 1 357.812 0.569 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000630442945 492747029 /nfs/dbraw/zinc/74/70/29/492747029.db2.gz WFFSCFMAICGNHL-PMPSAXMXSA-N -1 1 373.519 0.671 10 0 FCAEMM O=C(CCCc1ccccc1)N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC000630869548 492780983 /nfs/dbraw/zinc/78/09/83/492780983.db2.gz WIMZTFYXAMXOTF-UHFFFAOYSA-N -1 1 356.430 0.826 10 0 FCAEMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000651561250 492782199 /nfs/dbraw/zinc/78/21/99/492782199.db2.gz DWIGCXHFBOWGDP-LLVKDONJSA-N -1 1 352.439 0.616 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000630896493 492782770 /nfs/dbraw/zinc/78/27/70/492782770.db2.gz NAQBAFRHHYVBCZ-AWEZNQCLSA-N -1 1 364.837 0.975 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)[n-]1 ZINC000651672403 492804306 /nfs/dbraw/zinc/80/43/06/492804306.db2.gz ZUFQPQNAIUZPHE-HOCLYGCPSA-N -1 1 370.457 0.856 10 0 FCAEMM CCCN(CCN1CCCCC1)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651791005 492823209 /nfs/dbraw/zinc/82/32/09/492823209.db2.gz UEVAQVAXSLMGDQ-UHFFFAOYSA-N -1 1 350.467 0.944 10 0 FCAEMM CC[C@H](NC(=O)CCc1nn[n-]n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000631806032 492855927 /nfs/dbraw/zinc/85/59/27/492855927.db2.gz ZNDMWDHCTOXLDT-JKSUJKDBSA-N -1 1 358.446 0.928 10 0 FCAEMM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)C1 ZINC000632014027 492910287 /nfs/dbraw/zinc/91/02/87/492910287.db2.gz ZQGFNOLRASIPSE-GWCFXTLKSA-N -1 1 350.387 0.248 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H]3CCC(=O)NC3=O)c(=O)c2c(OC)c1 ZINC000626212018 492947137 /nfs/dbraw/zinc/94/71/37/492947137.db2.gz HBOCEUPKSPQBPB-JTQLQIEISA-N -1 1 359.338 0.080 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632197039 492947971 /nfs/dbraw/zinc/94/79/71/492947971.db2.gz KNWYWBKXZDJOJN-QWHCGFSZSA-N -1 1 355.391 0.081 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(Cc3nccn3C)C2=O)sn1 ZINC000632200711 492949544 /nfs/dbraw/zinc/94/95/44/492949544.db2.gz KUPLZBAYRLVSBC-NSHDSACASA-N -1 1 369.472 0.655 10 0 FCAEMM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000626237611 492950552 /nfs/dbraw/zinc/95/05/52/492950552.db2.gz AICRLFSYGXDHNH-VIFPVBQESA-N -1 1 368.394 0.314 10 0 FCAEMM COC1(CS(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)CCOCC1 ZINC000632643181 493055779 /nfs/dbraw/zinc/05/57/79/493055779.db2.gz BYTMQNKFVUNSIO-JTQLQIEISA-N -1 1 372.369 0.497 10 0 FCAEMM CC[C@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000653345223 493096019 /nfs/dbraw/zinc/09/60/19/493096019.db2.gz NXSNSSGSGJRBAG-SNVBAGLBSA-N -1 1 350.343 0.565 10 0 FCAEMM CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000659408492 493167489 /nfs/dbraw/zinc/16/74/89/493167489.db2.gz VRVVESIADMFAIP-CABCVRRESA-N -1 1 371.397 0.978 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1)C1CCOCC1 ZINC000647126546 493169922 /nfs/dbraw/zinc/16/99/22/493169922.db2.gz IGWSQFAXYLRFON-AWEZNQCLSA-N -1 1 374.463 0.155 10 0 FCAEMM Cc1nc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000659229370 493175038 /nfs/dbraw/zinc/17/50/38/493175038.db2.gz VXJKSJTVTFPKTH-KNVOCYPGSA-N -1 1 373.295 0.648 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000633678461 493179753 /nfs/dbraw/zinc/17/97/53/493179753.db2.gz DTHNWZZXIZVYOQ-CYBMUJFWSA-N -1 1 350.810 0.807 10 0 FCAEMM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000681578622 493189159 /nfs/dbraw/zinc/18/91/59/493189159.db2.gz QNNUNWLDPDBVIA-ZDUSSCGKSA-N -1 1 372.491 0.762 10 0 FCAEMM O=C(C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccc([O-])cc1 ZINC000673063983 493286461 /nfs/dbraw/zinc/28/64/61/493286461.db2.gz KZZPIGJRSZOUFJ-UHFFFAOYSA-N -1 1 352.412 0.648 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000683866357 493375028 /nfs/dbraw/zinc/37/50/28/493375028.db2.gz IKJXXAFMWQZJIY-UHFFFAOYSA-N -1 1 361.106 0.495 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N2CC(C)(F)C2)cc1[N-]S(C)(=O)=O ZINC000684306295 493405504 /nfs/dbraw/zinc/40/55/04/493405504.db2.gz HDVPITWLBAZOAZ-UHFFFAOYSA-N -1 1 359.379 0.576 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)sc1C ZINC000676416760 493550351 /nfs/dbraw/zinc/55/03/51/493550351.db2.gz SDRMZRJMVWRGFG-PRHODGIISA-N -1 1 369.472 0.966 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)sc1C ZINC000676416762 493550374 /nfs/dbraw/zinc/55/03/74/493550374.db2.gz SDRMZRJMVWRGFG-UFBFGSQYSA-N -1 1 369.472 0.966 10 0 FCAEMM COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000677926495 493624804 /nfs/dbraw/zinc/62/48/04/493624804.db2.gz JYTUIKZDTYUYDZ-NSHDSACASA-N -1 1 374.401 0.353 10 0 FCAEMM Cc1nc(-c2noc(C[N-]S(=O)(=O)c3cn(C)c(C)n3)n2)[nH]c1C ZINC000665093153 493698130 /nfs/dbraw/zinc/69/81/30/493698130.db2.gz DRXBEGCAUNTFLZ-UHFFFAOYSA-N -1 1 351.392 0.597 10 0 FCAEMM COc1ccc(NC(=O)N2CCC(=O)N(C)CC2)cc1[N-]S(C)(=O)=O ZINC000666200544 493761872 /nfs/dbraw/zinc/76/18/72/493761872.db2.gz GFMQDYBXVYMVBM-UHFFFAOYSA-N -1 1 370.431 0.763 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442964879 536386336 /nfs/dbraw/zinc/38/63/36/536386336.db2.gz JJYPUYKRRHAGBH-LLVKDONJSA-N -1 1 369.805 0.521 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H](C)c3nnc[nH]3)s[n-]2)c1 ZINC000441347178 537065958 /nfs/dbraw/zinc/06/59/58/537065958.db2.gz LGTUNFVIMGBIMK-QMMMGPOBSA-N -1 1 373.398 0.570 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000594791619 546825202 /nfs/dbraw/zinc/82/52/02/546825202.db2.gz PLRGGWBQNCFHJL-UHFFFAOYSA-N -1 1 365.429 0.559 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccnn1C ZINC000594791935 546825371 /nfs/dbraw/zinc/82/53/71/546825371.db2.gz AKEZWTJMQRSEKF-KGLIPLIRSA-N -1 1 359.448 0.759 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1F)c1ccnn1C ZINC000594796014 546826445 /nfs/dbraw/zinc/82/64/45/546826445.db2.gz QXMBGVFLRZCWFW-CQSZACIVSA-N -1 1 355.391 0.935 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c(C(F)(F)F)n1 ZINC000549407687 547067233 /nfs/dbraw/zinc/06/72/33/547067233.db2.gz HADLXVWXBIEFKY-UHFFFAOYSA-N -1 1 352.294 0.609 10 0 FCAEMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000551479913 547147956 /nfs/dbraw/zinc/14/79/56/547147956.db2.gz FOVYNIZPINMOLS-UHFFFAOYSA-N -1 1 371.440 0.921 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(F)(F)F)CC2)o1 ZINC000553515527 547284404 /nfs/dbraw/zinc/28/44/04/547284404.db2.gz FABCMXUUTUMWFW-UHFFFAOYSA-N -1 1 369.321 0.116 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804690605 663228292 /nfs/dbraw/zinc/22/82/92/663228292.db2.gz BQSGDVZUDWUTMB-LLVKDONJSA-N -1 1 369.472 0.562 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(Br)n1C ZINC000311528529 664110353 /nfs/dbraw/zinc/11/03/53/664110353.db2.gz QQQYIYCCDRXTET-SSDOTTSWSA-N -1 1 351.226 0.048 10 0 FCAEMM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1n[n-]c(=S)n1C ZINC000067050140 664867908 /nfs/dbraw/zinc/86/79/08/664867908.db2.gz KSDVMPGUVDUZFE-UHFFFAOYSA-N -1 1 359.415 0.860 10 0 FCAEMM O=C([O-])[C@@H](CF)NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000908822012 666219299 /nfs/dbraw/zinc/21/92/99/666219299.db2.gz SBBQVBULQRMKMF-OAHLLOKOSA-N -1 1 352.410 0.921 10 0 FCAEMM CSC[C@@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000910877130 666286609 /nfs/dbraw/zinc/28/66/09/666286609.db2.gz FIWQINOFAMBUOG-OAHLLOKOSA-N -1 1 351.472 0.980 10 0 FCAEMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000921378092 666441942 /nfs/dbraw/zinc/44/19/42/666441942.db2.gz NMUCPZFRYLIPQN-OLZOCXBDSA-N -1 1 369.505 0.642 10 0 FCAEMM CN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)c1nn[n-]n1 ZINC000912618410 666460519 /nfs/dbraw/zinc/46/05/19/666460519.db2.gz SFZLIEGGDKACJO-UHFFFAOYSA-N -1 1 365.825 0.874 10 0 FCAEMM O=C([N-]CC1CN(C(=O)c2cccc3nc(CO)[nH]c32)C1)C(F)(F)F ZINC000913781117 666650049 /nfs/dbraw/zinc/65/00/49/666650049.db2.gz BZZSUDZIMXDLGC-UHFFFAOYSA-N -1 1 356.304 0.806 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC(N)=O)c1F ZINC000913925863 666669066 /nfs/dbraw/zinc/66/90/66/666669066.db2.gz LJKCRMXHDBADJQ-UHFFFAOYSA-N -1 1 355.185 0.751 10 0 FCAEMM CN(CCCNC(=O)NCCc1c(F)cc([O-])cc1F)S(C)(=O)=O ZINC000914174056 666719740 /nfs/dbraw/zinc/71/97/40/666719740.db2.gz GQBYMAUYEKBPLJ-UHFFFAOYSA-N -1 1 365.402 0.794 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c1F ZINC000914362729 666746043 /nfs/dbraw/zinc/74/60/43/666746043.db2.gz GBQSHZNNMKOCOA-ZCFIWIBFSA-N -1 1 367.196 0.764 10 0 FCAEMM CC[S@](=O)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000733899670 666941364 /nfs/dbraw/zinc/94/13/64/666941364.db2.gz LRARRLMTBSCQPW-FQEVSTJZSA-N -1 1 372.465 0.244 10 0 FCAEMM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1occc1Br ZINC000916260694 666997059 /nfs/dbraw/zinc/99/70/59/666997059.db2.gz PYRBRRVMZNOMGQ-QMMMGPOBSA-N -1 1 350.194 0.788 10 0 FCAEMM CC(C)(C)[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000735840252 667053359 /nfs/dbraw/zinc/05/33/59/667053359.db2.gz PKWPKKDYEJFGFD-AWEZNQCLSA-N -1 1 372.443 0.759 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736319835 667096730 /nfs/dbraw/zinc/09/67/30/667096730.db2.gz PIKOQOWRVLNIAC-JQWIXIFHSA-N -1 1 352.464 0.853 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCCC1(OC)OC)[C@@H]1CCOC1 ZINC000918062088 667098655 /nfs/dbraw/zinc/09/86/55/667098655.db2.gz ZHRUFKPEGVUPNK-MGPQQGTHSA-N -1 1 351.465 0.889 10 0 FCAEMM Cc1cc(F)ccc1[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000921566599 667137295 /nfs/dbraw/zinc/13/72/95/667137295.db2.gz FKOIQUFSURDRNU-SNVBAGLBSA-N -1 1 355.391 0.571 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000918970769 667147184 /nfs/dbraw/zinc/14/71/84/667147184.db2.gz JCRVUTOCEBCLGJ-CYBMUJFWSA-N -1 1 358.391 0.543 10 0 FCAEMM O=C1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)nc2F)CN1 ZINC000921649474 667208091 /nfs/dbraw/zinc/20/80/91/667208091.db2.gz IRUGYFGQXOXNOL-SSDOTTSWSA-N -1 1 366.212 0.788 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cn1 ZINC000921864774 667522468 /nfs/dbraw/zinc/52/24/68/667522468.db2.gz VJSTUSYLIQKGPD-GXSJLCMTSA-N -1 1 357.354 0.775 10 0 FCAEMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867016787 667718151 /nfs/dbraw/zinc/71/81/51/667718151.db2.gz UXDUHOVSQHCMKA-SSDOTTSWSA-N -1 1 363.383 0.540 10 0 FCAEMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867016788 667718286 /nfs/dbraw/zinc/71/82/86/667718286.db2.gz UXDUHOVSQHCMKA-ZETCQYMHSA-N -1 1 363.383 0.540 10 0 FCAEMM C[C@@H](COC(=O)c1sccc1[N-]S(C)(=O)=O)CS(C)(=O)=O ZINC000758000063 667740734 /nfs/dbraw/zinc/74/07/34/667740734.db2.gz OPMIVNZFYYGGDD-QMMMGPOBSA-N -1 1 355.459 0.957 10 0 FCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000758500352 667767645 /nfs/dbraw/zinc/76/76/45/667767645.db2.gz XKMIHXBTLPBTMA-GZTOBOFZSA-N -1 1 364.217 0.873 10 0 FCAEMM O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)NN1CC(=O)[N-]C1=O ZINC000770546730 668202393 /nfs/dbraw/zinc/20/23/93/668202393.db2.gz UZWBSJRVCAJMOC-QHCPKHFHSA-N -1 1 350.278 0.902 10 0 FCAEMM O=C(OCCOCC[N-]C(=O)C(F)(F)F)[C@H]1CC(=O)N(C2CC2)C1 ZINC000782648621 668573978 /nfs/dbraw/zinc/57/39/78/668573978.db2.gz FLIRLCUFCYQCES-VIFPVBQESA-N -1 1 352.309 0.236 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCc3ccccc32)o1 ZINC000786199113 668750221 /nfs/dbraw/zinc/75/02/21/668750221.db2.gz CCZXQKIJMAYXLV-LBPRGKRZSA-N -1 1 364.379 0.888 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCCO2)o1 ZINC000786201576 668750546 /nfs/dbraw/zinc/75/05/46/668750546.db2.gz UYOILKQNHIVWPT-JTQLQIEISA-N -1 1 360.388 0.159 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc1 ZINC000793190509 668914578 /nfs/dbraw/zinc/91/45/78/668914578.db2.gz PBYSAIXVRRSDAC-UHFFFAOYSA-N -1 1 358.379 0.813 10 0 FCAEMM CN(C)Cc1cc(CNC(=O)C(=O)[N-]OC2CCOCC2)ccc1F ZINC000806040381 668937402 /nfs/dbraw/zinc/93/74/02/668937402.db2.gz GNFVCCVZXGFYMR-UHFFFAOYSA-N -1 1 353.394 0.730 10 0 FCAEMM COc1ncc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1Br ZINC000819257502 668992396 /nfs/dbraw/zinc/99/23/96/668992396.db2.gz WVSAJCKIBAKFPT-VIFPVBQESA-N -1 1 369.179 0.580 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCOC2=O)c(F)cc1Cl ZINC000795758871 669060210 /nfs/dbraw/zinc/06/02/10/669060210.db2.gz ISGHINFPADBQLJ-VIFPVBQESA-N -1 1 351.739 0.860 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(N)=O ZINC000795896037 669070066 /nfs/dbraw/zinc/07/00/66/669070066.db2.gz KPWVMPGAAUJKQP-SECBINFHSA-N -1 1 368.770 0.044 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798462182 669239690 /nfs/dbraw/zinc/23/96/90/669239690.db2.gz CIFYSVCHWDIHPA-ONGXEEELSA-N -1 1 358.382 0.884 10 0 FCAEMM CCn1nc(C)c(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)n1 ZINC000827701587 669592002 /nfs/dbraw/zinc/59/20/02/669592002.db2.gz JCIBTXDZFGVQFB-UHFFFAOYSA-N -1 1 355.420 0.688 10 0 FCAEMM CC[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OC ZINC000828049540 669612795 /nfs/dbraw/zinc/61/27/95/669612795.db2.gz ZBZNINMNFKCZJU-MRVPVSSYSA-N -1 1 368.253 0.969 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1ccnn1C ZINC000828127479 669618503 /nfs/dbraw/zinc/61/85/03/669618503.db2.gz OKWMJFABGCHPMK-ZDUSSCGKSA-N -1 1 365.367 0.283 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)c1ccnn1C ZINC000828132685 669619015 /nfs/dbraw/zinc/61/90/15/669619015.db2.gz MXRHNOSPMRMCBG-GJZGRUSLSA-N -1 1 367.427 0.941 10 0 FCAEMM Cn1cc(C[C@@H](O)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000812277121 669794487 /nfs/dbraw/zinc/79/44/87/669794487.db2.gz ROBGOEBKOUMMCM-ZYHUDNBSSA-N -1 1 362.352 0.241 10 0 FCAEMM O=C(Nc1nc(Br)ccc1[O-])C1(n2cnnn2)CCOCC1 ZINC000834297836 669943131 /nfs/dbraw/zinc/94/31/31/669943131.db2.gz FWUSPZOLFYNTMY-UHFFFAOYSA-N -1 1 369.179 0.681 10 0 FCAEMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000867115501 669982407 /nfs/dbraw/zinc/98/24/07/669982407.db2.gz SBJLPXNDKGLIPK-NSHDSACASA-N -1 1 371.337 0.439 10 0 FCAEMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1COC(=O)N1)C(F)(F)F ZINC000817677920 670026534 /nfs/dbraw/zinc/02/65/34/670026534.db2.gz ORMFDZAXSJJSSM-NXEZZACHSA-N -1 1 357.288 0.731 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCOC(F)(F)F)c(Br)n1 ZINC000867172933 670043546 /nfs/dbraw/zinc/04/35/46/670043546.db2.gz LBYSRQLMPAFHOZ-UHFFFAOYSA-N -1 1 352.132 0.997 10 0 FCAEMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867213669 670079069 /nfs/dbraw/zinc/07/90/69/670079069.db2.gz AQDFRSFQPLDIRB-SNVBAGLBSA-N -1 1 368.381 0.976 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000867259441 670547293 /nfs/dbraw/zinc/54/72/93/670547293.db2.gz MADHOVKFLBNWCR-IPQOISQHSA-N -1 1 366.509 0.619 10 0 FCAEMM Cc1ccc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)nn1 ZINC000867266458 670605628 /nfs/dbraw/zinc/60/56/28/670605628.db2.gz RGEKQXCSDNQVKB-JTQLQIEISA-N -1 1 354.354 0.326 10 0 FCAEMM COCCOc1cncc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843013894 670766176 /nfs/dbraw/zinc/76/61/76/670766176.db2.gz LCXHWSCXZNSXBB-UHFFFAOYSA-N -1 1 371.459 0.651 10 0 FCAEMM COC(=O)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1 ZINC000843014834 670766540 /nfs/dbraw/zinc/76/65/40/670766540.db2.gz RORSZLVOZUMIRK-JOCQHMNTSA-N -1 1 360.476 0.896 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)COCC(=O)OC(C)(C)C)CCC1 ZINC000843015186 670766639 /nfs/dbraw/zinc/76/66/39/670766639.db2.gz RANHYELFEKIUQK-UHFFFAOYSA-N -1 1 364.464 0.275 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCC1 ZINC000843017261 670767535 /nfs/dbraw/zinc/76/75/35/670767535.db2.gz AXKSXVRNDWBGJX-AWEZNQCLSA-N -1 1 371.503 0.565 10 0 FCAEMM CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C1CCCC1 ZINC000843017407 670767820 /nfs/dbraw/zinc/76/78/20/670767820.db2.gz DBYYSIGNZAREDL-AWEZNQCLSA-N -1 1 359.492 0.612 10 0 FCAEMM C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017794 670767910 /nfs/dbraw/zinc/76/79/10/670767910.db2.gz KBHVJJVYNQUORI-ZDUSSCGKSA-N -1 1 367.471 0.735 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCC(=O)N3)CCC1 ZINC000843017483 670768007 /nfs/dbraw/zinc/76/80/07/670768007.db2.gz GOBCIKGXHZNJOZ-UHFFFAOYSA-N -1 1 367.427 0.561 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H](O)C(F)F ZINC000867331053 670846831 /nfs/dbraw/zinc/84/68/31/670846831.db2.gz OCGHAQMZOZOORV-FSPLSTOPSA-N -1 1 362.196 0.866 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)[C@@H](O)C(F)F ZINC000867331285 670847986 /nfs/dbraw/zinc/84/79/86/670847986.db2.gz RQDOCSKSXMPXOW-IYSWYEEDSA-N -1 1 362.196 0.866 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)c1C(F)(F)F ZINC000867378181 670961046 /nfs/dbraw/zinc/96/10/46/670961046.db2.gz SWRVDTMHZNJQQM-DTWKUNHWSA-N -1 1 366.365 0.871 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)c(=O)n(C)c1=O ZINC000845979116 671060334 /nfs/dbraw/zinc/06/03/34/671060334.db2.gz GVEKHDHEGVKHKZ-VXGBXAGGSA-N -1 1 353.803 0.067 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847389564 671188806 /nfs/dbraw/zinc/18/88/06/671188806.db2.gz MJWLKCHWXYMOOQ-NXEZZACHSA-N -1 1 368.356 0.637 10 0 FCAEMM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000849424463 671341583 /nfs/dbraw/zinc/34/15/83/671341583.db2.gz ZQQMACZOHQRHEK-MXWKQRLJSA-N -1 1 351.856 0.918 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000849431560 671342742 /nfs/dbraw/zinc/34/27/42/671342742.db2.gz AWNJTSNDIUTKHV-JGVFFNPUSA-N -1 1 355.199 0.997 10 0 FCAEMM CN(C)C(=O)C1CCC(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1 ZINC000851103352 671428392 /nfs/dbraw/zinc/42/83/92/671428392.db2.gz CHLUIVOINNTFRB-UHFFFAOYSA-N -1 1 373.519 0.811 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc[n+]1[O-] ZINC000851699372 671459784 /nfs/dbraw/zinc/45/97/84/671459784.db2.gz BTWOHAUGCUMCQD-PSASIEDQSA-N -1 1 361.276 0.056 10 0 FCAEMM CCc1ocnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704629 671462442 /nfs/dbraw/zinc/46/24/42/671462442.db2.gz YWLZQLGSYXNHTO-OIBJUYFYSA-N -1 1 363.292 0.973 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851882850 671476244 /nfs/dbraw/zinc/47/62/44/671476244.db2.gz IRDCTYIZCFAMEU-RCWTZXSCSA-N -1 1 358.382 0.883 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])ncn1 ZINC000852958129 671533982 /nfs/dbraw/zinc/53/39/82/671533982.db2.gz DRABEWKELALLQX-SCZZXKLOSA-N -1 1 360.292 0.521 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCCC1)OC ZINC000853205013 671541701 /nfs/dbraw/zinc/54/17/01/671541701.db2.gz BCTZNWDRSARKHU-ZIAGYGMSSA-N -1 1 350.481 0.604 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1)OC ZINC000853209346 671543342 /nfs/dbraw/zinc/54/33/42/671543342.db2.gz JCVJJHKNLONHIJ-FZMZJTMJSA-N -1 1 354.444 0.306 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO ZINC000855748275 671662864 /nfs/dbraw/zinc/66/28/64/671662864.db2.gz HONBEMCYDHNXRI-SCZZXKLOSA-N -1 1 354.325 0.359 10 0 FCAEMM C[C@H](O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000855748761 671662923 /nfs/dbraw/zinc/66/29/23/671662923.db2.gz PYSPBFDUWQCNKC-AEJSXWLSSA-N -1 1 368.352 0.747 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)o1 ZINC000855787761 671663814 /nfs/dbraw/zinc/66/38/14/671663814.db2.gz XJPAIZRXSVKSKY-SKDRFNHKSA-N -1 1 350.343 0.732 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2Cc3ccccc32)o1 ZINC000803501481 675931426 /nfs/dbraw/zinc/93/14/26/675931426.db2.gz HITGJSMBDPOIAW-LLVKDONJSA-N -1 1 364.379 0.540 10 0 FCAEMM CCOCCn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cn1 ZINC000857033726 671714318 /nfs/dbraw/zinc/71/43/18/671714318.db2.gz JVMUGZCFWVZKSJ-UHFFFAOYSA-N -1 1 358.464 0.464 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CCS(=O)(=O)C2CCCCC2)n1 ZINC000857222202 671720788 /nfs/dbraw/zinc/72/07/88/671720788.db2.gz HUIBIELKIDKEQT-UHFFFAOYSA-N -1 1 364.445 0.718 10 0 FCAEMM CCC[C@@H](NC(=O)c1c(Br)nc2n1CCOC2)c1nn[n-]n1 ZINC000857713362 671733842 /nfs/dbraw/zinc/73/38/42/671733842.db2.gz HURKCEPCZLAUDY-SSDOTTSWSA-N -1 1 370.211 0.960 10 0 FCAEMM C[C@@H]1CCN(C(=O)NC[C@H]2COCCN2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000858837922 671779241 /nfs/dbraw/zinc/77/92/41/671779241.db2.gz VLVNISLRTORMJG-WOPDTQHZSA-N -1 1 366.384 0.416 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1ccc(Br)nc1F ZINC000858873123 671780542 /nfs/dbraw/zinc/78/05/42/671780542.db2.gz PJFCCRRTHSSKAO-ZCFIWIBFSA-N -1 1 373.225 0.449 10 0 FCAEMM O=C(NCC[N-]S(=O)(=O)c1ccc(Br)nc1F)C1CC1 ZINC000858881547 671780839 /nfs/dbraw/zinc/78/08/39/671780839.db2.gz BMYUZOSLNDCZQN-UHFFFAOYSA-N -1 1 366.212 0.788 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000116405377 671781397 /nfs/dbraw/zinc/78/13/97/671781397.db2.gz IFGLVOADZAPFKI-SECBINFHSA-N -1 1 356.325 0.906 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000859202501 671800357 /nfs/dbraw/zinc/80/03/57/671800357.db2.gz BTJDMYRLMYXFCV-UHFFFAOYSA-N -1 1 366.342 0.440 10 0 FCAEMM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000859287298 671810134 /nfs/dbraw/zinc/81/01/34/671810134.db2.gz MAXYMHHOKXIDMI-QMMMGPOBSA-N -1 1 353.322 0.979 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CS(=O)(=O)N(C)C)c1 ZINC000861145919 671940785 /nfs/dbraw/zinc/94/07/85/671940785.db2.gz JPLQWFJNVGQDHP-XFNZEKPQSA-N -1 1 363.457 0.626 10 0 FCAEMM COC(=O)[C@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCCC(C)(C)C1 ZINC000862728901 672069701 /nfs/dbraw/zinc/06/97/01/672069701.db2.gz IDWVMPCONDVTAQ-KRWDZBQOSA-N -1 1 351.403 0.555 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC[S@](=O)Cc1ccccc1 ZINC000866754910 672298920 /nfs/dbraw/zinc/29/89/20/672298920.db2.gz MSEDOFLWXYRLKY-VQTJNVASSA-N -1 1 352.503 0.887 10 0 FCAEMM CN1C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCC1=O ZINC000866823869 672313495 /nfs/dbraw/zinc/31/34/95/672313495.db2.gz PUMXHHCZBHVZFL-MGUXCZDKSA-N -1 1 363.436 0.738 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)NCC[S@](=O)CC(F)(F)F)c1 ZINC000867497749 672326316 /nfs/dbraw/zinc/32/63/16/672326316.db2.gz RYEAGZPSBVTWJX-NRFANRHFSA-N -1 1 361.363 0.990 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000867529727 672332052 /nfs/dbraw/zinc/33/20/52/672332052.db2.gz MRMAETUZAQGTPE-VJBOLBCHSA-N -1 1 365.521 0.582 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867562760 672337603 /nfs/dbraw/zinc/33/76/03/672337603.db2.gz SLOYHGGRFOZLCY-ZJUUUORDSA-N -1 1 364.370 0.996 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867562758 672337612 /nfs/dbraw/zinc/33/76/12/672337612.db2.gz SLOYHGGRFOZLCY-UWVGGRQHSA-N -1 1 364.370 0.996 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000867763451 672364847 /nfs/dbraw/zinc/36/48/47/672364847.db2.gz YXMMZQBTTLWSIC-LLVKDONJSA-N -1 1 365.354 0.938 10 0 FCAEMM O=C1COC[C@]2(C[N-]S(=O)(=O)c3cc4ccccc4o3)COCCN12 ZINC000867792177 672368075 /nfs/dbraw/zinc/36/80/75/672368075.db2.gz UVYPSLYCWXWJOA-INIZCTEOSA-N -1 1 366.395 0.339 10 0 FCAEMM COC1(CS(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCOCC1 ZINC000867900138 672379983 /nfs/dbraw/zinc/37/99/83/672379983.db2.gz CIGXYQKFMNHSIO-UHFFFAOYSA-N -1 1 374.381 0.122 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@H](CN2CCOCC2)C1 ZINC000870062321 672464655 /nfs/dbraw/zinc/46/46/55/672464655.db2.gz SIKDFPOBHUGLHG-CYBMUJFWSA-N -1 1 363.443 0.191 10 0 FCAEMM CCO[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C1CCOCC1 ZINC000870447626 672493264 /nfs/dbraw/zinc/49/32/64/672493264.db2.gz VKYFBYPECSGBLA-CQSZACIVSA-N -1 1 362.492 0.748 10 0 FCAEMM CCO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000870447805 672493274 /nfs/dbraw/zinc/49/32/74/672493274.db2.gz YYYJRJGTSMBDBM-UONOGXRCSA-N -1 1 362.492 0.748 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCNC(=O)CC12CCOCC2 ZINC000871367360 672541824 /nfs/dbraw/zinc/54/18/24/672541824.db2.gz WLGKLWPUQFKKIB-UHFFFAOYSA-N -1 1 361.427 0.529 10 0 FCAEMM COC[C@@]1(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CNCCO1 ZINC000871669888 672566096 /nfs/dbraw/zinc/56/60/96/672566096.db2.gz ZUZFUJKSQBZGDI-CRAIPNDOSA-N -1 1 350.415 0.584 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@]1(C(F)(F)F)CCCN1 ZINC000923683891 673120649 /nfs/dbraw/zinc/12/06/49/673120649.db2.gz PTCJDHQVYNYFTH-JTQLQIEISA-N -1 1 373.378 0.893 10 0 FCAEMM COC(=O)c1ccnc(S(=O)(=O)[N-]C[C@]2(C(F)(F)F)CCCN2)c1 ZINC000923684185 673448623 /nfs/dbraw/zinc/44/86/23/673448623.db2.gz BMDAMNUQOIHIOQ-LBPRGKRZSA-N -1 1 367.349 0.831 10 0 FCAEMM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927784348 673881203 /nfs/dbraw/zinc/88/12/03/673881203.db2.gz FLTXQAGBFDYPHP-GXSJLCMTSA-N -1 1 358.341 0.778 10 0 FCAEMM C[C@H](Cn1cccn1)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929400708 673954063 /nfs/dbraw/zinc/95/40/63/673954063.db2.gz FLXRXUMPOLEDKR-SNVBAGLBSA-N -1 1 352.341 0.731 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000801362137 675778024 /nfs/dbraw/zinc/77/80/24/675778024.db2.gz FCUYAZJQUJFHPZ-UHFFFAOYSA-N -1 1 369.399 0.683 10 0 FCAEMM Cc1cccc([C@H]2C(=O)NCCN2C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC001167730888 1182923173 /nfs/dbraw/zinc/92/31/73/1182923173.db2.gz NVTOUYHOJLWHGH-KRWDZBQOSA-N -1 1 368.393 0.525 10 0 FCAEMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001625901720 1183272468 /nfs/dbraw/zinc/27/24/68/1183272468.db2.gz PNHCMUOXQDVNQM-MCIONIFRSA-N -1 1 366.418 0.361 10 0 FCAEMM CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719842551 1186268849 /nfs/dbraw/zinc/26/88/49/1186268849.db2.gz BZYCVOQBWHLBEU-WOPDTQHZSA-N -1 1 367.427 0.084 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC001687391007 1188352367 /nfs/dbraw/zinc/35/23/67/1188352367.db2.gz PEIFPASVPASTBD-KBPBESRZSA-N -1 1 364.402 0.344 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NCC1(CO)CC2(CCC2)C1 ZINC001687391244 1188352871 /nfs/dbraw/zinc/35/28/71/1188352871.db2.gz WKBCGRHYOGJZQC-UHFFFAOYSA-N -1 1 362.430 0.997 10 0 FCAEMM C[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H]1CCO ZINC001687391339 1188352890 /nfs/dbraw/zinc/35/28/90/1188352890.db2.gz ZDDXLXOIRLQGGP-SMDDNHRTSA-N -1 1 350.419 0.947 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@](C)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O ZINC001270991564 1189469768 /nfs/dbraw/zinc/46/97/68/1189469768.db2.gz PHXKPTGPNQACIC-ZUMXRPEOSA-N -1 1 363.462 0.394 10 0 FCAEMM O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000910686532 1195833592 /nfs/dbraw/zinc/83/35/92/1195833592.db2.gz CVDRCTRLNRPQDI-DOTOQJQBSA-N -1 1 371.441 0.212 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)COc2ccc3ccc(=O)oc3c2)n[n-]1 ZINC000787905429 1200917252 /nfs/dbraw/zinc/91/72/52/1200917252.db2.gz GFODJZWFJQUALB-UHFFFAOYSA-N -1 1 372.337 0.783 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)COc2ccc3ccc(=O)oc3c2)n1 ZINC000787905429 1200917256 /nfs/dbraw/zinc/91/72/56/1200917256.db2.gz GFODJZWFJQUALB-UHFFFAOYSA-N -1 1 372.337 0.783 10 0 FCAEMM COc1ccc(-n2cc([O-])c(C(=O)OCC(=O)c3cnn(C)n3)n2)cc1 ZINC000792296107 1201183241 /nfs/dbraw/zinc/18/32/41/1201183241.db2.gz XWZPZBNMBWMZGF-UHFFFAOYSA-N -1 1 357.326 0.755 10 0 FCAEMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc2c(c1)OCO2 ZINC000806835472 1202781025 /nfs/dbraw/zinc/78/10/25/1202781025.db2.gz KZPJZCWOCYXNIE-JTQLQIEISA-N -1 1 367.365 0.886 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc2c(c1)OCO2 ZINC000806835473 1202781455 /nfs/dbraw/zinc/78/14/55/1202781455.db2.gz KZPJZCWOCYXNIE-SNVBAGLBSA-N -1 1 367.365 0.886 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747382114 1202813561 /nfs/dbraw/zinc/81/35/61/1202813561.db2.gz LVQWXTKGAJZUTR-LLVKDONJSA-N -1 1 363.418 0.081 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN[C@H](Cc2ccccc2)C1 ZINC001170549484 1202879567 /nfs/dbraw/zinc/87/95/67/1202879567.db2.gz WQXBGWNINDTYEM-CQSZACIVSA-N -1 1 352.398 0.114 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](Cc1ccccc1)c1ncon1 ZINC001143965159 1204404245 /nfs/dbraw/zinc/40/42/45/1204404245.db2.gz GPLXNIMLJJKDHF-CYBMUJFWSA-N -1 1 355.354 0.410 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000846593560 1204643016 /nfs/dbraw/zinc/64/30/16/1204643016.db2.gz WQMRIGNHKGTLAI-UHFFFAOYSA-N -1 1 367.308 0.607 10 0 FCAEMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175215204 1206301817 /nfs/dbraw/zinc/30/18/17/1206301817.db2.gz XRSQVYYESMINLG-CQSZACIVSA-N -1 1 362.430 0.908 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001176593840 1206315338 /nfs/dbraw/zinc/31/53/38/1206315338.db2.gz JSMKZFIEZKQWAO-LLVKDONJSA-N -1 1 363.422 0.437 10 0 FCAEMM CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001177685206 1206344476 /nfs/dbraw/zinc/34/44/76/1206344476.db2.gz GOTIDBIOYJYJOA-NSHDSACASA-N -1 1 362.342 0.668 10 0 FCAEMM COC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1nn[n-]n1 ZINC001177828868 1206346780 /nfs/dbraw/zinc/34/67/80/1206346780.db2.gz RGGSGNRBQOMFQU-AWEZNQCLSA-N -1 1 358.402 0.556 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nn[n-]n1 ZINC001177826699 1206346881 /nfs/dbraw/zinc/34/68/81/1206346881.db2.gz AAWFTVFWFRSDDF-TZMCWYRMSA-N -1 1 373.417 0.019 10 0 FCAEMM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001188879071 1207484378 /nfs/dbraw/zinc/48/43/78/1207484378.db2.gz FDJKIPKFCXPHPS-AWEZNQCLSA-N -1 1 372.303 0.486 10 0 FCAEMM O=C(NCC(F)F)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001489872690 1209131015 /nfs/dbraw/zinc/13/10/15/1209131015.db2.gz OZZCCDMHWLGBFI-VHSXEESVSA-N -1 1 370.356 0.183 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001489981188 1209185888 /nfs/dbraw/zinc/18/58/88/1209185888.db2.gz WUWFGQLLMHPRJM-VHSXEESVSA-N -1 1 368.390 0.042 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cnccc2=O)CCN1C(=O)c1ncccc1[O-] ZINC001490127397 1209268436 /nfs/dbraw/zinc/26/84/36/1209268436.db2.gz SUXRPWPMVWTJNN-OLZOCXBDSA-N -1 1 371.397 0.153 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@]34OCCC[C@H]3C4(F)F)ccnc1-2 ZINC000850651455 1209474704 /nfs/dbraw/zinc/47/47/04/1209474704.db2.gz VPRRLDFHHPJPSF-ABAIWWIYSA-N -1 1 365.340 0.211 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000851703276 1209517083 /nfs/dbraw/zinc/51/70/83/1209517083.db2.gz OUKSMBMLXNGGME-GXSJLCMTSA-N -1 1 374.319 0.635 10 0 FCAEMM CN1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)NC1=O ZINC000854966759 1209652989 /nfs/dbraw/zinc/65/29/89/1209652989.db2.gz ONVLFDFFUSXKQG-MNOVXSKESA-N -1 1 370.331 0.646 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415884 1209710188 /nfs/dbraw/zinc/71/01/88/1209710188.db2.gz IKUPDINCKKOCJI-BBBLOLIVSA-N -1 1 374.367 0.126 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000863861451 1209954478 /nfs/dbraw/zinc/95/44/78/1209954478.db2.gz XOUBRCAGRHDKAG-KCRLFOLJSA-N -1 1 355.354 0.126 10 0 FCAEMM Cc1cccc(CN2CCO[C@@H](CNC(=O)CCCc3nn[n-]n3)C2)c1 ZINC000826551659 1210852317 /nfs/dbraw/zinc/85/23/17/1210852317.db2.gz ONXLUXKEZAQXDD-INIZCTEOSA-N -1 1 358.446 0.848 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000777361369 1210994090 /nfs/dbraw/zinc/99/40/90/1210994090.db2.gz UCJTZABPMBXJAI-UHFFFAOYSA-N -1 1 372.385 0.646 10 0 FCAEMM O=C(NCCOC[C@H]1CCOC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930015615 1211682748 /nfs/dbraw/zinc/68/27/48/1211682748.db2.gz NWKARIMPMQRCDH-NSHDSACASA-N -1 1 372.368 0.498 10 0 FCAEMM O=C(COC(=O)c1cc2c(cn1)nc[nH]c2=O)[N-]C(=O)c1ccccc1 ZINC000778471197 1211892337 /nfs/dbraw/zinc/89/23/37/1211892337.db2.gz DRIVAYIKMDIZGR-UHFFFAOYSA-N -1 1 352.306 0.844 10 0 FCAEMM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900984927 1218066377 /nfs/dbraw/zinc/06/63/77/1218066377.db2.gz QXDPNSLPNABROD-GFCCVEGCSA-N -1 1 363.389 0.845 10 0 FCAEMM Cn1ccc(Nc2ccc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cc2)n1 ZINC000826833502 1218907493 /nfs/dbraw/zinc/90/74/93/1218907493.db2.gz DNBHVWHIXBVELF-CYBMUJFWSA-N -1 1 354.374 0.891 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000749986264 1219834615 /nfs/dbraw/zinc/83/46/15/1219834615.db2.gz VFGMVNTZCUIXDV-BZNIZROVSA-N -1 1 366.422 0.747 10 0 FCAEMM CN(C)c1ncn(-c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)n1 ZINC000799723569 1221313465 /nfs/dbraw/zinc/31/34/65/1221313465.db2.gz MNFFNHMZNRKEAZ-UHFFFAOYSA-N -1 1 369.385 0.212 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCOC[C@@H]1C ZINC001116773777 1221389842 /nfs/dbraw/zinc/38/98/42/1221389842.db2.gz QMUFBROTSKHYKS-WFASDCNBSA-N -1 1 364.446 0.801 10 0 FCAEMM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001116837645 1221394277 /nfs/dbraw/zinc/39/42/77/1221394277.db2.gz JOUIHBUYOQQQCB-LIRRHRJNSA-N -1 1 371.393 0.224 10 0 FCAEMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001118976953 1221852604 /nfs/dbraw/zinc/85/26/04/1221852604.db2.gz VBHGFCVJYZODQS-KGLIPLIRSA-N -1 1 367.446 0.021 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)/C=C\c3ccc4c(c3)OCO4)CC2)CCOC1 ZINC001119574498 1221934710 /nfs/dbraw/zinc/93/47/10/1221934710.db2.gz CZGNMBIUVVOYJR-VSERLBFKSA-N -1 1 374.393 0.816 10 0 FCAEMM Cn1ncc(C(=O)[O-])c1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC001119602532 1221939335 /nfs/dbraw/zinc/93/93/35/1221939335.db2.gz PYNFNQLKBUNFDW-UHFFFAOYSA-N -1 1 371.441 0.666 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C)CC1 ZINC001119642235 1221944447 /nfs/dbraw/zinc/94/44/47/1221944447.db2.gz SOANJKIZFJRTAM-CYBMUJFWSA-N -1 1 364.446 0.897 10 0 FCAEMM O=C(CCc1nn[n-]n1)N(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC001137619092 1222404622 /nfs/dbraw/zinc/40/46/22/1222404622.db2.gz VQTIZASMIUXXRP-UHFFFAOYSA-N -1 1 355.402 0.398 10 0 FCAEMM CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nc2ncnn21 ZINC001137730525 1222424837 /nfs/dbraw/zinc/42/48/37/1222424837.db2.gz NBSFDJUYUJGGAI-SNVBAGLBSA-N -1 1 355.406 0.955 10 0 FCAEMM Cn1cc([C@H](NC(=O)CNC(=O)c2ncccc2[O-])C2(CO)CCC2)cn1 ZINC001141342959 1222654895 /nfs/dbraw/zinc/65/48/95/1222654895.db2.gz IWGBPPIPNUSKLO-INIZCTEOSA-N -1 1 373.413 0.271 10 0 FCAEMM COC(=O)c1ccc(C(=O)O[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)[n-]1 ZINC000849782382 1245414993 /nfs/dbraw/zinc/41/49/93/1245414993.db2.gz XONIBBCQTJDCEM-GFCCVEGCSA-N -1 1 366.370 0.901 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(C(=O)NC1CCN(Cc3ccncc3)CC1)C2 ZINC001327819401 1265434809 /nfs/dbraw/zinc/43/48/09/1265434809.db2.gz QZWNNLSXUYEWSX-DNVCBOLYSA-N -1 1 374.441 0.789 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@H](C)COC ZINC001515229216 1265470843 /nfs/dbraw/zinc/47/08/43/1265470843.db2.gz XKXWHQMFWSTZMO-UMVBOHGHSA-N -1 1 365.430 0.663 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001519770842 1265769747 /nfs/dbraw/zinc/76/97/47/1265769747.db2.gz SYMKPURLVKCBTI-RWMBFGLXSA-N -1 1 362.430 0.811 10 0 FCAEMM CC/C(C)=C\C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001520904431 1266036160 /nfs/dbraw/zinc/03/61/60/1266036160.db2.gz WEHJFADGVDHAQH-XJMUJKMXSA-N -1 1 364.402 0.972 10 0 FCAEMM COCCCn1nc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1=O ZINC001330803599 1266101048 /nfs/dbraw/zinc/10/10/48/1266101048.db2.gz AQROZFDDOVCUPQ-LLVKDONJSA-N -1 1 363.374 0.388 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC001521743468 1266169963 /nfs/dbraw/zinc/16/99/63/1266169963.db2.gz LOFJMZSHZCFTSW-SNVBAGLBSA-N -1 1 351.432 0.799 10 0 FCAEMM Cn1cnnc1[C@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235548259 1259577490 /nfs/dbraw/zinc/57/74/90/1259577490.db2.gz ZIHPMCIFVAFOTF-GFCCVEGCSA-N -1 1 359.390 0.430 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001521988392 1266280130 /nfs/dbraw/zinc/28/01/30/1266280130.db2.gz QWBYUKYRQBTJEG-FAHYXWLWSA-N -1 1 359.426 0.894 10 0 FCAEMM CC(=O)NC[C@@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254496595 1259888525 /nfs/dbraw/zinc/88/85/25/1259888525.db2.gz FMFHYUXCTFDOEW-LBPRGKRZSA-N -1 1 363.418 0.455 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nnn1Cc1ccncc1 ZINC001257460595 1260015025 /nfs/dbraw/zinc/01/50/25/1260015025.db2.gz XULVSIAFRQMBIQ-ZDUSSCGKSA-N -1 1 353.390 0.563 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)[C@H](F)Cc2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264175593 1260371400 /nfs/dbraw/zinc/37/14/00/1260371400.db2.gz QFCPFCRYONBJHC-YUELXQCFSA-N -1 1 361.421 0.768 10 0 FCAEMM Cc1cnc(CN2CC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C)o1 ZINC001264723440 1260402077 /nfs/dbraw/zinc/40/20/77/1260402077.db2.gz HGSDFFSTQJUBLB-OLZOCXBDSA-N -1 1 361.402 0.002 10 0 FCAEMM CO[C@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C1CCCCC1 ZINC001264736614 1260406991 /nfs/dbraw/zinc/40/69/91/1260406991.db2.gz WWLJZGKVGNAHEB-INWMFGNUSA-N -1 1 365.478 0.783 10 0 FCAEMM NS(=O)(=O)N1CCC(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001472040275 1261427198 /nfs/dbraw/zinc/42/71/98/1261427198.db2.gz ASHWIZWJONYQLF-UHFFFAOYSA-N -1 1 363.386 0.245 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001282436927 1261452315 /nfs/dbraw/zinc/45/23/15/1261452315.db2.gz AKGOZNNZUFBALI-BWQRHGBYSA-N -1 1 373.457 0.774 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cnc3c(c2)nnn3C)[n-]c1=O ZINC001472258327 1261455663 /nfs/dbraw/zinc/45/56/63/1261455663.db2.gz KKYKSLUNRYLXNJ-LLVKDONJSA-N -1 1 355.358 0.845 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)n1 ZINC001472498792 1261472034 /nfs/dbraw/zinc/47/20/34/1261472034.db2.gz TVQNRKIOSDXLTH-LURJTMIESA-N -1 1 352.298 0.537 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)[n-]1 ZINC001472498792 1261472036 /nfs/dbraw/zinc/47/20/36/1261472036.db2.gz TVQNRKIOSDXLTH-LURJTMIESA-N -1 1 352.298 0.537 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C[C@@H](n2ccnc2)C(F)(F)F)n1 ZINC001472498793 1261472069 /nfs/dbraw/zinc/47/20/69/1261472069.db2.gz TVQNRKIOSDXLTH-ZCFIWIBFSA-N -1 1 352.298 0.537 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C[C@@H](n2ccnc2)C(F)(F)F)[n-]1 ZINC001472498793 1261472075 /nfs/dbraw/zinc/47/20/75/1261472075.db2.gz TVQNRKIOSDXLTH-ZCFIWIBFSA-N -1 1 352.298 0.537 10 0 FCAEMM O=C(CCn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282699034 1261589287 /nfs/dbraw/zinc/58/92/87/1261589287.db2.gz XBNGYVMURLRLGS-MCIONIFRSA-N -1 1 355.398 0.936 10 0 FCAEMM CCOCCC(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001345262146 1261658191 /nfs/dbraw/zinc/65/81/91/1261658191.db2.gz CNCXQPYDUGDKOH-ZJUUUORDSA-N -1 1 368.390 0.042 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](CO)NCc1cc(=O)n2[n-]ccc2n1 ZINC001283783118 1261705496 /nfs/dbraw/zinc/70/54/96/1261705496.db2.gz VWELAXLYBRBMEY-QEJZJMRPSA-N -1 1 359.430 0.026 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001286098418 1261911767 /nfs/dbraw/zinc/91/17/67/1261911767.db2.gz XWNIQEUNTOEUSS-VFVRVIDISA-N -1 1 362.430 0.080 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1cnn(C)c1 ZINC001289322294 1262172974 /nfs/dbraw/zinc/17/29/74/1262172974.db2.gz HBIUZKPQFFLIEE-TZMCWYRMSA-N -1 1 357.414 0.730 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C=C(C)C)C1 ZINC001290087462 1262377665 /nfs/dbraw/zinc/37/76/65/1262377665.db2.gz NXQWRJIWQFZYBQ-WDEREUQCSA-N -1 1 364.402 0.877 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001290119809 1262383451 /nfs/dbraw/zinc/38/34/51/1262383451.db2.gz UTDBRDAORDFGAI-NWDGAFQWSA-N -1 1 360.414 0.328 10 0 FCAEMM CC(C)=CC(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001290176382 1262396399 /nfs/dbraw/zinc/39/63/99/1262396399.db2.gz SJRVMNWCYOEKOJ-UONOGXRCSA-N -1 1 362.430 0.294 10 0 FCAEMM CCO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](OCC)C1 ZINC001290247876 1262409661 /nfs/dbraw/zinc/40/96/61/1262409661.db2.gz DQAUVQPEQRPRLS-GZBFAFLISA-N -1 1 365.430 0.806 10 0 FCAEMM Cc1nccn1-c1ncccc1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC001291934404 1262614789 /nfs/dbraw/zinc/61/47/89/1262614789.db2.gz BSZNGCLMYQEHPG-UHFFFAOYSA-N -1 1 366.381 0.723 10 0 FCAEMM CC(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001292027078 1262632319 /nfs/dbraw/zinc/63/23/19/1262632319.db2.gz CFMZDUVAARMYBM-MCIONIFRSA-N -1 1 362.430 0.221 10 0 FCAEMM O=C(CCCn1ccnn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001292079583 1262641832 /nfs/dbraw/zinc/64/18/32/1262641832.db2.gz RZMYNJWNDBKTGE-MCIONIFRSA-N -1 1 370.413 0.721 10 0 FCAEMM COC(=O)CCN(C(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC001294041282 1262725013 /nfs/dbraw/zinc/72/50/13/1262725013.db2.gz XGABJDUXWHZFQH-UHFFFAOYSA-N -1 1 365.386 0.088 10 0 FCAEMM CCOC(Cn1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1)OCC ZINC001295409901 1262764614 /nfs/dbraw/zinc/76/46/14/1262764614.db2.gz AVOJVOWYRHHLOT-GFCCVEGCSA-N -1 1 363.422 0.815 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001295683040 1262777041 /nfs/dbraw/zinc/77/70/41/1262777041.db2.gz IALFOAAUEZRUID-SFHVURJKSA-N -1 1 359.357 0.776 10 0 FCAEMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc([O-])cn1 ZINC001296114157 1262792847 /nfs/dbraw/zinc/79/28/47/1262792847.db2.gz VRTGLTUEAKIXLI-QGZVFWFLSA-N -1 1 355.394 0.987 10 0 FCAEMM Cn1cc(-n2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccc2=O)cn1 ZINC001296795718 1262837966 /nfs/dbraw/zinc/83/79/66/1262837966.db2.gz OTPKUQZKLBNARG-LLVKDONJSA-N -1 1 354.374 0.104 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CCCn4ncnc43)CC2)n1 ZINC001297216912 1262854534 /nfs/dbraw/zinc/85/45/34/1262854534.db2.gz BPCBDXGFAAXXFU-GFCCVEGCSA-N -1 1 373.417 0.857 10 0 FCAEMM CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cnncc1O)CC2 ZINC001297663422 1262887194 /nfs/dbraw/zinc/88/71/94/1262887194.db2.gz PJVMXSHUAZYLFL-NSHDSACASA-N -1 1 358.402 0.509 10 0 FCAEMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[C@H](c3nn[n-]n3)C1)C2=O ZINC001302935523 1263066360 /nfs/dbraw/zinc/06/63/60/1263066360.db2.gz ASFWNKRJBNOVJY-OHUAYANFSA-N -1 1 361.406 0.016 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N(CCOCCO)C1CCC1 ZINC001479155581 1263172994 /nfs/dbraw/zinc/17/29/94/1263172994.db2.gz AFRQYHJIIYXEBC-UHFFFAOYSA-N -1 1 366.418 0.328 10 0 FCAEMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479157964 1263173957 /nfs/dbraw/zinc/17/39/57/1263173957.db2.gz QNMBHWWTYCROGH-GXFFZTMASA-N -1 1 368.434 0.212 10 0 FCAEMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479157965 1263174237 /nfs/dbraw/zinc/17/42/37/1263174237.db2.gz QNMBHWWTYCROGH-MFKMUULPSA-N -1 1 368.434 0.212 10 0 FCAEMM COCCN(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)Cc1nc(=O)n(C)[n-]1 ZINC001486429792 1263539192 /nfs/dbraw/zinc/53/91/92/1263539192.db2.gz AWXCPIBRAMNJBK-SOUVJXGZSA-N -1 1 365.478 0.499 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001494076901 1263752225 /nfs/dbraw/zinc/75/22/25/1263752225.db2.gz KKJMQGIVBXIEKE-AAVRWANBSA-N -1 1 362.430 0.126 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001320245748 1263777113 /nfs/dbraw/zinc/77/71/13/1263777113.db2.gz BXAVQIPAUAABAC-CYBMUJFWSA-N -1 1 350.342 0.095 10 0 FCAEMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001507480207 1264366145 /nfs/dbraw/zinc/36/61/45/1264366145.db2.gz CKKFWCVMNWDWMD-IJLUTSLNSA-N -1 1 365.459 0.593 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001508972622 1264429348 /nfs/dbraw/zinc/42/93/48/1264429348.db2.gz PRLSVDBFBFAYIU-IVZWLZJFSA-N -1 1 352.391 0.519 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cnccc1CO ZINC001323516431 1264446352 /nfs/dbraw/zinc/44/63/52/1264446352.db2.gz ZRPRTBRXUNZBDS-UHFFFAOYSA-N -1 1 373.413 0.786 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cn1 ZINC001332860902 1266494958 /nfs/dbraw/zinc/49/49/58/1266494958.db2.gz PBOICTLSAZNQEA-XQQFMLRXSA-N -1 1 361.450 0.668 10 0 FCAEMM CN1CCN(Cc2cccc(C(=O)N3CCO[C@](C)(C(=O)[O-])C3)c2)CC1 ZINC001333350424 1266584459 /nfs/dbraw/zinc/58/44/59/1266584459.db2.gz MPABIFWUVUVTPB-IBGZPJMESA-N -1 1 361.442 0.750 10 0 FCAEMM C[C@H]1CSCCN1c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCCCO1 ZINC001526378408 1266806267 /nfs/dbraw/zinc/80/62/67/1266806267.db2.gz LVWZYWUHUHJMDF-QWRGUYRKSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@H]1CSCCN1c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCCCO1 ZINC001526378408 1266806290 /nfs/dbraw/zinc/80/62/90/1266806290.db2.gz LVWZYWUHUHJMDF-QWRGUYRKSA-N -1 1 350.452 0.969 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001527020035 1266861611 /nfs/dbraw/zinc/86/16/11/1266861611.db2.gz ARHGZHZWOCTLKS-QJPTWQEYSA-N -1 1 360.418 0.334 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001527020034 1266862399 /nfs/dbraw/zinc/86/23/99/1266862399.db2.gz ARHGZHZWOCTLKS-IJLUTSLNSA-N -1 1 360.418 0.334 10 0 FCAEMM CO[C@@H]1CN(C(=O)C2CCC(N3CCOCC3)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001334204731 1266880510 /nfs/dbraw/zinc/88/05/10/1266880510.db2.gz FDKXFFGLGCPHSH-ZUBZBLCWSA-N -1 1 354.447 0.968 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(CC)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001528965324 1267015782 /nfs/dbraw/zinc/01/57/82/1267015782.db2.gz RNLCANLRQIZTCQ-NXEZZACHSA-N -1 1 352.391 0.521 10 0 FCAEMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN2CCOC[C@]2(CO)C1 ZINC001529083887 1267023096 /nfs/dbraw/zinc/02/30/96/1267023096.db2.gz GGZVFPCKRJQJFC-OAHLLOKOSA-N -1 1 360.332 0.930 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C/c3ccc(S(C)(=O)=O)o3)nc2n1 ZINC001534786580 1267271902 /nfs/dbraw/zinc/27/19/02/1267271902.db2.gz MWPCYGLMLZJUTC-HWKANZROSA-N -1 1 363.355 0.374 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)Cn2nc3ccccn3c2=O)[n-]c1Cl ZINC001538324858 1267402012 /nfs/dbraw/zinc/40/20/12/1267402012.db2.gz WVQVAMWGDTYFRL-UHFFFAOYSA-N -1 1 364.749 0.688 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC001540489650 1267449196 /nfs/dbraw/zinc/44/91/96/1267449196.db2.gz HEXYVPCZSNGXGP-UHFFFAOYSA-N -1 1 350.400 0.916 10 0 FCAEMM COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc([O-])cn2)cc1 ZINC001541021484 1267474013 /nfs/dbraw/zinc/47/40/13/1267474013.db2.gz OAORGHYKRQPWSU-UHFFFAOYSA-N -1 1 365.411 0.642 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001543062887 1267521417 /nfs/dbraw/zinc/52/14/17/1267521417.db2.gz HZKCASXPTFKVBG-CHWSQXEVSA-N -1 1 353.444 0.440 10 0 FCAEMM COc1ccc(NC(=O)[C@]2(C)CCN(C)C2=O)cc1[N-]S(C)(=O)=O ZINC001543122667 1267525194 /nfs/dbraw/zinc/52/51/94/1267525194.db2.gz XMTVYJBLHMUWQZ-HNNXBMFYSA-N -1 1 355.416 0.874 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1nc2cc(Br)cnc2[nH]1 ZINC001543502347 1267551390 /nfs/dbraw/zinc/55/13/90/1267551390.db2.gz VABGEMYSHWKZRA-UHFFFAOYSA-N -1 1 351.168 0.483 10 0 FCAEMM CN(C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1)S(C)(=O)=O ZINC001544197388 1267572937 /nfs/dbraw/zinc/57/29/37/1267572937.db2.gz YBTAXTFZOQHQLJ-UHFFFAOYSA-N -1 1 369.472 0.514 10 0 FCAEMM CCN(CC)CCN(C(=O)c1c[n-]ncc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001545877310 1267627766 /nfs/dbraw/zinc/62/77/66/1267627766.db2.gz ZDUYUDWPRQZWIS-GFCCVEGCSA-N -1 1 356.448 0.153 10 0 FCAEMM CCN(CC)CCN(C(=O)c1c[n-]ncc1=O)[C@H]1CCS(=O)(=O)C1 ZINC001545877311 1267628164 /nfs/dbraw/zinc/62/81/64/1267628164.db2.gz ZDUYUDWPRQZWIS-LBPRGKRZSA-N -1 1 356.448 0.153 10 0 FCAEMM O=C(c1cccc([O-])c1F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001546233160 1267640562 /nfs/dbraw/zinc/64/05/62/1267640562.db2.gz NDJFZOZPPQXBFM-UHFFFAOYSA-N -1 1 356.419 0.866 10 0 FCAEMM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001340481494 1268563466 /nfs/dbraw/zinc/56/34/66/1268563466.db2.gz PWCNHTXMEYDQTB-UHFFFAOYSA-N -1 1 352.298 0.528 10 0 FCAEMM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001340481494 1268563471 /nfs/dbraw/zinc/56/34/71/1268563471.db2.gz PWCNHTXMEYDQTB-UHFFFAOYSA-N -1 1 352.298 0.528 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC001556086748 1268808769 /nfs/dbraw/zinc/80/87/69/1268808769.db2.gz ZOFCYCXGGMSFSK-HIFRSBDPSA-N -1 1 359.382 0.118 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001556086749 1268811365 /nfs/dbraw/zinc/81/13/65/1268811365.db2.gz ZOFCYCXGGMSFSK-UKRRQHHQSA-N -1 1 359.382 0.118 10 0 FCAEMM O=C(Cc1cc(C(F)(F)F)ccn1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348195 1268847768 /nfs/dbraw/zinc/84/77/68/1268847768.db2.gz AJZOVMWTTQOGMW-UHFFFAOYSA-N -1 1 356.308 0.666 10 0 FCAEMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001556436154 1268853828 /nfs/dbraw/zinc/85/38/28/1268853828.db2.gz NHUNOYNXUGSFCE-YPMHNXCESA-N -1 1 366.443 0.504 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001556617894 1268873531 /nfs/dbraw/zinc/87/35/31/1268873531.db2.gz QTPGSKSCXSLGBW-IUODEOHRSA-N -1 1 356.382 0.949 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC001556730585 1268886927 /nfs/dbraw/zinc/88/69/27/1268886927.db2.gz RDLHBYKWNUSXKP-LLVKDONJSA-N -1 1 350.375 0.273 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(CC(C)C)CCNC2=O)c1 ZINC001556891044 1268903160 /nfs/dbraw/zinc/90/31/60/1268903160.db2.gz DMEXERUPAHQKTG-INIZCTEOSA-N -1 1 369.443 0.791 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)n[n-]1 ZINC001557440081 1268947204 /nfs/dbraw/zinc/94/72/04/1268947204.db2.gz VKOHKQWWMQXVDX-VIFPVBQESA-N -1 1 370.369 0.719 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)[n-]1 ZINC001557440081 1268947210 /nfs/dbraw/zinc/94/72/10/1268947210.db2.gz VKOHKQWWMQXVDX-VIFPVBQESA-N -1 1 370.369 0.719 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)n1 ZINC001557440081 1268947217 /nfs/dbraw/zinc/94/72/17/1268947217.db2.gz VKOHKQWWMQXVDX-VIFPVBQESA-N -1 1 370.369 0.719 10 0 FCAEMM CC(C)OCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001341364013 1268956707 /nfs/dbraw/zinc/95/67/07/1268956707.db2.gz VDHYBBDMSWLEHN-TZMCWYRMSA-N -1 1 351.403 0.294 10 0 FCAEMM O=C(NCc1n[nH]c(CO)n1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001557595618 1268958737 /nfs/dbraw/zinc/95/87/37/1268958737.db2.gz VBCMKMPQIBCDDV-UHFFFAOYSA-N -1 1 350.285 0.397 10 0 FCAEMM Cc1cccc(CO[N-]C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)n1 ZINC001557719609 1268971709 /nfs/dbraw/zinc/97/17/09/1268971709.db2.gz MCIKNGQNQMHAAJ-UHFFFAOYSA-N -1 1 358.358 0.246 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001557922961 1268991599 /nfs/dbraw/zinc/99/15/99/1268991599.db2.gz JTYFXNQNOGFXSK-GXSJLCMTSA-N -1 1 355.416 0.992 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(OC)[C@@H](C)C(=O)OC(C)(C)C)o1 ZINC001557992750 1268999385 /nfs/dbraw/zinc/99/93/85/1268999385.db2.gz ZLHPVYFJEHGYOW-VIFPVBQESA-N -1 1 362.404 0.922 10 0 FCAEMM C[C@H]1Oc2c(cccc2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)NC1=O ZINC001558049633 1269012873 /nfs/dbraw/zinc/01/28/73/1269012873.db2.gz VNENFTROHDBHCG-SECBINFHSA-N -1 1 370.365 0.904 10 0 FCAEMM Cn1nc(-c2cccnc2)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558049233 1269013563 /nfs/dbraw/zinc/01/35/63/1269013563.db2.gz PNCCKSXXWRTVLD-UHFFFAOYSA-N -1 1 366.381 0.980 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC001558162972 1269037830 /nfs/dbraw/zinc/03/78/30/1269037830.db2.gz YTZXWCHTTXNCNO-UHFFFAOYSA-N -1 1 358.468 0.390 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001558173297 1269046240 /nfs/dbraw/zinc/04/62/40/1269046240.db2.gz KDRJTGQXFYAXMB-IINYFYTJSA-N -1 1 371.319 0.506 10 0 FCAEMM O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001558346028 1269073628 /nfs/dbraw/zinc/07/36/28/1269073628.db2.gz IAIGIIZFGBTRPV-GFCCVEGCSA-N -1 1 368.397 0.948 10 0 FCAEMM CS(=O)(=O)Cc1nc(CNC(=O)c2s[n-]c(=O)c2Cl)n[nH]1 ZINC001558550309 1269108873 /nfs/dbraw/zinc/10/88/73/1269108873.db2.gz AXEAPBCFUPOBQA-UHFFFAOYSA-N -1 1 351.797 0.095 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)c1cccc(F)c1 ZINC001558771124 1269138623 /nfs/dbraw/zinc/13/86/23/1269138623.db2.gz TWHZATOHSKYDQM-QFIPXVFZSA-N -1 1 366.436 0.765 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)SCC(=O)N3)n[n-]1 ZINC001558965845 1269155105 /nfs/dbraw/zinc/15/51/05/1269155105.db2.gz MFKJWSDYBVNOGC-UHFFFAOYSA-N -1 1 361.383 0.956 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)SCC(=O)N3)n1 ZINC001558965845 1269155111 /nfs/dbraw/zinc/15/51/11/1269155111.db2.gz MFKJWSDYBVNOGC-UHFFFAOYSA-N -1 1 361.383 0.956 10 0 FCAEMM CCOC(=O)[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)C1CCOCC1 ZINC001559731966 1269173325 /nfs/dbraw/zinc/17/33/25/1269173325.db2.gz DKPWYSZYYYCHOF-OAHLLOKOSA-N -1 1 351.403 0.703 10 0 FCAEMM C[C@@H](CO)[C@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565247029 1269458890 /nfs/dbraw/zinc/45/88/90/1269458890.db2.gz CBMNPUARUWEQSD-SMDDNHRTSA-N -1 1 350.419 0.947 10 0 FCAEMM CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248589 1269459364 /nfs/dbraw/zinc/45/93/64/1269459364.db2.gz ZAPLOYGDFMQQSB-BXUZGUMPSA-N -1 1 350.419 0.947 10 0 FCAEMM CCOC(=O)[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001565248081 1269459493 /nfs/dbraw/zinc/45/94/93/1269459493.db2.gz NLJLHOZLRCTVEU-JTQLQIEISA-N -1 1 350.375 0.350 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614554 1269483105 /nfs/dbraw/zinc/48/31/05/1269483105.db2.gz RQQUNSVAESHXFB-OHVSUOQFSA-N -1 1 356.342 0.144 10 0 FCAEMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1s[n-]c(=O)c1Cl ZINC001565702051 1269490134 /nfs/dbraw/zinc/49/01/34/1269490134.db2.gz SLNQPIMRWSLTCI-SNVBAGLBSA-N -1 1 360.867 0.638 10 0 FCAEMM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001342515370 1269499256 /nfs/dbraw/zinc/49/92/56/1269499256.db2.gz PZEIQYVGNQEWTG-HRDYMLBCSA-N -1 1 356.354 0.221 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC001565895562 1269508123 /nfs/dbraw/zinc/50/81/23/1269508123.db2.gz YHFQQPJMUXELSO-SNVBAGLBSA-N -1 1 365.419 0.205 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCOC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001566009796 1269547256 /nfs/dbraw/zinc/54/72/56/1269547256.db2.gz UICGWNANAGHYSA-MELADBBJSA-N -1 1 351.451 0.394 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1Cc1ccccn1 ZINC001566094099 1269598261 /nfs/dbraw/zinc/59/82/61/1269598261.db2.gz FCPVPOIUFQTDQQ-OCCSQVGLSA-N -1 1 360.418 0.644 10 0 FCAEMM C[C@@H](Oc1ccccn1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001566109543 1269610191 /nfs/dbraw/zinc/61/01/91/1269610191.db2.gz QNOXWCFSVYMCHK-UPJWGTAASA-N -1 1 360.418 0.050 10 0 FCAEMM CN(C(=O)CCc1nn[n-]n1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001566692720 1269656681 /nfs/dbraw/zinc/65/66/81/1269656681.db2.gz DDDQMCFUHXXGKQ-JTQLQIEISA-N -1 1 355.807 0.773 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001569789729 1269809577 /nfs/dbraw/zinc/80/95/77/1269809577.db2.gz AYJFEJCJXAHZFK-DIFFPNOSSA-N -1 1 363.345 0.837 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@](CO)(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nc1=O ZINC001569897265 1269817666 /nfs/dbraw/zinc/81/76/66/1269817666.db2.gz SLRJXZBAKPTOCO-VFVRVIDISA-N -1 1 365.478 0.234 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)COCc1ccncc1 ZINC001572919808 1270349350 /nfs/dbraw/zinc/34/93/50/1270349350.db2.gz KMXCOWYONBHCQE-UKRRQHHQSA-N -1 1 370.409 0.976 10 0 FCAEMM O=C(CC[C@@H]1CCCCO1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001573036130 1270553533 /nfs/dbraw/zinc/55/35/33/1270553533.db2.gz QXRNZOLDKAUYGJ-GUTXKFCHSA-N -1 1 363.414 0.438 10 0 FCAEMM CC(C)[C@@H](F)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001573572395 1270833609 /nfs/dbraw/zinc/83/36/09/1270833609.db2.gz DXVUNTGJCZLWAM-MBNYWOFBSA-N -1 1 368.409 0.026 10 0 FCAEMM C[C@@H](CNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1n[nH]c(=O)[n-]1 ZINC001713317550 1287273323 /nfs/dbraw/zinc/27/33/23/1287273323.db2.gz OXEYRBZMTUEWQT-LPEHRKFASA-N -1 1 365.356 0.995 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)n[n-]1 ZINC001632563186 1282186334 /nfs/dbraw/zinc/18/63/34/1282186334.db2.gz UFAHRLJWECBXDW-VIFPVBQESA-N -1 1 358.358 0.914 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)[n-]1 ZINC001632563186 1282186340 /nfs/dbraw/zinc/18/63/40/1282186340.db2.gz UFAHRLJWECBXDW-VIFPVBQESA-N -1 1 358.358 0.914 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)n1 ZINC001632563186 1282186344 /nfs/dbraw/zinc/18/63/44/1282186344.db2.gz UFAHRLJWECBXDW-VIFPVBQESA-N -1 1 358.358 0.914 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H](O)c1ccccn1 ZINC001632595677 1282189279 /nfs/dbraw/zinc/18/92/79/1282189279.db2.gz JBKODSJATHCNBQ-HNNXBMFYSA-N -1 1 363.395 0.900 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC001633520839 1282250029 /nfs/dbraw/zinc/25/00/29/1282250029.db2.gz JTERWFJNEDIYDH-UHFFFAOYSA-N -1 1 352.420 0.074 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC001585924809 1282256707 /nfs/dbraw/zinc/25/67/07/1282256707.db2.gz PPSFGDWDOWUKKV-SNVBAGLBSA-N -1 1 359.367 0.912 10 0 FCAEMM Cn1cc(C(=O)C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cn1 ZINC001633626579 1282259798 /nfs/dbraw/zinc/25/97/98/1282259798.db2.gz NBPIOTQPJBTYKV-NSHDSACASA-N -1 1 363.740 0.814 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1CS(=O)(=O)C1 ZINC001633626121 1282259886 /nfs/dbraw/zinc/25/98/86/1282259886.db2.gz KEEBYUVCHXEBRR-SNVBAGLBSA-N -1 1 359.770 0.242 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001633670157 1282265345 /nfs/dbraw/zinc/26/53/45/1282265345.db2.gz PLQNFDFWYDGEFU-CMPLNLGQSA-N -1 1 354.432 0.507 10 0 FCAEMM O=C(Cc1nnc(C2CCOCC2)[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001633715701 1282269801 /nfs/dbraw/zinc/26/98/01/1282269801.db2.gz PSBBAUIYVJNNAP-NSHDSACASA-N -1 1 362.390 0.736 10 0 FCAEMM Cc1cnc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c([O-])c1 ZINC001634180915 1282307917 /nfs/dbraw/zinc/30/79/17/1282307917.db2.gz SBZCCWZDUJRBAX-UHFFFAOYSA-N -1 1 356.382 0.258 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)n[n-]1 ZINC001634277020 1282314732 /nfs/dbraw/zinc/31/47/32/1282314732.db2.gz OMTACOSWXUHZGR-GHMZBOCLSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)[n-]1 ZINC001634277020 1282314741 /nfs/dbraw/zinc/31/47/41/1282314741.db2.gz OMTACOSWXUHZGR-GHMZBOCLSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)n1 ZINC001634277020 1282314754 /nfs/dbraw/zinc/31/47/54/1282314754.db2.gz OMTACOSWXUHZGR-GHMZBOCLSA-N -1 1 351.407 0.711 10 0 FCAEMM CSc1ncc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(=O)[n-]1 ZINC001586847010 1282317159 /nfs/dbraw/zinc/31/71/59/1282317159.db2.gz DRVMDLMWUNJZTC-WJWGPLDTSA-N -1 1 351.388 0.012 10 0 FCAEMM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001634307030 1282319218 /nfs/dbraw/zinc/31/92/18/1282319218.db2.gz SYGVINXIOMXJFC-GFCCVEGCSA-N -1 1 351.407 0.785 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@](C)(CO)Cc1ccccc1F ZINC001634469571 1282333054 /nfs/dbraw/zinc/33/30/54/1282333054.db2.gz SMWYNRDPLPVWTF-INIZCTEOSA-N -1 1 351.334 0.759 10 0 FCAEMM COC[C@H](NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c1nn[n-]n1 ZINC001634622169 1282339764 /nfs/dbraw/zinc/33/97/64/1282339764.db2.gz NEJNILLTQQAEOB-JTQLQIEISA-N -1 1 372.307 0.747 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1noc(-c2cccs2)n1 ZINC001634825007 1282358760 /nfs/dbraw/zinc/35/87/60/1282358760.db2.gz BLKSTXZFOJXAMR-UHFFFAOYSA-N -1 1 359.367 0.945 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635007422 1282373139 /nfs/dbraw/zinc/37/31/39/1282373139.db2.gz HEHRKDFDKCIGBX-WDEREUQCSA-N -1 1 351.407 0.378 10 0 FCAEMM CSc1ncc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(=O)[n-]1 ZINC001587723128 1282376356 /nfs/dbraw/zinc/37/63/56/1282376356.db2.gz DUMHBTRFGWOHOU-JTQLQIEISA-N -1 1 365.459 0.329 10 0 FCAEMM Cn1cc(N2C[C@H](C(=O)N3CCC(c4nn[n-]n4)CC3)CCC2=O)cn1 ZINC001587875009 1282385314 /nfs/dbraw/zinc/38/53/14/1282385314.db2.gz LPPNCZLGXCWJCU-GFCCVEGCSA-N -1 1 358.406 0.082 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C[C@H]2CCCS(=O)(=O)C2)[n-]c1=O ZINC001635629943 1282417646 /nfs/dbraw/zinc/41/76/46/1282417646.db2.gz GWFZJTWWZLSRBA-SNVBAGLBSA-N -1 1 357.432 0.757 10 0 FCAEMM CC[C@H]1NC(=O)N(c2cccc(NC(=O)CCCc3nn[n-]n3)c2)C1=O ZINC001635725872 1282427537 /nfs/dbraw/zinc/42/75/37/1282427537.db2.gz HRHAIARGEWHUEY-GFCCVEGCSA-N -1 1 357.374 0.996 10 0 FCAEMM Cc1c(Br)cnn1CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001636174919 1282467501 /nfs/dbraw/zinc/46/75/01/1282467501.db2.gz ZGRSUHGSIBWWPQ-UHFFFAOYSA-N -1 1 354.212 0.873 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccn(C2CCOCC2)n1 ZINC001636326949 1282486307 /nfs/dbraw/zinc/48/63/07/1282486307.db2.gz GPJWKGQODXJXCI-UHFFFAOYSA-N -1 1 359.386 0.733 10 0 FCAEMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001636417580 1282498886 /nfs/dbraw/zinc/49/88/86/1282498886.db2.gz DIIBTOWIRJMNQK-CNDDSTCGSA-N -1 1 355.416 0.837 10 0 FCAEMM COCCn1ncc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1C ZINC001637110801 1282563029 /nfs/dbraw/zinc/56/30/29/1282563029.db2.gz LMXQDYMYXUMRJN-UHFFFAOYSA-N -1 1 354.388 0.443 10 0 FCAEMM Nc1nc(C(=O)NCc2ccc([O-])c(Cl)c2)nc(N2CCOCC2)n1 ZINC001637348356 1282586036 /nfs/dbraw/zinc/58/60/36/1282586036.db2.gz IWTHHKSTIPHDMD-UHFFFAOYSA-N -1 1 364.793 0.579 10 0 FCAEMM C/C=C/[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637873951 1282631816 /nfs/dbraw/zinc/63/18/16/1282631816.db2.gz PLXOVYCTNIQZNF-HSWBROFVSA-N -1 1 356.400 0.289 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC001638337360 1282686994 /nfs/dbraw/zinc/68/69/94/1282686994.db2.gz JKNNBNYUTUXRSO-ZNSHCXBVSA-N -1 1 355.416 0.065 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C(=O)OC)cn2)o1 ZINC001638843850 1282725846 /nfs/dbraw/zinc/72/58/46/1282725846.db2.gz QSHUWWSTDJBPEZ-UHFFFAOYSA-N -1 1 367.383 0.642 10 0 FCAEMM COCC(COC)N1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001639097094 1282747122 /nfs/dbraw/zinc/74/71/22/1282747122.db2.gz DOGZPGLICYXJIJ-UHFFFAOYSA-N -1 1 350.415 0.932 10 0 FCAEMM Nc1nc(C2CC2)nc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001639625435 1282798346 /nfs/dbraw/zinc/79/83/46/1282798346.db2.gz HMBPELWZCIPAIC-UHFFFAOYSA-N -1 1 368.397 0.568 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CC(NC2COC2)C1 ZINC001639675431 1282805226 /nfs/dbraw/zinc/80/52/26/1282805226.db2.gz RRHKYJGYDXBQGK-UHFFFAOYSA-N -1 1 374.178 0.810 10 0 FCAEMM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001640184440 1282844335 /nfs/dbraw/zinc/84/43/35/1282844335.db2.gz LQJPSBJDUXZXAE-UHFFFAOYSA-N -1 1 371.463 0.307 10 0 FCAEMM O=C(N=S1(=O)CCOCC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001640207898 1282846163 /nfs/dbraw/zinc/84/61/63/1282846163.db2.gz FWXZKNQVYGXPAF-UHFFFAOYSA-N -1 1 367.358 0.512 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OCc1ccccc1 ZINC001640437900 1282863977 /nfs/dbraw/zinc/86/39/77/1282863977.db2.gz SSPBLHRUUDRKDN-LBPRGKRZSA-N -1 1 357.366 0.765 10 0 FCAEMM COCCCn1nc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)ccc1=O ZINC001640550931 1282874705 /nfs/dbraw/zinc/87/47/05/1282874705.db2.gz LEJCRGZLWFGLFI-UHFFFAOYSA-N -1 1 363.374 0.388 10 0 FCAEMM COCCCn1nc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1=O ZINC001640550931 1282874712 /nfs/dbraw/zinc/87/47/12/1282874712.db2.gz LEJCRGZLWFGLFI-UHFFFAOYSA-N -1 1 363.374 0.388 10 0 FCAEMM C[C@@]1(c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)COC(=O)N1 ZINC001589466272 1282885459 /nfs/dbraw/zinc/88/54/59/1282885459.db2.gz JSFLKBSCHLVKKW-KRWDZBQOSA-N -1 1 358.354 0.520 10 0 FCAEMM O=C(NCc1nc(CO)n[nH]1)c1ccc(I)c([O-])c1 ZINC001641941561 1282984575 /nfs/dbraw/zinc/98/45/75/1282984575.db2.gz PUYWFVMEPQZBGA-UHFFFAOYSA-N -1 1 374.138 0.537 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001642982485 1283051762 /nfs/dbraw/zinc/05/17/62/1283051762.db2.gz KHNLVRFQEUQPMM-LLVKDONJSA-N -1 1 357.370 0.916 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCC2CC2)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001702688169 1285786494 /nfs/dbraw/zinc/78/64/94/1285786494.db2.gz NOTPALCZXKLZNU-PWSUYJOCSA-N -1 1 358.402 0.327 10 0 FCAEMM COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001702762887 1285839067 /nfs/dbraw/zinc/83/90/67/1285839067.db2.gz IAIXKJTWEGGDTO-DIFFPNOSSA-N -1 1 362.386 0.064 10 0 FCAEMM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C2CCC2)C3)c1[O-] ZINC001702989843 1286039617 /nfs/dbraw/zinc/03/96/17/1286039617.db2.gz GPSSYUGULJFNHK-MCIONIFRSA-N -1 1 361.446 0.770 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001703032675 1286064281 /nfs/dbraw/zinc/06/42/81/1286064281.db2.gz TVPGRMMTWADANO-FNFWKMNBSA-N -1 1 360.414 0.423 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CCn3cc[n-]c(=O)c3=O)O2)[C@H]1C ZINC001596518459 1286305751 /nfs/dbraw/zinc/30/57/51/1286305751.db2.gz PZVVRBGVDXLYLM-APNQJHFZSA-N -1 1 351.403 0.016 10 0 FCAEMM O=C(CO[C@@H]1CCOC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597371071 1286340375 /nfs/dbraw/zinc/34/03/75/1286340375.db2.gz QFXXCTJFWLVWCV-LLVKDONJSA-N -1 1 356.400 0.577 10 0 FCAEMM O=C(CO[C@H]1CCOC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597371072 1286341325 /nfs/dbraw/zinc/34/13/25/1286341325.db2.gz QFXXCTJFWLVWCV-NSHDSACASA-N -1 1 356.400 0.577 10 0 FCAEMM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597554563 1286350774 /nfs/dbraw/zinc/35/07/74/1286350774.db2.gz PLQQFDYNISHPIG-KRWDZBQOSA-N -1 1 369.418 0.944 10 0 FCAEMM CCC(=O)N[C@@H](CCSC)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597549028 1286350951 /nfs/dbraw/zinc/35/09/51/1286350951.db2.gz MYVPGETUUOEXAU-NSHDSACASA-N -1 1 370.475 0.845 10 0 FCAEMM C[C@H](CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C)CS(C)(=O)=O ZINC001707250015 1287097590 /nfs/dbraw/zinc/09/75/90/1287097590.db2.gz NXBWGGMTHDCZRS-UPJWGTAASA-N -1 1 355.460 0.661 10 0 FCAEMM COCCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001719223967 1287894141 /nfs/dbraw/zinc/89/41/41/1287894141.db2.gz BUCLRGMRMKTAHR-UMVBOHGHSA-N -1 1 365.430 0.806 10 0 FCAEMM CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001736144230 1289172521 /nfs/dbraw/zinc/17/25/21/1289172521.db2.gz FSAKZYFROYJHHT-OLZOCXBDSA-N -1 1 350.419 0.080 10 0 FCAEMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001733042675 1288600124 /nfs/dbraw/zinc/60/01/24/1288600124.db2.gz KFEGOISCYGJJNU-FPMFFAJLSA-N -1 1 351.451 0.108 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001735410740 1288731491 /nfs/dbraw/zinc/73/14/91/1288731491.db2.gz XVYBPNXEDKQHOT-JMSVASOKSA-N -1 1 351.403 0.151 10 0 FCAEMM Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)C)c1[O-] ZINC001738319293 1289660569 /nfs/dbraw/zinc/66/05/69/1289660569.db2.gz RDLQFBVTFHWCHC-IJLUTSLNSA-N -1 1 360.418 0.821 10 0 FCAEMM Cn1nc(-c2cccnc2)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001616945031 1289802948 /nfs/dbraw/zinc/80/29/48/1289802948.db2.gz JLVVFWTVPACWON-CYBMUJFWSA-N -1 1 356.415 0.926 10 0 FCAEMM O=C(c1ccc(Br)[nH]c1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001616948194 1289805124 /nfs/dbraw/zinc/80/51/24/1289805124.db2.gz XYNFBYHWZJZQKO-ZETCQYMHSA-N -1 1 371.220 0.993 10 0 FCAEMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001617281065 1289829662 /nfs/dbraw/zinc/82/96/62/1289829662.db2.gz FYPTWTOISVCXJD-CQSZACIVSA-N -1 1 372.429 0.579 10 0 FCAEMM C[C@@H]1[C@H](CCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)[C@H](C)Nc2ccnn21 ZINC001617703693 1289860242 /nfs/dbraw/zinc/86/02/42/1289860242.db2.gz UNRQADYLKVONLP-YNEHKIRRSA-N -1 1 374.449 0.678 10 0 FCAEMM CCCCC(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001702230581 1289894314 /nfs/dbraw/zinc/89/43/14/1289894314.db2.gz QKEBKAOTCOCEIS-NXEZZACHSA-N -1 1 352.391 0.663 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@]3(C)CCNC3=O)c2)n1 ZINC001618521185 1289915612 /nfs/dbraw/zinc/91/56/12/1289915612.db2.gz JJSHFOXXLAJOOI-SFHVURJKSA-N -1 1 371.397 0.791 10 0 FCAEMM CCO[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001739411951 1289932015 /nfs/dbraw/zinc/93/20/15/1289932015.db2.gz LZKZAUDIDOEERW-UXIGCNINSA-N -1 1 351.403 0.150 10 0 FCAEMM CC/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001739421563 1289952060 /nfs/dbraw/zinc/95/20/60/1289952060.db2.gz MQZBYGMJIMUZLU-LPBFIKQHSA-N -1 1 360.414 0.717 10 0 FCAEMM CO[C@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001702303594 1289994989 /nfs/dbraw/zinc/99/49/89/1289994989.db2.gz PKVWSYXHFICTKQ-YRGRVCCFSA-N -1 1 351.403 0.558 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCC(=O)O1 ZINC001624543198 1290278492 /nfs/dbraw/zinc/27/84/92/1290278492.db2.gz MFAKNLRVJUKGOT-CYBMUJFWSA-N -1 1 370.383 0.057 10 0 FCAEMM C[C@H]1CO[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC001624543698 1290278719 /nfs/dbraw/zinc/27/87/19/1290278719.db2.gz YFBHKLFMUMRAOA-IAQYHMDHSA-N -1 1 370.427 0.777 10 0 FCAEMM COCCS(=O)(=O)c1ccc(CNC(=O)c2cnncc2[O-])cc1 ZINC001625114331 1290320879 /nfs/dbraw/zinc/32/08/79/1290320879.db2.gz DCIWDUZNZAFCBP-UHFFFAOYSA-N -1 1 351.384 0.532 10 0 FCAEMM C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001625223456 1290328643 /nfs/dbraw/zinc/32/86/43/1290328643.db2.gz SAKLAYMPCJGUAQ-SNVBAGLBSA-N -1 1 352.420 0.260 10 0 FCAEMM COC(=O)CC1(NC(=O)c2cccc([O-])c2F)CCS(=O)(=O)CC1 ZINC001625591012 1290352788 /nfs/dbraw/zinc/35/27/88/1290352788.db2.gz UUBVZMVMJMPHDS-UHFFFAOYSA-N -1 1 359.375 0.772 10 0 FCAEMM CS(=O)(=O)c1ccccc1-n1cc(NC(=O)CCc2nn[n-]n2)cn1 ZINC001627547310 1290469412 /nfs/dbraw/zinc/46/94/12/1290469412.db2.gz GHUBJWMGCNVPRI-UHFFFAOYSA-N -1 1 361.387 0.360 10 0 FCAEMM CS(=O)(=O)c1cccc(CNC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC001627595053 1290471464 /nfs/dbraw/zinc/47/14/64/1290471464.db2.gz SWTORPFTMQKSQF-UHFFFAOYSA-N -1 1 363.395 0.237 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2cc(=O)[n-]c(SC)n2)C1 ZINC001627727332 1290481629 /nfs/dbraw/zinc/48/16/29/1290481629.db2.gz CLAIRBPCALDGCV-GXSJLCMTSA-N -1 1 355.416 0.879 10 0 FCAEMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCCc1nn[n-]n1)C2 ZINC001628939863 1290564012 /nfs/dbraw/zinc/56/40/12/1290564012.db2.gz MZMBKLWABWCYQM-ZBEGNZNMSA-N -1 1 351.407 0.339 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)n[n-]1 ZINC001629030464 1290570752 /nfs/dbraw/zinc/57/07/52/1290570752.db2.gz ZHVLQQRVVOBOII-HWPZZCPQSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)[n-]1 ZINC001629030464 1290570756 /nfs/dbraw/zinc/57/07/56/1290570756.db2.gz ZHVLQQRVVOBOII-HWPZZCPQSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)n1 ZINC001629030464 1290570764 /nfs/dbraw/zinc/57/07/64/1290570764.db2.gz ZHVLQQRVVOBOII-HWPZZCPQSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)COc2c(=O)ccoc2C)n[n-]1 ZINC001629030026 1290570991 /nfs/dbraw/zinc/57/09/91/1290570991.db2.gz VREIEGZISINXGY-QMMMGPOBSA-N -1 1 350.331 0.499 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)COc2c(=O)ccoc2C)[n-]1 ZINC001629030026 1290570999 /nfs/dbraw/zinc/57/09/99/1290570999.db2.gz VREIEGZISINXGY-QMMMGPOBSA-N -1 1 350.331 0.499 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COc2c(=O)ccoc2C)n1 ZINC001629030026 1290571007 /nfs/dbraw/zinc/57/10/07/1290571007.db2.gz VREIEGZISINXGY-QMMMGPOBSA-N -1 1 350.331 0.499 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cncc(N3CCCC3)n2)n[n-]1 ZINC001629029783 1290571734 /nfs/dbraw/zinc/57/17/34/1290571734.db2.gz PQPNPBQDTPELLT-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cncc(N3CCCC3)n2)[n-]1 ZINC001629029783 1290571742 /nfs/dbraw/zinc/57/17/42/1290571742.db2.gz PQPNPBQDTPELLT-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cncc(N3CCCC3)n2)n1 ZINC001629029783 1290571753 /nfs/dbraw/zinc/57/17/53/1290571753.db2.gz PQPNPBQDTPELLT-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CCNC(=O)NCc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC001629109342 1290576917 /nfs/dbraw/zinc/57/69/17/1290576917.db2.gz FOTSZPBHQWYDCN-UHFFFAOYSA-N -1 1 359.386 0.385 10 0 FCAEMM CSc1ncc(C(=O)NCC2(N3CCOCC3)CCOCC2)c(=O)[n-]1 ZINC001629531051 1290603652 /nfs/dbraw/zinc/60/36/52/1290603652.db2.gz QLFNNYOSFKLXHI-UHFFFAOYSA-N -1 1 368.459 0.515 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)CCc1nn[n-]n1)[C@H](O)c1ccc(Cl)cc1 ZINC001630008999 1290642884 /nfs/dbraw/zinc/64/28/84/1290642884.db2.gz ZOXHPBDYZKVYGG-ZIAGYGMSSA-N -1 1 367.793 0.567 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001630463075 1290670006 /nfs/dbraw/zinc/67/00/06/1290670006.db2.gz OBJZQPFHWYIXKK-CYBMUJFWSA-N -1 1 360.414 0.424 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC001631129642 1290715274 /nfs/dbraw/zinc/71/52/74/1290715274.db2.gz IIAGLSRLCLOUAA-NXEZZACHSA-N -1 1 365.342 0.454 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC001643241670 1290866261 /nfs/dbraw/zinc/86/62/61/1290866261.db2.gz MMMHMDKKHDLZIW-UHFFFAOYSA-N -1 1 371.397 0.749 10 0 FCAEMM CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244471 1290866431 /nfs/dbraw/zinc/86/64/31/1290866431.db2.gz QQUGBAMWADXAGA-BXUZGUMPSA-N -1 1 351.403 0.703 10 0 FCAEMM CN1C[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c2ccccc2C1=O ZINC001643244529 1290866887 /nfs/dbraw/zinc/86/68/87/1290866887.db2.gz RZTFQPAFEPDVOU-ZDUSSCGKSA-N -1 1 368.393 0.741 10 0 FCAEMM CCO[C@@H]1COCC[C@H]1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244474 1290867470 /nfs/dbraw/zinc/86/74/70/1290867470.db2.gz QQUGBAMWADXAGA-SMDDNHRTSA-N -1 1 351.403 0.703 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cn(Cc2cccs2)nn1 ZINC001643244429 1290867571 /nfs/dbraw/zinc/86/75/71/1290867571.db2.gz PBBSOVMGMXCBFR-UHFFFAOYSA-N -1 1 372.410 0.886 10 0 FCAEMM O=C(c1c(Br)nc2n1CCOC2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643386603 1290881878 /nfs/dbraw/zinc/88/18/78/1290881878.db2.gz FDCVILMQOUFVAN-ZETCQYMHSA-N -1 1 368.195 0.319 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)C1 ZINC001643390999 1290884320 /nfs/dbraw/zinc/88/43/20/1290884320.db2.gz JXOCIDAPVNFJSZ-BDJLRTHQSA-N -1 1 366.422 0.278 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)COCCNC(=O)c1ccccc1 ZINC001643823928 1290917655 /nfs/dbraw/zinc/91/76/55/1290917655.db2.gz HYLPQRVIUQBMTJ-UHFFFAOYSA-N -1 1 360.418 0.631 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC1N=NC(=O)N1C ZINC001643828250 1290920133 /nfs/dbraw/zinc/92/01/33/1290920133.db2.gz DHYDKXRNPCJNKU-UHFFFAOYSA-N -1 1 369.385 0.636 10 0 FCAEMM Cn1c(C=O)c(Br)cc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001644748805 1290980873 /nfs/dbraw/zinc/98/08/73/1290980873.db2.gz ZKDWLMLBYVXPTA-UHFFFAOYSA-N -1 1 353.180 0.922 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ncccn3)CCOCC2)co1 ZINC001645191608 1291006553 /nfs/dbraw/zinc/00/65/53/1291006553.db2.gz IZTZSNUJAJHWJN-UHFFFAOYSA-N -1 1 366.399 0.413 10 0 FCAEMM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001645990990 1291051450 /nfs/dbraw/zinc/05/14/50/1291051450.db2.gz HZCRZVFYGNTRGV-SECBINFHSA-N -1 1 353.375 0.830 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@@H](C)CS(C)(=O)=O)CCCC2)[n-]c1=O ZINC001647885215 1291080902 /nfs/dbraw/zinc/08/09/02/1291080902.db2.gz NSOGMSLTJAMPKZ-JTQLQIEISA-N -1 1 357.432 0.757 10 0 FCAEMM Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001648403103 1291120122 /nfs/dbraw/zinc/12/01/22/1291120122.db2.gz WJIHTFCKWQLAAA-QWHCGFSZSA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001648403103 1291120124 /nfs/dbraw/zinc/12/01/24/1291120124.db2.gz WJIHTFCKWQLAAA-QWHCGFSZSA-N -1 1 373.413 0.416 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001648445579 1291121026 /nfs/dbraw/zinc/12/10/26/1291121026.db2.gz UUQDBYPVHPBQJJ-MRXNPFEDSA-N -1 1 364.361 0.967 10 0 FCAEMM COCCCS(=O)(=O)NCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001648550883 1291129403 /nfs/dbraw/zinc/12/94/03/1291129403.db2.gz OSTRCDNZFOFFHH-LBPRGKRZSA-N -1 1 374.463 0.284 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001650748847 1291177981 /nfs/dbraw/zinc/17/79/81/1291177981.db2.gz OWQDBCSLDCXFLX-LJQANCHMSA-N -1 1 368.393 0.329 10 0 FCAEMM O=C(CNC(=O)c1ccc([O-])c(F)c1)NCC(=O)NCc1ccccc1 ZINC001651567419 1291228237 /nfs/dbraw/zinc/22/82/37/1291228237.db2.gz YNKSPKQGTZGPDW-UHFFFAOYSA-N -1 1 359.357 0.694 10 0 FCAEMM COC[C@@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001651847212 1291243309 /nfs/dbraw/zinc/24/33/09/1291243309.db2.gz ZBNUNLYMIUEMTK-GHMZBOCLSA-N -1 1 354.411 0.651 10 0 FCAEMM O=C(CN1Cc2ccccc2OC1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651874762 1291246553 /nfs/dbraw/zinc/24/65/53/1291246553.db2.gz QYNRTYNWDBLVDL-LBPRGKRZSA-N -1 1 356.386 0.995 10 0 FCAEMM COC(=O)c1cnc(CCNC(=O)CNC(=O)c2ncccc2[O-])s1 ZINC001653080072 1291321644 /nfs/dbraw/zinc/32/16/44/1291321644.db2.gz ZJYRPTTYOFJVMF-UHFFFAOYSA-N -1 1 364.383 0.119 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)[n-]c1=O ZINC001653331896 1291336363 /nfs/dbraw/zinc/33/63/63/1291336363.db2.gz AGTRXVSZWYLYCE-LBPRGKRZSA-N -1 1 359.386 0.728 10 0 FCAEMM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001653502822 1291348731 /nfs/dbraw/zinc/34/87/31/1291348731.db2.gz GDYHNVFJVQSQIX-PWECECGKSA-N -1 1 363.443 0.294 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]2C2CCCC2)o1 ZINC001653719772 1291365809 /nfs/dbraw/zinc/36/58/09/1291365809.db2.gz RNMQYSZJZFGZLO-LLVKDONJSA-N -1 1 355.416 0.448 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)NCC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001664745482 1291808064 /nfs/dbraw/zinc/80/80/64/1291808064.db2.gz KIWOGFKWGFUYOM-KWCYVHTRSA-N -1 1 359.434 0.376 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCN(c2cccnn2)CC1 ZINC001675456337 1292177625 /nfs/dbraw/zinc/17/76/25/1292177625.db2.gz DSDPZEGEQRHMJC-UHFFFAOYSA-N -1 1 371.401 0.077 10 0 FCAEMM COCCCOC1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001684869429 1292346611 /nfs/dbraw/zinc/34/66/11/1292346611.db2.gz PACNDKWKFKDDIF-UHFFFAOYSA-N -1 1 352.391 0.202 10 0 FCAEMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001686042784 1292742611 /nfs/dbraw/zinc/74/26/11/1292742611.db2.gz WRULVMCOYFYPQB-RFGFWPKPSA-N -1 1 374.441 0.797 10 0 FCAEMM COCCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001686146873 1292786959 /nfs/dbraw/zinc/78/69/59/1292786959.db2.gz IVJSWDPCRQJTOK-DGAVXFQQSA-N -1 1 363.414 0.700 10 0 FCAEMM O=C(NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cnc(C2CC2)[n-]c1=O ZINC001686628768 1292941242 /nfs/dbraw/zinc/94/12/42/1292941242.db2.gz JDNOMQMXMAEPMX-QXJJFIIZSA-N -1 1 358.398 0.329 10 0 FCAEMM NS(=O)(=O)CCCCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001686615021 1292942207 /nfs/dbraw/zinc/94/22/07/1292942207.db2.gz YYONYALGEHKFCI-UHFFFAOYSA-N -1 1 351.375 0.581 10 0 FCAEMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000749977048 836397880 /nfs/dbraw/zinc/39/78/80/836397880.db2.gz SAAIMMVGFJCPQK-UHFFFAOYSA-N -1 1 359.308 0.338 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c1F ZINC000751150591 836468907 /nfs/dbraw/zinc/46/89/07/836468907.db2.gz JAVYKBOKXNICMQ-ZETCQYMHSA-N -1 1 363.260 0.953 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC001117361724 846981434 /nfs/dbraw/zinc/98/14/34/846981434.db2.gz VMUBOSCRNIUSTE-VIFPVBQESA-N -1 1 370.412 0.108 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)[n-]1 ZINC001117361724 846981447 /nfs/dbraw/zinc/98/14/47/846981447.db2.gz VMUBOSCRNIUSTE-VIFPVBQESA-N -1 1 370.412 0.108 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccs1 ZINC001118189576 847317315 /nfs/dbraw/zinc/31/73/15/847317315.db2.gz FBJKMPSEHHJTTR-TUAOUCFPSA-N -1 1 353.444 0.837 10 0 FCAEMM COC(=O)c1coc(C[N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)n1 ZINC001118246675 847344376 /nfs/dbraw/zinc/34/43/76/847344376.db2.gz SSIZTDJHIPTTMD-LBPRGKRZSA-N -1 1 362.404 0.322 10 0 FCAEMM COC1(CS(=O)(=O)[N-]Cc2nnc(SC)s2)CCOCC1 ZINC001118308635 847374189 /nfs/dbraw/zinc/37/41/89/847374189.db2.gz YYZZWHDDAOGHKD-UHFFFAOYSA-N -1 1 353.491 0.875 10 0 FCAEMM O=C(CN1CCC[C@H](C(=O)[O-])C1)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC001119649725 847923738 /nfs/dbraw/zinc/92/37/38/847923738.db2.gz XNWYLBGPLMHFTE-GJZGRUSLSA-N -1 1 354.447 0.875 10 0 FCAEMM CN1CCC[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1=O ZINC001119805066 847985199 /nfs/dbraw/zinc/98/51/99/847985199.db2.gz RAEZLJKQLKOJSP-ZDUSSCGKSA-N -1 1 355.341 0.066 10 0 FCAEMM Clc1n[n-]c(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@@H]2CCOC2)n1 ZINC001123122898 848570831 /nfs/dbraw/zinc/57/08/31/848570831.db2.gz NCWAJWAHZLARDS-GARJFASQSA-N -1 1 365.825 0.836 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)[n-]1 ZINC001133459124 849153133 /nfs/dbraw/zinc/15/31/33/849153133.db2.gz BBVVEVUTMHTLEC-UHFFFAOYSA-N -1 1 371.415 0.614 10 0 FCAEMM O=C(Nc1ccn(CC(F)F)n1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001137184262 849257934 /nfs/dbraw/zinc/25/79/34/849257934.db2.gz VUXOTANZBAOHAH-UHFFFAOYSA-N -1 1 350.285 0.980 10 0 FCAEMM CON(C)C(=O)[C@H](CCSC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001137731333 849279828 /nfs/dbraw/zinc/27/98/28/849279828.db2.gz CCXLQKYVECHORI-NSHDSACASA-N -1 1 354.432 0.931 10 0 FCAEMM CC(C)(C)OC(=O)C1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC1 ZINC001138990879 849324142 /nfs/dbraw/zinc/32/41/42/849324142.db2.gz DLCLRAFBTDJUHA-UHFFFAOYSA-N -1 1 351.407 0.522 10 0 FCAEMM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)CCc2nn[n-]n2)CC1 ZINC001141736209 849408453 /nfs/dbraw/zinc/40/84/53/849408453.db2.gz VYDZMWROVSPDJV-LLVKDONJSA-N -1 1 358.468 0.041 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC001143606830 849496111 /nfs/dbraw/zinc/49/61/11/849496111.db2.gz GBIZNSHVNNKZCB-NSHDSACASA-N -1 1 350.379 0.812 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc(Br)n[nH]2)[n-]1 ZINC001146864638 849567733 /nfs/dbraw/zinc/56/77/33/849567733.db2.gz HCBUBASQEZNQPM-YFKPBYRVSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc(Br)n[nH]2)n[n-]1 ZINC001146864638 849567740 /nfs/dbraw/zinc/56/77/40/849567740.db2.gz HCBUBASQEZNQPM-YFKPBYRVSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc(Br)n[nH]2)n1 ZINC001146864638 849567750 /nfs/dbraw/zinc/56/77/50/849567750.db2.gz HCBUBASQEZNQPM-YFKPBYRVSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)n[n-]1 ZINC001146863931 849568666 /nfs/dbraw/zinc/56/86/66/849568666.db2.gz DOWDJVZEFLWSRX-GUBZILKMSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[n-]1 ZINC001146863931 849568670 /nfs/dbraw/zinc/56/86/70/849568670.db2.gz DOWDJVZEFLWSRX-GUBZILKMSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)n1 ZINC001146863931 849568676 /nfs/dbraw/zinc/56/86/76/849568676.db2.gz DOWDJVZEFLWSRX-GUBZILKMSA-N -1 1 355.395 0.929 10 0 FCAEMM CSCC[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1nn[n-]n1 ZINC001167448871 850545668 /nfs/dbraw/zinc/54/56/68/850545668.db2.gz OCHRKPWPLZWMEU-ZETCQYMHSA-N -1 1 355.811 0.571 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001176594895 850792844 /nfs/dbraw/zinc/79/28/44/850792844.db2.gz ZFMYVIILYMXFPR-UHFFFAOYSA-N -1 1 352.420 0.454 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)[n-]c1=O ZINC001178686799 850917404 /nfs/dbraw/zinc/91/74/04/850917404.db2.gz KWFQTCZCDNACDN-JTQLQIEISA-N -1 1 355.391 0.899 10 0 FCAEMM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001180060182 851010997 /nfs/dbraw/zinc/01/09/97/851010997.db2.gz USWQEJUATHXLPR-NXEZZACHSA-N -1 1 358.420 0.182 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)o1 ZINC001181233238 851096331 /nfs/dbraw/zinc/09/63/31/851096331.db2.gz VSIVOFXVTMAZEL-NEPJUHHUSA-N -1 1 374.459 0.419 10 0 FCAEMM C[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@](=O)C1 ZINC001254497058 857975116 /nfs/dbraw/zinc/97/51/16/857975116.db2.gz PQLBCKNFGROKQV-ZZDSUILFSA-N -1 1 354.432 0.165 10 0 FCAEMM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)C1=O ZINC001261215136 858497686 /nfs/dbraw/zinc/49/76/86/858497686.db2.gz TYPHOXCHJZIYPQ-UHFFFAOYSA-N -1 1 351.266 0.026 10 0 FCAEMM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001261482013 858563895 /nfs/dbraw/zinc/56/38/95/858563895.db2.gz XZSPFSXWJNNFAE-SUNKGSAMSA-N -1 1 369.443 0.704 10 0 FCAEMM CC1(CC(F)F)CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC001261499661 858570335 /nfs/dbraw/zinc/57/03/35/858570335.db2.gz QXZMPDSKIMCAHQ-UHFFFAOYSA-N -1 1 365.358 0.161 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)OCC(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264047244 859284805 /nfs/dbraw/zinc/28/48/05/859284805.db2.gz ZBRQXXNNCBBRQR-HZSPNIEDSA-N -1 1 353.467 0.639 10 0 FCAEMM COC[C@@H](OC)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001282475072 864286444 /nfs/dbraw/zinc/28/64/44/864286444.db2.gz RWZBQOHSXSSXGT-YRGRVCCFSA-N -1 1 351.403 0.273 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CNC(=O)C2)o1 ZINC001288634592 864798176 /nfs/dbraw/zinc/79/81/76/864798176.db2.gz XIRHRHJUJGKGIJ-SNVBAGLBSA-N -1 1 357.432 0.612 10 0 FCAEMM CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001295075778 865874664 /nfs/dbraw/zinc/87/46/64/865874664.db2.gz CAUWLXKNAPAFCY-SECBINFHSA-N -1 1 355.445 0.029 10 0 FCAEMM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C2 ZINC001297646336 866046814 /nfs/dbraw/zinc/04/68/14/866046814.db2.gz OMGWNTKNNPSMDU-SNVBAGLBSA-N -1 1 363.443 0.564 10 0 FCAEMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1OCCO[C@H]1C ZINC001297964956 866072704 /nfs/dbraw/zinc/07/27/04/866072704.db2.gz QMWAVWCZWMYNGL-ZOWXZIJZSA-N -1 1 351.403 0.462 10 0 FCAEMM Cc1nn(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(=O)o1 ZINC001300044257 866205953 /nfs/dbraw/zinc/20/59/53/866205953.db2.gz ZTHXVQGDZXYMIJ-CBAPKCEASA-N -1 1 350.297 0.203 10 0 FCAEMM Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302936798 866365882 /nfs/dbraw/zinc/36/58/82/866365882.db2.gz JVVKVDODDWZSLA-JTQLQIEISA-N -1 1 358.431 0.924 10 0 FCAEMM O=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1ccc2n[n-]c(=S)n2c1 ZINC001303104454 866380501 /nfs/dbraw/zinc/38/05/01/866380501.db2.gz NEEVVJNWLHAGIF-UHFFFAOYSA-N -1 1 358.383 0.545 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC001303200565 866390713 /nfs/dbraw/zinc/39/07/13/866390713.db2.gz BTKYMCHPSSCRHW-UHFFFAOYSA-N -1 1 367.435 0.143 10 0 FCAEMM COC(=O)COCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001351406737 866851739 /nfs/dbraw/zinc/85/17/39/866851739.db2.gz DZMKCCRFQGYQMP-UHFFFAOYSA-N -1 1 371.184 0.451 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)c2cn3c(n2)COCC3)C1)C(F)(F)F ZINC001351557301 866901311 /nfs/dbraw/zinc/90/13/11/866901311.db2.gz FSZCRYXMDWDGOZ-SNVBAGLBSA-N -1 1 360.336 0.944 10 0 FCAEMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)N1CCS(=O)(=O)CC1 ZINC001352829435 867268150 /nfs/dbraw/zinc/26/81/50/867268150.db2.gz CWPLVNGKAPKTFU-UHFFFAOYSA-N -1 1 353.375 0.797 10 0 FCAEMM CCOc1cc(C(=O)N2CC3(C2)C[C@H](O)CNC3=O)cc(Cl)c1[O-] ZINC001352951115 867301294 /nfs/dbraw/zinc/30/12/94/867301294.db2.gz RLHWETLYPFNCBT-JTQLQIEISA-N -1 1 354.790 0.767 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001354113208 867551730 /nfs/dbraw/zinc/55/17/30/867551730.db2.gz VMRHQFLCUKIPMM-UHFFFAOYSA-N -1 1 356.308 0.944 10 0 FCAEMM CCS(=O)(=O)c1cccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC001320241935 868119023 /nfs/dbraw/zinc/11/90/23/868119023.db2.gz IIFVTFBNOOFYGW-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CCS(=O)(=O)c1cccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC001320241935 868119030 /nfs/dbraw/zinc/11/90/30/868119030.db2.gz IIFVTFBNOOFYGW-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccc(C[S@](C)=O)c2)n[n-]1 ZINC001320662768 868235488 /nfs/dbraw/zinc/23/54/88/868235488.db2.gz TXIHHLHEAQCOJK-DEOSSOPVSA-N -1 1 350.400 0.790 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(C[S@](C)=O)c2)n1 ZINC001320662768 868235502 /nfs/dbraw/zinc/23/55/02/868235502.db2.gz TXIHHLHEAQCOJK-DEOSSOPVSA-N -1 1 350.400 0.790 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001320931974 868323104 /nfs/dbraw/zinc/32/31/04/868323104.db2.gz BUIUFMSYIMBUQM-DTWKUNHWSA-N -1 1 370.431 0.399 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1 ZINC001327385362 870831896 /nfs/dbraw/zinc/83/18/96/870831896.db2.gz BPUVATSWWHJOKP-CABZTGNLSA-N -1 1 360.388 0.367 10 0 FCAEMM CO[C@@H]1CCCN(c2nnc(-c3cc(S(N)(=O)=O)ccc3[O-])n2C)C1 ZINC001346301358 871760336 /nfs/dbraw/zinc/76/03/36/871760336.db2.gz YZQRKZAGGGZASG-SNVBAGLBSA-N -1 1 367.431 0.450 10 0 FCAEMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001329376881 871987413 /nfs/dbraw/zinc/98/74/13/871987413.db2.gz VUHINOPGQDWKRI-SECBINFHSA-N -1 1 356.370 0.438 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC001346766622 871991908 /nfs/dbraw/zinc/99/19/08/871991908.db2.gz VDOLVQHUGDCBQE-OUAUKWLOSA-N -1 1 356.400 0.636 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@]23CCOC3)C1 ZINC001329496791 872070317 /nfs/dbraw/zinc/07/03/17/872070317.db2.gz FRRCVJQCSDQCKQ-UONOGXRCSA-N -1 1 363.336 0.047 10 0 FCAEMM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nn1C1CCOCC1 ZINC001329639474 872149178 /nfs/dbraw/zinc/14/91/78/872149178.db2.gz DYJXEBFFPFTGIJ-UHFFFAOYSA-N -1 1 354.392 0.317 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nn1C1CCOCC1 ZINC001329639474 872149186 /nfs/dbraw/zinc/14/91/86/872149186.db2.gz DYJXEBFFPFTGIJ-UHFFFAOYSA-N -1 1 354.392 0.317 10 0 FCAEMM C[C@@]1(C(F)F)CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001348060300 872587378 /nfs/dbraw/zinc/58/73/78/872587378.db2.gz HRUBWIOCRSSLCM-AWEZNQCLSA-N -1 1 354.365 0.652 10 0 FCAEMM C[C@@]1(C(F)F)CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001348060300 872587384 /nfs/dbraw/zinc/58/73/84/872587384.db2.gz HRUBWIOCRSSLCM-AWEZNQCLSA-N -1 1 354.365 0.652 10 0 FCAEMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2nnc3ccc(Cl)cn32)C1 ZINC001332669969 873609412 /nfs/dbraw/zinc/60/94/12/873609412.db2.gz CHMNKJUTJHSLKF-SNVBAGLBSA-N -1 1 351.794 0.796 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cncc(-c2nncn2C)c1)[C@@H]1CCOC1 ZINC001333146263 873823002 /nfs/dbraw/zinc/82/30/02/873823002.db2.gz WJSFAQIRBYKUHR-RISCZKNCSA-N -1 1 367.431 0.670 10 0 FCAEMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000292171650 214083328 /nfs/dbraw/zinc/08/33/28/214083328.db2.gz IPBMWRKGLKFOBQ-LLVKDONJSA-N -1 1 373.456 0.550 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cnc2n1 ZINC000361359199 215390845 /nfs/dbraw/zinc/39/08/45/215390845.db2.gz WIIPGDVIPLUDIZ-UHFFFAOYSA-N -1 1 369.381 0.800 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC3(CC1)NC(=O)N(C)C3=O)c2=O ZINC000361359199 215390847 /nfs/dbraw/zinc/39/08/47/215390847.db2.gz WIIPGDVIPLUDIZ-UHFFFAOYSA-N -1 1 369.381 0.800 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000361491020 215395860 /nfs/dbraw/zinc/39/58/60/215395860.db2.gz PFWGJVDPDWBBJE-LLVKDONJSA-N -1 1 367.431 0.320 10 0 FCAEMM Cn1c2ncn(CCSc3nc(C4CC4)cc(=O)[n-]3)c2c(=O)n(C)c1=O ZINC000277504787 212367337 /nfs/dbraw/zinc/36/73/37/212367337.db2.gz FCHHVCDQTLJZFQ-UHFFFAOYSA-N -1 1 374.426 0.599 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)c(C)c1 ZINC000275318300 212005801 /nfs/dbraw/zinc/00/58/01/212005801.db2.gz OVQWLTMRUNMOBT-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C)c1 ZINC000275318300 212005806 /nfs/dbraw/zinc/00/58/06/212005806.db2.gz OVQWLTMRUNMOBT-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000275059873 211955098 /nfs/dbraw/zinc/95/50/98/211955098.db2.gz YQZLTKRGFKBVHZ-CQSZACIVSA-N -1 1 370.427 0.691 10 0 FCAEMM O=C([O-])c1cc(S(=O)(=O)NCc2nnc[nH]2)c(Br)s1 ZINC000037919356 205035965 /nfs/dbraw/zinc/03/59/65/205035965.db2.gz BQEGREHEBIJKQO-UHFFFAOYSA-N -1 1 367.206 0.805 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCN(c3ncccn3)C1)c2=O ZINC000181802323 209121347 /nfs/dbraw/zinc/12/13/47/209121347.db2.gz CUJRLXOONTTWKO-LLVKDONJSA-N -1 1 353.386 0.863 10 0 FCAEMM C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000419477028 246177022 /nfs/dbraw/zinc/17/70/22/246177022.db2.gz HGENGVSMYBRPAE-IUCAKERBSA-N -1 1 350.345 0.420 10 0 FCAEMM C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[C@@H](C)CN1CCO ZINC000419477028 246177028 /nfs/dbraw/zinc/17/70/28/246177028.db2.gz HGENGVSMYBRPAE-IUCAKERBSA-N -1 1 350.345 0.420 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000424488459 247236414 /nfs/dbraw/zinc/23/64/14/247236414.db2.gz KRUMMUYXWDAWPW-RBSFLKMASA-N -1 1 371.478 0.465 10 0 FCAEMM CCOC(=O)C1(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCOCC1 ZINC000425322717 247324392 /nfs/dbraw/zinc/32/43/92/247324392.db2.gz NSUAXJMYBYJCCJ-UHFFFAOYSA-N -1 1 353.375 0.841 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000439145735 248111610 /nfs/dbraw/zinc/11/16/10/248111610.db2.gz KEJMJYVSBVRXPO-UWVGGRQHSA-N -1 1 364.383 0.722 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)[n-]1 ZINC000439145735 248111614 /nfs/dbraw/zinc/11/16/14/248111614.db2.gz KEJMJYVSBVRXPO-UWVGGRQHSA-N -1 1 364.383 0.722 10 0 FCAEMM COCCOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000270420539 211199494 /nfs/dbraw/zinc/19/94/94/211199494.db2.gz RJIIFRFJZVNDFN-UHFFFAOYSA-N -1 1 374.415 0.015 10 0 FCAEMM O=C(Cn1cnc2c3ccccc3oc2c1=O)NC1(c2nn[n-]n2)CC1 ZINC000470976003 250082332 /nfs/dbraw/zinc/08/23/32/250082332.db2.gz QXOMCOSHXPMJKE-UHFFFAOYSA-N -1 1 351.326 0.461 10 0 FCAEMM O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1(c2nn[n-]n2)CC1 ZINC000470976848 250083673 /nfs/dbraw/zinc/08/36/73/250083673.db2.gz RUZHKQPXLCBVSB-UHFFFAOYSA-N -1 1 354.292 0.754 10 0 FCAEMM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470983391 250084260 /nfs/dbraw/zinc/08/42/60/250084260.db2.gz GDYZWOIMUKGHMW-GFCCVEGCSA-N -1 1 357.353 0.223 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1c1ncnc2sccc21 ZINC000470980960 250084914 /nfs/dbraw/zinc/08/49/14/250084914.db2.gz ALCVZKVKEHDPJL-SNVBAGLBSA-N -1 1 356.415 0.979 10 0 FCAEMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000471883247 250123051 /nfs/dbraw/zinc/12/30/51/250123051.db2.gz DKOXASUQBXMDED-JTQLQIEISA-N -1 1 359.404 0.538 10 0 FCAEMM COC[C@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472643464 250169553 /nfs/dbraw/zinc/16/95/53/250169553.db2.gz ZYXNCDPPZAUAMK-HZMBPMFUSA-N -1 1 361.416 0.872 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000067020498 208023231 /nfs/dbraw/zinc/02/32/31/208023231.db2.gz XLTFXCXYSQXZAF-HNNXBMFYSA-N -1 1 365.393 0.625 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000131688940 208544852 /nfs/dbraw/zinc/54/48/52/208544852.db2.gz MJKAPFABBVFDNM-LLVKDONJSA-N -1 1 369.429 0.987 10 0 FCAEMM CN1CCN(CCNS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000287418309 488867678 /nfs/dbraw/zinc/86/76/78/488867678.db2.gz PHVQLSBRMAJCRH-UHFFFAOYSA-N -1 1 352.382 0.626 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)o1 ZINC000363945993 488904070 /nfs/dbraw/zinc/90/40/70/488904070.db2.gz CVNOHJKUSIDGHD-UHFFFAOYSA-N -1 1 361.383 0.698 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)o1 ZINC000030601479 487746041 /nfs/dbraw/zinc/74/60/41/487746041.db2.gz MBWDPWFOIUNIKA-UHFFFAOYSA-N -1 1 352.368 0.904 10 0 FCAEMM CC(C)NC(=O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000074272593 488389787 /nfs/dbraw/zinc/38/97/87/488389787.db2.gz DVYSFOPANYBDBJ-UHFFFAOYSA-N -1 1 357.414 0.618 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc2nnn(C)c2c1 ZINC000186363901 488406291 /nfs/dbraw/zinc/40/62/91/488406291.db2.gz NXOPYMNTPMQDOT-UHFFFAOYSA-N -1 1 351.370 0.851 10 0 FCAEMM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(I)c([O-])c1 ZINC000230903644 488452862 /nfs/dbraw/zinc/45/28/62/488452862.db2.gz PSVREYIMDVDDMU-QMMMGPOBSA-N -1 1 374.134 0.532 10 0 FCAEMM C[C@@H](NC(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)c1nn[n-]n1 ZINC000091452591 488464039 /nfs/dbraw/zinc/46/40/39/488464039.db2.gz AWNMEAHBDQEPSL-MRVPVSSYSA-N -1 1 359.321 0.904 10 0 FCAEMM NS(=O)(=O)c1ccc(CNC(=O)CSc2nccc(=O)[n-]2)cc1 ZINC000247777268 488489852 /nfs/dbraw/zinc/48/98/52/488489852.db2.gz XUIHEOSRNKYMFZ-UHFFFAOYSA-N -1 1 354.413 0.238 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(=O)NCc1ccco1 ZINC000103942355 488503313 /nfs/dbraw/zinc/50/33/13/488503313.db2.gz VFGPZLKWVQZPAT-UHFFFAOYSA-N -1 1 357.370 0.208 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112660151 488535425 /nfs/dbraw/zinc/53/54/25/488535425.db2.gz LNPPABDBTQRFON-LBPRGKRZSA-N -1 1 355.402 0.707 10 0 FCAEMM CC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])COC1 ZINC000273049666 488628076 /nfs/dbraw/zinc/62/80/76/488628076.db2.gz JIDPLEBIBNJOEM-UHFFFAOYSA-N -1 1 356.400 0.388 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cncnc1 ZINC000274184329 488688988 /nfs/dbraw/zinc/68/89/88/488688988.db2.gz JFXNEHLOMPRVLZ-UHFFFAOYSA-N -1 1 364.383 0.455 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)co1 ZINC000153526045 488731906 /nfs/dbraw/zinc/73/19/06/488731906.db2.gz VCJJUUPKFSIPGT-VIFPVBQESA-N -1 1 354.432 0.899 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1cnn2cc(Br)cnc12)c1nn[n-]n1 ZINC000274751698 488732132 /nfs/dbraw/zinc/73/21/32/488732132.db2.gz HPIONPPVEXTKMA-ZETCQYMHSA-N -1 1 365.195 0.881 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274965768 488748980 /nfs/dbraw/zinc/74/89/80/488748980.db2.gz VNJIIWPTZFWIMN-JTQLQIEISA-N -1 1 373.412 0.161 10 0 FCAEMM CCS(=O)(=O)NCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000274988075 488750949 /nfs/dbraw/zinc/75/09/49/488750949.db2.gz YTBXFYHYLVNEER-UHFFFAOYSA-N -1 1 366.417 0.074 10 0 FCAEMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)C[C@@H](C)O1 ZINC000267697831 488813262 /nfs/dbraw/zinc/81/32/62/488813262.db2.gz PRJQBCQHCJRXRU-JHJVBQTASA-N -1 1 350.419 0.200 10 0 FCAEMM Cc1ccccc1C(=O)N[C@H](C(=O)NCCCc1nc(=O)[n-][nH]1)C(C)C ZINC000174580036 488849967 /nfs/dbraw/zinc/84/99/67/488849967.db2.gz SQZISMBYQKJENQ-HNNXBMFYSA-N -1 1 359.430 0.910 10 0 FCAEMM O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NCCc1nc(=O)o[n-]1 ZINC000280023111 488980699 /nfs/dbraw/zinc/98/06/99/488980699.db2.gz DOHLZEHLVFLIOM-UHFFFAOYSA-N -1 1 361.383 0.111 10 0 FCAEMM COCCN1CCCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CC1=O ZINC000364924509 489018627 /nfs/dbraw/zinc/01/86/27/489018627.db2.gz VCZZISOXUHMDFK-UHFFFAOYSA-N -1 1 363.414 0.132 10 0 FCAEMM CCn1nccc1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289422908 489065941 /nfs/dbraw/zinc/06/59/41/489065941.db2.gz CCGUOZQXOJBYTK-JTQLQIEISA-N -1 1 368.381 0.982 10 0 FCAEMM CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289480624 489070595 /nfs/dbraw/zinc/07/05/95/489070595.db2.gz RQRDQMZXKWGEOZ-ZDUSSCGKSA-N -1 1 372.429 0.618 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)ccc2N1C ZINC000289802058 489093963 /nfs/dbraw/zinc/09/39/63/489093963.db2.gz YNTQAYGPVPJPLS-PWSUYJOCSA-N -1 1 370.413 0.895 10 0 FCAEMM O=C(CN1C(=O)COc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282975085 489203344 /nfs/dbraw/zinc/20/33/44/489203344.db2.gz SOUIYNIRASHXCC-LLVKDONJSA-N -1 1 357.370 0.230 10 0 FCAEMM CCOC(=O)C1(O)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000282982808 489203949 /nfs/dbraw/zinc/20/39/49/489203949.db2.gz HBYLXVXBXKECKW-UHFFFAOYSA-N -1 1 350.400 0.548 10 0 FCAEMM O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283003550 489205224 /nfs/dbraw/zinc/20/52/24/489205224.db2.gz VUNRJSLLOFFYLG-ZDUSSCGKSA-N -1 1 353.386 0.758 10 0 FCAEMM COc1cccc(C(=O)NCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000283014825 489206845 /nfs/dbraw/zinc/20/68/45/489206845.db2.gz WSSFXTYXOZIJSE-GFCCVEGCSA-N -1 1 359.386 0.243 10 0 FCAEMM C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)NC1=O ZINC000283031677 489208558 /nfs/dbraw/zinc/20/85/58/489208558.db2.gz YMZUWJHEIGRUGL-NXEZZACHSA-N -1 1 357.370 0.837 10 0 FCAEMM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283072017 489213171 /nfs/dbraw/zinc/21/31/71/489213171.db2.gz AQSBBIGNAUIXDF-GFCCVEGCSA-N -1 1 373.413 0.633 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCCCO1)[N-]CC(F)F ZINC000349461536 489291592 /nfs/dbraw/zinc/29/15/92/489291592.db2.gz HWKARGMGRZYNAT-UHFFFAOYSA-N -1 1 350.409 0.308 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)c(C(F)(F)F)n1 ZINC000555351249 491247799 /nfs/dbraw/zinc/24/77/99/491247799.db2.gz BAJQAEHXNLAVBB-SCZZXKLOSA-N -1 1 373.397 0.875 10 0 FCAEMM O=C(CN1C(=O)CSc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370856373 489413360 /nfs/dbraw/zinc/41/33/60/489413360.db2.gz LCPCSTPWNUZWIY-LLVKDONJSA-N -1 1 360.399 0.239 10 0 FCAEMM CN(CCCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)C(=O)OC(C)(C)C ZINC000370867644 489417087 /nfs/dbraw/zinc/41/70/87/489417087.db2.gz LDIGFFDHRMUUOC-LLVKDONJSA-N -1 1 354.411 0.747 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000451626275 489512773 /nfs/dbraw/zinc/51/27/73/489512773.db2.gz SJCBDVNTZFBJBB-SECBINFHSA-N -1 1 357.413 0.415 10 0 FCAEMM CCc1ncc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)o1 ZINC000451955125 489534084 /nfs/dbraw/zinc/53/40/84/489534084.db2.gz CUVPUQDEWZSBCT-UHFFFAOYSA-N -1 1 373.456 0.966 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(I)cn1 ZINC000456026618 489605571 /nfs/dbraw/zinc/60/55/71/489605571.db2.gz QSWYXIMNUJVNEI-UHFFFAOYSA-N -1 1 356.127 0.618 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000427616711 489615440 /nfs/dbraw/zinc/61/54/40/489615440.db2.gz ZBUCQHJMHFCYSJ-GNXNZQSNSA-N -1 1 367.427 0.920 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1[N-]S(C)(=O)=O ZINC000430374476 489733287 /nfs/dbraw/zinc/73/32/87/489733287.db2.gz ABOXNXSQBOHPAH-NWDGAFQWSA-N -1 1 367.427 0.920 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCCO)cc1)C1CC1 ZINC000563958162 491279902 /nfs/dbraw/zinc/27/99/02/491279902.db2.gz NOAYZWLOBQAJJF-OAHLLOKOSA-N -1 1 356.444 0.966 10 0 FCAEMM C[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432310349 489837285 /nfs/dbraw/zinc/83/72/85/489837285.db2.gz AMLGHUOLCNHEDU-CABZTGNLSA-N -1 1 366.436 0.901 10 0 FCAEMM Cc1cnc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000460192187 489854747 /nfs/dbraw/zinc/85/47/47/489854747.db2.gz WAEUOWLFWYGSMW-UHFFFAOYSA-N -1 1 370.413 0.354 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)c([O-])c1 ZINC000460197762 489855229 /nfs/dbraw/zinc/85/52/29/489855229.db2.gz KDHPQLULTXKSND-UHFFFAOYSA-N -1 1 353.386 0.804 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000377143569 489857994 /nfs/dbraw/zinc/85/79/94/489857994.db2.gz VUJPVZVMHPFTCN-LBPRGKRZSA-N -1 1 356.448 0.437 10 0 FCAEMM CO[C@H](C)[C@@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000461271092 489901098 /nfs/dbraw/zinc/90/10/98/489901098.db2.gz OLSVPCAALILJLQ-DGCLKSJQSA-N -1 1 352.435 0.799 10 0 FCAEMM COc1cc(N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)ncn1 ZINC000461413437 489909406 /nfs/dbraw/zinc/90/94/06/489909406.db2.gz CGXJJXPMNFTYQQ-UHFFFAOYSA-N -1 1 366.381 0.684 10 0 FCAEMM Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC000377598905 489929751 /nfs/dbraw/zinc/92/97/51/489929751.db2.gz HYOITSZOOAVJLV-JSGCOSHPSA-N -1 1 356.386 0.461 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000477022959 489931725 /nfs/dbraw/zinc/93/17/25/489931725.db2.gz FOHAAFOHGPMWAG-LLVKDONJSA-N -1 1 370.369 0.129 10 0 FCAEMM O=C(CNC(=O)c1ccccc1C(F)(F)F)NC1(c2nn[n-]n2)CC1 ZINC000477026953 489932770 /nfs/dbraw/zinc/93/27/70/489932770.db2.gz AKVYSFJZWSHWIZ-UHFFFAOYSA-N -1 1 354.292 0.754 10 0 FCAEMM CC(=O)N[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(F)cc1F ZINC000477028407 489933882 /nfs/dbraw/zinc/93/38/82/489933882.db2.gz FCVCVSXKHOWHHK-LBPRGKRZSA-N -1 1 350.329 0.851 10 0 FCAEMM COc1ccc([C@@H]2[C@H](C(=O)NC3(c4nn[n-]n4)CC3)CCC(=O)N2C)cc1 ZINC000477038302 489935369 /nfs/dbraw/zinc/93/53/69/489935369.db2.gz YVKWVKWBGWYRNE-UKRRQHHQSA-N -1 1 370.413 0.923 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000477065546 489938720 /nfs/dbraw/zinc/93/87/20/489938720.db2.gz XCHWVDQJXQVJKY-CYBMUJFWSA-N -1 1 361.406 0.667 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000377942428 489984199 /nfs/dbraw/zinc/98/41/99/489984199.db2.gz GXAOVBZUYYNHQL-NSHDSACASA-N -1 1 372.399 0.124 10 0 FCAEMM O=S(=O)(CC[N-]S(=O)(=O)c1c(F)cccc1Cl)NC1CC1 ZINC000463700137 490025542 /nfs/dbraw/zinc/02/55/42/490025542.db2.gz UNUKPBSOPZYVIV-UHFFFAOYSA-N -1 1 356.828 0.839 10 0 FCAEMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793568 490117112 /nfs/dbraw/zinc/11/71/12/490117112.db2.gz DZOOEDHPAXMKIW-NSHDSACASA-N -1 1 369.385 0.412 10 0 FCAEMM O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793555 490117198 /nfs/dbraw/zinc/11/71/98/490117198.db2.gz CHCGUUKQVUCGDX-SNVBAGLBSA-N -1 1 361.431 0.732 10 0 FCAEMM O=C([O-])CSCC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000389848287 490136033 /nfs/dbraw/zinc/13/60/33/490136033.db2.gz BCDNWEQSQPDVQM-UHFFFAOYSA-N -1 1 351.472 0.738 10 0 FCAEMM CC(C)C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCCCC1=O ZINC000446862787 490166835 /nfs/dbraw/zinc/16/68/35/490166835.db2.gz TVTRGMCXHHCKDH-JTQLQIEISA-N -1 1 357.436 0.574 10 0 FCAEMM CC(C)C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCCCC1=O ZINC000446862787 490166840 /nfs/dbraw/zinc/16/68/40/490166840.db2.gz TVTRGMCXHHCKDH-JTQLQIEISA-N -1 1 357.436 0.574 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000533113709 490177657 /nfs/dbraw/zinc/17/76/57/490177657.db2.gz LNXNTNZKBWXLRD-SNVBAGLBSA-N -1 1 350.404 0.591 10 0 FCAEMM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000547462527 490296244 /nfs/dbraw/zinc/29/62/44/490296244.db2.gz FVILIQWYTLZOAA-UHFFFAOYSA-N -1 1 372.428 0.643 10 0 FCAEMM CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000547462527 490296252 /nfs/dbraw/zinc/29/62/52/490296252.db2.gz FVILIQWYTLZOAA-UHFFFAOYSA-N -1 1 372.428 0.643 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC3CCC2CC3)o1 ZINC000483375314 490311838 /nfs/dbraw/zinc/31/18/38/490311838.db2.gz IFVKGKGAYLVKAW-VQXHTEKXSA-N -1 1 355.416 0.352 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cnc(C3CC3)nc2)o1 ZINC000534406457 490362865 /nfs/dbraw/zinc/36/28/65/490362865.db2.gz UVOYWHZNIFFXBF-UHFFFAOYSA-N -1 1 350.400 0.828 10 0 FCAEMM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000547910591 490384861 /nfs/dbraw/zinc/38/48/61/490384861.db2.gz CGJHIMBTFQOWDH-STQMWFEESA-N -1 1 362.448 0.140 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2nsnc21 ZINC000548542776 490501673 /nfs/dbraw/zinc/50/16/73/490501673.db2.gz LYRSEYZKFVNYMH-LLVKDONJSA-N -1 1 370.456 0.909 10 0 FCAEMM CN(C)S(=O)(=O)CCCS(=O)(=O)c1nnc(-c2ccccc2)[n-]1 ZINC000571865471 491333874 /nfs/dbraw/zinc/33/38/74/491333874.db2.gz HRZFZOGOSGZHSB-UHFFFAOYSA-N -1 1 358.445 0.527 10 0 FCAEMM CN(C)S(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000571865471 491333877 /nfs/dbraw/zinc/33/38/77/491333877.db2.gz HRZFZOGOSGZHSB-UHFFFAOYSA-N -1 1 358.445 0.527 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000535838106 490535786 /nfs/dbraw/zinc/53/57/86/490535786.db2.gz KZZUDOTXPSUCDR-QGZVFWFLSA-N -1 1 364.423 0.961 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(C(F)(F)F)n1 ZINC000549325909 490576136 /nfs/dbraw/zinc/57/61/36/490576136.db2.gz UJLYHOGHZUIUMO-UHFFFAOYSA-N -1 1 366.321 0.627 10 0 FCAEMM COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000525332938 490598138 /nfs/dbraw/zinc/59/81/38/490598138.db2.gz HHEMADQFRWWJTJ-LLVKDONJSA-N -1 1 361.402 0.585 10 0 FCAEMM COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000525332938 490598139 /nfs/dbraw/zinc/59/81/39/490598139.db2.gz HHEMADQFRWWJTJ-LLVKDONJSA-N -1 1 361.402 0.585 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1=O ZINC000549774363 490602948 /nfs/dbraw/zinc/60/29/48/490602948.db2.gz RWQUKPVUOZCVFR-VGMNWLOBSA-N -1 1 366.365 0.727 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)nnn1Cc1ccncc1 ZINC000512710061 490694881 /nfs/dbraw/zinc/69/48/81/490694881.db2.gz MEANBEYWQFHACW-UHFFFAOYSA-N -1 1 353.390 0.742 10 0 FCAEMM CCC[C@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000539971698 490803474 /nfs/dbraw/zinc/80/34/74/490803474.db2.gz JNCBTKMTCLJOHH-INIZCTEOSA-N -1 1 372.443 0.903 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCO1 ZINC000529739072 490869750 /nfs/dbraw/zinc/86/97/50/490869750.db2.gz IVZZURFHEZXNSS-SNVBAGLBSA-N -1 1 372.219 0.925 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000542020817 490882341 /nfs/dbraw/zinc/88/23/41/490882341.db2.gz NBFWGSZVFCPIPE-UHFFFAOYSA-N -1 1 374.401 0.532 10 0 FCAEMM Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000530575101 490913321 /nfs/dbraw/zinc/91/33/21/490913321.db2.gz NVGMPSUOKNNUEU-UHFFFAOYSA-N -1 1 360.418 0.064 10 0 FCAEMM CCNC(=O)C1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000531253221 490948239 /nfs/dbraw/zinc/94/82/39/490948239.db2.gz OOEMDYAGLJWANU-UHFFFAOYSA-N -1 1 355.398 0.277 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)n1 ZINC000557669431 491389963 /nfs/dbraw/zinc/38/99/63/491389963.db2.gz GGSFCENGCHNKHF-UHFFFAOYSA-N -1 1 350.404 1.229 10 0 FCAEMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)[C@@H]1n1cccn1 ZINC000568034163 491548987 /nfs/dbraw/zinc/54/89/87/491548987.db2.gz KQYKQHZTJPOHEU-SUHUHFCYSA-N -1 1 368.415 0.533 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C1CC1 ZINC000569217814 491642578 /nfs/dbraw/zinc/64/25/78/491642578.db2.gz UQPQNAKRQCQEOQ-GHMZBOCLSA-N -1 1 370.435 0.896 10 0 FCAEMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)nc1 ZINC000569221824 491643433 /nfs/dbraw/zinc/64/34/33/491643433.db2.gz DHTGBYGRAUXDPU-UHFFFAOYSA-N -1 1 369.428 0.727 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC000579354027 491696141 /nfs/dbraw/zinc/69/61/41/491696141.db2.gz OWQFTPCVXUYOSG-WCQYABFASA-N -1 1 357.370 0.775 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)nc2n1 ZINC000588006531 491737123 /nfs/dbraw/zinc/73/71/23/491737123.db2.gz MTYGNQWMUKDWPA-PHIMTYICSA-N -1 1 372.385 0.230 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)nc2n1 ZINC000588006731 491737329 /nfs/dbraw/zinc/73/73/29/491737329.db2.gz SRZPGCQWOZNCSB-LLVKDONJSA-N -1 1 352.354 0.718 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C2CC2)C2COC2)c(F)c1 ZINC000582528170 491816302 /nfs/dbraw/zinc/81/63/02/491816302.db2.gz KSJNKVQACRGGBK-UHFFFAOYSA-N -1 1 364.420 0.749 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCSC1 ZINC000592042043 491828915 /nfs/dbraw/zinc/82/89/15/491828915.db2.gz YFSCSPUYIZJSMD-GXTWGEPZSA-N -1 1 367.489 0.396 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)o1 ZINC000592088123 491831359 /nfs/dbraw/zinc/83/13/59/491831359.db2.gz VOKUMUGOYWHFGO-HNNXBMFYSA-N -1 1 361.416 0.912 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccnn1C ZINC000592096273 491832082 /nfs/dbraw/zinc/83/20/82/491832082.db2.gz KCCZZIPPMGMHDV-YGRLFVJLSA-N -1 1 367.431 0.707 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)o1 ZINC000594849919 491866399 /nfs/dbraw/zinc/86/63/99/491866399.db2.gz RLFODBSVXGNOJQ-ZJUUUORDSA-N -1 1 365.429 0.700 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC ZINC000594862632 491867530 /nfs/dbraw/zinc/86/75/30/491867530.db2.gz BLDJPNVGSJWANA-JTNHKYCSSA-N -1 1 353.412 0.929 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC ZINC000594862634 491867813 /nfs/dbraw/zinc/86/78/13/491867813.db2.gz BLDJPNVGSJWANA-SUNKGSAMSA-N -1 1 353.412 0.929 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)o1 ZINC000600560958 491868755 /nfs/dbraw/zinc/86/87/55/491868755.db2.gz XFOLYCINUJVQNB-SRVKXCTJSA-N -1 1 370.427 0.992 10 0 FCAEMM O=C(N[C@H]1CCOC[C@@H]1O)c1cc(I)ccc1[O-] ZINC000600594482 491870192 /nfs/dbraw/zinc/87/01/92/491870192.db2.gz YGFVYEXJIVAQAC-ONGXEEELSA-N -1 1 363.151 0.876 10 0 FCAEMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601419441 491916710 /nfs/dbraw/zinc/91/67/10/491916710.db2.gz JGEQFPUUCGFIMF-OAHLLOKOSA-N -1 1 356.444 0.902 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)cc1C ZINC000595332436 491920750 /nfs/dbraw/zinc/92/07/50/491920750.db2.gz DRKQROCMSQFJFN-GFCCVEGCSA-N -1 1 360.432 0.500 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCC(F)(F)C1)c1ccnn1C ZINC000601451956 491920998 /nfs/dbraw/zinc/92/09/98/491920998.db2.gz CNZDNARURVWHTR-MWLCHTKSSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)cc1C ZINC000595347245 491922923 /nfs/dbraw/zinc/92/29/23/491922923.db2.gz PALKWVYKQTUUAI-NSHDSACASA-N -1 1 371.371 0.301 10 0 FCAEMM O=C(N[C@@H](Cc1cccnc1)C(=O)NCc1nn[n-]n1)c1ccccc1 ZINC000603469750 492034021 /nfs/dbraw/zinc/03/40/21/492034021.db2.gz PSHMGIXZWHPITO-AWEZNQCLSA-N -1 1 351.370 0.252 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@H]2CN3CCN2CCC3)c1 ZINC000597625140 492052228 /nfs/dbraw/zinc/05/22/28/492052228.db2.gz GPUJDLWWYJDWSV-BSEYFRJRSA-N -1 1 351.472 0.309 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266408 492083159 /nfs/dbraw/zinc/08/31/59/492083159.db2.gz STSUBDYIWDPFKT-OLZOCXBDSA-N -1 1 373.413 0.680 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266408 492083160 /nfs/dbraw/zinc/08/31/60/492083160.db2.gz STSUBDYIWDPFKT-OLZOCXBDSA-N -1 1 373.413 0.680 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)o1 ZINC000598155585 492086277 /nfs/dbraw/zinc/08/62/77/492086277.db2.gz AFQNNPGVVKXRJD-HNNXBMFYSA-N -1 1 374.415 0.418 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccc(OCC(F)F)n2)n[n-]1 ZINC000615918510 492107232 /nfs/dbraw/zinc/10/72/32/492107232.db2.gz UGZLNCXHQUBWCO-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(OCC(F)F)n2)n1 ZINC000615918510 492107235 /nfs/dbraw/zinc/10/72/35/492107235.db2.gz UGZLNCXHQUBWCO-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(OC)c3c(c2)OCCO3)n[n-]1 ZINC000615916576 492107410 /nfs/dbraw/zinc/10/74/10/492107410.db2.gz DOXNBGYCGAJSKH-UHFFFAOYSA-N -1 1 362.342 0.691 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(OC)c3c(c2)OCCO3)n1 ZINC000615916576 492107411 /nfs/dbraw/zinc/10/74/11/492107411.db2.gz DOXNBGYCGAJSKH-UHFFFAOYSA-N -1 1 362.342 0.691 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)CC)cc2)n[n-]1 ZINC000615920260 492108138 /nfs/dbraw/zinc/10/81/38/492108138.db2.gz UAZPTFMNGMYPEZ-UHFFFAOYSA-N -1 1 366.399 0.705 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(=O)(=O)CC)cc2)n1 ZINC000615920260 492108140 /nfs/dbraw/zinc/10/81/40/492108140.db2.gz UAZPTFMNGMYPEZ-UHFFFAOYSA-N -1 1 366.399 0.705 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)n[n-]1 ZINC000616030167 492114837 /nfs/dbraw/zinc/11/48/37/492114837.db2.gz VXHWWWQNELPDSA-ZJUUUORDSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)n1 ZINC000616030167 492114838 /nfs/dbraw/zinc/11/48/38/492114838.db2.gz VXHWWWQNELPDSA-ZJUUUORDSA-N -1 1 369.447 0.545 10 0 FCAEMM Nc1nn2c(nc(CSc3nc(C(F)(F)F)cc(=O)[n-]3)cc2=O)[nH]1 ZINC000599121982 492137240 /nfs/dbraw/zinc/13/72/40/492137240.db2.gz AFQGSXFXNAVPAD-UHFFFAOYSA-N -1 1 359.293 0.637 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000616910859 492147979 /nfs/dbraw/zinc/14/79/79/492147979.db2.gz VQBQLTXRIHXJHS-CYBMUJFWSA-N -1 1 367.402 0.584 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1F ZINC000599392796 492167423 /nfs/dbraw/zinc/16/74/23/492167423.db2.gz XQENAFHLLRZWAK-WDEREUQCSA-N -1 1 365.354 0.570 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000608367112 492174236 /nfs/dbraw/zinc/17/42/36/492174236.db2.gz UPEXYDQGTGFWLU-LBPRGKRZSA-N -1 1 351.378 0.651 10 0 FCAEMM C[C@H]1C[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H](C)C1 ZINC000617666712 492179371 /nfs/dbraw/zinc/17/93/71/492179371.db2.gz PYPDORCJWZMXBB-GDNZZTSVSA-N -1 1 371.459 0.845 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000618509126 492230580 /nfs/dbraw/zinc/23/05/80/492230580.db2.gz NMIRICARFDLTQC-VWYCJHECSA-N -1 1 355.416 0.209 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676147 492234574 /nfs/dbraw/zinc/23/45/74/492234574.db2.gz NKPGKZXBKNDPJO-SNVBAGLBSA-N -1 1 370.475 0.894 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000619986613 492285473 /nfs/dbraw/zinc/28/54/73/492285473.db2.gz XPTHYJRLEMCFDH-CYBMUJFWSA-N -1 1 374.445 0.809 10 0 FCAEMM CN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000647586873 492326419 /nfs/dbraw/zinc/32/64/19/492326419.db2.gz PEYBZLLIYMIMRA-JJXSEGSLSA-N -1 1 359.426 0.918 10 0 FCAEMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000643450987 492466211 /nfs/dbraw/zinc/46/62/11/492466211.db2.gz MPZBTZKSUNVGLI-VXGBXAGGSA-N -1 1 357.370 0.775 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)nc2n1 ZINC000622870019 492491683 /nfs/dbraw/zinc/49/16/83/492491683.db2.gz OYUWGMJVWKFZSI-ZIAGYGMSSA-N -1 1 355.354 0.821 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(F)ccc3N3CCOCC3)nc2n1 ZINC000622871000 492492242 /nfs/dbraw/zinc/49/22/42/492492242.db2.gz OATRYMBOSWWHNV-UHFFFAOYSA-N -1 1 372.360 0.954 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2c(C(F)(F)F)cnn2C)co1 ZINC000628355821 492494636 /nfs/dbraw/zinc/49/46/36/492494636.db2.gz MPCIVDDTJRUDDE-UHFFFAOYSA-N -1 1 366.321 0.870 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)CCc3cccc(C(=O)NC)c3)nc2n1 ZINC000622994627 492497951 /nfs/dbraw/zinc/49/79/51/492497951.db2.gz WIJPYAGVTQQHRL-UHFFFAOYSA-N -1 1 368.397 0.911 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc4c(n3)OCCO4)nc2n1 ZINC000622997574 492498440 /nfs/dbraw/zinc/49/84/40/492498440.db2.gz CNPDRDJTNWEKCD-UHFFFAOYSA-N -1 1 356.342 0.211 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)nc2n1 ZINC000643909239 492600601 /nfs/dbraw/zinc/60/06/01/492600601.db2.gz NKBAJPKSMPCUJR-SSDOTTSWSA-N -1 1 358.280 0.075 10 0 FCAEMM CO[C@H](CS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(F)cc1 ZINC000629292269 492602586 /nfs/dbraw/zinc/60/25/86/492602586.db2.gz FKPXIKGSJLQBNJ-ZIAGYGMSSA-N -1 1 371.390 0.852 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)CCOCC1 ZINC000650180287 492620335 /nfs/dbraw/zinc/62/03/35/492620335.db2.gz NXRLUKCYLOBLLH-UHFFFAOYSA-N -1 1 354.428 0.910 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)[C@@H]1CCOC1 ZINC000656734480 492648530 /nfs/dbraw/zinc/64/85/30/492648530.db2.gz FUUKRLZINOFSHX-SCZZXKLOSA-N -1 1 368.253 0.976 10 0 FCAEMM COc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)c1 ZINC000629629598 492660465 /nfs/dbraw/zinc/66/04/65/492660465.db2.gz QHTXUDLUCIJYTB-ZYHUDNBSSA-N -1 1 363.461 0.550 10 0 FCAEMM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656899773 492663432 /nfs/dbraw/zinc/66/34/32/492663432.db2.gz VGMFTMFUJDDSGL-JTQLQIEISA-N -1 1 363.281 0.368 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)NCCF ZINC000656979848 492685931 /nfs/dbraw/zinc/68/59/31/492685931.db2.gz BWIZSTMQGIMSCX-SSDOTTSWSA-N -1 1 354.201 0.597 10 0 FCAEMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656992275 492688926 /nfs/dbraw/zinc/68/89/26/492688926.db2.gz QSFIPJBVHCDJMX-UHFFFAOYSA-N -1 1 372.266 0.014 10 0 FCAEMM CN1CC[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000657018251 492695480 /nfs/dbraw/zinc/69/54/80/492695480.db2.gz OWFOAMQGBMGASD-SECBINFHSA-N -1 1 362.249 0.991 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@H]1CCOC1 ZINC000657046024 492703362 /nfs/dbraw/zinc/70/33/62/492703362.db2.gz XTAPUDXNJGIEOF-IUCAKERBSA-N -1 1 357.354 0.769 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccnc(N2CCOCC2)n1 ZINC000629952415 492707884 /nfs/dbraw/zinc/70/78/84/492707884.db2.gz VFQNNFBGYIQEMV-AWEZNQCLSA-N -1 1 366.385 0.346 10 0 FCAEMM COc1ccc(NC(=O)NC2COCCOC2)cc1[N-]S(C)(=O)=O ZINC000644470468 492766334 /nfs/dbraw/zinc/76/63/34/492766334.db2.gz ITIANDYCYXYTEP-UHFFFAOYSA-N -1 1 359.404 0.604 10 0 FCAEMM CN1CCO[C@H](CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)C1 ZINC000632014028 492910207 /nfs/dbraw/zinc/91/02/07/492910207.db2.gz ZQGFNOLRASIPSE-GXFFZTMASA-N -1 1 350.387 0.248 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O)C1CCOCC1 ZINC000645646310 492953133 /nfs/dbraw/zinc/95/31/33/492953133.db2.gz UXFYIJZRIUGVAS-HOTGVXAUSA-N -1 1 368.455 0.763 10 0 FCAEMM COCC(COC)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632414074 492993457 /nfs/dbraw/zinc/99/34/57/492993457.db2.gz QVJHTDXGUHUTAQ-UHFFFAOYSA-N -1 1 359.267 0.986 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)c(C(F)(F)F)n1 ZINC000632494995 493012165 /nfs/dbraw/zinc/01/21/65/493012165.db2.gz BMDJPSGWYXTXCM-ZETCQYMHSA-N -1 1 361.367 0.293 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccnn2C)o1 ZINC000652984429 493053344 /nfs/dbraw/zinc/05/33/44/493053344.db2.gz RMVGUICBYGJNEK-LLVKDONJSA-N -1 1 354.388 0.135 10 0 FCAEMM CN1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@H]1c1ccccc1 ZINC000659658331 493235028 /nfs/dbraw/zinc/23/50/28/493235028.db2.gz MZDSKGVFKCHRDO-LSDHHAIUSA-N -1 1 359.426 0.919 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(COC3)C2)c(F)c1 ZINC000660067166 493321346 /nfs/dbraw/zinc/32/13/46/493321346.db2.gz ZDRVNJIJUDNTAE-UHFFFAOYSA-N -1 1 364.420 0.608 10 0 FCAEMM O=C(NCc1c[nH]nn1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000673951216 493377007 /nfs/dbraw/zinc/37/70/07/493377007.db2.gz XCUGZSIGHZQFAK-UHFFFAOYSA-N -1 1 351.388 0.225 10 0 FCAEMM CS(=O)(=O)C[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)c1ccccc1 ZINC000668870027 493425593 /nfs/dbraw/zinc/42/55/93/493425593.db2.gz ACTTUBLERFPZDW-CYBMUJFWSA-N -1 1 363.443 0.914 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)sc1C ZINC000676416759 493550380 /nfs/dbraw/zinc/55/03/80/493550380.db2.gz SDRMZRJMVWRGFG-PELKAZGASA-N -1 1 369.472 0.966 10 0 FCAEMM O=C(NC[C@@H]1CN2CCN1CCC2)c1nn(-c2ccccc2F)cc1[O-] ZINC000670447115 493568720 /nfs/dbraw/zinc/56/87/20/493568720.db2.gz JVIVIHMRDYKRGI-CYBMUJFWSA-N -1 1 359.405 0.837 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)c3c[n-]n4c3nccc4=O)cn2)CC1 ZINC000670453736 493569319 /nfs/dbraw/zinc/56/93/19/493569319.db2.gz FHKQKXMHWJFATB-UHFFFAOYSA-N -1 1 367.413 0.099 10 0 FCAEMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c[n-]n3c2nccc3=O)c1 ZINC000670451486 493569380 /nfs/dbraw/zinc/56/93/80/493569380.db2.gz SNMMULXKXGFZMW-UHFFFAOYSA-N -1 1 362.367 0.774 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cn1C ZINC000677233927 493593031 /nfs/dbraw/zinc/59/30/31/493593031.db2.gz PWLJLHNKWDAOCV-UHFFFAOYSA-N -1 1 360.399 0.971 10 0 FCAEMM COC[C@@](C)(CO)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000681076023 493743567 /nfs/dbraw/zinc/74/35/67/493743567.db2.gz QOSSZGZBHUIKBC-GOSISDBHSA-N -1 1 360.414 0.999 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N2CCN(C3CC3)C[C@@H](C)C2)s[n-]1 ZINC000411576793 528684846 /nfs/dbraw/zinc/68/48/46/528684846.db2.gz YLJZSNKIYJVMKU-LLVKDONJSA-N -1 1 351.476 0.794 10 0 FCAEMM Cn1nccc1[C@H]([N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000592106095 546608437 /nfs/dbraw/zinc/60/84/37/546608437.db2.gz PAKXGGZFLWMUDY-AAEUAGOBSA-N -1 1 359.448 0.759 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c(F)c1 ZINC000593595985 546716347 /nfs/dbraw/zinc/71/63/47/546716347.db2.gz MUXYEONOTTXRJP-JTQLQIEISA-N -1 1 351.327 0.792 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)o1 ZINC000593868667 546762889 /nfs/dbraw/zinc/76/28/89/546762889.db2.gz LSUOFRSBPDKADL-IMXIGIQMSA-N -1 1 360.457 0.702 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000901177705 665975555 /nfs/dbraw/zinc/97/55/55/665975555.db2.gz YNTLDBUUNBDELF-SECBINFHSA-N -1 1 353.375 0.843 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccco1 ZINC000065973498 663971544 /nfs/dbraw/zinc/97/15/44/663971544.db2.gz RBPRNKKCCJHHSP-VIFPVBQESA-N -1 1 360.823 0.958 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000866965364 665251993 /nfs/dbraw/zinc/25/19/93/665251993.db2.gz HYDSVRNVANFGOG-GTJPDFRWSA-N -1 1 351.494 0.730 10 0 FCAEMM CC(N[C@H](C)c1ccc(-n2cncn2)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054501531 665301648 /nfs/dbraw/zinc/30/16/48/665301648.db2.gz WJCDXARUEGZGAG-SECBINFHSA-N -1 1 356.411 0.723 10 0 FCAEMM Cn1nc2c(c1C(=O)N1CCSC[C@@H]1c1nn[n-]n1)CSCC2 ZINC000907478812 666132513 /nfs/dbraw/zinc/13/25/13/666132513.db2.gz WHWWWYJOFDXBOW-SNVBAGLBSA-N -1 1 351.461 0.653 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000908734615 666216572 /nfs/dbraw/zinc/21/65/72/666216572.db2.gz VOACICFFKMSFLO-JYJNAYRXSA-N -1 1 352.479 0.766 10 0 FCAEMM CO[C@@H]1CN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)[C@@](C)(C(=O)[O-])C1 ZINC000908772970 666216944 /nfs/dbraw/zinc/21/69/44/666216944.db2.gz ZNYOQAPTXHBPRY-QDEZUTFSSA-N -1 1 357.451 0.759 10 0 FCAEMM CO[C@@H]1CN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)[C@@](C)(C(=O)[O-])C1 ZINC000908761850 666217578 /nfs/dbraw/zinc/21/75/78/666217578.db2.gz YNQJHUQSKPAPBI-JJRVBVJISA-N -1 1 357.451 0.617 10 0 FCAEMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000921378472 666442031 /nfs/dbraw/zinc/44/20/31/666442031.db2.gz YPPWHAIDFUCPNS-LLVKDONJSA-N -1 1 367.489 0.934 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000921378051 666442043 /nfs/dbraw/zinc/44/20/43/666442043.db2.gz MQPVRMQWAYSDEK-JTQLQIEISA-N -1 1 353.462 0.544 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CNS(C)(=O)=O)c(F)c1 ZINC000921488543 666453874 /nfs/dbraw/zinc/45/38/74/666453874.db2.gz ZESTUQXIMPRNGW-UHFFFAOYSA-N -1 1 356.416 0.879 10 0 FCAEMM O=C(NC12CCN(CC1)C2)c1cnc(I)c([O-])c1 ZINC000913635445 666637965 /nfs/dbraw/zinc/63/79/65/666637965.db2.gz FKNGFBFVKNFXIJ-UHFFFAOYSA-N -1 1 359.167 0.970 10 0 FCAEMM CC[C@H](O)CN1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000183719205 666695759 /nfs/dbraw/zinc/69/57/59/666695759.db2.gz GWYDAICULCSEGQ-RYUDHWBXSA-N -1 1 353.385 0.605 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)CCN1c1cccc(Cl)c1 ZINC000914229162 666727251 /nfs/dbraw/zinc/72/72/51/666727251.db2.gz RLPVDNFCKOTBSG-YNEHKIRRSA-N -1 1 360.819 0.124 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1Br)C(N)=O ZINC000914302343 666737228 /nfs/dbraw/zinc/73/72/28/666737228.db2.gz FEDMDJQOBBMTCW-VIFPVBQESA-N -1 1 369.212 0.508 10 0 FCAEMM Cn1ncc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)c1I ZINC000720648173 674782493 /nfs/dbraw/zinc/78/24/93/674782493.db2.gz JPCBZRFRBWUGNN-SSDOTTSWSA-N -1 1 373.158 0.515 10 0 FCAEMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nc2c(s1)CCCC2 ZINC000921591871 667139558 /nfs/dbraw/zinc/13/95/58/667139558.db2.gz HPDKYOOWJKKFFV-FQEVSTJZSA-N -1 1 352.507 0.931 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1c(Cl)ccnc1Cl ZINC000918979755 667145612 /nfs/dbraw/zinc/14/56/12/667145612.db2.gz JFGAUXVDGUSOJB-SECBINFHSA-N -1 1 370.258 0.360 10 0 FCAEMM CN1C[C@H](CC[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000921049469 667266177 /nfs/dbraw/zinc/26/61/77/667266177.db2.gz RJUHRJBVTSFPGF-SECBINFHSA-N -1 1 362.249 0.991 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000921861073 667522593 /nfs/dbraw/zinc/52/25/93/667522593.db2.gz IGWKNIYZFTWKKC-KCJUWKMLSA-N -1 1 371.337 0.302 10 0 FCAEMM CS(=O)(=O)Nc1cccc(CC(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC000737169193 667754889 /nfs/dbraw/zinc/75/48/89/667754889.db2.gz POVWEEKKPDQGSS-UHFFFAOYSA-N -1 1 350.404 0.309 10 0 FCAEMM Cn1[n-]c(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)nc1=O ZINC000758386254 667757007 /nfs/dbraw/zinc/75/70/07/667757007.db2.gz VSHMKGQKCBFPGV-UHFFFAOYSA-N -1 1 373.188 0.216 10 0 FCAEMM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1cc(Br)cnc1Cl ZINC000707055165 667791047 /nfs/dbraw/zinc/79/10/47/667791047.db2.gz DCJLCKLZHIJIBE-JGVFFNPUSA-N -1 1 371.640 0.926 10 0 FCAEMM C[C@H]1CCN(C(=O)NCCC(=O)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805181714 667807483 /nfs/dbraw/zinc/80/74/83/667807483.db2.gz WBYZPVPASDTHMD-NHCYSSNCSA-N -1 1 366.384 0.952 10 0 FCAEMM Cc1nc(CN2CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC2)n[nH]1 ZINC000760344767 667845312 /nfs/dbraw/zinc/84/53/12/667845312.db2.gz MQVAYVGSWFFKIA-UHFFFAOYSA-N -1 1 362.356 0.214 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1c[nH]cc(Br)c1=O ZINC000761027724 667872982 /nfs/dbraw/zinc/87/29/82/667872982.db2.gz ZLFQHQOQHLOFBO-UHFFFAOYSA-N -1 1 355.148 0.016 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000762971762 667938970 /nfs/dbraw/zinc/93/89/70/667938970.db2.gz FBZRYWVHJHPTTR-GFCCVEGCSA-N -1 1 351.388 0.207 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)o1 ZINC000763648439 667959738 /nfs/dbraw/zinc/95/97/38/667959738.db2.gz FPEFQILEHBERFF-UHFFFAOYSA-N -1 1 352.434 0.083 10 0 FCAEMM C[C@H](CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)NC(=O)OC(C)(C)C ZINC000765318282 668004722 /nfs/dbraw/zinc/00/47/22/668004722.db2.gz JPALAKRPWBERTA-MNOVXSKESA-N -1 1 354.411 0.793 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)nc1=O ZINC000765458307 668007269 /nfs/dbraw/zinc/00/72/69/668007269.db2.gz OMBLGNXPZLTQOV-SECBINFHSA-N -1 1 352.297 0.483 10 0 FCAEMM COC(=O)C[C@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCOC1 ZINC000766557820 668031530 /nfs/dbraw/zinc/03/15/30/668031530.db2.gz DNJOMAGNNZLDTM-GFCCVEGCSA-N -1 1 351.812 0.382 10 0 FCAEMM CC(C)(C)OC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)CC1CC1 ZINC000743326530 668046913 /nfs/dbraw/zinc/04/69/13/668046913.db2.gz ZFTMINLPAUWSQE-UHFFFAOYSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)CC1CC1 ZINC000743326530 668046916 /nfs/dbraw/zinc/04/69/16/668046916.db2.gz ZFTMINLPAUWSQE-UHFFFAOYSA-N -1 1 373.435 0.794 10 0 FCAEMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCCOC1 ZINC000770299023 668186484 /nfs/dbraw/zinc/18/64/84/668186484.db2.gz MVBBJYIRGQQBQA-ZDUSSCGKSA-N -1 1 365.839 0.773 10 0 FCAEMM O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)NN1CC(=O)[N-]C1=O ZINC000770546728 668202153 /nfs/dbraw/zinc/20/21/53/668202153.db2.gz UZWBSJRVCAJMOC-HSZRJFAPSA-N -1 1 350.278 0.902 10 0 FCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(C)C ZINC000771982067 668285022 /nfs/dbraw/zinc/28/50/22/668285022.db2.gz TZHQMBLRFRZDIH-LBPRGKRZSA-N -1 1 364.370 0.800 10 0 FCAEMM NC(=O)CONC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000772925063 668336071 /nfs/dbraw/zinc/33/60/71/668336071.db2.gz HTLQKFZBFKYHTF-UHFFFAOYSA-N -1 1 351.237 0.650 10 0 FCAEMM CC(=O)N1CC[C@](C)(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782648733 668573820 /nfs/dbraw/zinc/57/38/20/668573820.db2.gz HVTQSFXNYNSSGT-ZDUSSCGKSA-N -1 1 354.325 0.483 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(=O)[nH]c1=O ZINC000795301983 669024901 /nfs/dbraw/zinc/02/49/01/669024901.db2.gz RDNWFMXONICREP-PJXYFTJBSA-N -1 1 357.432 0.452 10 0 FCAEMM CNC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795805721 669063330 /nfs/dbraw/zinc/06/33/30/669063330.db2.gz LUYZNDBVPRAFMN-UHFFFAOYSA-N -1 1 352.771 0.680 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(N)=O)CCC2)c(F)cc1Cl ZINC000795892243 669069286 /nfs/dbraw/zinc/06/92/86/669069286.db2.gz BGIKPAOMEKXMAQ-UHFFFAOYSA-N -1 1 364.782 0.952 10 0 FCAEMM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000820723959 669118495 /nfs/dbraw/zinc/11/84/95/669118495.db2.gz NLCSRCCONPHMKM-NSHDSACASA-N -1 1 372.834 0.840 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798462179 669239128 /nfs/dbraw/zinc/23/91/28/669239128.db2.gz CIFYSVCHWDIHPA-GXSJLCMTSA-N -1 1 358.382 0.884 10 0 FCAEMM COCC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707933 669509799 /nfs/dbraw/zinc/50/97/99/669509799.db2.gz ICQVXGJKYOYEPG-KWBADKCTSA-N -1 1 367.368 0.395 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802288 669517274 /nfs/dbraw/zinc/51/72/74/669517274.db2.gz RLBITOFTETZRCF-BJDJZHNGSA-N -1 1 351.369 0.621 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccnn1C ZINC000828133385 669619474 /nfs/dbraw/zinc/61/94/74/669619474.db2.gz YSRWVNWRJDLVSC-GFCCVEGCSA-N -1 1 358.807 0.970 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000811138729 669733580 /nfs/dbraw/zinc/73/35/80/669733580.db2.gz SCRLEXHXYLFBMJ-UHFFFAOYSA-N -1 1 366.399 0.731 10 0 FCAEMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000831778552 669867134 /nfs/dbraw/zinc/86/71/34/669867134.db2.gz RYLZWLSBIGASTG-LLVKDONJSA-N -1 1 370.269 0.557 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@]4(CCSC4)C3)ccnc1-2 ZINC000832612523 669913762 /nfs/dbraw/zinc/91/37/62/669913762.db2.gz JTTVVTOYEKCQKH-MRXNPFEDSA-N -1 1 361.427 0.015 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000833559328 669935162 /nfs/dbraw/zinc/93/51/62/669935162.db2.gz NGEHCRDYAJZOSQ-NEPJUHHUSA-N -1 1 353.385 0.653 10 0 FCAEMM CCO/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000816830437 669981663 /nfs/dbraw/zinc/98/16/63/669981663.db2.gz HDXBKFBWXBLEET-VMPITWQZSA-N -1 1 356.400 0.902 10 0 FCAEMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867119159 669991812 /nfs/dbraw/zinc/99/18/12/669991812.db2.gz APLOHTRIWDKKGV-MRVPVSSYSA-N -1 1 370.353 0.948 10 0 FCAEMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1COC(=O)N1)C(F)(F)F ZINC000817677922 670026719 /nfs/dbraw/zinc/02/67/19/670026719.db2.gz ORMFDZAXSJJSSM-VHSXEESVSA-N -1 1 357.288 0.731 10 0 FCAEMM Cc1ccc(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)c(=O)n1C ZINC000867200031 670069439 /nfs/dbraw/zinc/06/94/39/670069439.db2.gz DLNKQXQPTYTOPY-UHFFFAOYSA-N -1 1 364.349 0.925 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)c1C(F)(F)F ZINC000867220084 670087389 /nfs/dbraw/zinc/08/73/89/670087389.db2.gz FXRUGZXVFINBMO-DTWKUNHWSA-N -1 1 357.354 0.362 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2nc(C3CC3)nn2C)CCC1 ZINC000843013610 670766064 /nfs/dbraw/zinc/76/60/64/670766064.db2.gz HQLRDXDTQLOPEQ-UHFFFAOYSA-N -1 1 355.464 0.165 10 0 FCAEMM C[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)n1nnnc1C(C)(C)C ZINC000843014880 670766766 /nfs/dbraw/zinc/76/67/66/670766766.db2.gz HPAWSBGIWZSETO-LLVKDONJSA-N -1 1 372.495 0.462 10 0 FCAEMM CCCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017855 670768116 /nfs/dbraw/zinc/76/81/16/670768116.db2.gz CMEMZZSANISYLX-CYBMUJFWSA-N -1 1 359.492 0.708 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3cccn3)n2)CCC1 ZINC000843018354 670768646 /nfs/dbraw/zinc/76/86/46/670768646.db2.gz NRERMLYANTVHMD-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(C)c2C(F)(F)F)CCC1 ZINC000843019556 670769259 /nfs/dbraw/zinc/76/92/59/670769259.db2.gz SCGXUCVYSGBNMQ-UHFFFAOYSA-N -1 1 368.381 0.983 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@@H](C(=O)NN2CC(=O)[N-]C2=O)CC[C@@H]1C1CC1 ZINC000845219588 670980758 /nfs/dbraw/zinc/98/07/58/670980758.db2.gz MGKFGTSWYCWBLU-GHMZBOCLSA-N -1 1 352.391 0.748 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)NCC[C@]2(O)CCOC2)C1)C(F)(F)F ZINC000845455602 671006279 /nfs/dbraw/zinc/00/62/79/671006279.db2.gz SLBVWNHLZODXFK-FZMZJTMJSA-N -1 1 367.368 0.628 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2COCO2)c(F)cc1Cl ZINC000867396500 671038648 /nfs/dbraw/zinc/03/86/48/671038648.db2.gz DFYYCCGOCRGPIG-SSDOTTSWSA-N -1 1 353.755 0.917 10 0 FCAEMM CC(C)(C)OC(=O)CC1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCC1 ZINC000846432995 671108948 /nfs/dbraw/zinc/10/89/48/671108948.db2.gz JQLDBGYALTYDQY-UHFFFAOYSA-N -1 1 351.403 0.697 10 0 FCAEMM CC(C)(C)n1nnc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000847096153 671171529 /nfs/dbraw/zinc/17/15/29/671171529.db2.gz CCANAJAKPCZMRC-UHFFFAOYSA-N -1 1 362.356 0.959 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cnn(C)n2)c1F ZINC000848455092 671276941 /nfs/dbraw/zinc/27/69/41/671276941.db2.gz HHQJHKLLEZLCHV-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCC1 ZINC000849231352 671323496 /nfs/dbraw/zinc/32/34/96/671323496.db2.gz CAFLTFMHVVZIDG-NXEZZACHSA-N -1 1 372.365 0.712 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc[n+]1[O-] ZINC000851699380 671459750 /nfs/dbraw/zinc/45/97/50/671459750.db2.gz BTWOHAUGCUMCQD-WPRPVWTQSA-N -1 1 361.276 0.056 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC000852958202 671533942 /nfs/dbraw/zinc/53/39/42/671533942.db2.gz GGQKVDBYCDNEID-ONGXEEELSA-N -1 1 363.292 0.648 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccncc1 ZINC000852959084 671534242 /nfs/dbraw/zinc/53/42/42/671534242.db2.gz WYIMMYWUHUJOJF-PWSUYJOCSA-N -1 1 359.304 0.747 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)OC ZINC000853209350 671543266 /nfs/dbraw/zinc/54/32/66/671543266.db2.gz JCVJJHKNLONHIJ-SMDDNHRTSA-N -1 1 354.444 0.306 10 0 FCAEMM O=C([N-]Cc1cnc(C(F)(F)F)nc1)C(F)(F)C(=O)N1CCOCC1 ZINC000853814569 671558274 /nfs/dbraw/zinc/55/82/74/671558274.db2.gz AETLVUHAYUFJSL-UHFFFAOYSA-N -1 1 368.262 0.606 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)c(F)c1 ZINC000903176993 675918739 /nfs/dbraw/zinc/91/87/39/675918739.db2.gz XUNYVSOTGVNPRT-UHFFFAOYSA-N -1 1 371.383 0.065 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856418302 671687844 /nfs/dbraw/zinc/68/78/44/671687844.db2.gz WAVRYXMRUAKVQN-SCZZXKLOSA-N -1 1 360.336 0.653 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000857425815 671727684 /nfs/dbraw/zinc/72/76/84/671727684.db2.gz HZZBHOXGGCQMHY-UHFFFAOYSA-N -1 1 363.321 0.700 10 0 FCAEMM C[C@@H]1CCN(C(=O)NC[C@@H]2COCCN2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000858837921 671779198 /nfs/dbraw/zinc/77/91/98/671779198.db2.gz VLVNISLRTORMJG-UTUOFQBUSA-N -1 1 366.384 0.416 10 0 FCAEMM O=S(=O)([N-]CCN1CCOCC1)c1ccc(Br)nc1F ZINC000858876414 671780502 /nfs/dbraw/zinc/78/05/02/671780502.db2.gz YFUFLPBHUQKLCJ-UHFFFAOYSA-N -1 1 368.228 0.594 10 0 FCAEMM COC(=O)N1CC([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859072018 671791616 /nfs/dbraw/zinc/79/16/16/671791616.db2.gz GAEPBHQAUOVQRC-UHFFFAOYSA-N -1 1 368.184 0.712 10 0 FCAEMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859148032 671796511 /nfs/dbraw/zinc/79/65/11/671796511.db2.gz OALFQXAETSENCO-MUWHJKNJSA-N -1 1 366.212 0.786 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c(Br)n1C ZINC000859286691 671810068 /nfs/dbraw/zinc/81/00/68/671810068.db2.gz IXUQDUZQXTZJJP-IUCAKERBSA-N -1 1 368.253 0.309 10 0 FCAEMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000859414280 671824809 /nfs/dbraw/zinc/82/48/09/671824809.db2.gz HTHUNUXIIVPYEU-SSDOTTSWSA-N -1 1 352.210 0.531 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)O1 ZINC000860589023 671899332 /nfs/dbraw/zinc/89/93/32/671899332.db2.gz BUWDJVSQSQEVOD-NEPJUHHUSA-N -1 1 360.363 0.856 10 0 FCAEMM O=C(c1ccc(I)cc1[O-])N1C[C@H](O)C[C@H](O)C1 ZINC000866289771 672267122 /nfs/dbraw/zinc/26/71/22/672267122.db2.gz KPJNOONTAZPXEF-DTORHVGOSA-N -1 1 363.151 0.565 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)c1C(F)(F)F ZINC000866404846 672270929 /nfs/dbraw/zinc/27/09/29/672270929.db2.gz WVNMHFYZDQSUSV-SECBINFHSA-N -1 1 361.367 0.294 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)c1C(F)(F)F ZINC000866502355 672278576 /nfs/dbraw/zinc/27/85/76/672278576.db2.gz DMRHDZNOMKZLFW-UHFFFAOYSA-N -1 1 354.354 0.776 10 0 FCAEMM CNC(=O)C1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCCC1 ZINC000866699147 672289025 /nfs/dbraw/zinc/28/90/25/672289025.db2.gz AINHJAZDWLCZPI-UHFFFAOYSA-N -1 1 354.354 0.776 10 0 FCAEMM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000866700816 672289214 /nfs/dbraw/zinc/28/92/14/672289214.db2.gz ITWSOTPADYCAEA-MRVPVSSYSA-N -1 1 354.354 0.727 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(Br)n1 ZINC000866829337 672315098 /nfs/dbraw/zinc/31/50/98/672315098.db2.gz GURNSCAMISHMMT-RXMQYKEDSA-N -1 1 352.132 0.384 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](CO)Cc1ccc(F)cc1 ZINC000866833593 672315772 /nfs/dbraw/zinc/31/57/72/672315772.db2.gz OVMKTCCYGSKSSN-GTJPDFRWSA-N -1 1 352.453 0.929 10 0 FCAEMM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866834744 672316200 /nfs/dbraw/zinc/31/62/00/672316200.db2.gz YMOTZYROVSIZKJ-SECBINFHSA-N -1 1 359.370 0.751 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC000867451403 672317793 /nfs/dbraw/zinc/31/77/93/672317793.db2.gz FUKDIICEBFLPDW-ZSMADZGOSA-N -1 1 353.510 0.438 10 0 FCAEMM C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867503114 672327399 /nfs/dbraw/zinc/32/73/99/672327399.db2.gz BIGZHDPERRKSSE-ZJUUUORDSA-N -1 1 370.397 0.826 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)c1C(F)(F)F ZINC000867569567 672339165 /nfs/dbraw/zinc/33/91/65/672339165.db2.gz OJUDRCRBQVIYEC-SECBINFHSA-N -1 1 366.365 0.871 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1c(Br)cnn1C ZINC000867602824 672346108 /nfs/dbraw/zinc/34/61/08/672346108.db2.gz IWKKXEKGJKXXII-KRWDZBQOSA-N -1 1 359.271 0.635 10 0 FCAEMM Cn1cnnc1S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000867704602 672357187 /nfs/dbraw/zinc/35/71/87/672357187.db2.gz PXKKLQZOKBNKKG-UHFFFAOYSA-N -1 1 371.850 0.681 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)COCCN12 ZINC000867750208 672363103 /nfs/dbraw/zinc/36/31/03/672363103.db2.gz UNESTDZMNNXHMJ-ZDUSSCGKSA-N -1 1 364.782 0.979 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3ccc(C(F)F)o3)COCCN12 ZINC000867750199 672363219 /nfs/dbraw/zinc/36/32/19/672363219.db2.gz UKPKHQWBRVFBDV-GFCCVEGCSA-N -1 1 352.315 0.717 10 0 FCAEMM COCC[C@H](COC)NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868627431 672405787 /nfs/dbraw/zinc/40/57/87/672405787.db2.gz UUQZHAKCJINVLX-ZWNOBZJWSA-N -1 1 355.357 0.890 10 0 FCAEMM C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000717384688 673576718 /nfs/dbraw/zinc/57/67/18/673576718.db2.gz JTDHSJOQIJUBND-LDWIPMOCSA-N -1 1 351.140 0.468 10 0 FCAEMM C[C@H](O)[C@@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000717387432 673576918 /nfs/dbraw/zinc/57/69/18/673576918.db2.gz SUNQBRVGWMLETN-WKEGUHRASA-N -1 1 351.140 0.468 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000901177708 675766350 /nfs/dbraw/zinc/76/63/50/675766350.db2.gz YNTLDBUUNBDELF-VIFPVBQESA-N -1 1 353.375 0.843 10 0 FCAEMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCN3CC[NH+]=C3[O-])n2)C1 ZINC000901750374 675811165 /nfs/dbraw/zinc/81/11/65/675811165.db2.gz WXGFGFWMBSUVLO-GFCCVEGCSA-N -1 1 356.452 0.297 10 0 FCAEMM CC[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001746184674 1192331303 /nfs/dbraw/zinc/33/13/03/1192331303.db2.gz DDGUDWKJTRLHPJ-GPHJXTMHSA-N -1 1 364.402 0.711 10 0 FCAEMM COCCCOCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001719608526 1170074187 /nfs/dbraw/zinc/07/41/87/1170074187.db2.gz YDEWLALUPYHWML-KGLIPLIRSA-N -1 1 365.430 0.950 10 0 FCAEMM COc1cccc(-n2cc(NC(=O)CCn3cc[n-]c(=O)c3=O)nn2)c1 ZINC001143452896 1179635122 /nfs/dbraw/zinc/63/51/22/1179635122.db2.gz RMAAFSIZFUYVLS-UHFFFAOYSA-N -1 1 356.342 0.155 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001719736904 1179846403 /nfs/dbraw/zinc/84/64/03/1179846403.db2.gz ACLFLMLJLDZIAW-MRVWCRGKSA-N -1 1 362.430 0.526 10 0 FCAEMM CCCC(=O)NCC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001719739880 1179849388 /nfs/dbraw/zinc/84/93/88/1179849388.db2.gz WYOVKVMGHUBYOJ-ZIAGYGMSSA-N -1 1 364.446 0.328 10 0 FCAEMM Cn1nc(C(=O)N[N-]C(=O)c2c(O)cc(F)cc2F)c2ccccc2c1=O ZINC000066041479 1181432408 /nfs/dbraw/zinc/43/24/08/1181432408.db2.gz NDOUOVKEYHXTQR-UHFFFAOYSA-N -1 1 374.303 0.992 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1 ZINC001719845408 1186312717 /nfs/dbraw/zinc/31/27/17/1186312717.db2.gz DDMKWZGDCHEQJP-RDBSUJKOSA-N -1 1 372.381 0.082 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCF ZINC001719847332 1186354768 /nfs/dbraw/zinc/35/47/68/1186354768.db2.gz LEXWYSTZZYRVGS-UTLUCORTSA-N -1 1 368.365 0.508 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001719886239 1188407339 /nfs/dbraw/zinc/40/73/39/1188407339.db2.gz UYCKPAVZNZQCGP-YBYAELHVSA-N -1 1 362.386 0.724 10 0 FCAEMM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908791716 1195766133 /nfs/dbraw/zinc/76/61/33/1195766133.db2.gz UJFMLTYTTTVGPV-HOTGVXAUSA-N -1 1 361.442 0.599 10 0 FCAEMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)NCCN1CCCOCC1 ZINC000909109921 1195782680 /nfs/dbraw/zinc/78/26/80/1195782680.db2.gz JIJLDSXDPOWHTP-MRXNPFEDSA-N -1 1 363.414 0.939 10 0 FCAEMM CN1CCN(c2cc(C(=O)NCc3ccc(C(=O)[O-])nc3)ccn2)CC1 ZINC000910980862 1195873311 /nfs/dbraw/zinc/87/33/11/1195873311.db2.gz HHMFQIUNDQFZLE-UHFFFAOYSA-N -1 1 355.398 0.857 10 0 FCAEMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000911315086 1195936759 /nfs/dbraw/zinc/93/67/59/1195936759.db2.gz JJPQDELAJBGXNE-ACWOFJMJSA-N -1 1 361.442 0.877 10 0 FCAEMM COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914376212 1197527536 /nfs/dbraw/zinc/52/75/36/1197527536.db2.gz XOJISZLNFINVQD-JQWIXIFHSA-N -1 1 358.382 0.886 10 0 FCAEMM C[C@H](CN(C)C(=O)CCC(=O)N1CCOc2ccccc21)c1nn[n-]n1 ZINC000735994270 1197905884 /nfs/dbraw/zinc/90/58/84/1197905884.db2.gz GZUROUNMDKHFSO-GFCCVEGCSA-N -1 1 358.402 0.967 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCc3nn[n-]n3)C[C@@H](C1)C2=O ZINC000768078335 1200080605 /nfs/dbraw/zinc/08/06/05/1200080605.db2.gz QPEMFBBPUBFUKY-FGWVZKOKSA-N -1 1 364.406 0.278 10 0 FCAEMM Cc1nn(C)c(C)c1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(F)(F)F ZINC000771542256 1200603732 /nfs/dbraw/zinc/60/37/32/1200603732.db2.gz LDQGFPQVSRQAKO-LBPRGKRZSA-N -1 1 373.335 0.697 10 0 FCAEMM Cn1cc(N2CCC[C@H](NC(=O)N=c3ccnc4n(C)[n-]cc3-4)C2)cn1 ZINC000806492017 1202741869 /nfs/dbraw/zinc/74/18/69/1202741869.db2.gz AQRWSNHSACHWBS-LBPRGKRZSA-N -1 1 354.418 0.866 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H]3COc4ccccc4O3)ccnc1-2 ZINC000806829759 1202780157 /nfs/dbraw/zinc/78/01/57/1202780157.db2.gz VOMQJHHUTOJPDE-NSHDSACASA-N -1 1 367.365 0.237 10 0 FCAEMM O=C(Nc1ccc(OC2CCCCC2)cc1)C(=O)NN1CC(=O)[N-]C1=O ZINC000807063609 1202810127 /nfs/dbraw/zinc/81/01/27/1202810127.db2.gz XZUFTSPXWLRUCJ-UHFFFAOYSA-N -1 1 360.370 0.920 10 0 FCAEMM Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O ZINC000807062766 1202810300 /nfs/dbraw/zinc/81/03/00/1202810300.db2.gz JZRQGTQPLMGMTE-UHFFFAOYSA-N -1 1 367.365 0.502 10 0 FCAEMM C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C(=O)OC(C)(C)C ZINC000819682367 1203167632 /nfs/dbraw/zinc/16/76/32/1203167632.db2.gz YPNOGAFTVBSIFF-GXTWGEPZSA-N -1 1 365.430 0.896 10 0 FCAEMM Cc1cc(CN2CCCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)no1 ZINC001136540410 1203224275 /nfs/dbraw/zinc/22/42/75/1203224275.db2.gz NPDQLPMQXDCJOY-UHFFFAOYSA-N -1 1 373.413 0.548 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)c1cn(C)nn1 ZINC000845106940 1204468058 /nfs/dbraw/zinc/46/80/58/1204468058.db2.gz JLVMHBVANOGFAY-UHFFFAOYSA-N -1 1 358.358 0.539 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(O)(c2nccn2C)C1 ZINC001175697345 1206306418 /nfs/dbraw/zinc/30/64/18/1206306418.db2.gz SPAVJCNXVLFZOT-UHFFFAOYSA-N -1 1 356.386 0.058 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001177865775 1206347638 /nfs/dbraw/zinc/34/76/38/1206347638.db2.gz GDABOEQNKIPOQC-AAVRWANBSA-N -1 1 374.445 0.545 10 0 FCAEMM CC[C@H]1C(=O)NCCCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001178642170 1206361820 /nfs/dbraw/zinc/36/18/20/1206361820.db2.gz NMRPROVFAGJAIS-HNNXBMFYSA-N -1 1 369.425 0.810 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CCc3nnn(C)c3C2)[n-]c1=O ZINC001180059261 1206388743 /nfs/dbraw/zinc/38/87/43/1206388743.db2.gz FNDTULQSISXCRH-JQWIXIFHSA-N -1 1 358.402 0.788 10 0 FCAEMM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001188879084 1207484486 /nfs/dbraw/zinc/48/44/86/1207484486.db2.gz FDJKIPKFCXPHPS-CQSZACIVSA-N -1 1 372.303 0.486 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NCCOCCN(C)C(=O)c1ncccc1[O-] ZINC001487585600 1208382399 /nfs/dbraw/zinc/38/23/99/1208382399.db2.gz ORKSTKMMQZYNML-CJNGLKHVSA-N -1 1 365.430 0.807 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001487998145 1208418414 /nfs/dbraw/zinc/41/84/14/1208418414.db2.gz JUSLBQAMJGEETC-JHJVBQTASA-N -1 1 362.430 0.703 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001488360657 1208497133 /nfs/dbraw/zinc/49/71/33/1208497133.db2.gz LFDOFPXMMNEEBG-KGYLQXTDSA-N -1 1 362.430 0.655 10 0 FCAEMM CCOCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OCC ZINC001489928030 1209160345 /nfs/dbraw/zinc/16/03/45/1209160345.db2.gz KWJSINWQKXLNAQ-UKRRQHHQSA-N -1 1 365.430 0.807 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001490020458 1209193431 /nfs/dbraw/zinc/19/34/31/1209193431.db2.gz UPASFFVGJMBBTE-MELADBBJSA-N -1 1 362.430 0.811 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)C(C)(C)F ZINC001490005815 1209209370 /nfs/dbraw/zinc/20/93/70/1209209370.db2.gz FTEFRUSKBKYPOB-NWDGAFQWSA-N -1 1 368.409 0.171 10 0 FCAEMM C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001490233568 1209281489 /nfs/dbraw/zinc/28/14/89/1209281489.db2.gz MRUAOACLPCGOKF-FTLABTOESA-N -1 1 360.414 0.219 10 0 FCAEMM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001490410337 1209345579 /nfs/dbraw/zinc/34/55/79/1209345579.db2.gz JRECAZPATJIRKP-VXGBXAGGSA-N -1 1 370.413 0.688 10 0 FCAEMM C[C@@H]1COC2(CCCC2)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000850682187 1209480824 /nfs/dbraw/zinc/48/08/24/1209480824.db2.gz GRUDSVMZYSATDW-GFCCVEGCSA-N -1 1 357.414 0.840 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2nnn[n-]2)C1 ZINC000859447682 1209822153 /nfs/dbraw/zinc/82/21/53/1209822153.db2.gz WUVZAEARVSLXPO-WBMJQRKESA-N -1 1 360.374 0.954 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2nn[n-]n2)C1 ZINC000859447682 1209822155 /nfs/dbraw/zinc/82/21/55/1209822155.db2.gz WUVZAEARVSLXPO-WBMJQRKESA-N -1 1 360.374 0.954 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000860349400 1209845954 /nfs/dbraw/zinc/84/59/54/1209845954.db2.gz MPGPTVSVQFOWSF-UTUOFQBUSA-N -1 1 366.422 0.588 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cn3c(n2)COCC3)cc1 ZINC000860359613 1209846251 /nfs/dbraw/zinc/84/62/51/1209846251.db2.gz OPPDPUMUFBYAGX-UHFFFAOYSA-N -1 1 359.338 0.535 10 0 FCAEMM CN(CCNC(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001296185834 1211096359 /nfs/dbraw/zinc/09/63/59/1211096359.db2.gz RHYGWNKKONURAR-RYUDHWBXSA-N -1 1 358.402 0.042 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)nc2n1 ZINC001274693821 1211103407 /nfs/dbraw/zinc/10/34/07/1211103407.db2.gz SHPSSCHVHNKQGN-HYXAFXHYSA-N -1 1 366.337 0.709 10 0 FCAEMM CCNC(=O)CN1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927780328 1211581254 /nfs/dbraw/zinc/58/12/54/1211581254.db2.gz ZSPSSJWGEMEOKL-UHFFFAOYSA-N -1 1 370.400 0.676 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000927942512 1211593927 /nfs/dbraw/zinc/59/39/27/1211593927.db2.gz JVGWOPIXADXFQQ-FVQBIDKESA-N -1 1 361.442 0.993 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000927944320 1211593970 /nfs/dbraw/zinc/59/39/70/1211593970.db2.gz YSGHBJKULZZPMH-FVQBIDKESA-N -1 1 361.442 0.850 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000927942513 1211593981 /nfs/dbraw/zinc/59/39/81/1211593981.db2.gz JVGWOPIXADXFQQ-IMJJTQAJSA-N -1 1 361.442 0.993 10 0 FCAEMM COc1cccc2[nH]cc(CCNC(=O)CCn3cc[n-]c(=O)c3=O)c21 ZINC000778493233 1211893594 /nfs/dbraw/zinc/89/35/94/1211893594.db2.gz PBQWIBIUUPXUBU-UHFFFAOYSA-N -1 1 356.382 0.776 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000755513300 1220141064 /nfs/dbraw/zinc/14/10/64/1220141064.db2.gz GNQJXVZDCRBXHK-NSHDSACASA-N -1 1 364.352 0.600 10 0 FCAEMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)[N-]OCc3ccc(F)cc3)cc21 ZINC000755559624 1220142183 /nfs/dbraw/zinc/14/21/83/1220142183.db2.gz TZSQPMBYKNQKPN-UHFFFAOYSA-N -1 1 371.328 0.987 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001491530702 1220152537 /nfs/dbraw/zinc/15/25/37/1220152537.db2.gz QAPZJJUMWRAVIY-YUELXQCFSA-N -1 1 359.430 0.895 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001116862135 1221397211 /nfs/dbraw/zinc/39/72/11/1221397211.db2.gz IEMVEPGBPBVQPF-IBGZPJMESA-N -1 1 367.409 0.421 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCn3cnc4sccc4c3=O)nc2n1 ZINC001117664891 1221604032 /nfs/dbraw/zinc/60/40/32/1221604032.db2.gz OJPYAGGHNJRGDL-UHFFFAOYSA-N -1 1 371.382 0.526 10 0 FCAEMM Cc1ccccc1-n1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nn1 ZINC001118854085 1221836218 /nfs/dbraw/zinc/83/62/18/1221836218.db2.gz CKFIPIFTAYLONJ-LJQANCHMSA-N -1 1 371.441 0.937 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)c3nnc4ccccc4c3O)CC2)CCOC1 ZINC001118972983 1221852102 /nfs/dbraw/zinc/85/21/02/1221852102.db2.gz OGSRZVVYCTXUHU-SFHVURJKSA-N -1 1 372.381 0.337 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC001119644513 1221944050 /nfs/dbraw/zinc/94/40/50/1221944050.db2.gz ZHYQJLYPVOEIIJ-HZPDHXFCSA-N -1 1 368.478 0.288 10 0 FCAEMM CC(C)N1C[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC001119686549 1221950637 /nfs/dbraw/zinc/95/06/37/1221950637.db2.gz KTVNHTRBCYFUSA-SNVBAGLBSA-N -1 1 369.368 0.455 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)CC1 ZINC001123910274 1222365479 /nfs/dbraw/zinc/36/54/79/1222365479.db2.gz LBPXOJRYCHKIJE-CQSZACIVSA-N -1 1 372.477 0.627 10 0 FCAEMM COc1cc(N2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)ncn1 ZINC000828533855 1222408181 /nfs/dbraw/zinc/40/81/81/1222408181.db2.gz OEKKPCAGVXJNJP-UHFFFAOYSA-N -1 1 371.426 0.779 10 0 FCAEMM O=C(N[C@H](CO)C(=O)OCc1ccccc1)c1ccc2n[n-]c(=S)n2c1 ZINC001137989357 1222466151 /nfs/dbraw/zinc/46/61/51/1222466151.db2.gz ACRQAIZOHZUASW-CYBMUJFWSA-N -1 1 372.406 0.852 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)COC1 ZINC001138658846 1222520990 /nfs/dbraw/zinc/52/09/90/1222520990.db2.gz GOBHIHGHKVHFAY-NSHDSACASA-N -1 1 366.422 0.590 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000832228751 1222524847 /nfs/dbraw/zinc/52/48/47/1222524847.db2.gz SHKFJHGUANXKMO-CXAGYDPISA-N -1 1 356.386 0.865 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(-n3cncn3)n2)c1 ZINC001141759565 1222768982 /nfs/dbraw/zinc/76/89/82/1222768982.db2.gz YYIFIUHSXDAHRZ-UHFFFAOYSA-N -1 1 374.382 0.528 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000843256004 1222866052 /nfs/dbraw/zinc/86/60/52/1222866052.db2.gz BHOOZLXQFDXWMK-UHFFFAOYSA-N -1 1 371.397 0.801 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000843256004 1222866054 /nfs/dbraw/zinc/86/60/54/1222866054.db2.gz BHOOZLXQFDXWMK-UHFFFAOYSA-N -1 1 371.397 0.801 10 0 FCAEMM CN(C(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1nn[n-]n1 ZINC001149220095 1222880840 /nfs/dbraw/zinc/88/08/40/1222880840.db2.gz PYJJZOLCCOFXMU-OAHLLOKOSA-N -1 1 365.394 0.709 10 0 FCAEMM C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001515328285 1265505411 /nfs/dbraw/zinc/50/54/11/1265505411.db2.gz VSNRVVDLASIOLD-AGIUHOORSA-N -1 1 362.430 0.656 10 0 FCAEMM CO[C@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H]1CCOC1 ZINC001328437433 1265548389 /nfs/dbraw/zinc/54/83/89/1265548389.db2.gz FMPKVRLFBZLVNA-GOEBONIOSA-N -1 1 372.425 0.851 10 0 FCAEMM O=C(CSCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)N1CCCCC1 ZINC001520594897 1265943948 /nfs/dbraw/zinc/94/39/48/1265943948.db2.gz SPQHILSXCGUETI-ZDUSSCGKSA-N -1 1 366.491 0.727 10 0 FCAEMM CCOCCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001520774848 1265994945 /nfs/dbraw/zinc/99/49/45/1265994945.db2.gz LORDVVOUKLZLOY-MCIONIFRSA-N -1 1 365.430 0.948 10 0 FCAEMM CC(C)[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001520986515 1266057749 /nfs/dbraw/zinc/05/77/49/1266057749.db2.gz MTZUNXVHEOSDCL-NRUUGDAUSA-N -1 1 364.381 0.131 10 0 FCAEMM CC(C)[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001521133682 1266090137 /nfs/dbraw/zinc/09/01/37/1266090137.db2.gz HMJINFDIQSZRFL-UTUOFQBUSA-N -1 1 360.418 0.429 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC2(COC2)C1 ZINC001330971899 1266124838 /nfs/dbraw/zinc/12/48/38/1266124838.db2.gz WZFQLISYWYZWTJ-UHFFFAOYSA-N -1 1 362.430 0.509 10 0 FCAEMM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235547079 1259577881 /nfs/dbraw/zinc/57/78/81/1259577881.db2.gz UQVMKXFQOSEWJH-LLVKDONJSA-N -1 1 363.418 0.454 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1ccco1 ZINC001281911261 1261279890 /nfs/dbraw/zinc/27/98/90/1261279890.db2.gz MITTXPTYIZOFBM-SCRDCRAPSA-N -1 1 359.382 0.876 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1ccco1 ZINC001281911260 1261280192 /nfs/dbraw/zinc/28/01/92/1261280192.db2.gz MITTXPTYIZOFBM-BZPMIXESSA-N -1 1 359.382 0.876 10 0 FCAEMM CC(C)(F)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001282092367 1261337314 /nfs/dbraw/zinc/33/73/14/1261337314.db2.gz BXKNIHAAGDGUTB-VHSXEESVSA-N -1 1 364.381 0.180 10 0 FCAEMM CC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCn3cc[n-]c(=O)c3=O)C2)CC1 ZINC001282138170 1261352953 /nfs/dbraw/zinc/35/29/53/1261352953.db2.gz XRRRZMSQBDAJGF-QWHCGFSZSA-N -1 1 362.430 0.128 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCn1ccnn1 ZINC001282337680 1261416208 /nfs/dbraw/zinc/41/62/08/1261416208.db2.gz PGNAOEZZTQYFNB-OLZOCXBDSA-N -1 1 358.402 0.578 10 0 FCAEMM CC[C@@H](O)Cn1cc(C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)nn1 ZINC001472021696 1261426591 /nfs/dbraw/zinc/42/65/91/1261426591.db2.gz HNHHOQRPVFXLNM-SECBINFHSA-N -1 1 350.379 0.218 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001472045552 1261428937 /nfs/dbraw/zinc/42/89/37/1261428937.db2.gz OHMWMJBHEDTKGL-CABZTGNLSA-N -1 1 366.443 0.676 10 0 FCAEMM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C)C(C)C ZINC001282372460 1261434372 /nfs/dbraw/zinc/43/43/72/1261434372.db2.gz FXEZGSBEWRHAIT-OSAQELSMSA-N -1 1 362.430 0.667 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@H]1COC(=O)C1 ZINC001282472988 1261471045 /nfs/dbraw/zinc/47/10/45/1261471045.db2.gz FBRZUNXFDCMWDS-JHJVBQTASA-N -1 1 361.398 0.565 10 0 FCAEMM COCCCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001282474187 1261471796 /nfs/dbraw/zinc/47/17/96/1261471796.db2.gz CKQUHMXWLJQFCV-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM O=C(CCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001282711954 1261594187 /nfs/dbraw/zinc/59/41/87/1261594187.db2.gz UTJPOEIJIGSTCL-KFWWJZLASA-N -1 1 374.441 0.365 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1CCC1 ZINC001282758891 1261614215 /nfs/dbraw/zinc/61/42/15/1261614215.db2.gz CEXCXGJMTILRDA-KFWWJZLASA-N -1 1 374.441 0.365 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001284569675 1261767649 /nfs/dbraw/zinc/76/76/49/1261767649.db2.gz VCDMBFHYHWYJEZ-RWMBFGLXSA-N -1 1 372.429 0.432 10 0 FCAEMM CCN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001284635269 1261774125 /nfs/dbraw/zinc/77/41/25/1261774125.db2.gz HXPLAKKWDVEYJS-PIGZYNQJSA-N -1 1 358.402 0.186 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001289874785 1262361304 /nfs/dbraw/zinc/36/13/04/1262361304.db2.gz UQDXZUZPEKILAA-IJLUTSLNSA-N -1 1 360.418 0.621 10 0 FCAEMM CCCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001290413476 1262438718 /nfs/dbraw/zinc/43/87/18/1262438718.db2.gz OSXZKPOOBRBOPX-QWHCGFSZSA-N -1 1 362.430 0.813 10 0 FCAEMM C[C@@]12CN(C(=O)COCC(F)F)C[C@@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001290815299 1262512570 /nfs/dbraw/zinc/51/25/70/1262512570.db2.gz UJBWRSRMQZWIOT-DIFFPNOSSA-N -1 1 369.368 0.989 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001291599678 1262564461 /nfs/dbraw/zinc/56/44/61/1262564461.db2.gz NCTXBDFMYAAHNQ-UPJWGTAASA-N -1 1 360.414 0.280 10 0 FCAEMM CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001291790789 1262591558 /nfs/dbraw/zinc/59/15/58/1262591558.db2.gz VGBIMXZZUSHTKR-DYEKYZERSA-N -1 1 372.429 0.860 10 0 FCAEMM O=C(c1ccc([C@H]2CCC(=O)N2)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296955576 1262843744 /nfs/dbraw/zinc/84/37/44/1262843744.db2.gz AWXMBJUJTPZUDD-CYBMUJFWSA-N -1 1 356.386 0.275 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)n[n-]1 ZINC001300602047 1262992599 /nfs/dbraw/zinc/99/25/99/1262992599.db2.gz LCMVPBFBSQTTPM-JOYOIKCWSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)[n-]1 ZINC001300602047 1262992604 /nfs/dbraw/zinc/99/26/04/1262992604.db2.gz LCMVPBFBSQTTPM-JOYOIKCWSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 ZINC001300602047 1262992609 /nfs/dbraw/zinc/99/26/09/1262992609.db2.gz LCMVPBFBSQTTPM-JOYOIKCWSA-N -1 1 373.369 0.948 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC001302294062 1263039428 /nfs/dbraw/zinc/03/94/28/1263039428.db2.gz OVECKORJXQRKLI-KRWDZBQOSA-N -1 1 365.393 0.824 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)CCO1 ZINC001479212269 1263179756 /nfs/dbraw/zinc/17/97/56/1263179756.db2.gz HUMIDNIWUFSSHX-LLVKDONJSA-N -1 1 356.810 0.885 10 0 FCAEMM NS(=O)(=O)C[C@@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001479416427 1263191155 /nfs/dbraw/zinc/19/11/55/1263191155.db2.gz DYAXRCSRRVYSSU-SECBINFHSA-N -1 1 363.386 0.533 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1 ZINC001479659456 1263305449 /nfs/dbraw/zinc/30/54/49/1263305449.db2.gz KQYMAEHPHGCCRW-QLFBSQMISA-N -1 1 365.478 0.330 10 0 FCAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001492938991 1263685766 /nfs/dbraw/zinc/68/57/66/1263685766.db2.gz NYUKABWZRREWKI-OLZOCXBDSA-N -1 1 362.430 0.657 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001501498902 1264126077 /nfs/dbraw/zinc/12/60/77/1264126077.db2.gz SKSLEVXELTXMAT-AUSJPIAWSA-N -1 1 369.421 0.972 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc4c3OCC[C@H]4O)ccnc1-2 ZINC001323697730 1264488575 /nfs/dbraw/zinc/48/85/75/1264488575.db2.gz BXQWLZNRLLSGDF-CQSZACIVSA-N -1 1 367.365 0.735 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1OC ZINC001513356791 1265060261 /nfs/dbraw/zinc/06/02/61/1265060261.db2.gz WCQNMJNLCNWRSH-WADSTATCSA-N -1 1 360.414 0.981 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N[C@@H]2CCC(=O)N(C)C2)C1=O ZINC001326938710 1265203796 /nfs/dbraw/zinc/20/37/96/1265203796.db2.gz WAHDLDGLVHTLJQ-OLZOCXBDSA-N -1 1 359.382 0.536 10 0 FCAEMM COCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001514361478 1265341457 /nfs/dbraw/zinc/34/14/57/1265341457.db2.gz HCTQQEUZSWMIDM-MGPQQGTHSA-N -1 1 365.430 0.996 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC2CC2)C1 ZINC001514968187 1265386725 /nfs/dbraw/zinc/38/67/25/1265386725.db2.gz ZKDGVIMUDIYMQN-WDEREUQCSA-N -1 1 364.402 0.711 10 0 FCAEMM O=c1[n-]c(-c2nnc(N3CCN(CC(F)F)CC3)n2CC2CC2)no1 ZINC001527238301 1266880174 /nfs/dbraw/zinc/88/01/74/1266880174.db2.gz MGZMOHRRNZYFEV-UHFFFAOYSA-N -1 1 355.349 0.419 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ncccc1[O-] ZINC001334608269 1267102983 /nfs/dbraw/zinc/10/29/83/1267102983.db2.gz ZCNQAMAUNYVYPB-VXGBXAGGSA-N -1 1 371.397 0.007 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(c4ccccn4)=NO3)nc2n1 ZINC001534154481 1267251450 /nfs/dbraw/zinc/25/14/50/1267251450.db2.gz KYRNGQHDRWXNJP-CYBMUJFWSA-N -1 1 367.369 0.897 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001534274151 1267256382 /nfs/dbraw/zinc/25/63/82/1267256382.db2.gz KIRZTPAUDFXEQV-BFHYXJOUSA-N -1 1 364.446 0.230 10 0 FCAEMM CN1CCN(Cc2ccc(C(=O)N3CCO[C@@](C)(C(=O)[O-])C3)cc2)CC1 ZINC001335004475 1267273867 /nfs/dbraw/zinc/27/38/67/1267273867.db2.gz YTRSPXBULXZRHJ-LJQANCHMSA-N -1 1 361.442 0.750 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(=O)[n-]1 ZINC001535529158 1267299463 /nfs/dbraw/zinc/29/94/63/1267299463.db2.gz FGFJRCXEAKVIIW-PHIMTYICSA-N -1 1 364.427 0.218 10 0 FCAEMM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001538229776 1267397646 /nfs/dbraw/zinc/39/76/46/1267397646.db2.gz IEPIWCCUAZMDPY-UHFFFAOYSA-N -1 1 353.326 0.720 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)ccnc1-2 ZINC001538553972 1267408315 /nfs/dbraw/zinc/40/83/15/1267408315.db2.gz PWTKEEMAMIPRJY-OLZOCXBDSA-N -1 1 361.402 0.963 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001542355021 1267495007 /nfs/dbraw/zinc/49/50/07/1267495007.db2.gz USHZUTANTAZYKY-SNVBAGLBSA-N -1 1 364.402 0.992 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001542355020 1267495151 /nfs/dbraw/zinc/49/51/51/1267495151.db2.gz USHZUTANTAZYKY-JTQLQIEISA-N -1 1 364.402 0.992 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001544416595 1267579587 /nfs/dbraw/zinc/57/95/87/1267579587.db2.gz USWRCEDPPFPWII-UHFFFAOYSA-N -1 1 360.393 0.826 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC001545221650 1267608596 /nfs/dbraw/zinc/60/85/96/1267608596.db2.gz WVVMXGCRDSKNQI-SGTLLEGYSA-N -1 1 359.382 0.963 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001546106721 1267635291 /nfs/dbraw/zinc/63/52/91/1267635291.db2.gz JPBOOHMFOVGALI-MNOVXSKESA-N -1 1 355.416 0.483 10 0 FCAEMM CN(C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)c1ncccc1[O-] ZINC001338660335 1268028537 /nfs/dbraw/zinc/02/85/37/1268028537.db2.gz TVEGREYHQPHTSC-BHPKHCPMSA-N -1 1 363.414 0.246 10 0 FCAEMM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC(O)(c3nn[n-]n3)CC2)o1 ZINC001556348217 1268846340 /nfs/dbraw/zinc/84/63/40/1268846340.db2.gz BMJGALVICJMYTK-UHFFFAOYSA-N -1 1 357.374 0.625 10 0 FCAEMM Nc1c(Br)cccc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348697 1268847427 /nfs/dbraw/zinc/84/74/27/1268847427.db2.gz WOVIJQWEXBDJOM-UHFFFAOYSA-N -1 1 367.207 0.668 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001556567460 1268867369 /nfs/dbraw/zinc/86/73/69/1268867369.db2.gz XJCWHIJLBJCLRP-VHSXEESVSA-N -1 1 361.320 0.536 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC001557439259 1268947445 /nfs/dbraw/zinc/94/74/45/1268947445.db2.gz BYLLFFXINNUJIT-QWRGUYRKSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)[n-]1 ZINC001557439259 1268947450 /nfs/dbraw/zinc/94/74/50/1268947450.db2.gz BYLLFFXINNUJIT-QWRGUYRKSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)n1 ZINC001557439259 1268947453 /nfs/dbraw/zinc/94/74/53/1268947453.db2.gz BYLLFFXINNUJIT-QWRGUYRKSA-N -1 1 359.386 0.977 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC001557539257 1268953445 /nfs/dbraw/zinc/95/34/45/1268953445.db2.gz KYYUCJDOMUOLSA-LJQANCHMSA-N -1 1 362.426 0.859 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnc3ccc(Cl)cn32)o1 ZINC001557596056 1268958808 /nfs/dbraw/zinc/95/88/08/1268958808.db2.gz WTHNNQWNJPBHCS-UHFFFAOYSA-N -1 1 369.790 0.814 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC001558163088 1269037023 /nfs/dbraw/zinc/03/70/23/1269037023.db2.gz CUJICSOWFCIKDX-SNVBAGLBSA-N -1 1 362.356 0.985 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001558163087 1269038378 /nfs/dbraw/zinc/03/83/78/1269038378.db2.gz CUJICSOWFCIKDX-JTQLQIEISA-N -1 1 362.356 0.985 10 0 FCAEMM COCCOc1ccc(C(=O)N[C@H](COC)c2nn[n-]n2)c(Cl)c1 ZINC001558339773 1269069122 /nfs/dbraw/zinc/06/91/22/1269069122.db2.gz MAZROOPLNOFDCQ-GFCCVEGCSA-N -1 1 355.782 0.996 10 0 FCAEMM O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001558347274 1269072231 /nfs/dbraw/zinc/07/22/31/1269072231.db2.gz VLDSBMPNMFHYMD-CYBMUJFWSA-N -1 1 352.402 0.804 10 0 FCAEMM COC(=O)c1ccc(CC(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)cn1 ZINC001558500597 1269101481 /nfs/dbraw/zinc/10/14/81/1269101481.db2.gz WHZUURLXCWOJAF-UHFFFAOYSA-N -1 1 360.370 0.966 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c2ccc([O-])cc2o1 ZINC001559897860 1269179966 /nfs/dbraw/zinc/17/99/66/1269179966.db2.gz ZCFDYMZCLBEZAA-GDBMZVCRSA-N -1 1 365.407 0.887 10 0 FCAEMM O=C(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)NCc1ccccc1 ZINC001565248253 1269458957 /nfs/dbraw/zinc/45/89/57/1269458957.db2.gz PFEGWYJNZJKMEO-UHFFFAOYSA-N -1 1 371.397 0.371 10 0 FCAEMM CCO[C@@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C1CCCC1 ZINC001566097761 1269601035 /nfs/dbraw/zinc/60/10/35/1269601035.db2.gz KHLXPPAYCBBWOJ-IVMMDQJWSA-N -1 1 365.478 0.783 10 0 FCAEMM CCCSCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001342840219 1269637376 /nfs/dbraw/zinc/63/73/76/1269637376.db2.gz KYHOXPXRKNEXFD-DGCLKSJQSA-N -1 1 353.444 0.886 10 0 FCAEMM COCCOc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)nn1 ZINC001569859518 1269812668 /nfs/dbraw/zinc/81/26/68/1269812668.db2.gz BUIJJSKSJBFKBQ-UHFFFAOYSA-N -1 1 365.415 0.958 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1C(=O)N=CNC1=O ZINC001570856998 1269919027 /nfs/dbraw/zinc/91/90/27/1269919027.db2.gz PCMVBFJKONOERQ-CBAPKCEASA-N -1 1 362.308 0.488 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001344089442 1270093790 /nfs/dbraw/zinc/09/37/90/1270093790.db2.gz GMCIWZDQWFWGTK-IBGZPJMESA-N -1 1 367.409 0.834 10 0 FCAEMM Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001573880471 1270918203 /nfs/dbraw/zinc/91/82/03/1270918203.db2.gz HZEUIRWSGGYXGC-DGCLKSJQSA-N -1 1 357.414 0.886 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1cnc[nH]c1=O ZINC001574003245 1270986491 /nfs/dbraw/zinc/98/64/91/1270986491.db2.gz YABDCPBEFATGCU-VXGBXAGGSA-N -1 1 371.397 0.811 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)n[n-]1 ZINC001584176182 1282140637 /nfs/dbraw/zinc/14/06/37/1282140637.db2.gz LJSXLQSVSRJOPQ-BDAKNGLRSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)[n-]1 ZINC001584176182 1282140645 /nfs/dbraw/zinc/14/06/45/1282140645.db2.gz LJSXLQSVSRJOPQ-BDAKNGLRSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)n1 ZINC001584176182 1282140652 /nfs/dbraw/zinc/14/06/52/1282140652.db2.gz LJSXLQSVSRJOPQ-BDAKNGLRSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2[nH]ncc2Br)n[n-]1 ZINC001584176379 1282140792 /nfs/dbraw/zinc/14/07/92/1282140792.db2.gz MJGNQZOOQXHTPB-YFKPBYRVSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2[nH]ncc2Br)n1 ZINC001584176379 1282140798 /nfs/dbraw/zinc/14/07/98/1282140798.db2.gz MJGNQZOOQXHTPB-YFKPBYRVSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)n[n-]1 ZINC001584176186 1282141137 /nfs/dbraw/zinc/14/11/37/1282141137.db2.gz LJSXLQSVSRJOPQ-RKDXNWHRSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)[n-]1 ZINC001584176186 1282141141 /nfs/dbraw/zinc/14/11/41/1282141141.db2.gz LJSXLQSVSRJOPQ-RKDXNWHRSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)n1 ZINC001584176186 1282141143 /nfs/dbraw/zinc/14/11/43/1282141143.db2.gz LJSXLQSVSRJOPQ-RKDXNWHRSA-N -1 1 356.379 0.515 10 0 FCAEMM COCc1n[nH]c(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC001632233348 1282164151 /nfs/dbraw/zinc/16/41/51/1282164151.db2.gz AFXWDOOUJLZEKT-UHFFFAOYSA-N -1 1 352.420 0.726 10 0 FCAEMM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cnncc1[O-] ZINC001632246152 1282166213 /nfs/dbraw/zinc/16/62/13/1282166213.db2.gz AQNWILHLVCWQQT-UHFFFAOYSA-N -1 1 350.356 0.680 10 0 FCAEMM C[C@H](CN(C)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001632362847 1282171313 /nfs/dbraw/zinc/17/13/13/1282171313.db2.gz BEYAVEBKRLTIGO-BDJLRTHQSA-N -1 1 368.438 0.524 10 0 FCAEMM O=C(NC[C@@]1(OCCO)CCOC1)c1c([O-])cnc2c(F)cccc21 ZINC001632513638 1282182716 /nfs/dbraw/zinc/18/27/16/1282182716.db2.gz HGITWYRVSOGCNS-KRWDZBQOSA-N -1 1 350.346 0.977 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)n[n-]1 ZINC001632563563 1282186352 /nfs/dbraw/zinc/18/63/52/1282186352.db2.gz YMPNSTYOBIPSLR-SNVBAGLBSA-N -1 1 363.374 0.281 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)[n-]1 ZINC001632563563 1282186356 /nfs/dbraw/zinc/18/63/56/1282186356.db2.gz YMPNSTYOBIPSLR-SNVBAGLBSA-N -1 1 363.374 0.281 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)n1 ZINC001632563563 1282186357 /nfs/dbraw/zinc/18/63/57/1282186357.db2.gz YMPNSTYOBIPSLR-SNVBAGLBSA-N -1 1 363.374 0.281 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n[n-]1 ZINC001632562988 1282186585 /nfs/dbraw/zinc/18/65/85/1282186585.db2.gz SBQLVOBJSPGJIQ-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)[n-]1 ZINC001632562988 1282186590 /nfs/dbraw/zinc/18/65/90/1282186590.db2.gz SBQLVOBJSPGJIQ-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC001632562988 1282186593 /nfs/dbraw/zinc/18/65/93/1282186593.db2.gz SBQLVOBJSPGJIQ-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM O=C(CCc1c[nH]nn1)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC001632596172 1282189243 /nfs/dbraw/zinc/18/92/43/1282189243.db2.gz WBSCKEJJTITKST-UHFFFAOYSA-N -1 1 351.388 0.522 10 0 FCAEMM CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCc2nn[n-]n2)n1 ZINC001632593903 1282189977 /nfs/dbraw/zinc/18/99/77/1282189977.db2.gz VCYPLFVZDHBTKS-UHFFFAOYSA-N -1 1 350.383 0.241 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001632722821 1282200907 /nfs/dbraw/zinc/20/09/07/1282200907.db2.gz XOMGBPBJJAMNSI-OTYXRUKQSA-N -1 1 373.456 0.245 10 0 FCAEMM O=C(Cc1nnc(C2CCOCC2)[nH]1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001633715700 1282269743 /nfs/dbraw/zinc/26/97/43/1282269743.db2.gz PSBBAUIYVJNNAP-LLVKDONJSA-N -1 1 362.390 0.736 10 0 FCAEMM C[C@@]1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCCS1(=O)=O ZINC001586308537 1282292866 /nfs/dbraw/zinc/29/28/66/1282292866.db2.gz CCOPTJLKSXWSRL-AWEZNQCLSA-N -1 1 351.388 0.685 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)n[n-]1 ZINC001634277459 1282314949 /nfs/dbraw/zinc/31/49/49/1282314949.db2.gz UZJZMSXHKDEFDR-LLVKDONJSA-N -1 1 372.447 0.620 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)[n-]1 ZINC001634277459 1282314959 /nfs/dbraw/zinc/31/49/59/1282314959.db2.gz UZJZMSXHKDEFDR-LLVKDONJSA-N -1 1 372.447 0.620 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)n1 ZINC001634277459 1282314964 /nfs/dbraw/zinc/31/49/64/1282314964.db2.gz UZJZMSXHKDEFDR-LLVKDONJSA-N -1 1 372.447 0.620 10 0 FCAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001635665207 1282423145 /nfs/dbraw/zinc/42/31/45/1282423145.db2.gz APKISUTUMJLJGK-LLVKDONJSA-N -1 1 363.395 0.225 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CC12CC(O)C2 ZINC001635898144 1282440636 /nfs/dbraw/zinc/44/06/36/1282440636.db2.gz DRBRLPRCKSEITD-FHBSJOOWSA-N -1 1 362.430 0.289 10 0 FCAEMM C[C@@H](Sc1nncn1C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636321286 1282485969 /nfs/dbraw/zinc/48/59/69/1282485969.db2.gz BZIMOQNNHRYFIS-MRVPVSSYSA-N -1 1 350.404 0.180 10 0 FCAEMM NS(=O)(=O)[C@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001636449083 1282503799 /nfs/dbraw/zinc/50/37/99/1282503799.db2.gz YEOLLDVOVZLPEC-VIFPVBQESA-N -1 1 353.375 0.973 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(F)ccc1[O-])CCS2(=O)=O ZINC001636696023 1282530599 /nfs/dbraw/zinc/53/05/99/1282530599.db2.gz FTIJIIDSLLCSAP-JRKQCGKRSA-N -1 1 370.402 0.472 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OC)o1 ZINC001637818686 1282627766 /nfs/dbraw/zinc/62/77/66/1282627766.db2.gz NCAGEWQVEOGVIF-UWVGGRQHSA-N -1 1 360.388 0.028 10 0 FCAEMM C/C=C\[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637873952 1282631396 /nfs/dbraw/zinc/63/13/96/1282631396.db2.gz PLXOVYCTNIQZNF-PYLYLYNFSA-N -1 1 356.400 0.289 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@@H](Cn2ccnn2)C1 ZINC001637889866 1282632427 /nfs/dbraw/zinc/63/24/27/1282632427.db2.gz CMVHOIGZILAJMQ-LLVKDONJSA-N -1 1 359.390 0.078 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@]2(CCSC2)C1 ZINC001637890601 1282633103 /nfs/dbraw/zinc/63/31/03/1282633103.db2.gz MEODKLPKKRLUCV-MRXNPFEDSA-N -1 1 366.443 0.672 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909375 1282639065 /nfs/dbraw/zinc/63/90/65/1282639065.db2.gz FJVZJXPAWUNSGP-NSHDSACASA-N -1 1 351.407 0.903 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909375 1282639074 /nfs/dbraw/zinc/63/90/74/1282639074.db2.gz FJVZJXPAWUNSGP-NSHDSACASA-N -1 1 351.407 0.903 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909375 1282639090 /nfs/dbraw/zinc/63/90/90/1282639090.db2.gz FJVZJXPAWUNSGP-NSHDSACASA-N -1 1 351.407 0.903 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc(C(=O)OC)s2)co1 ZINC001638446750 1282697123 /nfs/dbraw/zinc/69/71/23/1282697123.db2.gz YFXXIDASVMYPML-UHFFFAOYSA-N -1 1 359.385 0.361 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC001638933604 1282734939 /nfs/dbraw/zinc/73/49/39/1282734939.db2.gz VCKKVFVZERURSC-NRFANRHFSA-N -1 1 354.494 0.899 10 0 FCAEMM COC(=O)C[C@]1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CCCOC1 ZINC001639040925 1282743354 /nfs/dbraw/zinc/74/33/54/1282743354.db2.gz IOMCNYDKZMQCSA-OAHLLOKOSA-N -1 1 350.400 0.860 10 0 FCAEMM CC(C)(C)C(=O)N1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001639244451 1282762473 /nfs/dbraw/zinc/76/24/73/1282762473.db2.gz SMDXWDXNPUUYRV-UHFFFAOYSA-N -1 1 362.430 0.670 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC3(CC3)C2)o1 ZINC001639352817 1282773889 /nfs/dbraw/zinc/77/38/89/1282773889.db2.gz NNLODUIREPDNGQ-SNVBAGLBSA-N -1 1 355.416 0.496 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC001639379666 1282783061 /nfs/dbraw/zinc/78/30/61/1282783061.db2.gz HPJKZMBPSFSDHB-UHFFFAOYSA-N -1 1 369.381 0.758 10 0 FCAEMM CC(C)(C)OC(=O)C1(CNC(=O)CCCc2nn[n-]n2)CCOCC1 ZINC001639860320 1282821348 /nfs/dbraw/zinc/82/13/48/1282821348.db2.gz WVBUWJVNSWTHGR-UHFFFAOYSA-N -1 1 353.423 0.777 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n[n-]1 ZINC001640225329 1282847661 /nfs/dbraw/zinc/84/76/61/1282847661.db2.gz KPVZZPQMWHVXRD-GHMZBOCLSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)[n-]1 ZINC001640225329 1282847663 /nfs/dbraw/zinc/84/76/63/1282847663.db2.gz KPVZZPQMWHVXRD-GHMZBOCLSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1 ZINC001640225329 1282847669 /nfs/dbraw/zinc/84/76/69/1282847669.db2.gz KPVZZPQMWHVXRD-GHMZBOCLSA-N -1 1 351.407 0.807 10 0 FCAEMM CN(C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)c1nn[n-]n1 ZINC001641462240 1282952848 /nfs/dbraw/zinc/95/28/48/1282952848.db2.gz MASUHWJAOSUZEP-UHFFFAOYSA-N -1 1 355.227 0.622 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(-n3cc[nH]c3=O)cc2)n[n-]1 ZINC001641467816 1282953601 /nfs/dbraw/zinc/95/36/01/1282953601.db2.gz ILOQZDVGDKJRFE-UHFFFAOYSA-N -1 1 356.342 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(-n3cc[nH]c3=O)cc2)n1 ZINC001641467816 1282953616 /nfs/dbraw/zinc/95/36/16/1282953616.db2.gz ILOQZDVGDKJRFE-UHFFFAOYSA-N -1 1 356.342 0.803 10 0 FCAEMM CC(C)=CC(=O)NCc1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1 ZINC001642264126 1282994197 /nfs/dbraw/zinc/99/41/97/1282994197.db2.gz REMGHOODYNKBDK-HNNXBMFYSA-N -1 1 370.413 0.996 10 0 FCAEMM C/C=C(/C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001684366748 1284166131 /nfs/dbraw/zinc/16/61/31/1284166131.db2.gz WEZYMQFRPATQAN-FRZIUMITSA-N -1 1 358.402 0.399 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001684479916 1284186955 /nfs/dbraw/zinc/18/69/55/1284186955.db2.gz YICTZCPUWIOZBC-MOGXBFFPSA-N -1 1 362.430 0.294 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001702693153 1285790249 /nfs/dbraw/zinc/79/02/49/1285790249.db2.gz OPLBBZKPSDDUQA-GIQRUMHBSA-N -1 1 362.430 0.389 10 0 FCAEMM C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)NC(N)=O ZINC001702972096 1286028823 /nfs/dbraw/zinc/02/88/23/1286028823.db2.gz DOOLTKIZCJDOLM-QCNOEVLYSA-N -1 1 361.402 0.096 10 0 FCAEMM COC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1nn[n-]n1 ZINC001595889515 1286267980 /nfs/dbraw/zinc/26/79/80/1286267980.db2.gz QYIXYRCRQIOYII-ZDUSSCGKSA-N -1 1 369.385 0.689 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595940963 1286273006 /nfs/dbraw/zinc/27/30/06/1286273006.db2.gz ICHHNOLCLVJLJJ-GFCCVEGCSA-N -1 1 368.397 0.948 10 0 FCAEMM O=C(NCCCCN1CCOCC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001596159488 1286287666 /nfs/dbraw/zinc/28/76/66/1286287666.db2.gz HFERPPVHIBXGSZ-UHFFFAOYSA-N -1 1 361.402 0.108 10 0 FCAEMM CC(C)c1nnc([N-]C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)s1 ZINC001597176262 1286332660 /nfs/dbraw/zinc/33/26/60/1286332660.db2.gz SGIGBALHSODEMR-UHFFFAOYSA-N -1 1 356.433 0.744 10 0 FCAEMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)O1 ZINC001597713422 1286358006 /nfs/dbraw/zinc/35/80/06/1286358006.db2.gz PJBFUOPXLNTFPE-MGPQQGTHSA-N -1 1 367.450 0.570 10 0 FCAEMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001597925181 1286371181 /nfs/dbraw/zinc/37/11/81/1286371181.db2.gz FZVYQIBKPONPFZ-GFCCVEGCSA-N -1 1 363.414 0.955 10 0 FCAEMM O=C(CCCc1nn[n-]n1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC001598116698 1286379832 /nfs/dbraw/zinc/37/98/32/1286379832.db2.gz PBHBTTRTNWHQSY-CQSZACIVSA-N -1 1 363.443 0.911 10 0 FCAEMM CCOc1cc(C(=O)NC[C@H](O)CS(C)(=O)=O)cc(Cl)c1[O-] ZINC001598516210 1286395654 /nfs/dbraw/zinc/39/56/54/1286395654.db2.gz VAWNBSQITCNPLQ-VIFPVBQESA-N -1 1 351.808 0.580 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC2(COC)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707193866 1286500161 /nfs/dbraw/zinc/50/01/61/1286500161.db2.gz XHMALQOVMIMNDG-QWHCGFSZSA-N -1 1 351.451 0.394 10 0 FCAEMM CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)CCOCC1 ZINC001707265434 1287122964 /nfs/dbraw/zinc/12/29/64/1287122964.db2.gz RIOHIXIQJVOKSV-OLZOCXBDSA-N -1 1 351.451 0.394 10 0 FCAEMM CC(C)OCCN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1C ZINC001707265661 1287124593 /nfs/dbraw/zinc/12/45/93/1287124593.db2.gz TYPFRXVGFNYQAQ-OCCSQVGLSA-N -1 1 362.434 0.075 10 0 FCAEMM Cc1cnc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c([O-])c1 ZINC001602996225 1287176864 /nfs/dbraw/zinc/17/68/64/1287176864.db2.gz MVPHGVOFPVXWLF-NOEPWBJOSA-N -1 1 367.427 0.037 10 0 FCAEMM O=C(NC/C=C/CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1ncccc1[O-] ZINC001721838974 1288385025 /nfs/dbraw/zinc/38/50/25/1288385025.db2.gz WVFNFKTYZGUYKX-KPBNZVRJSA-N -1 1 361.398 0.241 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001726023661 1288486719 /nfs/dbraw/zinc/48/67/19/1288486719.db2.gz FOOVHYRMEZELNU-IVZWLZJFSA-N -1 1 352.391 0.519 10 0 FCAEMM CC(=O)N(C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001736472237 1289376064 /nfs/dbraw/zinc/37/60/64/1289376064.db2.gz JOJCWRVNQMXEPU-ILXRZTDVSA-N -1 1 374.441 0.907 10 0 FCAEMM Cc1noc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])n1 ZINC001736572954 1289449706 /nfs/dbraw/zinc/44/97/06/1289449706.db2.gz WVMUSDKFGFIQOF-UPJWGTAASA-N -1 1 371.397 0.973 10 0 FCAEMM CN(CCCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001737144830 1289512302 /nfs/dbraw/zinc/51/23/02/1289512302.db2.gz VNPSRFYNWTUPOZ-NWDGAFQWSA-N -1 1 358.402 0.042 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001737176062 1289515183 /nfs/dbraw/zinc/51/51/83/1289515183.db2.gz RFPMNSRCPYWBSB-NXEZZACHSA-N -1 1 352.391 0.521 10 0 FCAEMM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cnncc2[O-])CC1 ZINC001611051379 1289626531 /nfs/dbraw/zinc/62/65/31/1289626531.db2.gz FXVATODTBLPOEM-UHFFFAOYSA-N -1 1 350.375 0.056 10 0 FCAEMM C[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001738588890 1289707408 /nfs/dbraw/zinc/70/74/08/1289707408.db2.gz VTMZPIDBKOXSGE-KWBADKCTSA-N -1 1 364.402 0.098 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001738840628 1289739691 /nfs/dbraw/zinc/73/96/91/1289739691.db2.gz HETRMPUQJUKJAV-VHCOLVSPSA-N -1 1 364.402 0.663 10 0 FCAEMM C[C@@](O)(CNC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC001618680475 1289928739 /nfs/dbraw/zinc/92/87/39/1289928739.db2.gz YDKBRMJYDFHRRK-QGZVFWFLSA-N -1 1 365.336 0.819 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001623361607 1290215217 /nfs/dbraw/zinc/21/52/17/1290215217.db2.gz XHEGRAHXFCUAIZ-NSHDSACASA-N -1 1 368.349 0.319 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC001623677305 1290230378 /nfs/dbraw/zinc/23/03/78/1290230378.db2.gz MNHDVMHAYMCYQQ-STQMWFEESA-N -1 1 361.398 0.504 10 0 FCAEMM O=C([C@@H]1Cc2cc(F)ccc2NC1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001625612203 1290356089 /nfs/dbraw/zinc/35/60/89/1290356089.db2.gz ZTXZUTVRTOSDDX-ZYHUDNBSSA-N -1 1 362.390 0.766 10 0 FCAEMM CCO[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])[C@H]1CCOC1 ZINC001625730265 1290362199 /nfs/dbraw/zinc/36/21/99/1290362199.db2.gz OHWRSGMECXKTPD-HZMBPMFUSA-N -1 1 358.416 0.680 10 0 FCAEMM C[C@H](O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001626327515 1290387943 /nfs/dbraw/zinc/38/79/43/1290387943.db2.gz FKFCKYFFUOFTHZ-CMPLNLGQSA-N -1 1 360.432 0.578 10 0 FCAEMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001626578123 1290403801 /nfs/dbraw/zinc/40/38/01/1290403801.db2.gz FBGYQJHWQGVBLB-GHMZBOCLSA-N -1 1 357.432 0.265 10 0 FCAEMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001626578580 1290404355 /nfs/dbraw/zinc/40/43/55/1290404355.db2.gz MKKLBQREOWUEGT-WCQYABFASA-N -1 1 351.403 0.546 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001739854293 1290411658 /nfs/dbraw/zinc/41/16/58/1290411658.db2.gz WDGHBZWDMWQCTF-VHSXEESVSA-N -1 1 352.391 0.567 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC001627067459 1290434928 /nfs/dbraw/zinc/43/49/28/1290434928.db2.gz SSJLRWWJDYAWAV-NEPJUHHUSA-N -1 1 352.395 0.029 10 0 FCAEMM CN(C[C@]1(O)CCc2ccccc21)C(=O)CNC(=O)c1ncccc1[O-] ZINC001627247747 1290447680 /nfs/dbraw/zinc/44/76/80/1290447680.db2.gz NDPKEBBOVBPIMN-LJQANCHMSA-N -1 1 355.394 0.809 10 0 FCAEMM COCc1nc2n(n1)C[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)CC2 ZINC001629939795 1290636124 /nfs/dbraw/zinc/63/61/24/1290636124.db2.gz ZKZPBIATXKJHPL-MRVPVSSYSA-N -1 1 350.404 0.262 10 0 FCAEMM O=C(c1cnncc1[O-])N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC001631368632 1290726891 /nfs/dbraw/zinc/72/68/91/1290726891.db2.gz FDKZDAIIFMRERL-UHFFFAOYSA-N -1 1 360.395 0.399 10 0 FCAEMM O=C(C[C@H]1CCC(=O)NC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631431650 1290729452 /nfs/dbraw/zinc/72/94/52/1290729452.db2.gz GZZQAGKWINQHIY-SNVBAGLBSA-N -1 1 367.427 0.688 10 0 FCAEMM O=C(C[C@@H]1CCC(=O)NC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631431649 1290729964 /nfs/dbraw/zinc/72/99/64/1290729964.db2.gz GZZQAGKWINQHIY-JTQLQIEISA-N -1 1 367.427 0.688 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](C1CC1)C1(CO)CCOCC1 ZINC001631433078 1290730147 /nfs/dbraw/zinc/73/01/47/1290730147.db2.gz JETDIDLPBSNYGL-MRXNPFEDSA-N -1 1 363.414 0.201 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CC[C@@H](c3nn[n-]n3)C1)C2=O ZINC001643386644 1290880905 /nfs/dbraw/zinc/88/09/05/1290880905.db2.gz GUHOINWFJRKXNE-WDEREUQCSA-N -1 1 354.370 0.509 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC[C@@H](c3nn[n-]n3)C1)C2=O ZINC001643386641 1290881136 /nfs/dbraw/zinc/88/11/36/1290881136.db2.gz GUHOINWFJRKXNE-GHMZBOCLSA-N -1 1 354.370 0.509 10 0 FCAEMM Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001643702830 1290910155 /nfs/dbraw/zinc/91/01/55/1290910155.db2.gz DKGYYYJKMUSPBU-CQSZACIVSA-N -1 1 372.389 0.100 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC001643820151 1290917528 /nfs/dbraw/zinc/91/75/28/1290917528.db2.gz FWZMAUJKIOWWDP-UHFFFAOYSA-N -1 1 356.386 0.871 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC001643824219 1290917740 /nfs/dbraw/zinc/91/77/40/1290917740.db2.gz UYUWFVIXYYSETO-UHFFFAOYSA-N -1 1 356.408 0.341 10 0 FCAEMM CN1C(=O)N=NC1CNC(=O)c1ccc(I)cc1[O-] ZINC001643832422 1290918881 /nfs/dbraw/zinc/91/88/81/1290918881.db2.gz JCHHLYVJPLTBDS-UHFFFAOYSA-N -1 1 374.138 0.761 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)o1 ZINC001643877940 1290923110 /nfs/dbraw/zinc/92/31/10/1290923110.db2.gz MILFZQVDIYTTCZ-CYBMUJFWSA-N -1 1 355.416 0.304 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cn(Cc3ccccn3)nn2)[n-]c1=O ZINC001646346101 1291063633 /nfs/dbraw/zinc/06/36/33/1291063633.db2.gz SBZCLEVBMAIVGO-UHFFFAOYSA-N -1 1 369.385 0.891 10 0 FCAEMM COC(=O)c1cc(C2CN(C(=O)c3ccc4n[n-]c(=S)n4c3)C2)[nH]n1 ZINC001647743485 1291070261 /nfs/dbraw/zinc/07/02/61/1291070261.db2.gz WFHOWJQAFKSPDC-UHFFFAOYSA-N -1 1 358.383 0.767 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)[n-]c1=O ZINC001648405398 1291119702 /nfs/dbraw/zinc/11/97/02/1291119702.db2.gz BKOVTXMZNOLVTQ-OLZOCXBDSA-N -1 1 372.385 0.781 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)n[n-]1 ZINC001648716765 1291138149 /nfs/dbraw/zinc/13/81/49/1291138149.db2.gz FLYSKJJOTGHHKF-GHMZBOCLSA-N -1 1 368.390 0.298 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)n1 ZINC001648716765 1291138154 /nfs/dbraw/zinc/13/81/54/1291138154.db2.gz FLYSKJJOTGHHKF-GHMZBOCLSA-N -1 1 368.390 0.298 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(NC(=O)C2CC2)c1 ZINC001650748448 1291178014 /nfs/dbraw/zinc/17/80/14/1291178014.db2.gz KVWZIZYVOSNOIP-UHFFFAOYSA-N -1 1 369.381 0.928 10 0 FCAEMM C[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001650857594 1291181113 /nfs/dbraw/zinc/18/11/13/1291181113.db2.gz DZOGKHSJLOEVTM-QJPTWQEYSA-N -1 1 368.438 0.380 10 0 FCAEMM Nc1cc(Br)cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1N ZINC001650859715 1291181199 /nfs/dbraw/zinc/18/11/99/1291181199.db2.gz YNUPMQIPXOBLLL-ZCFIWIBFSA-N -1 1 352.196 0.756 10 0 FCAEMM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650857919 1291181537 /nfs/dbraw/zinc/18/15/37/1291181537.db2.gz LUELQEQTQVMIBI-SBFPOUOMSA-N -1 1 365.463 0.241 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)n[n-]1 ZINC001650942927 1291187650 /nfs/dbraw/zinc/18/76/50/1291187650.db2.gz AUBOCAADSRFUSN-SNVBAGLBSA-N -1 1 357.370 0.642 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)n1 ZINC001650942927 1291187653 /nfs/dbraw/zinc/18/76/53/1291187653.db2.gz AUBOCAADSRFUSN-SNVBAGLBSA-N -1 1 357.370 0.642 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001651180705 1291203267 /nfs/dbraw/zinc/20/32/67/1291203267.db2.gz KPKUIDYOVRNMAK-UHFFFAOYSA-N -1 1 371.401 0.550 10 0 FCAEMM COC[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC001651846536 1291242470 /nfs/dbraw/zinc/24/24/70/1291242470.db2.gz GCPMITFZJCUZAB-ONGXEEELSA-N -1 1 368.191 0.770 10 0 FCAEMM Cn1nnc(Br)c1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651874153 1291246967 /nfs/dbraw/zinc/24/69/67/1291246967.db2.gz GTINHTHJZUECBC-ZETCQYMHSA-N -1 1 355.200 0.186 10 0 FCAEMM CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1 ZINC001651874719 1291247907 /nfs/dbraw/zinc/24/79/07/1291247907.db2.gz PZCAZIJTJCLIGM-LLVKDONJSA-N -1 1 364.431 0.666 10 0 FCAEMM CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001653050246 1291318554 /nfs/dbraw/zinc/31/85/54/1291318554.db2.gz OHMCEVHFNNTJNG-LLVKDONJSA-N -1 1 367.379 0.600 10 0 FCAEMM Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001653077096 1291320716 /nfs/dbraw/zinc/32/07/16/1291320716.db2.gz YZKHSPFAJDAHJJ-UHFFFAOYSA-N -1 1 362.770 0.835 10 0 FCAEMM CCc1noc([C@@H]2CC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001653186499 1291325992 /nfs/dbraw/zinc/32/59/92/1291325992.db2.gz QIKLTOIMGJHPBB-GHMZBOCLSA-N -1 1 359.386 0.915 10 0 FCAEMM COC(=O)[C@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@@H]1C(=O)OC ZINC001653675634 1291362362 /nfs/dbraw/zinc/36/23/62/1291362362.db2.gz KBLFRLSFNZOXSC-IUCAKERBSA-N -1 1 369.399 0.247 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)n[n-]1 ZINC001654490432 1291413773 /nfs/dbraw/zinc/41/37/73/1291413773.db2.gz RYDQWNJAXLAQFZ-CYBMUJFWSA-N -1 1 373.369 0.799 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)n1 ZINC001654490432 1291413777 /nfs/dbraw/zinc/41/37/77/1291413777.db2.gz RYDQWNJAXLAQFZ-CYBMUJFWSA-N -1 1 373.369 0.799 10 0 FCAEMM CCOCCOCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001684906896 1292361278 /nfs/dbraw/zinc/36/12/78/1292361278.db2.gz YSSKUGKEEPFIHD-UONOGXRCSA-N -1 1 365.430 0.950 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001685964090 1292709208 /nfs/dbraw/zinc/70/92/08/1292709208.db2.gz QNSWCGPBUNPHDK-MQYQWHSLSA-N -1 1 362.430 0.221 10 0 FCAEMM CN(C)C(=O)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001686288987 1292879319 /nfs/dbraw/zinc/87/93/19/1292879319.db2.gz VXYKGSDFFWLDEB-SGTLLEGYSA-N -1 1 360.414 0.376 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(Br)n1C ZINC000404157136 836069720 /nfs/dbraw/zinc/06/97/20/836069720.db2.gz QCQVZEFCOADUBM-NSHDSACASA-N -1 1 368.253 0.311 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000749278077 836353181 /nfs/dbraw/zinc/35/31/81/836353181.db2.gz HBPZTWOGQNCPMS-RKDXNWHRSA-N -1 1 356.325 0.940 10 0 FCAEMM C[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(=O)N(C)C ZINC000804964802 836495969 /nfs/dbraw/zinc/49/59/69/836495969.db2.gz VBQGBAGAUZHQNM-NAKRPEOUSA-N -1 1 366.384 0.950 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001118828122 847596280 /nfs/dbraw/zinc/59/62/80/847596280.db2.gz UQVDDJJBVDKLEM-UHFFFAOYSA-N -1 1 364.427 0.097 10 0 FCAEMM O=C([O-])c1ccn(CCCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC001119653283 847924438 /nfs/dbraw/zinc/92/44/38/847924438.db2.gz BSEPCFDSWDLDFU-AWEZNQCLSA-N -1 1 350.419 0.542 10 0 FCAEMM O=C([O-])CN(C(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C1CCOCC1 ZINC001119715385 847950697 /nfs/dbraw/zinc/95/06/97/847950697.db2.gz UEUUARWUIGBWAK-KGLIPLIRSA-N -1 1 357.476 0.841 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(-c3nnn[n-]3)n1C[C@@H]1CCOC1)C2 ZINC001123122796 848570909 /nfs/dbraw/zinc/57/09/09/848570909.db2.gz MFZRBEPYELIQHH-ZANVPECISA-N -1 1 352.349 0.730 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(-c3nn[n-]n3)n1C[C@@H]1CCOC1)C2 ZINC001123122796 848570915 /nfs/dbraw/zinc/57/09/15/848570915.db2.gz MFZRBEPYELIQHH-ZANVPECISA-N -1 1 352.349 0.730 10 0 FCAEMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001127505307 848722815 /nfs/dbraw/zinc/72/28/15/848722815.db2.gz DDHLXTAPKHESGI-UHFFFAOYSA-N -1 1 351.388 0.943 10 0 FCAEMM CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cnncc2[O-])cc1 ZINC001135891688 849203347 /nfs/dbraw/zinc/20/33/47/849203347.db2.gz ILUJDIVDLPRQGA-UHFFFAOYSA-N -1 1 364.427 0.940 10 0 FCAEMM C[C@@H](NC(=O)c1cnncc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001136333178 849216838 /nfs/dbraw/zinc/21/68/38/849216838.db2.gz QOQFSMAHAOQFKM-SNVBAGLBSA-N -1 1 350.400 0.924 10 0 FCAEMM CC(C)n1ncc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1Br ZINC001136655853 849233109 /nfs/dbraw/zinc/23/31/09/849233109.db2.gz KMVYLYKZXOQEPP-SECBINFHSA-N -1 1 370.211 0.953 10 0 FCAEMM CCC[C@H](NC(=O)Cc1sc(CS(C)(=O)=O)nc1C)c1nn[n-]n1 ZINC001137206156 849259066 /nfs/dbraw/zinc/25/90/66/849259066.db2.gz IFJHDLIYFCKUPL-VIFPVBQESA-N -1 1 372.476 0.709 10 0 FCAEMM COc1ccc(C(=O)NCCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001141888109 849413297 /nfs/dbraw/zinc/41/32/97/849413297.db2.gz HHHMYXLOYINFMN-UHFFFAOYSA-N -1 1 362.411 0.948 10 0 FCAEMM CCS(=O)(=O)Nc1ccc(NC(=O)CCc2nn[n-]n2)cc1OC ZINC001141955144 849416071 /nfs/dbraw/zinc/41/60/71/849416071.db2.gz DKKLMRHNXDKAMM-UHFFFAOYSA-N -1 1 354.392 0.541 10 0 FCAEMM CCN1C(=O)[C@@H]2CN(C(=O)c3cnc(SC)[n-]c3=O)CCN2C1=O ZINC001149234507 849632882 /nfs/dbraw/zinc/63/28/82/849632882.db2.gz VGHKTGJPJTUSOV-VIFPVBQESA-N -1 1 351.388 0.013 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCCc2c[nH][nH]c2=O)c(=O)[n-]1 ZINC001149262073 849634541 /nfs/dbraw/zinc/63/45/41/849634541.db2.gz GYGFOJXBTOFBEK-JTQLQIEISA-N -1 1 351.432 0.773 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c(Br)cnn2C)n[n-]1 ZINC001166126983 850461773 /nfs/dbraw/zinc/46/17/73/850461773.db2.gz NRJFFUACKGPSKH-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c(Br)cnn2C)[n-]1 ZINC001166126983 850461779 /nfs/dbraw/zinc/46/17/79/850461779.db2.gz NRJFFUACKGPSKH-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c(Br)cnn2C)n1 ZINC001166126983 850461786 /nfs/dbraw/zinc/46/17/86/850461786.db2.gz NRJFFUACKGPSKH-LURJTMIESA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CN2CSCCSC2)n[n-]1 ZINC001166128228 850461879 /nfs/dbraw/zinc/46/18/79/850461879.db2.gz YQTSHQFZPMRUCJ-SECBINFHSA-N -1 1 359.477 0.856 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CN2CSCCSC2)[n-]1 ZINC001166128228 850461885 /nfs/dbraw/zinc/46/18/85/850461885.db2.gz YQTSHQFZPMRUCJ-SECBINFHSA-N -1 1 359.477 0.856 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CN2CSCCSC2)n1 ZINC001166128228 850461891 /nfs/dbraw/zinc/46/18/91/850461891.db2.gz YQTSHQFZPMRUCJ-SECBINFHSA-N -1 1 359.477 0.856 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2CCN(C(=O)OC)CC2)n[n-]1 ZINC001166127275 850462161 /nfs/dbraw/zinc/46/21/61/850462161.db2.gz PZCBBLQCZOIDIQ-SECBINFHSA-N -1 1 353.379 0.637 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2CCN(C(=O)OC)CC2)[n-]1 ZINC001166127275 850462164 /nfs/dbraw/zinc/46/21/64/850462164.db2.gz PZCBBLQCZOIDIQ-SECBINFHSA-N -1 1 353.379 0.637 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2CCN(C(=O)OC)CC2)n1 ZINC001166127275 850462168 /nfs/dbraw/zinc/46/21/68/850462168.db2.gz PZCBBLQCZOIDIQ-SECBINFHSA-N -1 1 353.379 0.637 10 0 FCAEMM CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1nn[n-]n1 ZINC001167444498 850544369 /nfs/dbraw/zinc/54/43/69/850544369.db2.gz HNJJQCGKXKZXPH-CSMHCCOUSA-N -1 1 366.369 0.567 10 0 FCAEMM CSc1ncc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(=O)[n-]1 ZINC001175204965 850757027 /nfs/dbraw/zinc/75/70/27/850757027.db2.gz WEKODWBPQSPTKV-VIFPVBQESA-N -1 1 352.416 0.007 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001177992291 850877808 /nfs/dbraw/zinc/87/78/08/850877808.db2.gz CCMWMXOWDCHBOA-UHFFFAOYSA-N -1 1 370.475 0.942 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)o1 ZINC001181233241 851096594 /nfs/dbraw/zinc/09/65/94/851096594.db2.gz VSIVOFXVTMAZEL-VXGBXAGGSA-N -1 1 374.459 0.419 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)n[n-]1 ZINC001255633654 858026465 /nfs/dbraw/zinc/02/64/65/858026465.db2.gz TWPKWBQZJBUTFR-UHFFFAOYSA-N -1 1 351.407 0.492 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCN(C(=O)C(C)C)CC2)n1 ZINC001255633654 858026470 /nfs/dbraw/zinc/02/64/70/858026470.db2.gz TWPKWBQZJBUTFR-UHFFFAOYSA-N -1 1 351.407 0.492 10 0 FCAEMM CSC[C@@H]1CCCN1c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCOC1 ZINC001263573549 859179647 /nfs/dbraw/zinc/17/96/47/859179647.db2.gz MSRTYPJCVKWANR-QWRGUYRKSA-N -1 1 350.452 0.827 10 0 FCAEMM CSC[C@@H]1CCCN1c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001263573549 859179649 /nfs/dbraw/zinc/17/96/49/859179649.db2.gz MSRTYPJCVKWANR-QWRGUYRKSA-N -1 1 350.452 0.827 10 0 FCAEMM COCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001281999437 864032064 /nfs/dbraw/zinc/03/20/64/864032064.db2.gz KTPUMWYRTBFPLB-CHWSQXEVSA-N -1 1 351.403 0.607 10 0 FCAEMM CN1C[C@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1=O ZINC001288923915 864814366 /nfs/dbraw/zinc/81/43/66/864814366.db2.gz LVDDGHAXEUAMIN-LLVKDONJSA-N -1 1 371.459 0.955 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H](C)CSC ZINC001289457766 865075872 /nfs/dbraw/zinc/07/58/72/865075872.db2.gz XUIYNMQTSHTCNN-DMDPSCGWSA-N -1 1 353.444 0.742 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CS(=O)(=O)CC ZINC001290413360 865409962 /nfs/dbraw/zinc/40/99/62/865409962.db2.gz NDASKDPIGANOIJ-NWDGAFQWSA-N -1 1 369.443 0.331 10 0 FCAEMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])S(C)(=O)=O ZINC001292149817 865693439 /nfs/dbraw/zinc/69/34/39/865693439.db2.gz UPPWHBUOBNNAJG-KKOKHZNYSA-N -1 1 367.427 0.082 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](O)COc1ccccc1Br ZINC001294593677 865843622 /nfs/dbraw/zinc/84/36/22/865843622.db2.gz IDZGHPANPGEIPK-VIFPVBQESA-N -1 1 370.207 0.451 10 0 FCAEMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001296864148 865993168 /nfs/dbraw/zinc/99/31/68/865993168.db2.gz BTCCPENISDOREQ-YIZRAAEISA-N -1 1 351.281 0.828 10 0 FCAEMM CS(C)(=O)=Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001296955890 865998187 /nfs/dbraw/zinc/99/81/87/865998187.db2.gz NNAVFDZRRXDQCP-UHFFFAOYSA-N -1 1 364.431 0.683 10 0 FCAEMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001297260178 866016264 /nfs/dbraw/zinc/01/62/64/866016264.db2.gz KIWXWFGALFSEMU-NEPJUHHUSA-N -1 1 371.459 0.699 10 0 FCAEMM CSc1nc(CNC(=O)c2ccnc(N3CCOCC3)n2)cc(=O)[n-]1 ZINC001299998968 866203531 /nfs/dbraw/zinc/20/35/31/866203531.db2.gz QSFQSWFPVOZMGV-UHFFFAOYSA-N -1 1 362.415 0.461 10 0 FCAEMM CSc1ncc(C(=O)NCCS(=O)(=O)CC(F)(F)F)c(=O)[n-]1 ZINC001300441858 866222626 /nfs/dbraw/zinc/22/26/26/866222626.db2.gz GVFZFIGFVIMMAU-UHFFFAOYSA-N -1 1 359.351 0.611 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)[C@@H](O)C1 ZINC001301610637 866275092 /nfs/dbraw/zinc/27/50/92/866275092.db2.gz UQIIPSDYDIRZIE-OLZOCXBDSA-N -1 1 350.371 0.671 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCS2)o1 ZINC001301677079 866281495 /nfs/dbraw/zinc/28/14/95/866281495.db2.gz VCIPSUXHAOIZNU-SECBINFHSA-N -1 1 361.445 0.059 10 0 FCAEMM O=C([N-]CC1CN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1)C(F)(F)F ZINC001302890014 866363511 /nfs/dbraw/zinc/36/35/11/866363511.db2.gz LGPCRNRGGMOQNC-VIFPVBQESA-N -1 1 361.324 0.065 10 0 FCAEMM COCCOC[C@H](C)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001351353276 866839925 /nfs/dbraw/zinc/83/99/25/866839925.db2.gz IGQLDYLASIOJIP-JTQLQIEISA-N -1 1 360.357 0.497 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001351691964 866942017 /nfs/dbraw/zinc/94/20/17/866942017.db2.gz BZDOSNXTZUINEG-JTQLQIEISA-N -1 1 374.488 0.614 10 0 FCAEMM O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001352794022 867255919 /nfs/dbraw/zinc/25/59/19/867255919.db2.gz RBQKRUOWFUEZFD-QWRGUYRKSA-N -1 1 362.356 0.244 10 0 FCAEMM O=C(NCCOC(F)(F)F)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001354572389 867628409 /nfs/dbraw/zinc/62/84/09/867628409.db2.gz LYSJRLBNABGJOE-UHFFFAOYSA-N -1 1 356.247 0.982 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCCN2Cc2cccnc2)n1 ZINC001318492924 867680562 /nfs/dbraw/zinc/68/05/62/867680562.db2.gz LQSAHOGDJMTWKB-GFCCVEGCSA-N -1 1 364.431 0.596 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)[n-]1 ZINC001318492924 867680571 /nfs/dbraw/zinc/68/05/71/867680571.db2.gz LQSAHOGDJMTWKB-GFCCVEGCSA-N -1 1 364.431 0.596 10 0 FCAEMM NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC001319813195 868009843 /nfs/dbraw/zinc/00/98/43/868009843.db2.gz WNMMFLPHBXGLJH-GFCCVEGCSA-N -1 1 350.404 0.008 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001324191370 869502730 /nfs/dbraw/zinc/50/27/30/869502730.db2.gz HABXYTAPWXGUBG-LBPRGKRZSA-N -1 1 369.399 0.751 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCOC1 ZINC001325226106 869821030 /nfs/dbraw/zinc/82/10/30/869821030.db2.gz FBIBNOVTZAVKIH-ZDUSSCGKSA-N -1 1 350.419 0.555 10 0 FCAEMM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC001326187124 870201150 /nfs/dbraw/zinc/20/11/50/870201150.db2.gz GVFYWWRZGPWDGA-LLVKDONJSA-N -1 1 369.443 0.848 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001326348132 870268215 /nfs/dbraw/zinc/26/82/15/870268215.db2.gz MWLHWGGDKIXWED-MRXNPFEDSA-N -1 1 369.443 0.644 10 0 FCAEMM CCS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001344266281 870790786 /nfs/dbraw/zinc/79/07/86/870790786.db2.gz BUILJZRPROZBDV-NWDGAFQWSA-N -1 1 369.443 0.237 10 0 FCAEMM Cn1cnc(C[N-]S(=O)(=O)Cc2ncsc2Br)n1 ZINC001329393673 871997379 /nfs/dbraw/zinc/99/73/79/871997379.db2.gz MCIXEUFTVKBPRG-UHFFFAOYSA-N -1 1 352.239 0.654 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3coc(S(C)(=O)=O)c3)nc2n1 ZINC001329653255 872158815 /nfs/dbraw/zinc/15/88/15/872158815.db2.gz CAWYWJWZMLRMHX-UHFFFAOYSA-N -1 1 365.371 0.619 10 0 FCAEMM CN1CCN(C)[C@H](CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001329825579 872288283 /nfs/dbraw/zinc/28/82/83/872288283.db2.gz KOTIOVIVIZMUML-SNVBAGLBSA-N -1 1 362.352 0.434 10 0 FCAEMM O=C(CN1CSCCSC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001332274191 873431257 /nfs/dbraw/zinc/43/12/57/873431257.db2.gz NPJKYKVJWWWGFC-UHFFFAOYSA-N -1 1 356.473 0.568 10 0 FCAEMM COC(=O)CN(CCN1CCN(C)CC1)Cc1ccc(C(=O)[O-])s1 ZINC001332454776 873514389 /nfs/dbraw/zinc/51/43/89/873514389.db2.gz FMMWEJZOHQOQJE-UHFFFAOYSA-N -1 1 355.460 0.669 10 0 FCAEMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001332474175 873523668 /nfs/dbraw/zinc/52/36/68/873523668.db2.gz OZQMLYHUUFGTTO-FQUUOJAGSA-N -1 1 357.476 0.888 10 0 FCAEMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)cc2C1 ZINC001333145234 873821540 /nfs/dbraw/zinc/82/15/40/873821540.db2.gz VNOFETQRWOAWPJ-JOCHJYFZSA-N -1 1 360.461 0.780 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)CC[C@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000293212943 214154157 /nfs/dbraw/zinc/15/41/57/214154157.db2.gz VCUKMWQZGDZCDG-IMJJTQAJSA-N -1 1 371.455 0.825 10 0 FCAEMM Cn1ccc(CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)n1 ZINC000930425824 674024075 /nfs/dbraw/zinc/02/40/75/674024075.db2.gz CPHZZSNYWMFERH-UHFFFAOYSA-N -1 1 352.341 0.422 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)CCc2scnc2C)CCSC1 ZINC000295238119 214286241 /nfs/dbraw/zinc/28/62/41/214286241.db2.gz XTLVYPULHIZRMV-LBPRGKRZSA-N -1 1 350.487 0.962 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cn1C ZINC000290994525 214007421 /nfs/dbraw/zinc/00/74/21/214007421.db2.gz UJGUJONXWSRSRC-UHFFFAOYSA-N -1 1 351.310 0.927 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000361491021 215396428 /nfs/dbraw/zinc/39/64/28/215396428.db2.gz PFWGJVDPDWBBJE-NSHDSACASA-N -1 1 367.431 0.320 10 0 FCAEMM CN1CC[C@@H]2OCCN(C(=O)c3cc(F)ccc3[N-]S(C)(=O)=O)[C@@H]2C1 ZINC000284865155 213237327 /nfs/dbraw/zinc/23/73/27/213237327.db2.gz DUDAZHCGHKOGQK-CABCVRRESA-N -1 1 371.434 0.742 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284583284 213173753 /nfs/dbraw/zinc/17/37/53/213173753.db2.gz RVQOHDBJTJPDTB-CABCVRRESA-N -1 1 359.430 0.113 10 0 FCAEMM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283809336 213010734 /nfs/dbraw/zinc/01/07/34/213010734.db2.gz XVGNGLKSEOBNPN-SECBINFHSA-N -1 1 365.340 0.512 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366711221 216020739 /nfs/dbraw/zinc/02/07/39/216020739.db2.gz QXYHWWXTWMZGET-OLZOCXBDSA-N -1 1 364.475 0.997 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367116808 216077706 /nfs/dbraw/zinc/07/77/06/216077706.db2.gz IFVWNOUXBTVHGD-QWHCGFSZSA-N -1 1 370.479 0.500 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@H]1COCC2 ZINC000368449333 216248589 /nfs/dbraw/zinc/24/85/89/216248589.db2.gz KMFOMJVGNMVOIA-BBATYDOGSA-N -1 1 357.366 0.575 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)n1 ZINC000369338388 216385824 /nfs/dbraw/zinc/38/58/24/216385824.db2.gz IGIFASNLRBVCRM-PWSUYJOCSA-N -1 1 372.447 0.668 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189502948 209254069 /nfs/dbraw/zinc/25/40/69/209254069.db2.gz YUSIRMDQQAQYHU-UHFFFAOYSA-N -1 1 357.414 0.721 10 0 FCAEMM COCCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-] ZINC000275316842 212005717 /nfs/dbraw/zinc/00/57/17/212005717.db2.gz RUVCMMAWJHFPCI-UHFFFAOYSA-N -1 1 371.459 0.915 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1Cl ZINC000374638528 217151933 /nfs/dbraw/zinc/15/19/33/217151933.db2.gz RIRPLWQJHJRZQD-MNOVXSKESA-N -1 1 363.867 0.920 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)c1Cl ZINC000183174420 209143307 /nfs/dbraw/zinc/14/33/07/209143307.db2.gz VGJWOJQSUPOTOA-NSHDSACASA-N -1 1 369.834 0.942 10 0 FCAEMM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc2o1 ZINC000416462848 245581719 /nfs/dbraw/zinc/58/17/19/245581719.db2.gz STFOLJORKAZHBS-SECBINFHSA-N -1 1 358.269 0.852 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2)n[nH]1 ZINC000424494320 247239093 /nfs/dbraw/zinc/23/90/93/247239093.db2.gz PKCWZFOUZSEJMW-OLZOCXBDSA-N -1 1 365.434 0.682 10 0 FCAEMM O=C(N[C@H](CO)CN1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000425293781 247317815 /nfs/dbraw/zinc/31/78/15/247317815.db2.gz LNXPNSCTXHSJFH-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436993153 248056492 /nfs/dbraw/zinc/05/64/92/248056492.db2.gz YXEVVISRKXGPNO-GFCCVEGCSA-N -1 1 372.443 0.788 10 0 FCAEMM CCOC(=O)CCS(=O)(=O)[N-][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444291816 248354523 /nfs/dbraw/zinc/35/45/23/248354523.db2.gz WHUBZZPFRIPWFJ-XHDPSFHLSA-N -1 1 365.448 0.606 10 0 FCAEMM COC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000271283595 211370703 /nfs/dbraw/zinc/37/07/03/211370703.db2.gz ASAMMJDEPPCVAA-UHFFFAOYSA-N -1 1 358.416 0.777 10 0 FCAEMM COc1ccc(-c2noc(CCC(=O)NC3(c4nn[n-]n4)CC3)n2)cc1 ZINC000470976033 250083237 /nfs/dbraw/zinc/08/32/37/250083237.db2.gz RDXUBGXGXDIRPT-UHFFFAOYSA-N -1 1 355.358 0.996 10 0 FCAEMM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470984633 250085604 /nfs/dbraw/zinc/08/56/04/250085604.db2.gz RWPLSIBVOOSFPG-GFCCVEGCSA-N -1 1 357.353 0.223 10 0 FCAEMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000471883248 250123025 /nfs/dbraw/zinc/12/30/25/250123025.db2.gz DKOXASUQBXMDED-SNVBAGLBSA-N -1 1 359.404 0.538 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccc(OC)cc1OC ZINC000472618735 250167994 /nfs/dbraw/zinc/16/79/94/250167994.db2.gz XXADSHOEIPAUAS-ZDUSSCGKSA-N -1 1 355.372 0.620 10 0 FCAEMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2nc[nH]n2)C1=O ZINC000473713927 250247360 /nfs/dbraw/zinc/24/73/60/250247360.db2.gz HVUGJTSFFNYVCO-WFASDCNBSA-N -1 1 357.370 0.280 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)O)c(Br)o1 ZINC000269785822 211077712 /nfs/dbraw/zinc/07/77/12/211077712.db2.gz PXKSCOZQTMXQNZ-ZCFIWIBFSA-N -1 1 356.194 0.878 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000067070788 208022886 /nfs/dbraw/zinc/02/28/86/208022886.db2.gz XUQZYBYSBLZOKE-ZDUSSCGKSA-N -1 1 355.402 0.637 10 0 FCAEMM Cn1cc(N2CC[C@@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)cn1 ZINC000117953622 208347596 /nfs/dbraw/zinc/34/75/96/208347596.db2.gz IZRZYZSTTZQUOY-CYBMUJFWSA-N -1 1 352.354 0.192 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119373450 208357873 /nfs/dbraw/zinc/35/78/73/208357873.db2.gz VEOYISUKWGBDGC-UHFFFAOYSA-N -1 1 366.385 0.944 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)o1 ZINC000119403223 208360355 /nfs/dbraw/zinc/36/03/55/208360355.db2.gz DQTVAQVHXSCKLQ-UHFFFAOYSA-N -1 1 350.360 0.564 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)no1 ZINC000266320541 210321359 /nfs/dbraw/zinc/32/13/59/210321359.db2.gz RARUYTMGYGKGST-GFCCVEGCSA-N -1 1 353.404 0.332 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)CC2(n3cnnn3)CCOCC2)[nH]n1 ZINC000621925873 484077430 /nfs/dbraw/zinc/07/74/30/484077430.db2.gz QDYPDFSUBPZSJE-UHFFFAOYSA-N -1 1 357.378 0.331 10 0 FCAEMM COc1ccc(OC)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000324838314 488907247 /nfs/dbraw/zinc/90/72/47/488907247.db2.gz CKSALRSZJYRQQG-UHFFFAOYSA-N -1 1 358.416 0.485 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000328648415 488926364 /nfs/dbraw/zinc/92/63/64/488926364.db2.gz UMQCNQGYTHNYHS-HIFRSBDPSA-N -1 1 369.425 0.973 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(Br)n1C ZINC000288140275 488949024 /nfs/dbraw/zinc/94/90/24/488949024.db2.gz NEGNTDCZHZJQQU-DTWKUNHWSA-N -1 1 352.254 0.930 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)o1 ZINC000030600174 487746361 /nfs/dbraw/zinc/74/63/61/487746361.db2.gz NINXQVKOCCYQDB-UHFFFAOYSA-N -1 1 361.383 0.698 10 0 FCAEMM Cc1nn(C)c(C)c1CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104845354 488506134 /nfs/dbraw/zinc/50/61/34/488506134.db2.gz TZJTWDXOCPPFSH-UHFFFAOYSA-N -1 1 356.430 0.891 10 0 FCAEMM Cc1ccccc1C(=O)NCC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000115163650 488543780 /nfs/dbraw/zinc/54/37/80/488543780.db2.gz LWUPDDVSSOIDES-UHFFFAOYSA-N -1 1 367.409 0.994 10 0 FCAEMM CCc1c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)[nH]c(C)c1C(N)=O ZINC000123043280 488582310 /nfs/dbraw/zinc/58/23/10/488582310.db2.gz ZAHZEULQQOMMQU-UHFFFAOYSA-N -1 1 370.413 0.867 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000273600432 488661351 /nfs/dbraw/zinc/66/13/51/488661351.db2.gz LARWURKATLBUEA-UHFFFAOYSA-N -1 1 369.425 0.872 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000274918212 488743684 /nfs/dbraw/zinc/74/36/84/488743684.db2.gz AMRYFOVNFHKUPG-AWEZNQCLSA-N -1 1 370.427 0.691 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000274918214 488743689 /nfs/dbraw/zinc/74/36/89/488743689.db2.gz AMRYFOVNFHKUPG-CQSZACIVSA-N -1 1 370.427 0.691 10 0 FCAEMM Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000274925415 488744346 /nfs/dbraw/zinc/74/43/46/488744346.db2.gz BWFIHPZYVOEBCH-SNVBAGLBSA-N -1 1 362.839 0.535 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000275062290 488757916 /nfs/dbraw/zinc/75/79/16/488757916.db2.gz ZBSBLQCGILHQSS-GFCCVEGCSA-N -1 1 370.427 0.675 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)o1 ZINC000171335576 488822177 /nfs/dbraw/zinc/82/21/77/488822177.db2.gz LNZZNRKWKGSOQK-LLVKDONJSA-N -1 1 368.415 0.974 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173963565 488846356 /nfs/dbraw/zinc/84/63/56/488846356.db2.gz YDERCKIRTDDOEG-LRDDRELGSA-N -1 1 373.457 0.361 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)o1 ZINC000174003279 488846823 /nfs/dbraw/zinc/84/68/23/488846823.db2.gz GMEWPOUKFHBFDR-SECBINFHSA-N -1 1 354.432 0.899 10 0 FCAEMM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289354824 489061001 /nfs/dbraw/zinc/06/10/01/489061001.db2.gz GQOWEBDKFWWCFN-ZDUSSCGKSA-N -1 1 365.459 0.728 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCN(c3cnn(C)c3)C1=O)c2=O ZINC000365322009 489063613 /nfs/dbraw/zinc/06/36/13/489063613.db2.gz UEQCUWUONHDHER-AWEZNQCLSA-N -1 1 366.381 0.913 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)cnc2n1 ZINC000365322009 489063617 /nfs/dbraw/zinc/06/36/17/489063617.db2.gz UEQCUWUONHDHER-AWEZNQCLSA-N -1 1 366.381 0.913 10 0 FCAEMM COc1cccc(S(=O)(=O)CCN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289470250 489069355 /nfs/dbraw/zinc/06/93/55/489069355.db2.gz QXDBICOHHRRGSV-GFCCVEGCSA-N -1 1 366.443 0.760 10 0 FCAEMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)N2CCOC[C@H]2C2CC2)n[n-]1 ZINC000365714389 489103555 /nfs/dbraw/zinc/10/35/55/489103555.db2.gz WTJCSNPZTOWELN-NSHDSACASA-N -1 1 356.448 0.513 10 0 FCAEMM Cn1ncc2c1nc(N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)nc2N ZINC000290752312 489163163 /nfs/dbraw/zinc/16/31/63/489163163.db2.gz SQHKKNYAPBVMPZ-MRVPVSSYSA-N -1 1 357.340 0.840 10 0 FCAEMM CCOCc1nc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)no1 ZINC000290804103 489166774 /nfs/dbraw/zinc/16/67/74/489166774.db2.gz AMMCWTQVLZRNSC-QMMMGPOBSA-N -1 1 358.376 0.598 10 0 FCAEMM O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899858 489197967 /nfs/dbraw/zinc/19/79/67/489197967.db2.gz LMWWUBSVPZUTMI-VXGBXAGGSA-N -1 1 359.386 0.446 10 0 FCAEMM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282917714 489199260 /nfs/dbraw/zinc/19/92/60/489199260.db2.gz NLWHBWWUYNWIIS-LBPRGKRZSA-N -1 1 368.397 0.715 10 0 FCAEMM O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298837868 489372097 /nfs/dbraw/zinc/37/20/97/489372097.db2.gz DESSDMCBJCKWQM-ZDUSSCGKSA-N -1 1 355.398 0.783 10 0 FCAEMM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000286558893 489404356 /nfs/dbraw/zinc/40/43/56/489404356.db2.gz ZZDIRYCISHPTQZ-NSHDSACASA-N -1 1 369.472 0.514 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852391 489411339 /nfs/dbraw/zinc/41/13/39/489411339.db2.gz NHNGGJROYPBGQK-NEPJUHHUSA-N -1 1 366.447 0.191 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370870785 489418549 /nfs/dbraw/zinc/41/85/49/489418549.db2.gz WHJYYESCTIBFDS-DCAQKATOSA-N -1 1 354.436 0.047 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(Br)n1C ZINC000286784119 489428782 /nfs/dbraw/zinc/42/87/82/489428782.db2.gz GJHKSCRNJUAWNK-MRVPVSSYSA-N -1 1 365.253 0.390 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C(F)(F)F ZINC000299567426 489457073 /nfs/dbraw/zinc/45/70/73/489457073.db2.gz AIFBUKBGWQUSMS-UHFFFAOYSA-N -1 1 354.306 0.914 10 0 FCAEMM CCc1ncc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC)o1 ZINC000451954716 489534293 /nfs/dbraw/zinc/53/42/93/489534293.db2.gz BPOFWVVKXSZLKB-UHFFFAOYSA-N -1 1 359.429 0.624 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c([O-])c1 ZINC000427006610 489590803 /nfs/dbraw/zinc/59/08/03/489590803.db2.gz CZTCXRUZHCUAOH-UHFFFAOYSA-N -1 1 362.415 0.344 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccc2N1C ZINC000427994506 489632044 /nfs/dbraw/zinc/63/20/44/489632044.db2.gz HOJJHHIARLHNRH-SSDOTTSWSA-N -1 1 364.387 0.237 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccc2N1C ZINC000427994506 489632047 /nfs/dbraw/zinc/63/20/47/489632047.db2.gz HOJJHHIARLHNRH-SSDOTTSWSA-N -1 1 364.387 0.237 10 0 FCAEMM C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430334456 489732041 /nfs/dbraw/zinc/73/20/41/489732041.db2.gz VCPODADRAWNUBY-KRWDZBQOSA-N -1 1 370.413 0.380 10 0 FCAEMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc2c(c1)OCCO2 ZINC000494376946 489887818 /nfs/dbraw/zinc/88/78/18/489887818.db2.gz LOGXAMGRHRMYNN-UHFFFAOYSA-N -1 1 366.399 0.896 10 0 FCAEMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc2c(c1)OCCO2 ZINC000494376946 489887822 /nfs/dbraw/zinc/88/78/22/489887822.db2.gz LOGXAMGRHRMYNN-UHFFFAOYSA-N -1 1 366.399 0.896 10 0 FCAEMM COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1OCc1cnn(C)c1 ZINC000477016047 489931251 /nfs/dbraw/zinc/93/12/51/489931251.db2.gz BUEWWEFBAAXJIE-UHFFFAOYSA-N -1 1 369.385 0.940 10 0 FCAEMM CC(=O)N[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1c(F)cccc1F ZINC000477025672 489932918 /nfs/dbraw/zinc/93/29/18/489932918.db2.gz OEGFYXKJUYUBQV-NSHDSACASA-N -1 1 350.329 0.851 10 0 FCAEMM CN(C)c1ncc(Br)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477042269 489935082 /nfs/dbraw/zinc/93/50/82/489935082.db2.gz HRYPMMBOYXINSN-UHFFFAOYSA-N -1 1 352.196 0.842 10 0 FCAEMM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3(c4nn[n-]n4)CC3)cc12 ZINC000477053827 489935846 /nfs/dbraw/zinc/93/58/46/489935846.db2.gz ZUIINYZALVKXOU-QMMMGPOBSA-N -1 1 374.430 0.380 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000477372544 489960518 /nfs/dbraw/zinc/96/05/18/489960518.db2.gz DNUCPFKGDUKMEF-NSHDSACASA-N -1 1 358.354 0.774 10 0 FCAEMM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462155717 489961750 /nfs/dbraw/zinc/96/17/50/489961750.db2.gz NUUDTEOVKWNKBW-LBPRGKRZSA-N -1 1 366.436 0.731 10 0 FCAEMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000462703371 489989093 /nfs/dbraw/zinc/98/90/93/489989093.db2.gz JYFIWFZETRVOMH-SNVBAGLBSA-N -1 1 355.416 0.285 10 0 FCAEMM CCC(CC)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCOCC1 ZINC000439150157 490039053 /nfs/dbraw/zinc/03/90/53/490039053.db2.gz GMXGHALIFHISPI-LLVKDONJSA-N -1 1 359.452 0.284 10 0 FCAEMM CCC(CC)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCOCC1 ZINC000439150157 490039056 /nfs/dbraw/zinc/03/90/56/490039056.db2.gz GMXGHALIFHISPI-LLVKDONJSA-N -1 1 359.452 0.284 10 0 FCAEMM COC[C@@](C)([N-]S(=O)(=O)c1cnn(CC(=O)OC)c1)C(F)(F)F ZINC000479159090 490070773 /nfs/dbraw/zinc/07/07/73/490070773.db2.gz QKWQXZZBWTVLGB-SNVBAGLBSA-N -1 1 359.326 0.302 10 0 FCAEMM COC[C@](C)([N-]S(=O)(=O)c1cnn(CC(=O)OC)c1)C(F)(F)F ZINC000479159089 490070898 /nfs/dbraw/zinc/07/08/98/490070898.db2.gz QKWQXZZBWTVLGB-JTQLQIEISA-N -1 1 359.326 0.302 10 0 FCAEMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793566 490116472 /nfs/dbraw/zinc/11/64/72/490116472.db2.gz DZOOEDHPAXMKIW-LLVKDONJSA-N -1 1 369.385 0.412 10 0 FCAEMM COc1ccc(C(=O)C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1Cl ZINC000546192664 490205437 /nfs/dbraw/zinc/20/54/37/490205437.db2.gz ILGNBHUTBNGWQS-UHFFFAOYSA-N -1 1 358.763 0.692 10 0 FCAEMM COc1ccc(C(=O)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1Cl ZINC000546192664 490205444 /nfs/dbraw/zinc/20/54/44/490205444.db2.gz ILGNBHUTBNGWQS-UHFFFAOYSA-N -1 1 358.763 0.692 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)o1 ZINC000497798803 490217183 /nfs/dbraw/zinc/21/71/83/490217183.db2.gz OJEUGZGODTWWQN-CYBMUJFWSA-N -1 1 368.367 0.537 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)o1 ZINC000408051649 490228884 /nfs/dbraw/zinc/22/88/84/490228884.db2.gz LELRFWQCBFZVKE-TUAOUCFPSA-N -1 1 358.416 0.190 10 0 FCAEMM O=C1COc2cc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)ccc2N1 ZINC000521560101 490274258 /nfs/dbraw/zinc/27/42/58/490274258.db2.gz VLKCOFGLVLLPFZ-UHFFFAOYSA-N -1 1 372.366 0.794 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000547565418 490319354 /nfs/dbraw/zinc/31/93/54/490319354.db2.gz NTWAFMGYSUFYDZ-INIZCTEOSA-N -1 1 367.471 0.818 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c(C(F)(F)F)n1 ZINC000549316190 490574546 /nfs/dbraw/zinc/57/45/46/490574546.db2.gz PWQXVTZXDIAJHZ-UHFFFAOYSA-N -1 1 364.353 0.498 10 0 FCAEMM Cn1nc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2ccccc2c1=O ZINC000537122600 490650716 /nfs/dbraw/zinc/65/07/16/490650716.db2.gz FNZRHDZSPQQJOE-NSHDSACASA-N -1 1 353.386 0.395 10 0 FCAEMM COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)CO2 ZINC000512625400 490690999 /nfs/dbraw/zinc/69/09/99/490690999.db2.gz PMQWKBNGXNPNSZ-VIFPVBQESA-N -1 1 352.372 0.407 10 0 FCAEMM COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)CO2 ZINC000512625400 490691002 /nfs/dbraw/zinc/69/10/02/490691002.db2.gz PMQWKBNGXNPNSZ-VIFPVBQESA-N -1 1 352.372 0.407 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000528122538 490779220 /nfs/dbraw/zinc/77/92/20/490779220.db2.gz XSZZVHMRAPIAIG-CQSZACIVSA-N -1 1 372.429 0.995 10 0 FCAEMM C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540803514 490835650 /nfs/dbraw/zinc/83/56/50/490835650.db2.gz BOLYMYSUXYVXKX-SNVBAGLBSA-N -1 1 366.395 0.938 10 0 FCAEMM CCc1nc(SCC(=O)N(C)CC(=O)N2CCOCC2)[n-]c(=O)c1C ZINC000517246886 490900995 /nfs/dbraw/zinc/90/09/95/490900995.db2.gz APQLNKHDODBRGM-UHFFFAOYSA-N -1 1 368.459 0.462 10 0 FCAEMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1 ZINC000518183449 490932484 /nfs/dbraw/zinc/93/24/84/490932484.db2.gz XOTJBFMNFALMRC-AWEZNQCLSA-N -1 1 370.427 0.756 10 0 FCAEMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000574206418 491480904 /nfs/dbraw/zinc/48/09/04/491480904.db2.gz VHBYPDURRKTHNF-UHFFFAOYSA-N -1 1 366.342 0.645 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](CO)c1cccnc1 ZINC000561652092 491622892 /nfs/dbraw/zinc/62/28/92/491622892.db2.gz DIWVVBJSOOYJGM-CQSZACIVSA-N -1 1 355.398 0.882 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000579953039 491710664 /nfs/dbraw/zinc/71/06/64/491710664.db2.gz CALMWHFAQQFCJC-HUUCEWRRSA-N -1 1 356.444 0.900 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)sc1C ZINC000580057070 491715325 /nfs/dbraw/zinc/71/53/25/491715325.db2.gz UNESIAPGEGYHEF-NSHDSACASA-N -1 1 367.518 0.852 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)nc2n1 ZINC000588006732 491737229 /nfs/dbraw/zinc/73/72/29/491737229.db2.gz SRZPGCQWOZNCSB-NSHDSACASA-N -1 1 352.354 0.718 10 0 FCAEMM O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1n[nH]c(=O)[n-]1 ZINC000588704145 491746832 /nfs/dbraw/zinc/74/68/32/491746832.db2.gz KBPZLOAKXGWIRG-UHFFFAOYSA-N -1 1 364.163 0.988 10 0 FCAEMM O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1n[nH]c(=O)[n-]1 ZINC000588704145 491746833 /nfs/dbraw/zinc/74/68/33/491746833.db2.gz KBPZLOAKXGWIRG-UHFFFAOYSA-N -1 1 364.163 0.988 10 0 FCAEMM Cn1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])n1 ZINC000589684675 491764822 /nfs/dbraw/zinc/76/48/22/491764822.db2.gz TVJBZWONEVVJKM-UHFFFAOYSA-N -1 1 366.399 0.399 10 0 FCAEMM COCCCNC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000581468295 491774235 /nfs/dbraw/zinc/77/42/35/491774235.db2.gz QHLTVWHNWQZVTF-NSHDSACASA-N -1 1 352.416 0.787 10 0 FCAEMM COCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000581468295 491774236 /nfs/dbraw/zinc/77/42/36/491774236.db2.gz QHLTVWHNWQZVTF-NSHDSACASA-N -1 1 352.416 0.787 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCC(F)(F)F)c1ccnn1C ZINC000592091881 491831666 /nfs/dbraw/zinc/83/16/66/491831666.db2.gz MMQZJVSGYFGVLF-SECBINFHSA-N -1 1 359.326 0.133 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccnn1C ZINC000592090733 491831758 /nfs/dbraw/zinc/83/17/58/491831758.db2.gz DBKFXAHBAVUXNU-OAHLLOKOSA-N -1 1 365.411 0.938 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1cc(Br)ccc1[O-] ZINC000600504473 491866004 /nfs/dbraw/zinc/86/60/04/491866004.db2.gz POQAFISJTUAVAV-UHFFFAOYSA-N -1 1 373.203 0.954 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)o1 ZINC000600560959 491868738 /nfs/dbraw/zinc/86/87/38/491868738.db2.gz XFOLYCINUJVQNB-WOPDTQHZSA-N -1 1 370.427 0.992 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000612814329 491952390 /nfs/dbraw/zinc/95/23/90/491952390.db2.gz BERCWGDAGONYIF-AXFHLTTASA-N -1 1 363.340 0.890 10 0 FCAEMM O=C(NC[C@@H]1CN2CCN1CCC2)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000614506086 492034187 /nfs/dbraw/zinc/03/41/87/492034187.db2.gz VNUHAPYKVXFBNL-OAHLLOKOSA-N -1 1 359.405 0.837 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)n[n-]1 ZINC000597582078 492049257 /nfs/dbraw/zinc/04/92/57/492049257.db2.gz VTQBZFFJZYREFC-NXEZZACHSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)[n-]1 ZINC000597582078 492049259 /nfs/dbraw/zinc/04/92/59/492049259.db2.gz VTQBZFFJZYREFC-NXEZZACHSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC000597582078 492049261 /nfs/dbraw/zinc/04/92/61/492049261.db2.gz VTQBZFFJZYREFC-NXEZZACHSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(OC)c(OC)c2OC)n[n-]1 ZINC000615916976 492107351 /nfs/dbraw/zinc/10/73/51/492107351.db2.gz ILSOPHRYLANHMT-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(OC)c(OC)c2OC)n1 ZINC000615916976 492107352 /nfs/dbraw/zinc/10/73/52/492107352.db2.gz ILSOPHRYLANHMT-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN2c2nccs2)n[n-]1 ZINC000615919619 492107836 /nfs/dbraw/zinc/10/78/36/492107836.db2.gz HNFSOKFLRCYNER-VIFPVBQESA-N -1 1 350.404 0.723 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN2c2nccs2)n1 ZINC000615919619 492107839 /nfs/dbraw/zinc/10/78/39/492107839.db2.gz HNFSOKFLRCYNER-VIFPVBQESA-N -1 1 350.404 0.723 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cnn(-c3ccccn3)c2C)n[n-]1 ZINC000615919626 492108107 /nfs/dbraw/zinc/10/81/07/492108107.db2.gz HTDGMDVDNVGNFS-UHFFFAOYSA-N -1 1 355.358 0.801 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnn(-c3ccccn3)c2C)n1 ZINC000615919626 492108108 /nfs/dbraw/zinc/10/81/08/492108108.db2.gz HTDGMDVDNVGNFS-UHFFFAOYSA-N -1 1 355.358 0.801 10 0 FCAEMM CN(C)C(=O)Nc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000606931352 492133631 /nfs/dbraw/zinc/13/36/31/492133631.db2.gz RZJGDCYZKBIYCX-UHFFFAOYSA-N -1 1 352.376 0.554 10 0 FCAEMM CN(C)C(=O)Nc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000606931352 492133635 /nfs/dbraw/zinc/13/36/35/492133635.db2.gz RZJGDCYZKBIYCX-UHFFFAOYSA-N -1 1 352.376 0.554 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]C2(C(=O)OC)CCCC2)on1 ZINC000599211125 492142428 /nfs/dbraw/zinc/14/24/28/492142428.db2.gz QUMISFSUMYMIOC-UHFFFAOYSA-N -1 1 360.388 0.757 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)co1 ZINC000617497730 492171888 /nfs/dbraw/zinc/17/18/88/492171888.db2.gz YBEHRBQHWPTKKS-GFCCVEGCSA-N -1 1 363.395 0.505 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)o1 ZINC000617526577 492174255 /nfs/dbraw/zinc/17/42/55/492174255.db2.gz BZLKCDYQVYBWJA-IJLUTSLNSA-N -1 1 360.432 0.484 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608909241 492195743 /nfs/dbraw/zinc/19/57/43/492195743.db2.gz DRNZSLIRMVOQOW-UHFFFAOYSA-N -1 1 362.371 0.968 10 0 FCAEMM CC1(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1(F)F ZINC000619394898 492261826 /nfs/dbraw/zinc/26/18/26/492261826.db2.gz YAVFIUXJONZPDU-MRVPVSSYSA-N -1 1 365.358 0.064 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C3CCC3)C2)o1 ZINC000620208418 492298862 /nfs/dbraw/zinc/29/88/62/492298862.db2.gz PCJMVSNGZNZUMD-LBPRGKRZSA-N -1 1 369.443 0.696 10 0 FCAEMM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620723748 492327904 /nfs/dbraw/zinc/32/79/04/492327904.db2.gz QEMWXXNRSRNNFL-HNNXBMFYSA-N -1 1 371.441 0.032 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)NC(N)=O ZINC000655001350 492390529 /nfs/dbraw/zinc/39/05/29/492390529.db2.gz YETQTSDSWIRWOZ-UPONEAKYSA-N -1 1 355.761 0.645 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(N3CCCCC3)ncn2)n1 ZINC000621793025 492412626 /nfs/dbraw/zinc/41/26/26/492412626.db2.gz SGUSRWDMGZLYNB-UHFFFAOYSA-N -1 1 351.392 0.241 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(N3CCCCC3)ncn2)[n-]1 ZINC000621793025 492412629 /nfs/dbraw/zinc/41/26/29/492412629.db2.gz SGUSRWDMGZLYNB-UHFFFAOYSA-N -1 1 351.392 0.241 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(NC(=O)[C@H]4C[C@H]4C)cc3)nc2n1 ZINC000622871767 492491897 /nfs/dbraw/zinc/49/18/97/492491897.db2.gz ICOMTZFCOHBOCQ-RNCFNFMXSA-N -1 1 366.381 0.995 10 0 FCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871140 492491912 /nfs/dbraw/zinc/49/19/12/492491912.db2.gz ROWYPBUMEUUBBC-SNVBAGLBSA-N -1 1 364.431 0.756 10 0 FCAEMM C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C(=O)[O-] ZINC000656006749 492513251 /nfs/dbraw/zinc/51/32/51/492513251.db2.gz UFDYDDMQHYNGTM-LSDHHAIUSA-N -1 1 361.442 0.946 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)nc2n1 ZINC000643909426 492601273 /nfs/dbraw/zinc/60/12/73/492601273.db2.gz XPUJDYFUYHYSBV-AWEZNQCLSA-N -1 1 368.397 0.566 10 0 FCAEMM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)O1 ZINC000656934793 492672612 /nfs/dbraw/zinc/67/26/12/492672612.db2.gz LKASPGDHUZZVEL-CBAPKCEASA-N -1 1 364.221 0.155 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)[C@@H]1CCOC1 ZINC000656956499 492678749 /nfs/dbraw/zinc/67/87/49/492678749.db2.gz INOSOYORTBTMLL-SFYZADRCSA-N -1 1 359.326 0.559 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000650884167 492681699 /nfs/dbraw/zinc/68/16/99/492681699.db2.gz TUAVOPQJNDGEBZ-OAHLLOKOSA-N -1 1 370.413 0.928 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000625027214 492713214 /nfs/dbraw/zinc/71/32/14/492713214.db2.gz KJLUVZKBGMWRIH-KCPJHIHWSA-N -1 1 370.475 0.648 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000657166567 492735649 /nfs/dbraw/zinc/73/56/49/492735649.db2.gz JSXYPZNXBBSAJF-TVQRCGJNSA-N -1 1 364.420 0.343 10 0 FCAEMM O=C(NCCO)c1ccc(=NCCc2ccc3c(c2)OC(F)(F)O3)[n-]n1 ZINC000651466867 492763849 /nfs/dbraw/zinc/76/38/49/492763849.db2.gz MAVZIPLYOZVACS-UHFFFAOYSA-N -1 1 366.324 0.597 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NCCCN2CCc3ccccc3C2)[n-]1 ZINC000651503228 492769920 /nfs/dbraw/zinc/76/99/20/492769920.db2.gz ROFUREOPQKKLRT-UHFFFAOYSA-N -1 1 370.457 0.784 10 0 FCAEMM COC1(CS(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)CCOCC1 ZINC000651677683 492805028 /nfs/dbraw/zinc/80/50/28/492805028.db2.gz QCPSMRLCUMBQPJ-UHFFFAOYSA-N -1 1 359.326 0.703 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O)[C@H]1CCOC1 ZINC000625521262 492809547 /nfs/dbraw/zinc/80/95/47/492809547.db2.gz HJMVVBZBSJEMSJ-AEGPPILISA-N -1 1 354.428 0.521 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC000632047982 492919199 /nfs/dbraw/zinc/91/91/99/492919199.db2.gz XFBBQKOMGZJJLT-GJMOJQLCSA-N -1 1 352.338 0.716 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)sn1 ZINC000632334031 492976061 /nfs/dbraw/zinc/97/60/61/492976061.db2.gz SMYYLPMJKSHGNQ-SNVBAGLBSA-N -1 1 353.491 0.544 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)o1 ZINC000652709793 492996672 /nfs/dbraw/zinc/99/66/72/492996672.db2.gz ZQKJANLBTWIWJI-KRWDZBQOSA-N -1 1 364.423 0.794 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)N=c3ncn(C(C)(C)C)[n-]3)[C@H](C)C2)n[nH]1 ZINC000652901252 493038693 /nfs/dbraw/zinc/03/86/93/493038693.db2.gz IDLSJDKCHQGXHC-GFCCVEGCSA-N -1 1 374.449 0.865 10 0 FCAEMM CS(=O)(=O)NC[C@H]1COCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633695139 493183305 /nfs/dbraw/zinc/18/33/05/493183305.db2.gz CJNBFRPZZFGDEF-NSHDSACASA-N -1 1 362.835 0.365 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cnccc1NC(C)=O)C1CCOCC1 ZINC000647273793 493189023 /nfs/dbraw/zinc/18/90/23/493189023.db2.gz KSYLUJRWJCFAEN-OAHLLOKOSA-N -1 1 357.432 0.645 10 0 FCAEMM CS(=O)(=O)c1ccc(OCCN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000662220159 493497828 /nfs/dbraw/zinc/49/78/28/493497828.db2.gz SSSZLZLUIFELQP-MLGOLLRUSA-N -1 1 355.412 0.502 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)sc1C ZINC000676416761 493550364 /nfs/dbraw/zinc/55/03/64/493550364.db2.gz SDRMZRJMVWRGFG-QPUJVOFHSA-N -1 1 369.472 0.966 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)sc1C ZINC000676415805 493550393 /nfs/dbraw/zinc/55/03/93/493550393.db2.gz CDBGBRXHYOLZCA-HZMBPMFUSA-N -1 1 372.472 0.759 10 0 FCAEMM CCOc1cc(C(=O)N[C@H](CO)CN2CCOCC2)cc(Cl)c1[O-] ZINC000670385351 493559760 /nfs/dbraw/zinc/55/97/60/493559760.db2.gz TXILPOKUEUYGLZ-LBPRGKRZSA-N -1 1 358.822 0.867 10 0 FCAEMM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677926498 493624504 /nfs/dbraw/zinc/62/45/04/493624504.db2.gz JZLNLHPJWMLLIN-GFCCVEGCSA-N -1 1 355.358 0.423 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)o1 ZINC000672184651 493741433 /nfs/dbraw/zinc/74/14/33/493741433.db2.gz YSMOBMYJVCTBFH-CBAPKCEASA-N -1 1 356.322 0.980 10 0 FCAEMM COc1ccc(NC(=O)NC[C@@H]2CCC(=O)N2)cc1[N-]S(C)(=O)=O ZINC000666201229 493761865 /nfs/dbraw/zinc/76/18/65/493761865.db2.gz RIUTUBGNSRKRFG-JTQLQIEISA-N -1 1 356.404 0.467 10 0 FCAEMM COC(=O)CC1(NC(=O)c2ccc([O-])cc2F)CCS(=O)(=O)CC1 ZINC000440139726 536440562 /nfs/dbraw/zinc/44/05/62/536440562.db2.gz WUAROORCMJKKHF-UHFFFAOYSA-N -1 1 359.375 0.772 10 0 FCAEMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000589434761 546580142 /nfs/dbraw/zinc/58/01/42/546580142.db2.gz UPXYVWRSRZEOJK-UHFFFAOYSA-N -1 1 363.395 0.711 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1ccnn1C ZINC000592094053 546611303 /nfs/dbraw/zinc/61/13/03/546611303.db2.gz ANECDNAQOHZCIO-CYBMUJFWSA-N -1 1 353.404 0.074 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000594471445 546792185 /nfs/dbraw/zinc/79/21/85/546792185.db2.gz FBOGUJWGUDJFBK-UTUOFQBUSA-N -1 1 360.432 0.842 10 0 FCAEMM COC(=O)c1c[nH]c(C(=O)OC)c1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000551107317 547125575 /nfs/dbraw/zinc/12/55/75/547125575.db2.gz PHFAPWUBFIVQRD-SECBINFHSA-N -1 1 359.404 0.977 10 0 FCAEMM CCNC(=O)C[C@H]1CCCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000552420971 547207973 /nfs/dbraw/zinc/20/79/73/547207973.db2.gz AULJUBIKKHTEBM-GFCCVEGCSA-N -1 1 357.432 0.709 10 0 FCAEMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cn1 ZINC000866870994 663472750 /nfs/dbraw/zinc/47/27/50/663472750.db2.gz AIOIAJIHUOQWCU-LBPRGKRZSA-N -1 1 361.493 0.485 10 0 FCAEMM CO[C@H](CS(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1)c1ccccc1 ZINC000297010765 664243919 /nfs/dbraw/zinc/24/39/19/664243919.db2.gz KAFUTIZMNCRQAB-CQSZACIVSA-N -1 1 366.443 0.995 10 0 FCAEMM COC(=O)/C(C)=C\CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000925019372 664958588 /nfs/dbraw/zinc/95/85/88/664958588.db2.gz WKHDGMFCBOQUJH-VVOKDJNJSA-N -1 1 351.325 0.958 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC[S@@](C)=O)c(F)cc1Cl ZINC000795844390 665111891 /nfs/dbraw/zinc/11/18/91/665111891.db2.gz IYROYAXMUUDYDZ-HXUWFJFHSA-N -1 1 357.812 0.923 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)C1(N2CCOCC2)CCCC1 ZINC000866942814 665227364 /nfs/dbraw/zinc/22/73/64/665227364.db2.gz YUYIGUQPNUHKQK-MCMMXHMISA-N -1 1 367.537 0.972 10 0 FCAEMM COC[C@](C)([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000866947745 665238116 /nfs/dbraw/zinc/23/81/16/665238116.db2.gz DWXILAQFHHOKQA-JTQLQIEISA-N -1 1 359.326 0.295 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000866967046 665252815 /nfs/dbraw/zinc/25/28/15/665252815.db2.gz GGYKEKVCCVFUJQ-QWHCGFSZSA-N -1 1 350.481 0.603 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000866968571 665255676 /nfs/dbraw/zinc/25/56/76/665255676.db2.gz OIKWDCKDIVNDBG-QRQYBIJMSA-N -1 1 353.510 0.582 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000905860501 666039872 /nfs/dbraw/zinc/03/98/72/666039872.db2.gz AIHRQECUXQYJGJ-SSDOTTSWSA-N -1 1 353.119 0.586 10 0 FCAEMM CN1C(=O)C[C@@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C1=O ZINC000908053471 666178884 /nfs/dbraw/zinc/17/88/84/666178884.db2.gz OCNOKXCPHXZNEZ-SSDOTTSWSA-N -1 1 362.130 0.809 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000908718598 666215722 /nfs/dbraw/zinc/21/57/22/666215722.db2.gz YYKJPPIRQJVWOL-OWCLPIDISA-N -1 1 352.479 0.766 10 0 FCAEMM C/C=C\[C@@H](O)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000908972700 666222474 /nfs/dbraw/zinc/22/24/74/666222474.db2.gz UVXODQCCOLTVBP-HLHXBDCVSA-N -1 1 364.364 0.998 10 0 FCAEMM C/C=C\[C@H](O)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000908972706 666222552 /nfs/dbraw/zinc/22/25/52/666222552.db2.gz UVXODQCCOLTVBP-RFEPNUPZSA-N -1 1 364.364 0.998 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)c3csc(C(=O)[O-])n3)ccn2)CC1 ZINC000911180247 666322336 /nfs/dbraw/zinc/32/23/36/666322336.db2.gz IXTGQNJWWGGCLG-UHFFFAOYSA-N -1 1 361.427 0.918 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(CO)COCCN2C)c(F)c1 ZINC000921339078 666436491 /nfs/dbraw/zinc/43/64/91/666436491.db2.gz WSAQAOMTMFHDSP-AWEZNQCLSA-N -1 1 350.387 0.245 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000921379666 666442413 /nfs/dbraw/zinc/44/24/13/666442413.db2.gz KCUWKEYFXPFACL-NSHDSACASA-N -1 1 353.343 0.830 10 0 FCAEMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000921407964 666446105 /nfs/dbraw/zinc/44/61/05/666446105.db2.gz OLCSRMVIXFRRON-SNVBAGLBSA-N -1 1 366.436 0.997 10 0 FCAEMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499097 666530628 /nfs/dbraw/zinc/53/06/28/666530628.db2.gz MLGHLDBXJHNQRQ-VHSXEESVSA-N -1 1 350.345 0.666 10 0 FCAEMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccsc2Br)C1=O ZINC000915322179 666842289 /nfs/dbraw/zinc/84/22/89/666842289.db2.gz MUZTYWHLQQPEQZ-SSDOTTSWSA-N -1 1 367.246 0.687 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NNc2c(F)c(F)nc(F)c2F)o1 ZINC000032673127 666987969 /nfs/dbraw/zinc/98/79/69/666987969.db2.gz ARDYTKAMBGILJN-UHFFFAOYSA-N -1 1 368.268 0.896 10 0 FCAEMM O=S(=O)([N-]C1CC(CO)(CO)C1)c1ccc(Br)nc1F ZINC000918420224 667120285 /nfs/dbraw/zinc/12/02/85/667120285.db2.gz UWQRRTFBIJXBAT-UHFFFAOYSA-N -1 1 369.212 0.395 10 0 FCAEMM CCOC(=O)c1cc(=O)n(CC(=O)CC[N-]C(=O)C(F)(F)F)cc1C ZINC000919044710 667151465 /nfs/dbraw/zinc/15/14/65/667151465.db2.gz TXYCBZDSPKYVDF-UHFFFAOYSA-N -1 1 362.304 0.971 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]CC(=O)N1CCCCc2ccccc21 ZINC000921686895 667248000 /nfs/dbraw/zinc/24/80/00/667248000.db2.gz RYZGZIMLZJLILZ-UHFFFAOYSA-N -1 1 370.471 0.937 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000921864776 667522610 /nfs/dbraw/zinc/52/26/10/667522610.db2.gz VJSTUSYLIQKGPD-MWLCHTKSSA-N -1 1 357.354 0.775 10 0 FCAEMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCCOC(C)=O)(C(=O)OC)C1(C)C ZINC000805072622 667614136 /nfs/dbraw/zinc/61/41/36/667614136.db2.gz SHCWPFJNPLYHDL-IUODEOHRSA-N -1 1 365.448 0.606 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)co1 ZINC000756404940 667673438 /nfs/dbraw/zinc/67/34/38/667673438.db2.gz ORMONXIMSXRTMQ-UHFFFAOYSA-N -1 1 367.335 0.956 10 0 FCAEMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000805138315 667721723 /nfs/dbraw/zinc/72/17/23/667721723.db2.gz QNFJPTXZOBGGJQ-SNVBAGLBSA-N -1 1 351.327 0.792 10 0 FCAEMM CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923254535 667816958 /nfs/dbraw/zinc/81/69/58/667816958.db2.gz ATHUVQOKKQCFBM-QJPTWQEYSA-N -1 1 370.368 0.759 10 0 FCAEMM Cc1sc2ncn(CCC(=O)OCc3nc(=O)n(C)[n-]3)c(=O)c2c1C ZINC000765411449 668006051 /nfs/dbraw/zinc/00/60/51/668006051.db2.gz WQGDOAXPEIUWOV-UHFFFAOYSA-N -1 1 363.399 0.630 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)nc1=O ZINC000765457233 668007276 /nfs/dbraw/zinc/00/72/76/668007276.db2.gz GYTUPYYOGNOWDW-QMMMGPOBSA-N -1 1 352.297 0.483 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(CC[S@@](C)=O)CC3)cnc2n1 ZINC000741140333 668011879 /nfs/dbraw/zinc/01/18/79/668011879.db2.gz JXWGCQPOFOOQOR-RUZDIDTESA-N -1 1 362.455 0.780 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(CC[S@@](C)=O)CC3)c[n-]c2n1 ZINC000741140333 668011881 /nfs/dbraw/zinc/01/18/81/668011881.db2.gz JXWGCQPOFOOQOR-RUZDIDTESA-N -1 1 362.455 0.780 10 0 FCAEMM C[C@H]1CCCN1S(=O)(=O)NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769869978 668159621 /nfs/dbraw/zinc/15/96/21/668159621.db2.gz FCTJIDBEHQOKQO-VIFPVBQESA-N -1 1 369.451 0.933 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776436333 668261262 /nfs/dbraw/zinc/26/12/62/668261262.db2.gz BBNMJPWWKQBSFE-SECBINFHSA-N -1 1 369.790 0.685 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776436345 668261747 /nfs/dbraw/zinc/26/17/47/668261747.db2.gz BBNMJPWWKQBSFE-VIFPVBQESA-N -1 1 369.790 0.685 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777906324 668341535 /nfs/dbraw/zinc/34/15/35/668341535.db2.gz GPXYJZWFUHCLDR-AWEZNQCLSA-N -1 1 356.448 0.511 10 0 FCAEMM C[C@H]1C[C@@H](COC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000786197749 668749813 /nfs/dbraw/zinc/74/98/13/668749813.db2.gz MRWQOEJJKGEHFD-UWVGGRQHSA-N -1 1 360.388 0.015 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)c(F)cc1Cl ZINC000795776799 669061786 /nfs/dbraw/zinc/06/17/86/669061786.db2.gz UHRVMFVCUPNVKF-UHFFFAOYSA-N -1 1 364.782 0.823 10 0 FCAEMM COC[C@@H](O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795903871 669070660 /nfs/dbraw/zinc/07/06/60/669070660.db2.gz OQYXDRQWRCSPRB-QMMMGPOBSA-N -1 1 369.798 0.941 10 0 FCAEMM CC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000824345908 669386011 /nfs/dbraw/zinc/38/60/11/669386011.db2.gz OLRXZIOXZNNABM-JLLWLGSASA-N -1 1 365.352 0.292 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)ccnc1-2 ZINC000806493040 669417471 /nfs/dbraw/zinc/41/74/71/669417471.db2.gz NYWJMYFCOVPASW-JQWIXIFHSA-N -1 1 366.447 0.181 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)n1 ZINC000806695482 669433025 /nfs/dbraw/zinc/43/30/25/669433025.db2.gz QOBQECFXHMJHJK-SNVBAGLBSA-N -1 1 371.325 0.618 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)[n-]1 ZINC000806695482 669433029 /nfs/dbraw/zinc/43/30/29/669433029.db2.gz QOBQECFXHMJHJK-SNVBAGLBSA-N -1 1 371.325 0.618 10 0 FCAEMM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707706 669509749 /nfs/dbraw/zinc/50/97/49/669509749.db2.gz YFKFVBJELWNPGT-JXUBOQSCSA-N -1 1 373.397 0.228 10 0 FCAEMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707362 669509863 /nfs/dbraw/zinc/50/98/63/669509863.db2.gz BQKCPEKATUTZEZ-VLEAKVRGSA-N -1 1 372.409 0.971 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)Nc3nn[n-]n3)=NO2)C1 ZINC000828074922 669614504 /nfs/dbraw/zinc/61/45/04/669614504.db2.gz ZRWFDRRHTFITML-CQSZACIVSA-N -1 1 351.367 0.684 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088203 669662762 /nfs/dbraw/zinc/66/27/62/669662762.db2.gz HFKZSBISRZPDGD-AXFHLTTASA-N -1 1 358.382 0.884 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccccc2S(C)(=O)=O)o1 ZINC000810933849 669720852 /nfs/dbraw/zinc/72/08/52/669720852.db2.gz LBNXBZPCVKNHSS-UHFFFAOYSA-N -1 1 373.408 0.948 10 0 FCAEMM O=c1cc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c2ccc([O-])cc2o1 ZINC000830026413 669744889 /nfs/dbraw/zinc/74/48/89/669744889.db2.gz HNVPKOJYHUTASY-QGZVFWFLSA-N -1 1 365.407 0.888 10 0 FCAEMM CN1CC[C@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)S1(=O)=O ZINC000830177723 669764417 /nfs/dbraw/zinc/76/44/17/669764417.db2.gz POCQEFYJAGZSCJ-CYBMUJFWSA-N -1 1 353.352 0.576 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CCCN1c1cccnc1 ZINC000831086973 669827238 /nfs/dbraw/zinc/82/72/38/669827238.db2.gz VAHRCJXXZQPHCC-JTQLQIEISA-N -1 1 355.807 0.932 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813634641 669845721 /nfs/dbraw/zinc/84/57/21/669845721.db2.gz CCMOYFDIIZDUND-NAKRPEOUSA-N -1 1 364.368 0.834 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813634638 669845812 /nfs/dbraw/zinc/84/58/12/669845812.db2.gz CABHKIPOEKVZAM-GUDRVLHUSA-N -1 1 368.352 0.605 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2nncn2C2CC2)c1C(F)(F)F ZINC000867210518 670075650 /nfs/dbraw/zinc/07/56/50/670075650.db2.gz YAIMZJJEXIRZND-UHFFFAOYSA-N -1 1 350.326 0.844 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCC2(O)CCOCC2)c1C(F)(F)F ZINC000867259452 670547283 /nfs/dbraw/zinc/54/72/83/670547283.db2.gz MFNUXSIDQUQGAC-UHFFFAOYSA-N -1 1 357.354 0.649 10 0 FCAEMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2coc(C(=O)N(C)C)c2C)n1 ZINC000842584702 670700741 /nfs/dbraw/zinc/70/07/41/670700741.db2.gz IJNHELHVHUVFJW-UHFFFAOYSA-N -1 1 369.403 0.702 10 0 FCAEMM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)on1 ZINC000843013410 670765975 /nfs/dbraw/zinc/76/59/75/670765975.db2.gz HXJGRPXGSLXRLF-UHFFFAOYSA-N -1 1 359.404 0.395 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2c3n(c(=O)n2C)CCCC3)CCC1 ZINC000843013577 670766074 /nfs/dbraw/zinc/76/60/74/670766074.db2.gz GECWMJJLZSPDEE-UHFFFAOYSA-N -1 1 370.475 0.067 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3ncncc3C2)CCC1 ZINC000843013196 670766091 /nfs/dbraw/zinc/76/60/91/670766091.db2.gz BSDMOVHYQDTALX-LBPRGKRZSA-N -1 1 352.460 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(-c3ccccc3)n2)CCC1 ZINC000843017318 670767410 /nfs/dbraw/zinc/76/74/10/670767410.db2.gz AHGMBVHLUIPPKQ-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CCC1 ZINC000843018127 670768100 /nfs/dbraw/zinc/76/81/00/670768100.db2.gz GVLGGQHKEJXOLH-ZDUSSCGKSA-N -1 1 373.519 0.954 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000843019210 670768553 /nfs/dbraw/zinc/76/85/53/670768553.db2.gz LRJCVEQKTPMAKK-UHFFFAOYSA-N -1 1 374.484 0.634 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1ccc(Cl)nc1F ZINC000867328407 670834826 /nfs/dbraw/zinc/83/48/26/670834826.db2.gz WJJHOCPRABKRFY-JTQLQIEISA-N -1 1 351.831 0.999 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H](O)C(F)F ZINC000867331052 670846680 /nfs/dbraw/zinc/84/66/80/670846680.db2.gz OCGHAQMZOZOORV-CAHLUQPWSA-N -1 1 362.196 0.866 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)c1C(F)(F)F ZINC000867355242 670921245 /nfs/dbraw/zinc/92/12/45/670921245.db2.gz VKCRJDYMUJURTR-AOOOYVTPSA-N -1 1 368.381 0.580 10 0 FCAEMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000845975394 671059968 /nfs/dbraw/zinc/05/99/68/671059968.db2.gz IJPIWADRQYPLKG-SSDOTTSWSA-N -1 1 372.216 0.671 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c(Br)n1C ZINC000845985818 671061708 /nfs/dbraw/zinc/06/17/08/671061708.db2.gz LBKBZSDKKCHTTI-KNVOCYPGSA-N -1 1 351.226 0.033 10 0 FCAEMM CON(C)C(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867421090 671109859 /nfs/dbraw/zinc/10/98/59/671109859.db2.gz ODWJSQUYSIDFOU-UHFFFAOYSA-N -1 1 358.239 0.345 10 0 FCAEMM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2ncccc2Br)cn1 ZINC000849377281 671331354 /nfs/dbraw/zinc/33/13/54/671331354.db2.gz DSFJBXOTDUZNMF-SNVBAGLBSA-N -1 1 361.221 0.590 10 0 FCAEMM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000849424459 671341769 /nfs/dbraw/zinc/34/17/69/671341769.db2.gz ZQQMACZOHQRHEK-GMTAPVOTSA-N -1 1 351.856 0.918 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(=O)[nH]c1=O ZINC000849470240 671350715 /nfs/dbraw/zinc/35/07/15/671350715.db2.gz WMTFOCOWRMHEIR-NSHDSACASA-N -1 1 372.447 0.086 10 0 FCAEMM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CCCCc3cn[nH]n3)ccc21 ZINC000851175402 671431702 /nfs/dbraw/zinc/43/17/02/671431702.db2.gz QZQHTNHPVUAKGY-UHFFFAOYSA-N -1 1 363.403 0.304 10 0 FCAEMM CN(C)c1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852732322 671519945 /nfs/dbraw/zinc/51/99/45/671519945.db2.gz AUPPHCBMOWZEHN-IONNQARKSA-N -1 1 365.312 0.232 10 0 FCAEMM C[C@@H]1CN(CC[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CCO1 ZINC000852734413 671520727 /nfs/dbraw/zinc/52/07/27/671520727.db2.gz AXEJJOYXMQMMLK-IJLUTSLNSA-N -1 1 367.368 0.303 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccon1 ZINC000852737414 671522090 /nfs/dbraw/zinc/52/20/90/671522090.db2.gz SJOMYCLZXFBUSA-XVKPBYJWSA-N -1 1 364.280 0.209 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccon1 ZINC000852737410 671522171 /nfs/dbraw/zinc/52/21/71/671522171.db2.gz SJOMYCLZXFBUSA-OIBJUYFYSA-N -1 1 364.280 0.209 10 0 FCAEMM C[C@H](COc1c(F)cccc1F)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000855633541 671656742 /nfs/dbraw/zinc/65/67/42/671656742.db2.gz SAUNIVWSHJIYLR-SNVBAGLBSA-N -1 1 353.325 0.789 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415343 671687191 /nfs/dbraw/zinc/68/71/91/671687191.db2.gz JHPUCBGADHEOPP-ZJUUUORDSA-N -1 1 360.336 0.942 10 0 FCAEMM CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856419397 671688023 /nfs/dbraw/zinc/68/80/23/671688023.db2.gz MGXKLPLLAKTXAI-MIMYLULJSA-N -1 1 367.393 0.823 10 0 FCAEMM C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000858771093 671775915 /nfs/dbraw/zinc/77/59/15/671775915.db2.gz SIPMXNSPKWPPQU-KYXWUPHJSA-N -1 1 350.341 0.349 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000116405374 671781434 /nfs/dbraw/zinc/78/14/34/671781434.db2.gz IFGLVOADZAPFKI-VIFPVBQESA-N -1 1 356.325 0.906 10 0 FCAEMM O=S(=O)([N-]C[C@]1(O)CCOC1)c1ccc(Br)nc1F ZINC000859080183 671792152 /nfs/dbraw/zinc/79/21/52/671792152.db2.gz YBYTYDNDFGRYKF-SNVBAGLBSA-N -1 1 355.185 0.413 10 0 FCAEMM COC[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859080663 671792257 /nfs/dbraw/zinc/79/22/57/671792257.db2.gz CDZDFZXIRCZEFO-ZETCQYMHSA-N -1 1 357.201 0.659 10 0 FCAEMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859138918 671795891 /nfs/dbraw/zinc/79/58/91/671795891.db2.gz OSUORKGRLBTBPX-RDDDGLTNSA-N -1 1 369.212 0.801 10 0 FCAEMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859148031 671796491 /nfs/dbraw/zinc/79/64/91/671796491.db2.gz OALFQXAETSENCO-IMTBSYHQSA-N -1 1 366.212 0.786 10 0 FCAEMM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1ccc(Br)nc1F ZINC000859207158 671800801 /nfs/dbraw/zinc/80/08/01/671800801.db2.gz UFKQGFWBBRFALY-NSHDSACASA-N -1 1 369.212 0.803 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000859341069 671817503 /nfs/dbraw/zinc/81/75/03/671817503.db2.gz AYVNMMRCVQZVOG-BDAKNGLRSA-N -1 1 351.812 0.700 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000860350119 671882035 /nfs/dbraw/zinc/88/20/35/671882035.db2.gz WDURZVIIFAWPHP-RWCYGVJQSA-N -1 1 351.388 0.616 10 0 FCAEMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866557648 672282321 /nfs/dbraw/zinc/28/23/21/672282321.db2.gz PVQKQSGJTBOWMH-QMMMGPOBSA-N -1 1 354.354 0.728 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1nc(C2CC2)no1 ZINC000866723545 672292703 /nfs/dbraw/zinc/29/27/03/672292703.db2.gz FJUWUMPDQHWAHG-STQMWFEESA-N -1 1 358.464 0.894 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(N2CCCC2)CCOCC1 ZINC000866739456 672295235 /nfs/dbraw/zinc/29/52/35/672295235.db2.gz FZZBUOUEKZQBGD-OAQYLSRUSA-N -1 1 353.510 0.584 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1CCC(OC)CC1 ZINC000866752474 672298273 /nfs/dbraw/zinc/29/82/73/672298273.db2.gz PWGUHMOFLISXIX-NRFANRHFSA-N -1 1 355.526 0.828 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000866833594 672315826 /nfs/dbraw/zinc/31/58/26/672315826.db2.gz OVMKTCCYGSKSSN-LAJNKCICSA-N -1 1 352.453 0.929 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCN1C[C@@H]2CCCCN2C1=O ZINC000867529084 672332008 /nfs/dbraw/zinc/33/20/08/672332008.db2.gz HIOGVHRJAPUYDB-MQJDWESPSA-N -1 1 352.482 0.229 10 0 FCAEMM CN(CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)CC(F)F ZINC000867569104 672339415 /nfs/dbraw/zinc/33/94/15/672339415.db2.gz URZHDALJONEVJX-UHFFFAOYSA-N -1 1 350.313 0.914 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)COCCN12 ZINC000867750049 672363110 /nfs/dbraw/zinc/36/31/10/672363110.db2.gz SSDJXULXLRURDM-CYBMUJFWSA-N -1 1 366.317 0.603 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000867774232 672366114 /nfs/dbraw/zinc/36/61/14/672366114.db2.gz PLJLMUWUKDUUOV-GMSGAONNSA-N -1 1 352.771 0.731 10 0 FCAEMM O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000868009630 672383114 /nfs/dbraw/zinc/38/31/14/672383114.db2.gz BTCCPENISDOREQ-HRDYMLBCSA-N -1 1 351.281 0.828 10 0 FCAEMM COCC[C@H](COC)NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868627430 672405841 /nfs/dbraw/zinc/40/58/41/672405841.db2.gz UUQZHAKCJINVLX-MFKMUULPSA-N -1 1 355.357 0.890 10 0 FCAEMM O=C([C@@H]1CCS(=O)(=O)N1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163339 672474751 /nfs/dbraw/zinc/47/47/51/672474751.db2.gz AGBIKMVIFONWEK-ZDUSSCGKSA-N -1 1 373.862 0.382 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2cnn3c2CCCC3)CCC1 ZINC000870445977 672492388 /nfs/dbraw/zinc/49/23/88/672492388.db2.gz ATYCNLYUMBMTTR-UHFFFAOYSA-N -1 1 354.476 0.692 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000926679096 673839588 /nfs/dbraw/zinc/83/95/88/673839588.db2.gz WPPUKWINMBPVCU-NJBDSQKTSA-N -1 1 365.352 0.643 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000927962171 673894581 /nfs/dbraw/zinc/89/45/81/673894581.db2.gz WRUVVPWGYROKQX-BXUZGUMPSA-N -1 1 353.394 0.772 10 0 FCAEMM Cc1c(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)cnn1C ZINC000930107107 673998555 /nfs/dbraw/zinc/99/85/55/673998555.db2.gz VRHQBCSNWPDFTE-UHFFFAOYSA-N -1 1 352.341 0.687 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](C)C ZINC000902066001 675825014 /nfs/dbraw/zinc/82/50/14/675825014.db2.gz OKTTUIDATSNWMI-OPRDCNLKSA-N -1 1 353.341 0.449 10 0 FCAEMM CC[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001746144728 1192212589 /nfs/dbraw/zinc/21/25/89/1192212589.db2.gz KWJIVDFQNWWVFU-PZROIBLQSA-N -1 1 360.414 0.721 10 0 FCAEMM CS(=O)(=O)NC1CC(NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001625844231 1168365259 /nfs/dbraw/zinc/36/52/59/1168365259.db2.gz WFHJZSZNXXRNDJ-UHFFFAOYSA-N -1 1 353.375 0.890 10 0 FCAEMM CC(C)C(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001719608529 1170073504 /nfs/dbraw/zinc/07/35/04/1170073504.db2.gz YIUCZBVKBMZDKT-OLZOCXBDSA-N -1 1 362.430 0.621 10 0 FCAEMM COC1(OC)CC2(CN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C(C)C)C1 ZINC000898355749 1192868343 /nfs/dbraw/zinc/86/83/43/1192868343.db2.gz YFGZEYFOMOWXRL-CQSZACIVSA-N -1 1 365.430 0.563 10 0 FCAEMM C[C@]12CN(C(=O)CCCC(N)=O)C[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001719687445 1179388962 /nfs/dbraw/zinc/38/89/62/1179388962.db2.gz NHMYTQBFYNJINT-KPZWWZAWSA-N -1 1 360.414 0.363 10 0 FCAEMM CN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1c1ccccc1 ZINC000759952344 1186352248 /nfs/dbraw/zinc/35/22/48/1186352248.db2.gz HIBSBKBIYSROPQ-HOCLYGCPSA-N -1 1 352.398 0.633 10 0 FCAEMM CN1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1c1ccccc1 ZINC000759952332 1186352821 /nfs/dbraw/zinc/35/28/21/1186352821.db2.gz HIBSBKBIYSROPQ-GDBMZVCRSA-N -1 1 352.398 0.633 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@@H](C2OCCO2)C1 ZINC001687390756 1188352100 /nfs/dbraw/zinc/35/21/00/1188352100.db2.gz JGACOLRHBVVVLW-SNVBAGLBSA-N -1 1 350.375 0.159 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC001687390775 1188352254 /nfs/dbraw/zinc/35/22/54/1188352254.db2.gz JUEMXJWEUFKVDG-WBMJQRKESA-N -1 1 362.430 0.851 10 0 FCAEMM COC(=O)CC1CC(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687391121 1188352347 /nfs/dbraw/zinc/35/23/47/1188352347.db2.gz SQGZCCVNJCCHRD-UHFFFAOYSA-N -1 1 350.375 0.396 10 0 FCAEMM C[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@H]1CCO ZINC001687391337 1188352811 /nfs/dbraw/zinc/35/28/11/1188352811.db2.gz ZDDXLXOIRLQGGP-FZMZJTMJSA-N -1 1 350.419 0.947 10 0 FCAEMM Cc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)cc(C)c1OCC(=O)[O-] ZINC000910687692 1195833688 /nfs/dbraw/zinc/83/36/88/1195833688.db2.gz MEXISHQATMFEKI-INIZCTEOSA-N -1 1 361.442 0.887 10 0 FCAEMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)O1 ZINC000911420540 1195952185 /nfs/dbraw/zinc/95/21/85/1195952185.db2.gz CMOLXKQPTMHDTM-LTIDMASMSA-N -1 1 362.426 0.618 10 0 FCAEMM C[C@]1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCCN1C(=O)c1ccccc1 ZINC000735047832 1197829702 /nfs/dbraw/zinc/82/97/02/1197829702.db2.gz FEYFVXUJVMWNOK-RDTXWAMCSA-N -1 1 370.413 0.795 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cccc(OC)n2)c1 ZINC000461451163 1198005413 /nfs/dbraw/zinc/00/54/13/1198005413.db2.gz CLABGJBAKTXICM-UHFFFAOYSA-N -1 1 351.384 0.885 10 0 FCAEMM O=C(NCC1(O)CCC2(CC1)OCCO2)c1nc2ccccc2c(=O)[n-]1 ZINC000745996950 1198956362 /nfs/dbraw/zinc/95/63/62/1198956362.db2.gz FAGOFRBGMZOJKA-UHFFFAOYSA-N -1 1 359.382 0.701 10 0 FCAEMM Cc1nccc(N2CCN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)n1 ZINC000791091412 1201127431 /nfs/dbraw/zinc/12/74/31/1201127431.db2.gz FQKFOPBAQMWXTP-UHFFFAOYSA-N -1 1 352.402 0.794 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)ccnc1-2 ZINC000806480698 1202744772 /nfs/dbraw/zinc/74/47/72/1202744772.db2.gz UBUDWHQPOXQISW-LBPRGKRZSA-N -1 1 370.388 0.947 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)ccnc1-2 ZINC000806888226 1202788258 /nfs/dbraw/zinc/78/82/58/1202788258.db2.gz XNDUPASXEJLIER-ZDUSSCGKSA-N -1 1 353.382 0.000 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@H](Cc4ccncc4)C3)ccnc1-2 ZINC000806966459 1202796614 /nfs/dbraw/zinc/79/66/14/1202796614.db2.gz HLRRTFJSSVLMBJ-CQSZACIVSA-N -1 1 364.409 0.767 10 0 FCAEMM Cc1nnc(CN2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)[nH]1 ZINC000747393563 1202823343 /nfs/dbraw/zinc/82/33/43/1202823343.db2.gz SKOVRXHBJCELTB-UHFFFAOYSA-N -1 1 359.434 0.999 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(CNC(C)=O)c3)nc2n1 ZINC001131556112 1202914007 /nfs/dbraw/zinc/91/40/07/1202914007.db2.gz MLBQEARINHTVBZ-UHFFFAOYSA-N -1 1 354.370 0.868 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)COCc3ccc(OC)nc3)nc2n1 ZINC001131555933 1202914082 /nfs/dbraw/zinc/91/40/82/1202914082.db2.gz DLZSVODSGXNTQE-UHFFFAOYSA-N -1 1 358.358 0.539 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)Cn3ncc(=O)c4ccccc43)nc2n1 ZINC001131556292 1202914087 /nfs/dbraw/zinc/91/40/87/1202914087.db2.gz UEWNDJHBOPBXPI-UHFFFAOYSA-N -1 1 365.353 0.329 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000822332498 1203227232 /nfs/dbraw/zinc/22/72/32/1203227232.db2.gz MFWYEEWEKUUMMP-ACJLOTCBSA-N -1 1 372.381 0.618 10 0 FCAEMM C[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000843939478 1203326425 /nfs/dbraw/zinc/32/64/25/1203326425.db2.gz WLIQNKAUKRXPSX-QWHCGFSZSA-N -1 1 365.430 0.753 10 0 FCAEMM COCCN(C(=O)OC(C)(C)C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000844354936 1204400072 /nfs/dbraw/zinc/40/00/72/1204400072.db2.gz WQSAOULXDSOBTC-UHFFFAOYSA-N -1 1 369.466 0.956 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](Cc1ccccc1)c1ncon1 ZINC001143965164 1204404648 /nfs/dbraw/zinc/40/46/48/1204404648.db2.gz GPLXNIMLJJKDHF-ZDUSSCGKSA-N -1 1 355.354 0.410 10 0 FCAEMM NC(=O)Cc1cccc2c1CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001171235989 1204642756 /nfs/dbraw/zinc/64/27/56/1204642756.db2.gz KOJOXLOCJXPICJ-UHFFFAOYSA-N -1 1 368.393 0.130 10 0 FCAEMM O=C(CCCN1C(=O)CCC1=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001146996087 1204752313 /nfs/dbraw/zinc/75/23/13/1204752313.db2.gz QAAVPUFUHCRKPH-UHFFFAOYSA-N -1 1 358.358 0.646 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC001175345428 1206303710 /nfs/dbraw/zinc/30/37/10/1206303710.db2.gz PICDMSLOQYUMRC-CXAGYDPISA-N -1 1 373.413 0.100 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[n-]c1=O ZINC001178686533 1206362501 /nfs/dbraw/zinc/36/25/01/1206362501.db2.gz GKXXWMMPCKDSCW-JTQLQIEISA-N -1 1 362.390 0.484 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C2CCC1(C(N)=O)CC2 ZINC001179565458 1206381334 /nfs/dbraw/zinc/38/13/34/1206381334.db2.gz ZJQOWCBGYJNIFP-UHFFFAOYSA-N -1 1 367.409 0.692 10 0 FCAEMM COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1nn[n-]n1 ZINC001180266587 1206391618 /nfs/dbraw/zinc/39/16/18/1206391618.db2.gz XWOINHYAEFDYCB-LBPRGKRZSA-N -1 1 368.438 0.617 10 0 FCAEMM O=C(CN(C(=O)c1ccccc1)c1ccccc1)NN1CC(=O)[N-]C1=O ZINC001182302419 1206426609 /nfs/dbraw/zinc/42/66/09/1206426609.db2.gz BYFKUPMOHUZVNZ-UHFFFAOYSA-N -1 1 352.350 0.916 10 0 FCAEMM CCO[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)C(C)C ZINC001489576641 1208956193 /nfs/dbraw/zinc/95/61/93/1208956193.db2.gz LZKZAUDIDOEERW-OSAQELSMSA-N -1 1 351.403 0.150 10 0 FCAEMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CCOCC1)c1cnn[nH]1 ZINC001489699106 1209093407 /nfs/dbraw/zinc/09/34/07/1209093407.db2.gz PTCQIFNQDKLIMR-VXGBXAGGSA-N -1 1 353.398 0.728 10 0 FCAEMM COC[C@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001489960056 1209182183 /nfs/dbraw/zinc/18/21/83/1209182183.db2.gz HBQNBFALBBAYQU-IPYPFGDCSA-N -1 1 365.430 0.806 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001489990686 1209198791 /nfs/dbraw/zinc/19/87/91/1209198791.db2.gz WGHVMWFSSPNMCG-NWDGAFQWSA-N -1 1 361.402 0.044 10 0 FCAEMM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001490386363 1209331023 /nfs/dbraw/zinc/33/10/23/1209331023.db2.gz QNIZHUDBTDDUPI-CHWSQXEVSA-N -1 1 359.434 0.518 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1c[nH]cn1 ZINC001490465922 1209354955 /nfs/dbraw/zinc/35/49/55/1209354955.db2.gz OWKFDXUAAQRQDP-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM COCC1(C2CCC2)CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000850615852 1209467107 /nfs/dbraw/zinc/46/71/07/1209467107.db2.gz XPDUARDRKXJKOM-UHFFFAOYSA-N -1 1 357.414 0.555 10 0 FCAEMM C[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@](C)(C(F)F)O1 ZINC000854000403 1209612633 /nfs/dbraw/zinc/61/26/33/1209612633.db2.gz WDKLYVKGRFQPBU-FVMDXXJSSA-N -1 1 367.356 0.551 10 0 FCAEMM O=C([N-]OCCN1CCCC1=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000856038976 1209692470 /nfs/dbraw/zinc/69/24/70/1209692470.db2.gz OKWHEXLJFFNSME-NSHDSACASA-N -1 1 367.352 0.988 10 0 FCAEMM C[C@H](C(=O)Nc1ccncc1[O-])N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860463162 1209849891 /nfs/dbraw/zinc/84/98/91/1209849891.db2.gz OTGHHVJZXLZJGL-LLVKDONJSA-N -1 1 364.402 0.615 10 0 FCAEMM CCC[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001137206535 1210727292 /nfs/dbraw/zinc/72/72/92/1210727292.db2.gz WCVZLZHLTIXRAR-MJVIPROJSA-N -1 1 373.335 0.968 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCN(c2nccnn2)CC1 ZINC000927783720 1211581268 /nfs/dbraw/zinc/58/12/68/1211581268.db2.gz CUVJRFGTBHOKHS-UHFFFAOYSA-N -1 1 364.356 0.930 10 0 FCAEMM COCCNC(=O)CN1CCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929094322 1211616293 /nfs/dbraw/zinc/61/62/93/1211616293.db2.gz NJTMIXBAZYIDPF-HNNXBMFYSA-N -1 1 363.458 0.591 10 0 FCAEMM C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929728069 1211657204 /nfs/dbraw/zinc/65/72/04/1211657204.db2.gz RTEUBGIILIQOMK-JTQLQIEISA-N -1 1 369.368 0.456 10 0 FCAEMM O=C(C=CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)Nc1ccc2n[nH]cc2c1 ZINC000778932782 1211939031 /nfs/dbraw/zinc/93/90/31/1211939031.db2.gz CSZRKAIBTQUYIQ-ISALQUGTSA-N -1 1 366.385 0.977 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)COc3ccc4ccc(=O)oc4c3)nc2n1 ZINC000726376513 1219646059 /nfs/dbraw/zinc/64/60/59/1219646059.db2.gz KHXSGWMHICDQPI-UHFFFAOYSA-N -1 1 367.321 0.850 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000784790504 1221259292 /nfs/dbraw/zinc/25/92/92/1221259292.db2.gz KLDRRJORJCPOGW-UHFFFAOYSA-N -1 1 364.369 0.215 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000798069560 1221278897 /nfs/dbraw/zinc/27/88/97/1221278897.db2.gz CFYDNSURMLVEJK-KGLIPLIRSA-N -1 1 362.430 0.224 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@@H]3C)CC2)n1 ZINC001117059248 1221449742 /nfs/dbraw/zinc/44/97/42/1221449742.db2.gz BJFUUTJQSRQDSJ-JQWIXIFHSA-N -1 1 363.418 0.460 10 0 FCAEMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)C1 ZINC001119654437 1221945957 /nfs/dbraw/zinc/94/59/57/1221945957.db2.gz WXVZWHGHUXVOAS-RDJZCZTQSA-N -1 1 368.474 0.857 10 0 FCAEMM C[C@@H](N1CCN(c2nnc(-c3nnn[n-]3)n2CC2CC2)CC1)C(F)(F)F ZINC001123689295 1222350637 /nfs/dbraw/zinc/35/06/37/1222350637.db2.gz FFNAZQLVIABVFB-SECBINFHSA-N -1 1 371.371 0.941 10 0 FCAEMM C[C@@H](N1CCN(c2nnc(-c3nn[n-]n3)n2CC2CC2)CC1)C(F)(F)F ZINC001123689295 1222350641 /nfs/dbraw/zinc/35/06/41/1222350641.db2.gz FFNAZQLVIABVFB-SECBINFHSA-N -1 1 371.371 0.941 10 0 FCAEMM COC1(c2nccn2C)CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC001123966654 1222369723 /nfs/dbraw/zinc/36/97/23/1222369723.db2.gz AJIASYMIWLFQQX-UHFFFAOYSA-N -1 1 370.413 0.712 10 0 FCAEMM O=C(CN1CCN(C(=O)CCc2nn[n-]n2)CC1)Nc1ccccc1F ZINC001138028756 1222470976 /nfs/dbraw/zinc/47/09/76/1222470976.db2.gz TVUNTKUIJUSPHK-UHFFFAOYSA-N -1 1 361.381 0.054 10 0 FCAEMM O=C(Cn1nnnc1-c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001138803301 1222525700 /nfs/dbraw/zinc/52/57/00/1222525700.db2.gz AAISVZNFWXFQKY-LBPRGKRZSA-N -1 1 355.358 0.835 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)ccnc1-2 ZINC000835656544 1222608269 /nfs/dbraw/zinc/60/82/69/1222608269.db2.gz GGHKINVMZRPERB-XOMVMTSMSA-N -1 1 351.410 0.951 10 0 FCAEMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001141402794 1222668983 /nfs/dbraw/zinc/66/89/83/1222668983.db2.gz ACHVGXAHBTVCLE-GFCCVEGCSA-N -1 1 368.434 0.736 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000843257245 1222866819 /nfs/dbraw/zinc/86/68/19/1222866819.db2.gz MGWGQQUGHWPVFG-AAEUAGOBSA-N -1 1 371.397 0.657 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000843257245 1222866821 /nfs/dbraw/zinc/86/68/21/1222866821.db2.gz MGWGQQUGHWPVFG-AAEUAGOBSA-N -1 1 371.397 0.657 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)n[n-]1 ZINC001166125616 1223267905 /nfs/dbraw/zinc/26/79/05/1223267905.db2.gz BBCGDDCIWZHTOD-VIFPVBQESA-N -1 1 361.358 0.583 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)[n-]1 ZINC001166125616 1223267909 /nfs/dbraw/zinc/26/79/09/1223267909.db2.gz BBCGDDCIWZHTOD-VIFPVBQESA-N -1 1 361.358 0.583 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)n1 ZINC001166125616 1223267912 /nfs/dbraw/zinc/26/79/12/1223267912.db2.gz BBCGDDCIWZHTOD-VIFPVBQESA-N -1 1 361.358 0.583 10 0 FCAEMM COc1ccnc(N2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)n1 ZINC000773884456 1245307567 /nfs/dbraw/zinc/30/75/67/1245307567.db2.gz OHNFGBZHBIFROW-UHFFFAOYSA-N -1 1 371.426 0.779 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CCc2cnn(C)n2)n[n-]1 ZINC000846642080 1245329519 /nfs/dbraw/zinc/32/95/19/1245329519.db2.gz BAXYWDFHVGTMOB-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CCc2cnn(C)n2)[n-]1 ZINC000846642080 1245329522 /nfs/dbraw/zinc/32/95/22/1245329522.db2.gz BAXYWDFHVGTMOB-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CCc2cnn(C)n2)n1 ZINC000846642080 1245329526 /nfs/dbraw/zinc/32/95/26/1245329526.db2.gz BAXYWDFHVGTMOB-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)cc1F ZINC001515983790 1265531430 /nfs/dbraw/zinc/53/14/30/1265531430.db2.gz HFHQIXVVSVWJBL-UHFFFAOYSA-N -1 1 371.380 0.405 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)cc1F ZINC001515983790 1265531434 /nfs/dbraw/zinc/53/14/34/1265531434.db2.gz HFHQIXVVSVWJBL-UHFFFAOYSA-N -1 1 371.380 0.405 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)CN1CCC(CO)CC1)Cc1cccc(F)c1 ZINC001517348512 1265594138 /nfs/dbraw/zinc/59/41/38/1265594138.db2.gz AKAKTCJOQALINT-OAHLLOKOSA-N -1 1 352.406 0.890 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329122420 1265697235 /nfs/dbraw/zinc/69/72/35/1265697235.db2.gz YSLTVKAOYMCZHI-GBIGGCNCSA-N -1 1 365.474 0.837 10 0 FCAEMM CCCC(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001519651790 1265744264 /nfs/dbraw/zinc/74/42/64/1265744264.db2.gz JUMGLQXHBWXIFP-VHSXEESVSA-N -1 1 352.391 0.806 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)nc2C1 ZINC001168692584 1259390290 /nfs/dbraw/zinc/39/02/90/1259390290.db2.gz DVEFTSKRKJCZBL-DOMZBBRYSA-N -1 1 353.386 0.877 10 0 FCAEMM C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001521986442 1266277014 /nfs/dbraw/zinc/27/70/14/1266277014.db2.gz GZIYTVKEPGIGGC-GRYCIOLGSA-N -1 1 363.418 0.058 10 0 FCAEMM COC(=O)[C@@](C)([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC001335531043 1259701121 /nfs/dbraw/zinc/70/11/21/1259701121.db2.gz QQEMUXOBPDDWHC-YOEHRIQHSA-N -1 1 366.439 0.758 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)Cn1cncn1 ZINC001251306295 1259743306 /nfs/dbraw/zinc/74/33/06/1259743306.db2.gz DLPVTGRLKYKDLN-LLVKDONJSA-N -1 1 353.386 0.892 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001261879555 1260207566 /nfs/dbraw/zinc/20/75/66/1260207566.db2.gz XGDPHDVPHWLWNF-OKILXGFUSA-N -1 1 362.430 0.650 10 0 FCAEMM CN1CCN(C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c2ccccc2)CC1 ZINC001332121446 1266339915 /nfs/dbraw/zinc/33/99/15/1266339915.db2.gz IBMXQZIONBAYAC-YESZJQIVSA-N -1 1 361.442 0.724 10 0 FCAEMM O=C([O-])C1(C(=O)N2CCC(O)(CN3CCOCC3)CC2)CC2(CCC2)C1 ZINC001332208445 1266356832 /nfs/dbraw/zinc/35/68/32/1266356832.db2.gz OMZPXIBUXOZXIB-UHFFFAOYSA-N -1 1 366.458 0.707 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(CO)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001279510197 1260882134 /nfs/dbraw/zinc/88/21/34/1260882134.db2.gz WVKCSQHMEWRBEE-LBTNJELSSA-N -1 1 365.478 0.234 10 0 FCAEMM CC[C@H](F)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001282145004 1261355661 /nfs/dbraw/zinc/35/56/61/1261355661.db2.gz LEXQAOUBKPGUKR-AEJSXWLSSA-N -1 1 370.381 0.659 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 ZINC001472045551 1261428947 /nfs/dbraw/zinc/42/89/47/1261428947.db2.gz OHMWMJBHEDTKGL-BXKDBHETSA-N -1 1 366.443 0.676 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001282486738 1261479971 /nfs/dbraw/zinc/47/99/71/1261479971.db2.gz PBRQXSAQPHPBIJ-FRRDWIJNSA-N -1 1 360.414 0.138 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001282536386 1261513879 /nfs/dbraw/zinc/51/38/79/1261513879.db2.gz NHQDNMQBYGCGNC-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])NC(N)=O ZINC001282729416 1261600850 /nfs/dbraw/zinc/60/08/50/1261600850.db2.gz PNGGDPALBUPKBM-QCNOEVLYSA-N -1 1 361.402 0.096 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2ccccc2=O)CCN1C(=O)c1ncccc1[O-] ZINC001345408421 1261698151 /nfs/dbraw/zinc/69/81/51/1261698151.db2.gz MVZLALWZHDNNGZ-KGLIPLIRSA-N -1 1 370.409 0.758 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001283964875 1261725062 /nfs/dbraw/zinc/72/50/62/1261725062.db2.gz SDWXHRRPHCLBTN-FBIMIBRVSA-N -1 1 364.402 0.567 10 0 FCAEMM CCCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001290871262 1262525681 /nfs/dbraw/zinc/52/56/81/1262525681.db2.gz RAKCSVWRJGJZGF-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001291598803 1262564521 /nfs/dbraw/zinc/56/45/21/1262564521.db2.gz DRIURJVJKUPRJN-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C(=O)C1CC1 ZINC001292079103 1262642010 /nfs/dbraw/zinc/64/20/10/1262642010.db2.gz NNEJRQDYGRVELN-MCIONIFRSA-N -1 1 372.425 0.517 10 0 FCAEMM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001293056863 1262708818 /nfs/dbraw/zinc/70/88/18/1262708818.db2.gz WJBQXSVTGUXSMO-ZDUSSCGKSA-N -1 1 363.466 0.114 10 0 FCAEMM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCN(C2CCOCC2)CC1 ZINC001294343695 1262732129 /nfs/dbraw/zinc/73/21/29/1262732129.db2.gz FGRJFJAVGZJXPD-UHFFFAOYSA-N -1 1 373.413 0.203 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC001294431434 1262732603 /nfs/dbraw/zinc/73/26/03/1262732603.db2.gz KAVCKHIDWPRJJQ-UHFFFAOYSA-N -1 1 371.426 0.835 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1nn[n-]n1 ZINC001296063638 1262789584 /nfs/dbraw/zinc/78/95/84/1262789584.db2.gz KHOVKYFQBOIKSS-BZNIZROVSA-N -1 1 368.438 0.788 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1nn[n-]n1 ZINC001296063640 1262789628 /nfs/dbraw/zinc/78/96/28/1262789628.db2.gz KHOVKYFQBOIKSS-MEDUHNTESA-N -1 1 368.438 0.788 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001298829354 1262944160 /nfs/dbraw/zinc/94/41/60/1262944160.db2.gz REAYSQJUGAHOPW-IVZWLZJFSA-N -1 1 366.418 0.813 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC001301412768 1263005476 /nfs/dbraw/zinc/00/54/76/1263005476.db2.gz TZJLYIHEHQAJCU-GFCCVEGCSA-N -1 1 369.299 0.784 10 0 FCAEMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001301649990 1263013784 /nfs/dbraw/zinc/01/37/84/1263013784.db2.gz NYJOAYGYNZJYNA-VNHYZAJKSA-N -1 1 366.381 0.357 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cn(C2CCOCC2)nn1 ZINC001302842695 1263061381 /nfs/dbraw/zinc/06/13/81/1263061381.db2.gz SIEURZQRUDVRMT-UHFFFAOYSA-N -1 1 360.374 0.128 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCc1nnc[nH]1 ZINC001478935229 1263155260 /nfs/dbraw/zinc/15/52/60/1263155260.db2.gz VNSICJDTJSQBDJ-UWVGGRQHSA-N -1 1 362.356 0.978 10 0 FCAEMM CC(C)[C@H](CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1ncccc1[O-] ZINC001487072270 1263587020 /nfs/dbraw/zinc/58/70/20/1263587020.db2.gz NWTQYRSWCHYWIN-AGIUHOORSA-N -1 1 362.430 0.512 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC001319812489 1263734375 /nfs/dbraw/zinc/73/43/75/1263734375.db2.gz NOCGKHYJIIFZSC-AWEZNQCLSA-N -1 1 358.450 0.551 10 0 FCAEMM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001320981412 1263891477 /nfs/dbraw/zinc/89/14/77/1263891477.db2.gz LDGRFBMZPQKPBV-ACJLOTCBSA-N -1 1 357.366 0.229 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c(=O)[n-]1 ZINC001507080036 1264349752 /nfs/dbraw/zinc/34/97/52/1264349752.db2.gz SSEIURREVHOTKM-LNSITVRQSA-N -1 1 360.418 0.620 10 0 FCAEMM C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001513178248 1264942457 /nfs/dbraw/zinc/94/24/57/1264942457.db2.gz KYZCAQPXHMAZRI-DGCLKSJQSA-N -1 1 360.414 0.280 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3cc(S(N)(=O)=O)ccc3[O-])n2C)C[C@H](C)O1 ZINC001526304913 1266797751 /nfs/dbraw/zinc/79/77/51/1266797751.db2.gz SDRQJDMJHNETTF-AOOOYVTPSA-N -1 1 367.431 0.449 10 0 FCAEMM C[C@@H]1SCCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)[C@H]1C ZINC001526305783 1266799696 /nfs/dbraw/zinc/79/96/96/1266799696.db2.gz WWEWBIVLHUQEKX-DCAQKATOSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1SCCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)[C@H]1C ZINC001526305783 1266799697 /nfs/dbraw/zinc/79/96/97/1266799697.db2.gz WWEWBIVLHUQEKX-DCAQKATOSA-N -1 1 350.452 0.825 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC12COCCN1CCOC2 ZINC001334254546 1266912411 /nfs/dbraw/zinc/91/24/11/1266912411.db2.gz WPFUMSQPIRMJJC-UHFFFAOYSA-N -1 1 354.432 0.044 10 0 FCAEMM C(C1CC1)n1c(-c2nnn[n-]2)nnc1N1CCSC2(CCOCC2)C1 ZINC001527802426 1266926522 /nfs/dbraw/zinc/92/65/22/1266926522.db2.gz ADWHTBYLNMOUDL-UHFFFAOYSA-N -1 1 362.463 0.971 10 0 FCAEMM C(C1CC1)n1c(-c2nn[n-]n2)nnc1N1CCSC2(CCOCC2)C1 ZINC001527802426 1266926529 /nfs/dbraw/zinc/92/65/29/1266926529.db2.gz ADWHTBYLNMOUDL-UHFFFAOYSA-N -1 1 362.463 0.971 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)c2cnc3n2CCOC3)C1)C(F)(F)F ZINC001334419846 1266991206 /nfs/dbraw/zinc/99/12/06/1266991206.db2.gz DCTCUXQUSBYIFH-SNVBAGLBSA-N -1 1 360.336 0.944 10 0 FCAEMM CSC[C@@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC001334963964 1267251349 /nfs/dbraw/zinc/25/13/49/1267251349.db2.gz XKGGSWMVNDOJAE-CYBMUJFWSA-N -1 1 367.475 0.449 10 0 FCAEMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc2[nH]c(CO)nc21 ZINC001540585527 1267454330 /nfs/dbraw/zinc/45/43/30/1267454330.db2.gz NJDPLTDHFNEXRD-UHFFFAOYSA-N -1 1 357.370 0.955 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1cnn(Cc2ccccn2)c1 ZINC001542714003 1267503851 /nfs/dbraw/zinc/50/38/51/1267503851.db2.gz HMRXJURRSYWGQR-UHFFFAOYSA-N -1 1 352.354 0.796 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cccnc1N1CCOCC1 ZINC001543239935 1267535777 /nfs/dbraw/zinc/53/57/77/1267535777.db2.gz MCEYRAZHCPNNHT-UHFFFAOYSA-N -1 1 361.427 0.941 10 0 FCAEMM C[C@@H]1CN(Cc2csc(NC(=O)CCc3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001545036034 1267602662 /nfs/dbraw/zinc/60/26/62/1267602662.db2.gz LZIDMQKPUZLYFN-NXEZZACHSA-N -1 1 351.436 0.837 10 0 FCAEMM CCn1ncc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1Br ZINC001556348781 1268846705 /nfs/dbraw/zinc/84/67/05/1268846705.db2.gz ZVLYBDSYMQDGCZ-UHFFFAOYSA-N -1 1 370.211 0.302 10 0 FCAEMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001556436152 1268855227 /nfs/dbraw/zinc/85/52/27/1268855227.db2.gz NHUNOYNXUGSFCE-DGCLKSJQSA-N -1 1 366.443 0.504 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)n[n-]1 ZINC001557453232 1268948874 /nfs/dbraw/zinc/94/88/74/1268948874.db2.gz IXPYPPVHEFTQLE-UWVGGRQHSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)[n-]1 ZINC001557453232 1268948877 /nfs/dbraw/zinc/94/88/77/1268948877.db2.gz IXPYPPVHEFTQLE-UWVGGRQHSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)n1 ZINC001557453232 1268948880 /nfs/dbraw/zinc/94/88/80/1268948880.db2.gz IXPYPPVHEFTQLE-UWVGGRQHSA-N -1 1 355.395 0.929 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001557457110 1268949273 /nfs/dbraw/zinc/94/92/73/1268949273.db2.gz XWXSXWDZLGUUHZ-NXEZZACHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001557457110 1268949278 /nfs/dbraw/zinc/94/92/78/1268949278.db2.gz XWXSXWDZLGUUHZ-NXEZZACHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001557457110 1268949282 /nfs/dbraw/zinc/94/92/82/1268949282.db2.gz XWXSXWDZLGUUHZ-NXEZZACHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCOC(=O)C1(CC(=O)N[C@@H](CCSC)c2nn[n-]n2)CCOCC1 ZINC001557589776 1268955526 /nfs/dbraw/zinc/95/55/26/1268955526.db2.gz VVUGOTWIJRYJGG-NSHDSACASA-N -1 1 371.463 0.860 10 0 FCAEMM CC(=O)N[C@H](CCC(C)C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558049005 1269013088 /nfs/dbraw/zinc/01/30/88/1269013088.db2.gz NLDGYAIGIRZTEJ-CQSZACIVSA-N -1 1 350.419 0.812 10 0 FCAEMM Cn1cnc(-c2ccc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)cc2)n1 ZINC001558049833 1269014267 /nfs/dbraw/zinc/01/42/67/1269014267.db2.gz WPOUBSSAGAIBOY-UHFFFAOYSA-N -1 1 366.381 0.980 10 0 FCAEMM CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(c3nn[n-]n3)CCC2)n1 ZINC001558173241 1269044616 /nfs/dbraw/zinc/04/46/16/1269044616.db2.gz IEPNVGMAYNGEHB-UHFFFAOYSA-N -1 1 356.795 0.461 10 0 FCAEMM COC[C@@H](NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nn[n-]n1 ZINC001558340042 1269068286 /nfs/dbraw/zinc/06/82/86/1269068286.db2.gz TXXBOASQRDCIKS-GZMMTYOYSA-N -1 1 366.328 0.335 10 0 FCAEMM O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001558347281 1269073427 /nfs/dbraw/zinc/07/34/27/1269073427.db2.gz VLDSBMPNMFHYMD-ZDUSSCGKSA-N -1 1 352.402 0.804 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)c2cccc(C(=O)NC)c2)o1 ZINC001558444674 1269093894 /nfs/dbraw/zinc/09/38/94/1269093894.db2.gz MTPCUBBAWQUUSZ-UHFFFAOYSA-N -1 1 351.384 0.824 10 0 FCAEMM Cn1nccc1[C@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001558516018 1269104004 /nfs/dbraw/zinc/10/40/04/1269104004.db2.gz JBBFAETZKIZVLB-LLVKDONJSA-N -1 1 370.431 0.553 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CN2CCCCS2(=O)=O)[n-]c1=O ZINC001558703072 1269132228 /nfs/dbraw/zinc/13/22/28/1269132228.db2.gz GMMWUCGETJQKNA-LLVKDONJSA-N -1 1 370.431 0.280 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2nc3ncc(C)cn3n2)[n-]c1=O ZINC001558703222 1269132663 /nfs/dbraw/zinc/13/26/63/1269132663.db2.gz KVAUUENECYLBLH-SNVBAGLBSA-N -1 1 355.358 0.914 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)c1cccc(F)c1 ZINC001558771123 1269138482 /nfs/dbraw/zinc/13/84/82/1269138482.db2.gz TWHZATOHSKYDQM-JOCHJYFZSA-N -1 1 366.436 0.765 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)n[n-]1 ZINC001558965656 1269154989 /nfs/dbraw/zinc/15/49/89/1269154989.db2.gz FDVHNQAXCBCSFY-UHFFFAOYSA-N -1 1 369.422 0.308 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)n1 ZINC001558965656 1269154991 /nfs/dbraw/zinc/15/49/91/1269154991.db2.gz FDVHNQAXCBCSFY-UHFFFAOYSA-N -1 1 369.422 0.308 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cnnn2-c2cccc(F)c2)n[n-]1 ZINC001558966158 1269156692 /nfs/dbraw/zinc/15/66/92/1269156692.db2.gz ZTMUERIOXGOQIH-UHFFFAOYSA-N -1 1 359.321 0.631 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnnn2-c2cccc(F)c2)n1 ZINC001558966158 1269156698 /nfs/dbraw/zinc/15/66/98/1269156698.db2.gz ZTMUERIOXGOQIH-UHFFFAOYSA-N -1 1 359.321 0.631 10 0 FCAEMM CCCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001341977824 1269288878 /nfs/dbraw/zinc/28/88/78/1269288878.db2.gz IBBIJFAYBSTIRX-CHWSQXEVSA-N -1 1 350.419 0.080 10 0 FCAEMM CC(=O)Nc1ccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001564668102 1269428136 /nfs/dbraw/zinc/42/81/36/1269428136.db2.gz PUQJJPOIOKOQRQ-UHFFFAOYSA-N -1 1 372.385 0.608 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC1(c2ncccn2)CCC1 ZINC001565247289 1269458859 /nfs/dbraw/zinc/45/88/59/1269458859.db2.gz FEFVSJGWWIUBON-UHFFFAOYSA-N -1 1 356.386 0.924 10 0 FCAEMM COCCCOCCN(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248197 1269459120 /nfs/dbraw/zinc/45/91/20/1269459120.db2.gz OCIUNJHGWNSQBE-UHFFFAOYSA-N -1 1 354.407 0.449 10 0 FCAEMM COC[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCOC1 ZINC001565246958 1269459265 /nfs/dbraw/zinc/45/92/65/1269459265.db2.gz ANTMHPIUNOOBPB-SMDDNHRTSA-N -1 1 366.418 0.496 10 0 FCAEMM CCO[C@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC)C(C)C ZINC001566012951 1269551044 /nfs/dbraw/zinc/55/10/44/1269551044.db2.gz VWNKULDQNLMWCV-GUTXKFCHSA-N -1 1 353.467 0.639 10 0 FCAEMM CCOCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2CC)CC1 ZINC001566016122 1269554402 /nfs/dbraw/zinc/55/44/02/1269554402.db2.gz AZEXGJYKVKIUGH-QWHCGFSZSA-N -1 1 351.451 0.394 10 0 FCAEMM O=C(NCCn1ncnn1)c1ccc(I)cc1[O-] ZINC001566305602 1269630996 /nfs/dbraw/zinc/63/09/96/1269630996.db2.gz CEQBOCRRXHQFOX-UHFFFAOYSA-N -1 1 359.127 0.413 10 0 FCAEMM COC(=O)C1CCC(NC(=O)C(=O)c2ccc([O-])cc2)(C(=O)OC)CC1 ZINC001566422700 1269642975 /nfs/dbraw/zinc/64/29/75/1269642975.db2.gz OUNGGSWXKVPNGH-UHFFFAOYSA-N -1 1 363.366 0.966 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(CO)nc3)CC2)n1 ZINC001568364574 1269730012 /nfs/dbraw/zinc/73/00/12/1269730012.db2.gz NVUGYLGFZCSAQU-UHFFFAOYSA-N -1 1 359.386 0.889 10 0 FCAEMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001570025142 1269832675 /nfs/dbraw/zinc/83/26/75/1269832675.db2.gz HVARGEQFAQVRSB-MJBXVCDLSA-N -1 1 360.414 0.280 10 0 FCAEMM CSc1nc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cc(=O)[n-]1 ZINC001570806838 1269916500 /nfs/dbraw/zinc/91/65/00/1269916500.db2.gz ZSTRHZKDGZHCGP-JGVFFNPUSA-N -1 1 364.349 0.977 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001570856914 1269919264 /nfs/dbraw/zinc/91/92/64/1269919264.db2.gz LSXCELIQOUPIJL-UWVGGRQHSA-N -1 1 363.336 0.584 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001344089443 1270092837 /nfs/dbraw/zinc/09/28/37/1270092837.db2.gz GMCIWZDQWFWGTK-LJQANCHMSA-N -1 1 367.409 0.834 10 0 FCAEMM CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C ZINC001572888388 1270299755 /nfs/dbraw/zinc/29/97/55/1270299755.db2.gz UKJKACOJLTYLLI-LERXQTSPSA-N -1 1 362.430 0.653 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC(C)C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001573257281 1270711015 /nfs/dbraw/zinc/71/10/15/1270711015.db2.gz WASMKZMBYXRQMV-UONOGXRCSA-N -1 1 364.446 0.469 10 0 FCAEMM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)n1cncn1 ZINC001573820967 1270894931 /nfs/dbraw/zinc/89/49/31/1270894931.db2.gz YEAVZUYGICJLHT-JHJVBQTASA-N -1 1 358.402 0.464 10 0 FCAEMM C[C@H](CC(N)=O)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001574026100 1271002858 /nfs/dbraw/zinc/00/28/58/1271002858.db2.gz YJWBGGLYDMEYED-JHJVBQTASA-N -1 1 362.430 0.513 10 0 FCAEMM O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001715594050 1287356488 /nfs/dbraw/zinc/35/64/88/1287356488.db2.gz OYNCQKHNXCPACB-RBSFLKMASA-N -1 1 359.430 0.661 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[n-]c1=O ZINC001603345758 1287359312 /nfs/dbraw/zinc/35/93/12/1287359312.db2.gz JYQFGYDZKBXRQT-WOPDTQHZSA-N -1 1 364.402 0.667 10 0 FCAEMM C[C@@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001716031918 1287368840 /nfs/dbraw/zinc/36/88/40/1287368840.db2.gz KIWXZNMWKWRLBB-BWQRHGBYSA-N -1 1 373.457 0.774 10 0 FCAEMM CS[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001735907068 1289015383 /nfs/dbraw/zinc/01/53/83/1289015383.db2.gz OKXLISRNHJBJFU-AXTRIDKLSA-N -1 1 366.443 0.113 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@H](NC(=O)CCCc1nn[n-]n1)CCS2 ZINC001603501132 1287393698 /nfs/dbraw/zinc/39/36/98/1287393698.db2.gz MKQHTXADOJGIII-LOIXOFCESA-N -1 1 353.448 0.856 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cn2c(C)c(C)sc2=O)n[n-]1 ZINC001584176403 1282141328 /nfs/dbraw/zinc/14/13/28/1282141328.db2.gz NDSPQNPHLWUSEH-SSDOTTSWSA-N -1 1 353.404 0.699 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cn2c(C)c(C)sc2=O)[n-]1 ZINC001584176403 1282141330 /nfs/dbraw/zinc/14/13/30/1282141330.db2.gz NDSPQNPHLWUSEH-SSDOTTSWSA-N -1 1 353.404 0.699 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cn2c(C)c(C)sc2=O)n1 ZINC001584176403 1282141332 /nfs/dbraw/zinc/14/13/32/1282141332.db2.gz NDSPQNPHLWUSEH-SSDOTTSWSA-N -1 1 353.404 0.699 10 0 FCAEMM C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001584265833 1282147317 /nfs/dbraw/zinc/14/73/17/1282147317.db2.gz JIIIXNLEUMBGSS-YNEHKIRRSA-N -1 1 364.446 0.230 10 0 FCAEMM CO[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001632232604 1282164323 /nfs/dbraw/zinc/16/43/23/1282164323.db2.gz MBWSHUGNXGISKX-BXUZGUMPSA-N -1 1 356.400 0.387 10 0 FCAEMM O=C(C[C@H]1CCNC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001632232572 1282164602 /nfs/dbraw/zinc/16/46/02/1282164602.db2.gz LDPSJKPRZWFITN-LLVKDONJSA-N -1 1 367.427 0.641 10 0 FCAEMM COc1ccc([C@@]2(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)C[C@@H](O)C2)cc1 ZINC001632775400 1282206829 /nfs/dbraw/zinc/20/68/29/1282206829.db2.gz LASCHTHGBPNJCT-JDFRZJQESA-N -1 1 359.386 0.201 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CNC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001633120535 1282230059 /nfs/dbraw/zinc/23/00/59/1282230059.db2.gz FZPXYKDRQBTZFH-UHFFFAOYSA-N -1 1 364.402 0.500 10 0 FCAEMM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001633680688 1282265813 /nfs/dbraw/zinc/26/58/13/1282265813.db2.gz XZGMQOORLSAAQT-JTQLQIEISA-N -1 1 350.452 1.000 10 0 FCAEMM O=C(CN1CCN(C(=O)c2ccc(F)c([O-])c2)CC1)Nc1nncs1 ZINC001586188047 1282280813 /nfs/dbraw/zinc/28/08/13/1282280813.db2.gz NMADEUXJDBYXSD-UHFFFAOYSA-N -1 1 365.390 0.779 10 0 FCAEMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC001586308656 1282291987 /nfs/dbraw/zinc/29/19/87/1282291987.db2.gz JIUIGVSOSSDBLB-YOGCLGLASA-N -1 1 357.370 0.959 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)o1 ZINC001634019694 1282292513 /nfs/dbraw/zinc/29/25/13/1282292513.db2.gz KDLQKUZWFNDYSV-LBPRGKRZSA-N -1 1 365.411 0.275 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CO)Cc1cncs1 ZINC001634493156 1282334793 /nfs/dbraw/zinc/33/47/93/1282334793.db2.gz UIQIMSMDKXVVOQ-NSHDSACASA-N -1 1 361.427 0.771 10 0 FCAEMM COC[C@H](NC(=O)c1cn2ccc(Br)cc2n1)c1nn[n-]n1 ZINC001634621543 1282339394 /nfs/dbraw/zinc/33/93/94/1282339394.db2.gz HRKDAHOHQAHDQA-VIFPVBQESA-N -1 1 366.179 0.727 10 0 FCAEMM COC[C@H](NC(=O)c1nccn2c(Br)cnc12)c1nn[n-]n1 ZINC001634621573 1282340156 /nfs/dbraw/zinc/34/01/56/1282340156.db2.gz IKYLMARDNANGLL-LURJTMIESA-N -1 1 367.167 0.122 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)n1 ZINC001587265542 1282345486 /nfs/dbraw/zinc/34/54/86/1282345486.db2.gz OMZDGXOIQPHENZ-UHFFFAOYSA-N -1 1 367.387 0.043 10 0 FCAEMM CON(C)S(=O)(=O)c1cc(C(=O)N(C)c2nn[n-]n2)ccc1Cl ZINC001587339615 1282348831 /nfs/dbraw/zinc/34/88/31/1282348831.db2.gz LMIOYGDJEOLVQO-UHFFFAOYSA-N -1 1 360.783 0.312 10 0 FCAEMM Cc1cc(C2(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)CCOCC2)on1 ZINC001635008707 1282372293 /nfs/dbraw/zinc/37/22/93/1282372293.db2.gz UWXXWHOTJLJEQH-UHFFFAOYSA-N -1 1 362.390 0.055 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@H](NC(=O)CCc3nn[n-]n3)C2=O)c1 ZINC001587698912 1282373141 /nfs/dbraw/zinc/37/31/41/1282373141.db2.gz PHXQRZBBLCGDLL-ZDUSSCGKSA-N -1 1 360.374 0.071 10 0 FCAEMM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001588217309 1282409159 /nfs/dbraw/zinc/40/91/59/1282409159.db2.gz FAVMSCNGNNSSQW-QWHCGFSZSA-N -1 1 354.370 0.035 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC001588227998 1282409791 /nfs/dbraw/zinc/40/97/91/1282409791.db2.gz GXOWYIYCPNXXJV-JTQLQIEISA-N -1 1 353.766 0.407 10 0 FCAEMM COc1cnc(C2(NC(=O)Cn3cc([C@@H](C)O)nn3)CCCC2)[n-]c1=O ZINC001636117219 1282461180 /nfs/dbraw/zinc/46/11/80/1282461180.db2.gz UVDJHIPWIVPXPQ-SNVBAGLBSA-N -1 1 362.390 0.421 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)o1 ZINC001636252026 1282475078 /nfs/dbraw/zinc/47/50/78/1282475078.db2.gz ABIIUSKCBBLMFA-UHFFFAOYSA-N -1 1 361.379 0.959 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001636802581 1282538741 /nfs/dbraw/zinc/53/87/41/1282538741.db2.gz TTWQXOLCEBWCGK-SECBINFHSA-N -1 1 353.379 0.440 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ncnn2)c1 ZINC001637104968 1282564141 /nfs/dbraw/zinc/56/41/41/1282564141.db2.gz JWFBBJPCWYNKIO-UHFFFAOYSA-N -1 1 354.392 0.048 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)o1 ZINC001637799437 1282625217 /nfs/dbraw/zinc/62/52/17/1282625217.db2.gz VMTILAZJFOTTBU-LLVKDONJSA-N -1 1 365.415 0.329 10 0 FCAEMM COCCCN(CCOC)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001637889683 1282632757 /nfs/dbraw/zinc/63/27/57/1282632757.db2.gz BYMQQRLXVNOAOS-UHFFFAOYSA-N -1 1 354.407 0.449 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCCN(C)C1=O ZINC001637891481 1282634698 /nfs/dbraw/zinc/63/46/98/1282634698.db2.gz XIWFARJMZDOFLE-CYBMUJFWSA-N -1 1 363.418 0.407 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@]12CCOC2 ZINC001638287184 1282681720 /nfs/dbraw/zinc/68/17/20/1282681720.db2.gz WVLPUXMCHGCLSF-SFHVURJKSA-N -1 1 362.430 0.651 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)n1 ZINC001638577555 1282706270 /nfs/dbraw/zinc/70/62/70/1282706270.db2.gz DELZWFVVVDEHBP-NWDGAFQWSA-N -1 1 358.354 0.902 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCc2nn[n-]n2)CCCO1 ZINC001638648680 1282712885 /nfs/dbraw/zinc/71/28/85/1282712885.db2.gz RYRBIDDDXCWOPM-LLVKDONJSA-N -1 1 354.411 0.275 10 0 FCAEMM CNC(=O)[C@@H](CNC(=O)CCCc1nn[n-]n1)Cc1ccc(F)cc1C ZINC001638952541 1282736043 /nfs/dbraw/zinc/73/60/43/1282736043.db2.gz NTMOCZWZXXQIFW-CYBMUJFWSA-N -1 1 362.409 0.691 10 0 FCAEMM O=C(Cc1ccc(-n2ccnc2)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001639432053 1282787147 /nfs/dbraw/zinc/78/71/47/1282787147.db2.gz HLGJAVYZDJOURT-UHFFFAOYSA-N -1 1 353.386 0.438 10 0 FCAEMM Cc1noc(C[C@@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001639628635 1282798683 /nfs/dbraw/zinc/79/86/83/1282798683.db2.gz HJLIMJLLUSZDJY-LBPRGKRZSA-N -1 1 359.386 0.690 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)Cn2nc3ccccn3c2=O)[n-]c1=O ZINC001640132182 1282841508 /nfs/dbraw/zinc/84/15/08/1282841508.db2.gz IEGLAOLUAUXAGX-NSHDSACASA-N -1 1 370.369 0.364 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)n[n-]1 ZINC001640225252 1282847391 /nfs/dbraw/zinc/84/73/91/1282847391.db2.gz IWQSCEXGVYIQNV-SECBINFHSA-N -1 1 363.349 0.614 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)[n-]1 ZINC001640225252 1282847397 /nfs/dbraw/zinc/84/73/97/1282847397.db2.gz IWQSCEXGVYIQNV-SECBINFHSA-N -1 1 363.349 0.614 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC001640225252 1282847410 /nfs/dbraw/zinc/84/74/10/1282847410.db2.gz IWQSCEXGVYIQNV-SECBINFHSA-N -1 1 363.349 0.614 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CCCNC(=O)c2cccnc2)n[n-]1 ZINC001640225906 1282847485 /nfs/dbraw/zinc/84/74/85/1282847485.db2.gz VZPAQLQJKPZOQS-NSHDSACASA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCCNC(=O)c2cccnc2)[n-]1 ZINC001640225906 1282847493 /nfs/dbraw/zinc/84/74/93/1282847493.db2.gz VZPAQLQJKPZOQS-NSHDSACASA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCNC(=O)c2cccnc2)n1 ZINC001640225906 1282847498 /nfs/dbraw/zinc/84/74/98/1282847498.db2.gz VZPAQLQJKPZOQS-NSHDSACASA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cnn(C)c2-n2cccc2)n[n-]1 ZINC001640224851 1282847862 /nfs/dbraw/zinc/84/78/62/1282847862.db2.gz CMRWVXXFPXLOQG-SNVBAGLBSA-N -1 1 357.374 0.997 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cnn(C)c2-n2cccc2)[n-]1 ZINC001640224851 1282847873 /nfs/dbraw/zinc/84/78/73/1282847873.db2.gz CMRWVXXFPXLOQG-SNVBAGLBSA-N -1 1 357.374 0.997 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cnn(C)c2-n2cccc2)n1 ZINC001640224851 1282847885 /nfs/dbraw/zinc/84/78/85/1282847885.db2.gz CMRWVXXFPXLOQG-SNVBAGLBSA-N -1 1 357.374 0.997 10 0 FCAEMM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC001640675058 1282888367 /nfs/dbraw/zinc/88/83/67/1282888367.db2.gz KOOPUBRJQCLDMV-AWEZNQCLSA-N -1 1 356.382 0.729 10 0 FCAEMM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)cn1 ZINC001640675060 1282888902 /nfs/dbraw/zinc/88/89/02/1282888902.db2.gz KOOPUBRJQCLDMV-CQSZACIVSA-N -1 1 356.382 0.729 10 0 FCAEMM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493191 1282956212 /nfs/dbraw/zinc/95/62/12/1282956212.db2.gz GPNXJLTZRRGJCK-GFCCVEGCSA-N -1 1 357.370 0.661 10 0 FCAEMM COCCOCCc1ncc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)[nH]1 ZINC001641602103 1282965475 /nfs/dbraw/zinc/96/54/75/1282965475.db2.gz PFIXHJRVBQYRFG-HNNXBMFYSA-N -1 1 371.401 0.648 10 0 FCAEMM CC[C@@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001682825713 1283783865 /nfs/dbraw/zinc/78/38/65/1283783865.db2.gz DXFIFEHVPBQFAQ-JHJVBQTASA-N -1 1 362.430 0.526 10 0 FCAEMM CC(=O)N(C)C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001683595209 1284053206 /nfs/dbraw/zinc/05/32/06/1284053206.db2.gz VIXAVRNZZDXICU-UHFFFAOYSA-N -1 1 363.418 0.407 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001684377746 1284168484 /nfs/dbraw/zinc/16/84/84/1284168484.db2.gz QETBKWHTESJPMI-MJBXVCDLSA-N -1 1 362.430 0.717 10 0 FCAEMM CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001702388227 1285616459 /nfs/dbraw/zinc/61/64/59/1285616459.db2.gz LCCJFGLPLVZJJM-XBFCOCLRSA-N -1 1 351.403 0.150 10 0 FCAEMM C/C=C(/C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001702524376 1285698426 /nfs/dbraw/zinc/69/84/26/1285698426.db2.gz SMYDHKFYAFTWKC-RJAQEEFZSA-N -1 1 364.402 0.877 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702834527 1285926984 /nfs/dbraw/zinc/92/69/84/1285926984.db2.gz AAHQVKLUGGKJGB-NFAWXSAZSA-N -1 1 363.414 0.417 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC001593759038 1286214799 /nfs/dbraw/zinc/21/47/99/1286214799.db2.gz OUIPCDGEQCTBAB-UHFFFAOYSA-N -1 1 357.374 0.180 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NCC[C@H]3CNC(=O)C3)c(=O)c2c(OC)c1 ZINC001595060809 1286238977 /nfs/dbraw/zinc/23/89/77/1286238977.db2.gz FEGZVVGOMGHJIR-SNVBAGLBSA-N -1 1 359.382 0.801 10 0 FCAEMM COC[C@@H](NC(=O)c1cncc2nc(C(F)(F)F)n(C)c21)c1nn[n-]n1 ZINC001595889603 1286267742 /nfs/dbraw/zinc/26/77/42/1286267742.db2.gz TUYPJVWBYCPPIH-MRVPVSSYSA-N -1 1 370.295 0.618 10 0 FCAEMM COC[C@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)c1nn[n-]n1 ZINC001595889568 1286268098 /nfs/dbraw/zinc/26/80/98/1286268098.db2.gz RTHRFHDAVNPXBU-QMMMGPOBSA-N -1 1 355.280 0.984 10 0 FCAEMM COC[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1nn[n-]n1 ZINC001595889755 1286268125 /nfs/dbraw/zinc/26/81/25/1286268125.db2.gz XVQNEZAJCOCHOZ-AAEUAGOBSA-N -1 1 365.438 0.368 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001596279755 1286293571 /nfs/dbraw/zinc/29/35/71/1286293571.db2.gz HHUZYSBHIFOLJP-UHFFFAOYSA-N -1 1 356.448 0.768 10 0 FCAEMM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001597903270 1286368641 /nfs/dbraw/zinc/36/86/41/1286368641.db2.gz FHBIRVJSSROKBK-VIFPVBQESA-N -1 1 370.431 0.213 10 0 FCAEMM C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001719165020 1287818130 /nfs/dbraw/zinc/81/81/30/1287818130.db2.gz QLNJYOWLBBXAIV-MGPQQGTHSA-N -1 1 363.414 0.417 10 0 FCAEMM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001719267079 1287982079 /nfs/dbraw/zinc/98/20/79/1287982079.db2.gz BSQWCGBAABTDHT-UMNHJUIQSA-N -1 1 357.357 0.770 10 0 FCAEMM O=C(CCCn1cccc1)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001719267612 1287983002 /nfs/dbraw/zinc/98/30/02/1287983002.db2.gz WBLBDPRNXGIAQE-HIFRSBDPSA-N -1 1 358.398 0.371 10 0 FCAEMM CC(C)OCCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001719285975 1288031464 /nfs/dbraw/zinc/03/14/64/1288031464.db2.gz BSXAOVQFMSABKK-OCCSQVGLSA-N -1 1 351.403 0.294 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCF)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001719557120 1288180378 /nfs/dbraw/zinc/18/03/78/1288180378.db2.gz YLYFMSPLQVKYMK-VHSXEESVSA-N -1 1 370.381 0.755 10 0 FCAEMM CCCC[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001734849504 1288689766 /nfs/dbraw/zinc/68/97/66/1288689766.db2.gz ZTWCDWSKSZJWLD-XEZPLFJOSA-N -1 1 365.430 0.996 10 0 FCAEMM COCCOCC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001736397593 1289310634 /nfs/dbraw/zinc/31/06/34/1289310634.db2.gz CXVWOIDSSUOWOK-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(Br)nn2C)n[n-]1 ZINC001611154030 1289632754 /nfs/dbraw/zinc/63/27/54/1289632754.db2.gz AORBTOADDJICSU-UHFFFAOYSA-N -1 1 357.168 0.407 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Br)nn2C)n1 ZINC001611154030 1289632762 /nfs/dbraw/zinc/63/27/62/1289632762.db2.gz AORBTOADDJICSU-UHFFFAOYSA-N -1 1 357.168 0.407 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001620739841 1290020237 /nfs/dbraw/zinc/02/02/37/1290020237.db2.gz IANOVETZKZZLJA-XCBNKYQSSA-N -1 1 362.415 0.437 10 0 FCAEMM Cn1nnnc1CCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001623336160 1290214161 /nfs/dbraw/zinc/21/41/61/1290214161.db2.gz HTYAXAARSWFCLL-UHFFFAOYSA-N -1 1 370.435 0.243 10 0 FCAEMM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1c([O-])cnc2c(F)cccc21 ZINC001624260504 1290261857 /nfs/dbraw/zinc/26/18/57/1290261857.db2.gz WEDIFZBZWXKBSJ-OAHLLOKOSA-N -1 1 354.359 0.359 10 0 FCAEMM Cn1nccc1[C@H]1C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001624277378 1290262293 /nfs/dbraw/zinc/26/22/93/1290262293.db2.gz MSKSVOKPMHFBHN-BXUZGUMPSA-N -1 1 359.386 0.287 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001624730992 1290292070 /nfs/dbraw/zinc/29/20/70/1290292070.db2.gz QPJIFAXTERCTGX-MNOVXSKESA-N -1 1 366.418 0.935 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC001625611561 1290353817 /nfs/dbraw/zinc/35/38/17/1290353817.db2.gz MQGLQECBEIHKNU-ZZKXABKFSA-N -1 1 359.415 0.284 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCCS2(=O)=O)c1 ZINC001625729927 1290362097 /nfs/dbraw/zinc/36/20/97/1290362097.db2.gz HAVRVMOVUHFLPJ-SECBINFHSA-N -1 1 362.429 0.206 10 0 FCAEMM Cc1cc(-c2nc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)co2)ccn1 ZINC001626046634 1290370330 /nfs/dbraw/zinc/37/03/30/1290370330.db2.gz HRAHNMYEZNBUPD-UHFFFAOYSA-N -1 1 355.358 0.682 10 0 FCAEMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001626046841 1290371853 /nfs/dbraw/zinc/37/18/53/1290371853.db2.gz PGAGUKXWFAIIHU-MLGOLLRUSA-N -1 1 351.407 0.128 10 0 FCAEMM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626047089 1290372154 /nfs/dbraw/zinc/37/21/54/1290372154.db2.gz YOSNBFGRGCFJSS-UHFFFAOYSA-N -1 1 361.431 0.588 10 0 FCAEMM CS(C)(=O)=Nc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001626046913 1290372792 /nfs/dbraw/zinc/37/27/92/1290372792.db2.gz RWPFBSKZFIQBPY-UHFFFAOYSA-N -1 1 364.431 0.683 10 0 FCAEMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001626578124 1290404076 /nfs/dbraw/zinc/40/40/76/1290404076.db2.gz FBGYQJHWQGVBLB-MNOVXSKESA-N -1 1 357.432 0.265 10 0 FCAEMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001626578578 1290404182 /nfs/dbraw/zinc/40/41/82/1290404182.db2.gz MKKLBQREOWUEGT-AAEUAGOBSA-N -1 1 351.403 0.546 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001627291874 1290453109 /nfs/dbraw/zinc/45/31/09/1290453109.db2.gz OQSWZTVBQKJKLI-AWEZNQCLSA-N -1 1 361.320 0.823 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001627858052 1290488712 /nfs/dbraw/zinc/48/87/12/1290488712.db2.gz MIVQCWNMWXRWSJ-GUBZILKMSA-N -1 1 354.325 0.359 10 0 FCAEMM CCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001740377497 1290548962 /nfs/dbraw/zinc/54/89/62/1290548962.db2.gz FMGZQWLTQIDYSL-MCIONIFRSA-N -1 1 374.441 0.955 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)n[n-]1 ZINC001629030465 1290571130 /nfs/dbraw/zinc/57/11/30/1290571130.db2.gz ZHVLQQRVVOBOII-MGPLVRAMSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)[n-]1 ZINC001629030465 1290571136 /nfs/dbraw/zinc/57/11/36/1290571136.db2.gz ZHVLQQRVVOBOII-MGPLVRAMSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)n1 ZINC001629030465 1290571143 /nfs/dbraw/zinc/57/11/43/1290571143.db2.gz ZHVLQQRVVOBOII-MGPLVRAMSA-N -1 1 351.407 0.711 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC001629164799 1290581815 /nfs/dbraw/zinc/58/18/15/1290581815.db2.gz FDYKHZCRDZDZPR-JTQLQIEISA-N -1 1 365.191 0.426 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(/C)CN2CCOCC2)c1 ZINC001629171745 1290582469 /nfs/dbraw/zinc/58/24/69/1290582469.db2.gz HEQNYSAQLZJXEB-XFXZXTDPSA-N -1 1 369.443 0.517 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 ZINC001629176433 1290583605 /nfs/dbraw/zinc/58/36/05/1290583605.db2.gz LHQZIYVFUNEKGI-NWDGAFQWSA-N -1 1 350.400 0.776 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc(Cl)cn2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001750927132 1290606242 /nfs/dbraw/zinc/60/62/42/1290606242.db2.gz LCYFZADHYLHMKD-PWSUYJOCSA-N -1 1 367.841 0.128 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001630463076 1290669230 /nfs/dbraw/zinc/66/92/30/1290669230.db2.gz OBJZQPFHWYIXKK-ZDUSSCGKSA-N -1 1 360.414 0.424 10 0 FCAEMM NC(=O)C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Cl)cc1 ZINC001630547570 1290676063 /nfs/dbraw/zinc/67/60/63/1290676063.db2.gz GKMDBSRAMCCDGB-GFCCVEGCSA-N -1 1 364.789 0.313 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001630646261 1290685620 /nfs/dbraw/zinc/68/56/20/1290685620.db2.gz DRIAWDGUPFGKTC-GFCCVEGCSA-N -1 1 356.354 0.709 10 0 FCAEMM CCCc1nnc([N-]C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)s1 ZINC001630850423 1290705147 /nfs/dbraw/zinc/70/51/47/1290705147.db2.gz AMVFXSUIUJFIAB-UHFFFAOYSA-N -1 1 356.433 0.574 10 0 FCAEMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001631345954 1290725736 /nfs/dbraw/zinc/72/57/36/1290725736.db2.gz QRJLWCDDVBLIKC-NSHDSACASA-N -1 1 352.391 0.553 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC001643240789 1290864741 /nfs/dbraw/zinc/86/47/41/1290864741.db2.gz CPCKSHMNIMAFCQ-UHFFFAOYSA-N -1 1 362.411 0.671 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCn1cnccc1=O ZINC001643450023 1290891903 /nfs/dbraw/zinc/89/19/03/1290891903.db2.gz NBDQBHIVIYNCBY-UHFFFAOYSA-N -1 1 366.381 0.056 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cnc(C(F)(F)F)nc1 ZINC001645350449 1291019187 /nfs/dbraw/zinc/01/91/87/1291019187.db2.gz SJOKMJFZZLNPPW-UHFFFAOYSA-N -1 1 355.276 0.642 10 0 FCAEMM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)CC1 ZINC001645346775 1291019687 /nfs/dbraw/zinc/01/96/87/1291019687.db2.gz YHCBAHRHRQOJHW-GFCCVEGCSA-N -1 1 370.479 0.043 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)c3cccc([O-])c3F)CC2)CCOC1 ZINC001645846907 1291045266 /nfs/dbraw/zinc/04/52/66/1291045266.db2.gz AXHQMRKIKPJQMN-KRWDZBQOSA-N -1 1 352.362 0.621 10 0 FCAEMM C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1nn(C)cc1[O-] ZINC001648325079 1291118695 /nfs/dbraw/zinc/11/86/95/1291118695.db2.gz FVBZSSTWSRSIQI-AWEZNQCLSA-N -1 1 358.446 0.910 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC001651180675 1291201604 /nfs/dbraw/zinc/20/16/04/1291201604.db2.gz JUWLTJVOIVTZFW-KRWDZBQOSA-N -1 1 371.401 0.553 10 0 FCAEMM COC[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1nn[n-]n1 ZINC001651846914 1291242637 /nfs/dbraw/zinc/24/26/37/1291242637.db2.gz QMUJHFKPHZBIPO-SNVBAGLBSA-N -1 1 367.207 0.893 10 0 FCAEMM COC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652617999 1291286392 /nfs/dbraw/zinc/28/63/92/1291286392.db2.gz RDDJQNDBCOASHH-NSHDSACASA-N -1 1 354.407 0.968 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCCCC2)o1 ZINC001653209280 1291327349 /nfs/dbraw/zinc/32/73/49/1291327349.db2.gz YSGVXOZPIDEASC-UHFFFAOYSA-N -1 1 360.432 0.629 10 0 FCAEMM CSc1ncc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c(=O)[n-]1 ZINC001653790076 1291369429 /nfs/dbraw/zinc/36/94/29/1291369429.db2.gz RQOPNHUOBIZWGB-UHFFFAOYSA-N -1 1 353.404 0.354 10 0 FCAEMM O=C(NC[C@]1(O)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001672029826 1292060586 /nfs/dbraw/zinc/06/05/86/1292060586.db2.gz KQBFNCGTQGWLHD-QMTMVMCOSA-N -1 1 371.441 0.122 10 0 FCAEMM COC[C@@]1(C)CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001675456376 1292177420 /nfs/dbraw/zinc/17/74/20/1292177420.db2.gz FVVQLNOKOABXNT-MRXNPFEDSA-N -1 1 352.391 0.202 10 0 FCAEMM CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1OCCO[C@H]1C ZINC001679704544 1292313782 /nfs/dbraw/zinc/31/37/82/1292313782.db2.gz TZJDTOBMQAPIIT-ZENOOKHLSA-N -1 1 365.430 0.852 10 0 FCAEMM CCN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H](C)CS(C)(=O)=O ZINC001684868653 1292346347 /nfs/dbraw/zinc/34/63/47/1292346347.db2.gz IWFDVRUBSADDQN-JTQLQIEISA-N -1 1 372.447 0.220 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@H](n2ccnn2)C1 ZINC001684870090 1292347804 /nfs/dbraw/zinc/34/78/04/1292347804.db2.gz VUDJRXGLHIRCSW-NSHDSACASA-N -1 1 359.390 0.393 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001684869791 1292348393 /nfs/dbraw/zinc/34/83/93/1292348393.db2.gz SXQAPUUKPJLPPE-CHWSQXEVSA-N -1 1 361.402 0.208 10 0 FCAEMM O=C(NC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)c1ncccc1[O-] ZINC001687944298 1293028691 /nfs/dbraw/zinc/02/86/91/1293028691.db2.gz VZLGSRQBJRJDPA-QZYPOIMUSA-N -1 1 357.410 0.835 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000392167850 836058751 /nfs/dbraw/zinc/05/87/51/836058751.db2.gz XPAHOXKGPLSZTJ-UHFFFAOYSA-N -1 1 357.388 0.517 10 0 FCAEMM C[S@](=O)C1(C(=O)Nc2nnn[n-]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001118676829 847531434 /nfs/dbraw/zinc/53/14/34/847531434.db2.gz RLOLVEOYTIPOLX-DEOSSOPVSA-N -1 1 358.424 0.286 10 0 FCAEMM C[S@](=O)C1(C(=O)Nc2nn[n-]n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001118676829 847531446 /nfs/dbraw/zinc/53/14/46/847531446.db2.gz RLOLVEOYTIPOLX-DEOSSOPVSA-N -1 1 358.424 0.286 10 0 FCAEMM CS(C)(=O)=Nc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC001118815965 847589940 /nfs/dbraw/zinc/58/99/40/847589940.db2.gz KZPCBBHQDIRFSM-LBPRGKRZSA-N -1 1 350.404 0.773 10 0 FCAEMM COc1ccc(NC(=O)C[C@@H]2CC(=O)NC2=O)cc1[N-]S(C)(=O)=O ZINC001136149784 849208582 /nfs/dbraw/zinc/20/85/82/849208582.db2.gz YQNVNQWKJLAEJY-MRVPVSSYSA-N -1 1 355.372 0.058 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001136441008 849222688 /nfs/dbraw/zinc/22/26/88/849222688.db2.gz NNCQCWXFVRSGOA-UHFFFAOYSA-N -1 1 360.461 0.275 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001136994676 849251640 /nfs/dbraw/zinc/25/16/40/849251640.db2.gz FFMIYFVHCZJXQF-HNNXBMFYSA-N -1 1 365.415 0.230 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCNC2=O)c1 ZINC001137774611 849283193 /nfs/dbraw/zinc/28/31/93/849283193.db2.gz BUUHFYGXPMORDD-GFCCVEGCSA-N -1 1 369.443 0.887 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)[C@H](C)C1 ZINC001137882256 849288638 /nfs/dbraw/zinc/28/86/38/849288638.db2.gz PIGURDBMELLIPG-SNVBAGLBSA-N -1 1 354.432 0.614 10 0 FCAEMM C[C@H](CN(C)C(=O)c1cc(Br)cn2ncnc12)c1nn[n-]n1 ZINC001138057208 849296018 /nfs/dbraw/zinc/29/60/18/849296018.db2.gz IXSLZQGZBFGUMF-SSDOTTSWSA-N -1 1 365.195 0.881 10 0 FCAEMM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)[N-]OCCO ZINC001138490177 849312488 /nfs/dbraw/zinc/31/24/88/849312488.db2.gz GUZLNZJLMHFITK-KATARQTJSA-N -1 1 350.293 0.012 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccnc(OC(F)F)c1 ZINC001140356459 849361128 /nfs/dbraw/zinc/36/11/28/849361128.db2.gz ANTAMQOPTJAKCX-UHFFFAOYSA-N -1 1 352.297 0.830 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC001141578653 849402458 /nfs/dbraw/zinc/40/24/58/849402458.db2.gz WKFLTOBLHKKZAC-MRVPVSSYSA-N -1 1 356.429 0.964 10 0 FCAEMM CSc1ncc(C(=O)NCCN2C(=O)c3ccccc3C2=O)c(=O)[n-]1 ZINC001142298347 849436318 /nfs/dbraw/zinc/43/63/18/849436318.db2.gz HFNJXBGPJXCJHL-UHFFFAOYSA-N -1 1 358.379 0.930 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)n[n-]1 ZINC001146865401 849568697 /nfs/dbraw/zinc/56/86/97/849568697.db2.gz JUTFUAKTZBTXME-MRVPVSSYSA-N -1 1 358.420 0.514 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)[n-]1 ZINC001146865401 849568698 /nfs/dbraw/zinc/56/86/98/849568698.db2.gz JUTFUAKTZBTXME-MRVPVSSYSA-N -1 1 358.420 0.514 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)n1 ZINC001146865401 849568703 /nfs/dbraw/zinc/56/87/03/849568703.db2.gz JUTFUAKTZBTXME-MRVPVSSYSA-N -1 1 358.420 0.514 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)N[C@@H](CCSC)c3nn[n-]n3)nc2C1 ZINC001148261049 849605906 /nfs/dbraw/zinc/60/59/06/849605906.db2.gz NYZRPDSHZFKXEB-UWVGGRQHSA-N -1 1 351.436 0.582 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)co1 ZINC001149137669 849630284 /nfs/dbraw/zinc/63/02/84/849630284.db2.gz KEESNXOQGBNMBN-UHFFFAOYSA-N -1 1 368.371 0.369 10 0 FCAEMM CCOC(=O)C(C)(C)O[N-]C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001163670627 850377616 /nfs/dbraw/zinc/37/76/16/850377616.db2.gz HQWFVUDFEMVFHT-UHFFFAOYSA-N -1 1 360.407 0.748 10 0 FCAEMM CCCNC(=O)Cc1csc(NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC001174886231 850748005 /nfs/dbraw/zinc/74/80/05/850748005.db2.gz HLITUZKJZQGIIA-UHFFFAOYSA-N -1 1 365.415 0.091 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CN2CCCCC(=O)C2=O)[n-]c1=O ZINC001178686437 850916824 /nfs/dbraw/zinc/91/68/24/850916824.db2.gz DCARVINFWFBANF-UHFFFAOYSA-N -1 1 350.375 0.124 10 0 FCAEMM CC(C)(O)[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254496888 857974656 /nfs/dbraw/zinc/97/46/56/857974656.db2.gz NYVGDHOGLFBISM-NSHDSACASA-N -1 1 350.419 0.947 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001261481859 858563835 /nfs/dbraw/zinc/56/38/35/858563835.db2.gz RJLWSELWAGPDIV-GXFFZTMASA-N -1 1 369.443 0.624 10 0 FCAEMM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001261482012 858563869 /nfs/dbraw/zinc/56/38/69/858563869.db2.gz XZSPFSXWJNNFAE-JTNHKYCSSA-N -1 1 369.443 0.704 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2c2nc(C)no2)co1 ZINC001261838153 858682102 /nfs/dbraw/zinc/68/21/02/858682102.db2.gz YKLRLOMEADTFIS-KOLCDFICSA-N -1 1 356.360 0.139 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(CCS(C)(=O)=O)no1 ZINC001262166229 858804225 /nfs/dbraw/zinc/80/42/25/858804225.db2.gz YFWNLZFGVROLKB-QMMMGPOBSA-N -1 1 365.458 0.758 10 0 FCAEMM O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001263911079 859236740 /nfs/dbraw/zinc/23/67/40/859236740.db2.gz AEDZGUXDQQQIIQ-SNVBAGLBSA-N -1 1 357.340 0.982 10 0 FCAEMM Cc1csc(CCC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)n1 ZINC001264711319 859432992 /nfs/dbraw/zinc/43/29/92/859432992.db2.gz DPPXACNVSOCURH-NEPJUHHUSA-N -1 1 364.475 0.585 10 0 FCAEMM CC(C)CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001281645979 863572762 /nfs/dbraw/zinc/57/27/62/863572762.db2.gz WEKAANCYTYCERY-OUCADQQQSA-N -1 1 351.403 0.150 10 0 FCAEMM COC[C@H](OC)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001282475071 864287024 /nfs/dbraw/zinc/28/70/24/864287024.db2.gz RWZBQOHSXSSXGT-BZPMIXESSA-N -1 1 351.403 0.273 10 0 FCAEMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001295075779 865874122 /nfs/dbraw/zinc/87/41/22/865874122.db2.gz CAUWLXKNAPAFCY-VIFPVBQESA-N -1 1 355.445 0.029 10 0 FCAEMM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC001296796161 865989812 /nfs/dbraw/zinc/98/98/12/865989812.db2.gz UCPZYSSENVIWKD-MRVPVSSYSA-N -1 1 370.822 0.671 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)c3cnc(SC)[n-]c3=O)C[C@H]1COCC2 ZINC001297333725 866024850 /nfs/dbraw/zinc/02/48/50/866024850.db2.gz DUCJVBDCASQDGV-BJOHPYRUSA-N -1 1 353.400 0.556 10 0 FCAEMM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001297505212 866037342 /nfs/dbraw/zinc/03/73/42/866037342.db2.gz IYCSLBCVZCAGMD-UHFFFAOYSA-N -1 1 370.475 0.912 10 0 FCAEMM CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CCc1nn[n-]n1 ZINC001300943190 866240335 /nfs/dbraw/zinc/24/03/35/866240335.db2.gz SSVJSFZBUJRUST-UHFFFAOYSA-N -1 1 356.427 0.474 10 0 FCAEMM CCOC(=O)[C@@]1(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCCOC1 ZINC001301735882 866287214 /nfs/dbraw/zinc/28/72/14/866287214.db2.gz CKUUQIZLJYANLE-OAHLLOKOSA-N -1 1 355.416 0.869 10 0 FCAEMM CN(C)C(=O)Cn1cnc([N-]C(=O)c2nscc2Br)n1 ZINC001349498984 866361936 /nfs/dbraw/zinc/36/19/36/866361936.db2.gz HVKOXYBDNIMBNB-UHFFFAOYSA-N -1 1 359.209 0.838 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)COC1 ZINC001302938650 866365569 /nfs/dbraw/zinc/36/55/69/866365569.db2.gz ULOHPUNQMWFTKL-SNVBAGLBSA-N -1 1 352.395 0.199 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C ZINC001303201485 866390016 /nfs/dbraw/zinc/39/00/16/866390016.db2.gz LJOQLFDNGQXGPG-CYBMUJFWSA-N -1 1 358.468 0.291 10 0 FCAEMM FC(F)(F)CN1CCN(c2nnc(-c3nnn[n-]3)n2CC2CC2)CC1 ZINC001351327651 866834087 /nfs/dbraw/zinc/83/40/87/866834087.db2.gz YEFUVXJVSCJSSN-UHFFFAOYSA-N -1 1 357.344 0.553 10 0 FCAEMM FC(F)(F)CN1CCN(c2nnc(-c3nn[n-]n3)n2CC2CC2)CC1 ZINC001351327651 866834107 /nfs/dbraw/zinc/83/41/07/866834107.db2.gz YEFUVXJVSCJSSN-UHFFFAOYSA-N -1 1 357.344 0.553 10 0 FCAEMM CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC001351486874 866881002 /nfs/dbraw/zinc/88/10/02/866881002.db2.gz KCNWVUFMSPEZAD-LBPRGKRZSA-N -1 1 368.411 0.249 10 0 FCAEMM Cc1nc(CCC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)cs1 ZINC001316794428 867493014 /nfs/dbraw/zinc/49/30/14/867493014.db2.gz KAXUNSGFPLBBSX-MFKMUULPSA-N -1 1 364.475 0.585 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)CC2)CC1 ZINC001354028097 867537000 /nfs/dbraw/zinc/53/70/00/867537000.db2.gz VCLIADYJVRKLPX-UHFFFAOYSA-N -1 1 358.458 0.858 10 0 FCAEMM CN(C)C(=O)Cn1cnc([N-]C(=O)c2csc(-c3ncccn3)n2)n1 ZINC001318697387 867730523 /nfs/dbraw/zinc/73/05/23/867730523.db2.gz PQNZMSFJSIAEBX-UHFFFAOYSA-N -1 1 358.387 0.532 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1 ZINC001324730224 869660915 /nfs/dbraw/zinc/66/09/15/869660915.db2.gz IMGKXONFHFKSFZ-UHFFFAOYSA-N -1 1 361.383 0.772 10 0 FCAEMM O=C(OCc1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC001328148670 871250219 /nfs/dbraw/zinc/25/02/19/871250219.db2.gz YNWADPJDCYFMSV-JKSUJKDBSA-N -1 1 371.455 0.827 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001328807504 871637291 /nfs/dbraw/zinc/63/72/91/871637291.db2.gz VYEYMGQBTKWRLM-GUBZILKMSA-N -1 1 365.312 0.084 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(C)[n-]c(=O)nc3SC)C[C@H]21 ZINC001328828806 871653475 /nfs/dbraw/zinc/65/34/75/871653475.db2.gz YDWPESVBQZCTHM-AEJSXWLSSA-N -1 1 373.456 0.097 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](OC)[C@H]2CCOC2)cc1 ZINC001329489002 872063031 /nfs/dbraw/zinc/06/30/31/872063031.db2.gz JUKYLRUMQCENEH-SWLSCSKDSA-N -1 1 351.355 0.546 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1)[C@@H]1CCOC1 ZINC001330136687 872485070 /nfs/dbraw/zinc/48/50/70/872485070.db2.gz PXFYIQXVESEHJL-CHWSQXEVSA-N -1 1 368.415 0.603 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1c(Br)nc2n1CCOC2)c1nn[n-]n1 ZINC001331210090 873010144 /nfs/dbraw/zinc/01/01/44/873010144.db2.gz MTMLRPAOGSZPOC-ZETCQYMHSA-N -1 1 370.211 0.565 10 0 FCAEMM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC001332309625 873448865 /nfs/dbraw/zinc/44/88/65/873448865.db2.gz RJBKVDWSXJUFHJ-MRXNPFEDSA-N -1 1 372.443 0.987 10 0 FCAEMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC001332474176 873523737 /nfs/dbraw/zinc/52/37/37/873523737.db2.gz OZQMLYHUUFGTTO-IGQOVBAYSA-N -1 1 357.476 0.888 10 0 FCAEMM COC(=O)[C@H](F)C(NCC1CCCCC1)=C1C(=O)[N-]C(=S)NC1=O ZINC000292986795 214136380 /nfs/dbraw/zinc/13/63/80/214136380.db2.gz IHUPHDQHCUWLEL-SNVBAGLBSA-N -1 1 357.407 0.452 10 0 FCAEMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000293393621 214170209 /nfs/dbraw/zinc/17/02/09/214170209.db2.gz HAECYGYVFPTVFZ-MRVPVSSYSA-N -1 1 369.369 0.521 10 0 FCAEMM O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293816498 214203656 /nfs/dbraw/zinc/20/36/56/214203656.db2.gz CXCMEHSIOLTDQI-LBPRGKRZSA-N -1 1 361.377 0.302 10 0 FCAEMM Cc1c(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)nnn1-c1ccccc1 ZINC000294454075 214247142 /nfs/dbraw/zinc/24/71/42/214247142.db2.gz YNBNNPKQVXFHSB-CYBMUJFWSA-N -1 1 367.413 0.936 10 0 FCAEMM O=c1nc(C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)[nH][n-]1 ZINC000294546209 214252555 /nfs/dbraw/zinc/25/25/55/214252555.db2.gz KPEVLJLUWGTCOO-UHFFFAOYSA-N -1 1 350.360 0.203 10 0 FCAEMM COC(=O)CCC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000295157960 214280149 /nfs/dbraw/zinc/28/01/49/214280149.db2.gz GHWXTIFDZONZDA-UHFFFAOYSA-N -1 1 354.226 0.723 10 0 FCAEMM C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366709602 216020531 /nfs/dbraw/zinc/02/05/31/216020531.db2.gz CUXYCPQILWMXBW-SSDOTTSWSA-N -1 1 364.328 0.466 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366711218 216020822 /nfs/dbraw/zinc/02/08/22/216020822.db2.gz QXYHWWXTWMZGET-CHWSQXEVSA-N -1 1 364.475 0.997 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000366709473 216020890 /nfs/dbraw/zinc/02/08/90/216020890.db2.gz JZNVAXBJIHVAGE-KBPBESRZSA-N -1 1 363.466 0.983 10 0 FCAEMM c1cnc(N2CCN(CCCN=c3[n-]c(C4CCOCC4)no3)CC2)nc1 ZINC000413040381 237269741 /nfs/dbraw/zinc/26/97/41/237269741.db2.gz JLYLFLWEXFNUFE-UHFFFAOYSA-N -1 1 373.461 0.800 10 0 FCAEMM C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000245853131 209376916 /nfs/dbraw/zinc/37/69/16/209376916.db2.gz JOZROGUJZWXJJP-IUODEOHRSA-N -1 1 350.806 0.753 10 0 FCAEMM C[C@@H](CN(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1nn[n-]n1 ZINC000368524040 216257700 /nfs/dbraw/zinc/25/77/00/216257700.db2.gz JFWSDAHMVXMVBG-NSHDSACASA-N -1 1 363.422 0.359 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)n1 ZINC000369338387 216386117 /nfs/dbraw/zinc/38/61/17/216386117.db2.gz IGIFASNLRBVCRM-JQWIXIFHSA-N -1 1 372.447 0.668 10 0 FCAEMM CCC1(CC)CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC[S@]1=O ZINC000186728228 209196488 /nfs/dbraw/zinc/19/64/88/209196488.db2.gz XFSNWANPUCHGKB-JOCHJYFZSA-N -1 1 362.473 0.951 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)o1 ZINC000276355781 212218950 /nfs/dbraw/zinc/21/89/50/212218950.db2.gz IINCFIHNXQMYBY-OPQQBVKSSA-N -1 1 356.400 0.601 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000375392730 217258825 /nfs/dbraw/zinc/25/88/25/217258825.db2.gz ORZAQUKAVYDJBH-QWRGUYRKSA-N -1 1 374.415 0.370 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])C1 ZINC000424267898 247193302 /nfs/dbraw/zinc/19/33/02/247193302.db2.gz KSHZZHKYPJUWRV-BFYDXBDKSA-N -1 1 355.479 0.645 10 0 FCAEMM Cc1nc([C@H]2CCCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2)n[nH]1 ZINC000424494323 247239845 /nfs/dbraw/zinc/23/98/45/247239845.db2.gz PKCWZFOUZSEJMW-STQMWFEESA-N -1 1 365.434 0.682 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1)C(=O)[O-] ZINC000424461821 247227194 /nfs/dbraw/zinc/22/71/94/247227194.db2.gz DGECZYMBGNXZGY-GJZGRUSLSA-N -1 1 371.478 0.323 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(=O)[O-] ZINC000424461825 247227246 /nfs/dbraw/zinc/22/72/46/247227246.db2.gz DGECZYMBGNXZGY-LSDHHAIUSA-N -1 1 371.478 0.323 10 0 FCAEMM O=C(Cn1cnc2ccccc2c1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425289693 247315115 /nfs/dbraw/zinc/31/51/15/247315115.db2.gz DOFMCBOQYWXAFE-UHFFFAOYSA-N -1 1 355.354 0.891 10 0 FCAEMM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000431689321 247781327 /nfs/dbraw/zinc/78/13/27/247781327.db2.gz BLBDZRWMKLJIJH-UHFFFAOYSA-N -1 1 372.406 0.843 10 0 FCAEMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000436176550 248034245 /nfs/dbraw/zinc/03/42/45/248034245.db2.gz QYMUSYTZSGYGJH-UHFFFAOYSA-N -1 1 355.347 0.851 10 0 FCAEMM CC(C)[C@@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443235177 248313403 /nfs/dbraw/zinc/31/34/03/248313403.db2.gz SYMPRYMCNKRNBZ-NSHDSACASA-N -1 1 354.425 0.492 10 0 FCAEMM CCOC(=O)CCS(=O)(=O)[N-][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444291814 248354367 /nfs/dbraw/zinc/35/43/67/248354367.db2.gz WHUBZZPFRIPWFJ-IAQYHMDHSA-N -1 1 365.448 0.606 10 0 FCAEMM CC(C)NS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470976745 250083263 /nfs/dbraw/zinc/08/32/63/250083263.db2.gz TVNMOKPRLUPZLY-UHFFFAOYSA-N -1 1 350.404 0.306 10 0 FCAEMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000470985677 250085132 /nfs/dbraw/zinc/08/51/32/250085132.db2.gz RGMCYDDCTQFWMP-LBPRGKRZSA-N -1 1 359.409 0.655 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000470982995 250085422 /nfs/dbraw/zinc/08/54/22/250085422.db2.gz DQJMALYZHPKFNH-UHFFFAOYSA-N -1 1 368.444 0.465 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000470985751 250085477 /nfs/dbraw/zinc/08/54/77/250085477.db2.gz RMHDRYBKALZMKN-LBPRGKRZSA-N -1 1 358.377 0.997 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000473307662 250217650 /nfs/dbraw/zinc/21/76/50/250217650.db2.gz XIWIPCHWDIKVMC-SSDOTTSWSA-N -1 1 365.371 0.596 10 0 FCAEMM COc1ccc(C)cc1N1C[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000473376751 250225087 /nfs/dbraw/zinc/22/50/87/250225087.db2.gz KUZNHYIDVLZSAO-NSHDSACASA-N -1 1 356.386 0.675 10 0 FCAEMM Cn1cc(N2CC[C@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)cn1 ZINC000117953619 208347645 /nfs/dbraw/zinc/34/76/45/208347645.db2.gz IZRZYZSTTZQUOY-ZDUSSCGKSA-N -1 1 352.354 0.192 10 0 FCAEMM CCCOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000115983253 208327852 /nfs/dbraw/zinc/32/78/52/208327852.db2.gz BDAKRJXXUYHCDS-UHFFFAOYSA-N -1 1 358.416 0.778 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c2=O ZINC000179466643 209079079 /nfs/dbraw/zinc/07/90/79/209079079.db2.gz YOROAYDSXAMBMG-AWEZNQCLSA-N -1 1 351.366 0.987 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000328650614 488926731 /nfs/dbraw/zinc/92/67/31/488926731.db2.gz VOQXRCOBMYYGEY-GFCCVEGCSA-N -1 1 373.461 1.132 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279595376 488954766 /nfs/dbraw/zinc/95/47/66/488954766.db2.gz VKKOGSCBNAMBSY-CQSZACIVSA-N -1 1 368.187 0.969 10 0 FCAEMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)NN=c1nc(OC)cc[n-]1 ZINC000032591864 487778665 /nfs/dbraw/zinc/77/86/65/487778665.db2.gz XMTZIHPQEHODMF-UHFFFAOYSA-N -1 1 356.360 0.787 10 0 FCAEMM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184327678 488395791 /nfs/dbraw/zinc/39/57/91/488395791.db2.gz ZUDUCMOMNSMLGZ-VIFPVBQESA-N -1 1 364.230 0.957 10 0 FCAEMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000249702728 488514142 /nfs/dbraw/zinc/51/41/42/488514142.db2.gz JJHLLSSWBHVTFP-AGIUHOORSA-N -1 1 357.476 0.823 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000271599937 488529952 /nfs/dbraw/zinc/52/99/52/488529952.db2.gz XKJFTWAMGMNDID-NXEZZACHSA-N -1 1 355.416 0.777 10 0 FCAEMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000112103638 488533116 /nfs/dbraw/zinc/53/31/16/488533116.db2.gz QHXWDEZYWLFVRE-SNVBAGLBSA-N -1 1 354.288 0.816 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNC(=O)c1ccsc1 ZINC000115163642 488543762 /nfs/dbraw/zinc/54/37/62/488543762.db2.gz XCADKOSWXBHQRZ-UHFFFAOYSA-N -1 1 359.411 0.747 10 0 FCAEMM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000264023397 488643540 /nfs/dbraw/zinc/64/35/40/488643540.db2.gz XHRFPOCTBYWOKI-GFCCVEGCSA-N -1 1 365.411 0.113 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000131265891 488644420 /nfs/dbraw/zinc/64/44/20/488644420.db2.gz CMYLTADFNFPKEG-ZFWWWQNUSA-N -1 1 371.441 0.699 10 0 FCAEMM C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000152076602 488713261 /nfs/dbraw/zinc/71/32/61/488713261.db2.gz QHCOOAIKITYSOD-OAHLLOKOSA-N -1 1 369.425 0.302 10 0 FCAEMM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155546161 488756209 /nfs/dbraw/zinc/75/62/09/488756209.db2.gz ZLTDBMLTZDPHBU-OCCSQVGLSA-N -1 1 357.418 0.755 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000275051116 488756690 /nfs/dbraw/zinc/75/66/90/488756690.db2.gz XBKUIFFHCVSDIG-LBPRGKRZSA-N -1 1 352.416 0.780 10 0 FCAEMM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176761283 488858717 /nfs/dbraw/zinc/85/87/17/488858717.db2.gz NCHVMKQGOHJPSN-IUODEOHRSA-N -1 1 359.430 0.992 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cn1C ZINC000280264332 488993494 /nfs/dbraw/zinc/99/34/94/488993494.db2.gz KBMKCSKRTONOSP-SNVBAGLBSA-N -1 1 367.431 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cnc(NC)s3)CC2)n1 ZINC000364819413 489005219 /nfs/dbraw/zinc/00/52/19/489005219.db2.gz XZEGQGFICZMZJB-UHFFFAOYSA-N -1 1 364.431 1.499 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)o1 ZINC000280552588 489017452 /nfs/dbraw/zinc/01/74/52/489017452.db2.gz NUIYLXDMTBLOLK-OAHLLOKOSA-N -1 1 358.416 0.598 10 0 FCAEMM COC(=O)c1ccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289457172 489069058 /nfs/dbraw/zinc/06/90/58/489069058.db2.gz PTLBMTFTHIISAJ-LBPRGKRZSA-N -1 1 359.386 0.703 10 0 FCAEMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000289565208 489077503 /nfs/dbraw/zinc/07/75/03/489077503.db2.gz YDEUFGVEJDIBRN-NSHDSACASA-N -1 1 356.386 0.263 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)ccc2N1C ZINC000289802054 489094083 /nfs/dbraw/zinc/09/40/83/489094083.db2.gz YNTQAYGPVPJPLS-CMPLNLGQSA-N -1 1 370.413 0.895 10 0 FCAEMM Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282832720 489193300 /nfs/dbraw/zinc/19/33/00/489193300.db2.gz DNUCMLYMLFLDOC-OAHLLOKOSA-N -1 1 371.441 0.861 10 0 FCAEMM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282917711 489198803 /nfs/dbraw/zinc/19/88/03/489198803.db2.gz NLWHBWWUYNWIIS-GFCCVEGCSA-N -1 1 368.397 0.715 10 0 FCAEMM CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)ccc21 ZINC000282995331 489204755 /nfs/dbraw/zinc/20/47/55/489204755.db2.gz VCLHWKCDPZOYJI-GFCCVEGCSA-N -1 1 370.413 0.896 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283009438 489206158 /nfs/dbraw/zinc/20/61/58/489206158.db2.gz WIPJPUROXYTOFZ-GHMZBOCLSA-N -1 1 353.448 0.506 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)o1 ZINC000283148465 489219710 /nfs/dbraw/zinc/21/97/10/489219710.db2.gz JNURRQMBGDZZPI-RISCZKNCSA-N -1 1 373.427 0.912 10 0 FCAEMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000370035725 489307629 /nfs/dbraw/zinc/30/76/29/489307629.db2.gz GLHRLDFDKMXQNS-MLCYQJTMSA-N -1 1 369.381 0.373 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnns1 ZINC000298741556 489359543 /nfs/dbraw/zinc/35/95/43/489359543.db2.gz CZVHGQAJBMNODB-UHFFFAOYSA-N -1 1 370.412 0.517 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCCN(S(C)(=O)=O)CC3)cnc2n1 ZINC000362009010 489372194 /nfs/dbraw/zinc/37/21/94/489372194.db2.gz JBPYBWGAQGAKPY-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCN(S(C)(=O)=O)CC1)c2=O ZINC000362009010 489372197 /nfs/dbraw/zinc/37/21/97/489372197.db2.gz JBPYBWGAQGAKPY-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000570702089 491259128 /nfs/dbraw/zinc/25/91/28/491259128.db2.gz ZRXUWRNADXXAHW-HTQZYQBOSA-N -1 1 354.354 0.761 10 0 FCAEMM O=c1nc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)[n-]o1 ZINC000451470192 489505816 /nfs/dbraw/zinc/50/58/16/489505816.db2.gz FVXVMHGDXFACMX-UHFFFAOYSA-N -1 1 353.278 0.608 10 0 FCAEMM CCOC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000451629511 489512830 /nfs/dbraw/zinc/51/28/30/489512830.db2.gz HTLQLRRAZALNHB-UHFFFAOYSA-N -1 1 366.436 0.997 10 0 FCAEMM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000416324052 489583881 /nfs/dbraw/zinc/58/38/81/489583881.db2.gz PUFQVUQZXRPSLX-NSHDSACASA-N -1 1 370.789 0.948 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CO)Cc3ccccc3C2)o1 ZINC000372505410 489591532 /nfs/dbraw/zinc/59/15/32/489591532.db2.gz NFSOMBYDVORDDB-UHFFFAOYSA-N -1 1 350.396 0.447 10 0 FCAEMM COCCCOc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000427995693 489631969 /nfs/dbraw/zinc/63/19/69/489631969.db2.gz LVVZZPLGKYGEHJ-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM COCCCOc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000427995693 489631973 /nfs/dbraw/zinc/63/19/73/489631973.db2.gz LVVZZPLGKYGEHJ-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM Cc1cnc(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)c([O-])c1 ZINC000457853536 489659392 /nfs/dbraw/zinc/65/93/92/489659392.db2.gz BKGZVEADIUMMGA-CYBMUJFWSA-N -1 1 370.475 0.780 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCC3CN(S(C)(=O)=O)C3)cnc2n1 ZINC000429719783 489699125 /nfs/dbraw/zinc/69/91/25/489699125.db2.gz OVLHNYFAQRXMGI-UHFFFAOYSA-N -1 1 350.400 0.265 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC1CN(S(C)(=O)=O)C1)c2=O ZINC000429719783 489699128 /nfs/dbraw/zinc/69/91/28/489699128.db2.gz OVLHNYFAQRXMGI-UHFFFAOYSA-N -1 1 350.400 0.265 10 0 FCAEMM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000430310920 489730032 /nfs/dbraw/zinc/73/00/32/489730032.db2.gz GCHDLLPZIHRIKV-JTQLQIEISA-N -1 1 365.415 0.424 10 0 FCAEMM O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1(c2nn[n-]n2)CC1 ZINC000430319061 489731426 /nfs/dbraw/zinc/73/14/26/489731426.db2.gz MBCNVUFHNGSVIT-UHFFFAOYSA-N -1 1 373.461 0.963 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1nn[n-]n1 ZINC000376496767 489744550 /nfs/dbraw/zinc/74/45/50/489744550.db2.gz ZHTDLALKULDTNF-CMPLNLGQSA-N -1 1 352.464 0.853 10 0 FCAEMM COc1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc(Cl)c1[O-] ZINC000460131923 489852611 /nfs/dbraw/zinc/85/26/11/489852611.db2.gz PYKUVJXORPLTCY-GFCCVEGCSA-N -1 1 358.822 0.819 10 0 FCAEMM COc1ccc(C(=O)N[C@H](C(=O)NC2(c3nn[n-]n3)CC2)C(C)C)cc1 ZINC000477028342 489932907 /nfs/dbraw/zinc/93/29/07/489932907.db2.gz XSODLXFHJJTHCL-ZDUSSCGKSA-N -1 1 358.402 0.768 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000477269906 489955023 /nfs/dbraw/zinc/95/50/23/489955023.db2.gz BCSVQCLTNFRIQH-NSHDSACASA-N -1 1 358.354 0.600 10 0 FCAEMM CC1CCC(C)(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000477383478 489961411 /nfs/dbraw/zinc/96/14/11/489961411.db2.gz RDOZJKDINMQOSH-UHFFFAOYSA-N -1 1 371.459 0.989 10 0 FCAEMM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462274648 489965110 /nfs/dbraw/zinc/96/51/10/489965110.db2.gz IHBGFJHYAPWDDG-LLVKDONJSA-N -1 1 366.436 0.997 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)s2)sc1C ZINC000434949801 489969486 /nfs/dbraw/zinc/96/94/86/489969486.db2.gz FASLVGYQLLPGKU-UHFFFAOYSA-N -1 1 367.499 0.947 10 0 FCAEMM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H](C)O ZINC000477639693 489981045 /nfs/dbraw/zinc/98/10/45/489981045.db2.gz XIRXNMYJUVQBTN-DGCLKSJQSA-N -1 1 372.443 0.759 10 0 FCAEMM O=C([O-])CCNC(=O)C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000420585286 489999071 /nfs/dbraw/zinc/99/90/71/489999071.db2.gz BBMNSFSYFCBXPB-ZDUSSCGKSA-N -1 1 371.397 0.769 10 0 FCAEMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1-c1nc(C)cc(C)n1 ZINC000478581513 490026756 /nfs/dbraw/zinc/02/67/56/490026756.db2.gz FYTLDDAAEOFTPL-VIFPVBQESA-N -1 1 355.406 0.976 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc(-c3ccncc3)s2)[n-]1 ZINC000439151720 490039014 /nfs/dbraw/zinc/03/90/14/490039014.db2.gz KPOGCODDMBSMPP-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc(-c3ccncc3)s2)n[n-]1 ZINC000439151720 490039017 /nfs/dbraw/zinc/03/90/17/490039017.db2.gz KPOGCODDMBSMPP-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CN1CCN(c2cc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)ccn2)CC1 ZINC000571332300 491301378 /nfs/dbraw/zinc/30/13/78/491301378.db2.gz ZDISFBUJQGMLAP-AWEZNQCLSA-N -1 1 371.445 0.677 10 0 FCAEMM O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113578 490178549 /nfs/dbraw/zinc/17/85/49/490178549.db2.gz FPAUFORVEWOCJP-NSHDSACASA-N -1 1 369.360 0.905 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000533113708 490178696 /nfs/dbraw/zinc/17/86/96/490178696.db2.gz LNXNTNZKBWXLRD-JTQLQIEISA-N -1 1 350.404 0.591 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc2n1 ZINC000407979085 490192246 /nfs/dbraw/zinc/19/22/46/490192246.db2.gz OQFGTNKOPUWBOI-UHFFFAOYSA-N -1 1 350.400 0.361 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(S(C)(=O)=O)CC1)c2=O ZINC000407979085 490192253 /nfs/dbraw/zinc/19/22/53/490192253.db2.gz OQFGTNKOPUWBOI-UHFFFAOYSA-N -1 1 350.400 0.361 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)o1 ZINC000408051650 490229123 /nfs/dbraw/zinc/22/91/23/490229123.db2.gz LELRFWQCBFZVKE-UTUOFQBUSA-N -1 1 358.416 0.190 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC3CCC2CC3)o1 ZINC000483375312 490312032 /nfs/dbraw/zinc/31/20/32/490312032.db2.gz IFVKGKGAYLVKAW-ILDUYXDCSA-N -1 1 355.416 0.352 10 0 FCAEMM CCc1[nH]nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1Br ZINC000448114601 490314740 /nfs/dbraw/zinc/31/47/40/490314740.db2.gz VQVQDSIRDUMNHN-UHFFFAOYSA-N -1 1 363.197 0.509 10 0 FCAEMM CCc1[nH]nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1Br ZINC000448114601 490314749 /nfs/dbraw/zinc/31/47/49/490314749.db2.gz VQVQDSIRDUMNHN-UHFFFAOYSA-N -1 1 363.197 0.509 10 0 FCAEMM Cn1cnc2cc(S(=O)(=O)N[C@H](CN3CCCCC3)C(=O)[O-])ccc21 ZINC000547571121 490320804 /nfs/dbraw/zinc/32/08/04/490320804.db2.gz UEXHMWJGLCQBMK-CQSZACIVSA-N -1 1 366.443 0.791 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000522215369 490354902 /nfs/dbraw/zinc/35/49/02/490354902.db2.gz JPRCSSXGKFJEJX-UHFFFAOYSA-N -1 1 367.362 0.705 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)[n-]1 ZINC000522215369 490354908 /nfs/dbraw/zinc/35/49/08/490354908.db2.gz JPRCSSXGKFJEJX-UHFFFAOYSA-N -1 1 367.362 0.705 10 0 FCAEMM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547873516 490372909 /nfs/dbraw/zinc/37/29/09/490372909.db2.gz LWZWQDZJWQMFIG-QJPTWQEYSA-N -1 1 359.404 0.057 10 0 FCAEMM CN1CCc2ccc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)cc21 ZINC000547907750 490383702 /nfs/dbraw/zinc/38/37/02/490383702.db2.gz FJMAYEKPDRKOIF-UHFFFAOYSA-N -1 1 353.444 0.460 10 0 FCAEMM COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000548198860 490436285 /nfs/dbraw/zinc/43/62/85/490436285.db2.gz DBXSYUDPBRMIOA-JTQLQIEISA-N -1 1 371.346 0.310 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000548201561 490437533 /nfs/dbraw/zinc/43/75/33/490437533.db2.gz SRQDWMRZKUSJJG-LLVKDONJSA-N -1 1 352.397 0.994 10 0 FCAEMM C[C@@H](NC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)C(=O)N1CCCCC1 ZINC000450917136 490499802 /nfs/dbraw/zinc/49/98/02/490499802.db2.gz YAMPBHUJESHHCO-GFCCVEGCSA-N -1 1 365.434 0.472 10 0 FCAEMM COCCC(=O)N1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000486757294 490668760 /nfs/dbraw/zinc/66/87/60/490668760.db2.gz BAEKKRNUHCNLJB-UHFFFAOYSA-N -1 1 358.398 0.680 10 0 FCAEMM Cn1nnc(C[N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)n1 ZINC000486820856 490674036 /nfs/dbraw/zinc/67/40/36/490674036.db2.gz LFMPKCJIYFETNF-UHFFFAOYSA-N -1 1 357.395 0.920 10 0 FCAEMM Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cn2)n1 ZINC000512660249 490691903 /nfs/dbraw/zinc/69/19/03/490691903.db2.gz FLAOZQCFDLQZSM-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cn2)n1 ZINC000512660249 490691904 /nfs/dbraw/zinc/69/19/04/490691904.db2.gz FLAOZQCFDLQZSM-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000487401868 490711749 /nfs/dbraw/zinc/71/17/49/490711749.db2.gz SSFHWQLKOCXANF-DTWKUNHWSA-N -1 1 363.461 0.495 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538225175 490720509 /nfs/dbraw/zinc/72/05/09/490720509.db2.gz FCYSITGUXRCFFU-UPJWGTAASA-N -1 1 360.418 0.471 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000514191901 490765335 /nfs/dbraw/zinc/76/53/35/490765335.db2.gz DJAHZQNLZPHTOG-PHIMTYICSA-N -1 1 358.416 0.596 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000514621433 490776519 /nfs/dbraw/zinc/77/65/19/490776519.db2.gz FIRSLWQWYFWFBR-OCCSQVGLSA-N -1 1 364.446 0.868 10 0 FCAEMM CCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1F ZINC000504874709 490813712 /nfs/dbraw/zinc/81/37/12/490813712.db2.gz DLHQEKJSRKAMIH-UHFFFAOYSA-N -1 1 369.374 0.997 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000529592258 490862969 /nfs/dbraw/zinc/86/29/69/490862969.db2.gz VFZBJFMBAISOQZ-OUAUKWLOSA-N -1 1 355.416 0.209 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000529592253 490863015 /nfs/dbraw/zinc/86/30/15/490863015.db2.gz VFZBJFMBAISOQZ-MXWKQRLJSA-N -1 1 355.416 0.209 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000541757183 490871345 /nfs/dbraw/zinc/87/13/45/490871345.db2.gz NAEDTNLODDKNDT-VIFPVBQESA-N -1 1 353.360 0.023 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)[n-]1 ZINC000541757183 490871347 /nfs/dbraw/zinc/87/13/47/490871347.db2.gz NAEDTNLODDKNDT-VIFPVBQESA-N -1 1 353.360 0.023 10 0 FCAEMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)C2)C1 ZINC000543845914 490949334 /nfs/dbraw/zinc/94/93/34/490949334.db2.gz WAGHYSFQHHCGLH-BDJLRTHQSA-N -1 1 369.443 0.696 10 0 FCAEMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)NC[C@H]1CCCO1 ZINC000519073616 490960897 /nfs/dbraw/zinc/96/08/97/490960897.db2.gz QRYUOJGFFUITKZ-GFCCVEGCSA-N -1 1 350.400 0.541 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)NC[C@H]1CCCO1 ZINC000519073616 490960898 /nfs/dbraw/zinc/96/08/98/490960898.db2.gz QRYUOJGFFUITKZ-GFCCVEGCSA-N -1 1 350.400 0.541 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](O)C3CCOCC3)CC2)n1 ZINC000565519677 491381938 /nfs/dbraw/zinc/38/19/38/491381938.db2.gz YIQAFDHAZXEQGE-ZDUSSCGKSA-N -1 1 366.418 0.475 10 0 FCAEMM C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000565873117 491404643 /nfs/dbraw/zinc/40/46/43/491404643.db2.gz TVRDPWYDKSQYRD-WCQYABFASA-N -1 1 364.427 0.929 10 0 FCAEMM C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000565873117 491404646 /nfs/dbraw/zinc/40/46/46/491404646.db2.gz TVRDPWYDKSQYRD-WCQYABFASA-N -1 1 364.427 0.929 10 0 FCAEMM CN(Cc1nnc[nH]1)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000565892688 491405860 /nfs/dbraw/zinc/40/58/60/491405860.db2.gz PPAAQTKMGOKUKC-OLZOCXBDSA-N -1 1 357.370 0.090 10 0 FCAEMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1-n1cnnn1 ZINC000565912167 491406925 /nfs/dbraw/zinc/40/69/25/491406925.db2.gz QNKATJVVHRUVRS-UHFFFAOYSA-N -1 1 355.362 0.383 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C(=O)[O-] ZINC000566241770 491429677 /nfs/dbraw/zinc/42/96/77/491429677.db2.gz JSOSCKNPRNTVPY-VHDGCEQUSA-N -1 1 351.447 0.689 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCO2 ZINC000558695192 491442224 /nfs/dbraw/zinc/44/22/24/491442224.db2.gz VLJQRQTVFBSVTC-NSHDSACASA-N -1 1 356.400 0.633 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCc2nc[nH]c2C1 ZINC000567287152 491497221 /nfs/dbraw/zinc/49/72/21/491497221.db2.gz NBGWQXNXTNHSLC-SECBINFHSA-N -1 1 370.381 0.640 10 0 FCAEMM O=S(=O)(Cc1nnnn1CC(F)(F)F)c1nc(-c2ccccc2)n[n-]1 ZINC000559995196 491513825 /nfs/dbraw/zinc/51/38/25/491513825.db2.gz LNBLFVACTUXOJM-UHFFFAOYSA-N -1 1 373.320 0.994 10 0 FCAEMM O=S(=O)(Cc1nnnn1CC(F)(F)F)c1n[n-]c(-c2ccccc2)n1 ZINC000559995196 491513828 /nfs/dbraw/zinc/51/38/28/491513828.db2.gz LNBLFVACTUXOJM-UHFFFAOYSA-N -1 1 373.320 0.994 10 0 FCAEMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3cc(C)on3)C2=O)n(C)n1 ZINC000560038752 491517898 /nfs/dbraw/zinc/51/78/98/491517898.db2.gz CLUULQKZNSKRFA-LBPRGKRZSA-N -1 1 353.404 0.250 10 0 FCAEMM Cn1cc(-n2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)ccc2=O)cn1 ZINC000562167189 491657133 /nfs/dbraw/zinc/65/71/33/491657133.db2.gz YNHWCOJKLONKAC-UHFFFAOYSA-N -1 1 354.374 0.283 10 0 FCAEMM Cc1ccc(N2CCC(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)CC2)nc1 ZINC000586757106 491731565 /nfs/dbraw/zinc/73/15/65/491731565.db2.gz HLWIXQWZRGCOKM-UHFFFAOYSA-N -1 1 364.431 0.767 10 0 FCAEMM Cc1ccc(N2CCC(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)CC2)nc1 ZINC000586757106 491731566 /nfs/dbraw/zinc/73/15/66/491731566.db2.gz HLWIXQWZRGCOKM-UHFFFAOYSA-N -1 1 364.431 0.767 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)nc2n1 ZINC000588006304 491737117 /nfs/dbraw/zinc/73/71/17/491737117.db2.gz CGQFKCYYXKPPRW-UHFFFAOYSA-N -1 1 352.310 0.204 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3cnc4c(C)cccc4c3=O)nc2n1 ZINC000588006533 491737121 /nfs/dbraw/zinc/73/71/21/491737121.db2.gz MUOMLSYDOOOGDF-UHFFFAOYSA-N -1 1 365.353 0.383 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCCNC(=O)c3ccsc3)nc2n1 ZINC000588006448 491737196 /nfs/dbraw/zinc/73/71/96/491737196.db2.gz JNVCCZPMCWNLBG-UHFFFAOYSA-N -1 1 360.399 0.936 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc2n1 ZINC000588006532 491737216 /nfs/dbraw/zinc/73/72/16/491737216.db2.gz MTYGNQWMUKDWPA-QWRGUYRKSA-N -1 1 372.385 0.230 10 0 FCAEMM COc1cn(-c2ccccc2)nc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000588006860 491737295 /nfs/dbraw/zinc/73/72/95/491737295.db2.gz YQQZOQIBXMGVGM-UHFFFAOYSA-N -1 1 365.353 0.595 10 0 FCAEMM CCO[C@@H]1C[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)[C@@H]1n1cccn1 ZINC000580622410 491738928 /nfs/dbraw/zinc/73/89/28/491738928.db2.gz YIKWFQJUOZVXPB-SCRDCRAPSA-N -1 1 368.415 0.533 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccnn1C ZINC000592091699 491831671 /nfs/dbraw/zinc/83/16/71/491831671.db2.gz KHYXRCXMRPXQQV-CYBMUJFWSA-N -1 1 355.420 0.465 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC000592097740 491831838 /nfs/dbraw/zinc/83/18/38/491831838.db2.gz SIZMLSAXELSSIP-OAHLLOKOSA-N -1 1 367.427 0.900 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ccnn1C ZINC000592097592 491832074 /nfs/dbraw/zinc/83/20/74/491832074.db2.gz QTJVLHFCXKYYAM-ZDUSSCGKSA-N -1 1 351.384 0.548 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000594850235 491866433 /nfs/dbraw/zinc/86/64/33/491866433.db2.gz VQSZCNYGCKYUCI-WCBMZHEXSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC ZINC000594865005 491868229 /nfs/dbraw/zinc/86/82/29/491868229.db2.gz IQGZDSKWVFOSNQ-LLVKDONJSA-N -1 1 354.381 0.499 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000601362501 491908833 /nfs/dbraw/zinc/90/88/33/491908833.db2.gz WCNIEHVUFFOWSH-GOEBONIOSA-N -1 1 366.439 0.974 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)o1 ZINC000601453972 491921778 /nfs/dbraw/zinc/92/17/78/491921778.db2.gz ZAVOFSJUBWPNFK-CHWSQXEVSA-N -1 1 372.443 0.844 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)o1 ZINC000601453975 491921807 /nfs/dbraw/zinc/92/18/07/491921807.db2.gz ZAVOFSJUBWPNFK-STQMWFEESA-N -1 1 372.443 0.844 10 0 FCAEMM CN1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])NC1=O ZINC000613020760 491962849 /nfs/dbraw/zinc/96/28/49/491962849.db2.gz DXXSUPDOPHMMEJ-GFCCVEGCSA-N -1 1 368.415 0.139 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H](O)C1CC1 ZINC000613020506 491962967 /nfs/dbraw/zinc/96/29/67/491962967.db2.gz ADOLNDPHQRGNBK-AWEZNQCLSA-N -1 1 356.400 0.123 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000597625141 492052080 /nfs/dbraw/zinc/05/20/80/492052080.db2.gz GPUJDLWWYJDWSV-JBEBIEQOSA-N -1 1 351.472 0.309 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)o1 ZINC000598155586 492086285 /nfs/dbraw/zinc/08/62/85/492086285.db2.gz AFQNNPGVVKXRJD-OAHLLOKOSA-N -1 1 374.415 0.418 10 0 FCAEMM C[C@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N(C)C ZINC000605446845 492096319 /nfs/dbraw/zinc/09/63/19/492096319.db2.gz NMLFAAQNWMAOIV-LURJTMIESA-N -1 1 352.338 0.886 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605532203 492097831 /nfs/dbraw/zinc/09/78/31/492097831.db2.gz RPTAZJHENKOLBA-LBPRGKRZSA-N -1 1 355.402 0.529 10 0 FCAEMM O=C(c1ncc2ccccc2c1[O-])N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000616474177 492133503 /nfs/dbraw/zinc/13/35/03/492133503.db2.gz JGFQUFXJULSVLA-QGZVFWFLSA-N -1 1 362.407 0.970 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CC)[C@@H](O)C(F)(F)F)on1 ZINC000599269533 492152612 /nfs/dbraw/zinc/15/26/12/492152612.db2.gz RGYSGSNECZJNDL-PSASIEDQSA-N -1 1 374.337 0.973 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(O)CCC(F)(F)CC2)co1 ZINC000620322922 492303401 /nfs/dbraw/zinc/30/34/01/492303401.db2.gz IAKGAEUDMXJZAG-UHFFFAOYSA-N -1 1 352.359 0.858 10 0 FCAEMM COc1cc(NC(=O)C(=O)NCc2nn[n-]n2)c(C2CC2)cc1Cl ZINC000654782782 492351028 /nfs/dbraw/zinc/35/10/28/492351028.db2.gz SKZKHVYMFIVGCJ-UHFFFAOYSA-N -1 1 350.766 0.994 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)CCCC1 ZINC000647898868 492379789 /nfs/dbraw/zinc/37/97/89/492379789.db2.gz RAPKXLDCZVJUDH-CYBMUJFWSA-N -1 1 356.448 0.404 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(=O)N1CCCO1 ZINC000627880562 492412830 /nfs/dbraw/zinc/41/28/30/492412830.db2.gz MOYSAPYNSLOACZ-UHFFFAOYSA-N -1 1 371.397 0.765 10 0 FCAEMM CN1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)S1(=O)=O ZINC000648824307 492462545 /nfs/dbraw/zinc/46/25/45/492462545.db2.gz NZBDWTDBDQYJSW-HNNXBMFYSA-N -1 1 366.439 0.847 10 0 FCAEMM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc3nc(C)cc(=O)n3[n-]1)CO2 ZINC000622871921 492491633 /nfs/dbraw/zinc/49/16/33/492491633.db2.gz NJCINCXOTDUCLG-LLVKDONJSA-N -1 1 355.354 0.924 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622870626 492491764 /nfs/dbraw/zinc/49/17/64/492491764.db2.gz AUXVRTDPXDZIDP-SECBINFHSA-N -1 1 350.404 0.366 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)C1 ZINC000622871578 492492136 /nfs/dbraw/zinc/49/21/36/492492136.db2.gz AJFMAYOADRYEMA-ZYHUDNBSSA-N -1 1 360.418 0.949 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cc4c(cn3)OCCO4)nc2n1 ZINC000622997750 492499048 /nfs/dbraw/zinc/49/90/48/492499048.db2.gz KBJVPOVGURTUBM-UHFFFAOYSA-N -1 1 356.342 0.789 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(-n4cncn4)c(C)c3)nc2n1 ZINC000643909266 492600776 /nfs/dbraw/zinc/60/07/76/492600776.db2.gz OUPAJVXBFPZBFG-UHFFFAOYSA-N -1 1 350.342 0.289 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc2n1 ZINC000643909625 492601240 /nfs/dbraw/zinc/60/12/40/492601240.db2.gz VTQRYNDVCDCOQO-DCAQKATOSA-N -1 1 372.385 0.228 10 0 FCAEMM COc1ccc(NC(=O)NCC[C@]2(O)CCOC2)cc1[N-]S(C)(=O)=O ZINC000650056081 492609430 /nfs/dbraw/zinc/60/94/30/492609430.db2.gz LEYOCPATABXIBT-HNNXBMFYSA-N -1 1 373.431 0.730 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)CCOCC1 ZINC000650194044 492620792 /nfs/dbraw/zinc/62/07/92/492620792.db2.gz IOMFMINWILAWAG-UHFFFAOYSA-N -1 1 368.415 0.599 10 0 FCAEMM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000629565899 492646366 /nfs/dbraw/zinc/64/63/66/492646366.db2.gz ICFFANGETNCHTF-LBPRGKRZSA-N -1 1 365.411 0.331 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)[C@H]1CCOC1 ZINC000656734209 492647599 /nfs/dbraw/zinc/64/75/99/492647599.db2.gz RXWOGYGNVDVGTD-WCQYABFASA-N -1 1 353.404 0.456 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000629578319 492655657 /nfs/dbraw/zinc/65/56/57/492655657.db2.gz XJIQXSAXHYDJBU-CQSZACIVSA-N -1 1 364.423 0.936 10 0 FCAEMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656873132 492656527 /nfs/dbraw/zinc/65/65/27/492656527.db2.gz FGFGKJJYTPGWLX-UHFFFAOYSA-N -1 1 372.266 0.062 10 0 FCAEMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656884584 492659375 /nfs/dbraw/zinc/65/93/75/492659375.db2.gz LFRCPPYEAORQIA-UHFFFAOYSA-N -1 1 350.238 0.991 10 0 FCAEMM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ncccc2Br)O1 ZINC000656934795 492672660 /nfs/dbraw/zinc/67/26/60/492672660.db2.gz LKASPGDHUZZVEL-VXNVDRBHSA-N -1 1 364.221 0.155 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)[C@H]1CCOC1 ZINC000656956498 492678642 /nfs/dbraw/zinc/67/86/42/492678642.db2.gz INOSOYORTBTMLL-JGVFFNPUSA-N -1 1 359.326 0.559 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ncccc2Br)CCO1 ZINC000656966935 492681183 /nfs/dbraw/zinc/68/11/83/492681183.db2.gz WCYKOWLIABGNGI-SNVBAGLBSA-N -1 1 364.265 0.843 10 0 FCAEMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cccc3c2OCCCO3)n1 ZINC000657071276 492709336 /nfs/dbraw/zinc/70/93/36/492709336.db2.gz PSXPEJFUMLGSIK-UHFFFAOYSA-N -1 1 353.356 0.413 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000630898646 492782483 /nfs/dbraw/zinc/78/24/83/492782483.db2.gz YNSMFCIFRCRASN-UHFFFAOYSA-N -1 1 366.784 0.909 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O)[C@@H]1CCOC1 ZINC000625521264 492809645 /nfs/dbraw/zinc/80/96/45/492809645.db2.gz HJMVVBZBSJEMSJ-BPLDGKMQSA-N -1 1 354.428 0.521 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000645573257 492930280 /nfs/dbraw/zinc/93/02/80/492930280.db2.gz UDJGVFVDQFRRBA-ZLKJLUDKSA-N -1 1 356.448 0.258 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)o1 ZINC000652751128 493014933 /nfs/dbraw/zinc/01/49/33/493014933.db2.gz OTXFHUMKGDYSKQ-UHFFFAOYSA-N -1 1 365.415 0.388 10 0 FCAEMM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632548704 493026746 /nfs/dbraw/zinc/02/67/46/493026746.db2.gz VEACBEYLFJTXQC-UONOGXRCSA-N -1 1 363.439 0.257 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)C1CCOCC1 ZINC000647274354 493190043 /nfs/dbraw/zinc/19/00/43/493190043.db2.gz LMAJYLCDUFXDDM-CQSZACIVSA-N -1 1 367.431 0.846 10 0 FCAEMM CC(C)CN1CCO[C@@H](CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC000659392591 493201031 /nfs/dbraw/zinc/20/10/31/493201031.db2.gz IJKAGGMYOKCCDE-JKIFEVAISA-N -1 1 355.435 0.086 10 0 FCAEMM COc1ccc(NC(=O)NC[C@@](C)(CO)OC)cc1[N-]S(C)(=O)=O ZINC000654008387 493202616 /nfs/dbraw/zinc/20/26/16/493202616.db2.gz NKPJVXPZPQLMIH-AWEZNQCLSA-N -1 1 361.420 0.586 10 0 FCAEMM COc1ccc(CNC(=O)CCN(C)Cc2n[n-]c(=O)o2)c(OC)c1 ZINC000660843412 493384127 /nfs/dbraw/zinc/38/41/27/493384127.db2.gz XEVPMBZYJQAOBN-UHFFFAOYSA-N -1 1 350.375 0.931 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCN1CCCS1(=O)=O ZINC000674564217 493428840 /nfs/dbraw/zinc/42/88/40/493428840.db2.gz YSLNIBPXTPZUAG-UHFFFAOYSA-N -1 1 370.475 0.896 10 0 FCAEMM Cc1c[nH]nc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000669437500 493503586 /nfs/dbraw/zinc/50/35/86/493503586.db2.gz KPMSXSAUAMOURY-UHFFFAOYSA-N -1 1 366.399 0.697 10 0 FCAEMM Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000670201442 493552533 /nfs/dbraw/zinc/55/25/33/493552533.db2.gz CZSHMMMRUBMGSM-UHFFFAOYSA-N -1 1 351.370 0.749 10 0 FCAEMM O=C(NC[C@H]1CN2CCN1CCC2)c1nn(-c2ccccc2F)cc1[O-] ZINC000670447116 493568674 /nfs/dbraw/zinc/56/86/74/493568674.db2.gz JVIVIHMRDYKRGI-ZDUSSCGKSA-N -1 1 359.405 0.837 10 0 FCAEMM CCOC(=O)CCS(=O)(=O)[N-][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444291815 535654266 /nfs/dbraw/zinc/65/42/66/535654266.db2.gz WHUBZZPFRIPWFJ-NHYWBVRUSA-N -1 1 365.448 0.606 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106181 546608151 /nfs/dbraw/zinc/60/81/51/546608151.db2.gz RAQFFFYOJACTFG-WCFLWFBJSA-N -1 1 359.448 0.900 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccnn1C ZINC000592092548 546609232 /nfs/dbraw/zinc/60/92/32/546609232.db2.gz QICQAXPWLPCGRN-AWEZNQCLSA-N -1 1 351.384 0.815 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC000593178935 546692786 /nfs/dbraw/zinc/69/27/86/546692786.db2.gz DGSUVXWXSASNNE-UHFFFAOYSA-N -1 1 370.387 0.869 10 0 FCAEMM COC(=O)C(C)(C)n1ccc([N-]S(=O)(=O)N2CCC(OC)CC2)n1 ZINC000594696300 546815915 /nfs/dbraw/zinc/81/59/15/546815915.db2.gz GHZKKIDXARNDAR-UHFFFAOYSA-N -1 1 360.436 0.559 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)o1 ZINC000594790306 546825175 /nfs/dbraw/zinc/82/51/75/546825175.db2.gz COZNLVAKECFORU-UHFFFAOYSA-N -1 1 365.429 0.559 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000594803907 546827211 /nfs/dbraw/zinc/82/72/11/546827211.db2.gz QOYACBZZZDXLCK-GFCCVEGCSA-N -1 1 354.428 0.693 10 0 FCAEMM CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477059666 546942318 /nfs/dbraw/zinc/94/23/18/546942318.db2.gz NPWHPJPYMQVXDL-GFCCVEGCSA-N -1 1 360.443 0.857 10 0 FCAEMM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000552420972 547207469 /nfs/dbraw/zinc/20/74/69/547207469.db2.gz AULJUBIKKHTEBM-LBPRGKRZSA-N -1 1 357.432 0.709 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000553248796 547262460 /nfs/dbraw/zinc/26/24/60/547262460.db2.gz IUHQTJGFJHYCHQ-SNVBAGLBSA-N -1 1 374.488 0.756 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1Cl ZINC000729489799 665718196 /nfs/dbraw/zinc/71/81/96/665718196.db2.gz CFQQYHKATDGVKK-SNVBAGLBSA-N -1 1 374.825 0.835 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)co1 ZINC000899611371 665946894 /nfs/dbraw/zinc/94/68/94/665946894.db2.gz NXGJMTZNYLLSLZ-NSHDSACASA-N -1 1 356.322 0.575 10 0 FCAEMM CC(=O)NCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804858968 663337763 /nfs/dbraw/zinc/33/77/63/663337763.db2.gz LRHYTYRRBWKODU-QXEWZRGKSA-N -1 1 352.357 0.610 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](C(C)C)N1CCN(C)CC1 ZINC000866873034 663472890 /nfs/dbraw/zinc/47/28/90/663472890.db2.gz KKEGAAZUXAIUHN-YEJXKQKISA-N -1 1 354.542 0.211 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2COCCOC2)c(Br)n1C ZINC000311593434 664114259 /nfs/dbraw/zinc/11/42/59/664114259.db2.gz AVHJLEDNJGDGLJ-UHFFFAOYSA-N -1 1 354.226 0.185 10 0 FCAEMM CC1(C)[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C[C@H]1N1CCOCC1 ZINC000867451319 664210301 /nfs/dbraw/zinc/21/03/01/664210301.db2.gz FBJMAMNJFVOKSN-CHWSQXEVSA-N -1 1 365.521 0.582 10 0 FCAEMM CN(CCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C(=O)OC(C)(C)C ZINC000725894612 664227640 /nfs/dbraw/zinc/22/76/40/664227640.db2.gz XPCYNGPAAYZIFT-UHFFFAOYSA-N -1 1 361.424 0.794 10 0 FCAEMM CN(CCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C(=O)OC(C)(C)C ZINC000725894612 664227641 /nfs/dbraw/zinc/22/76/41/664227641.db2.gz XPCYNGPAAYZIFT-UHFFFAOYSA-N -1 1 361.424 0.794 10 0 FCAEMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc2c1O[C@@H](C)C2 ZINC000725894599 664227833 /nfs/dbraw/zinc/22/78/33/664227833.db2.gz XLVCDLQUHLFXNN-ZETCQYMHSA-N -1 1 352.372 0.793 10 0 FCAEMM COc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc2c1O[C@@H](C)C2 ZINC000725894599 664227835 /nfs/dbraw/zinc/22/78/35/664227835.db2.gz XLVCDLQUHLFXNN-ZETCQYMHSA-N -1 1 352.372 0.793 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ncccc2F)C1 ZINC000866945277 665232271 /nfs/dbraw/zinc/23/22/71/665232271.db2.gz KRTHMKMMZXJOOP-CWKPULSASA-N -1 1 350.441 0.752 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475375 666132456 /nfs/dbraw/zinc/13/24/56/666132456.db2.gz JEHRZVDXGVSATM-VIFPVBQESA-N -1 1 374.348 0.854 10 0 FCAEMM C[C@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCS1(=O)=O ZINC000907960414 666172117 /nfs/dbraw/zinc/17/21/17/666172117.db2.gz TWZSRWKBGODVTC-CYBMUJFWSA-N -1 1 370.393 0.871 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)c1Cl ZINC000921323134 666433513 /nfs/dbraw/zinc/43/35/13/666433513.db2.gz DBDOQTBLIFPDEY-UWVGGRQHSA-N -1 1 350.897 0.932 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)Cc1ccc(-n2cccn2)cc1 ZINC000921380028 666442299 /nfs/dbraw/zinc/44/22/99/666442299.db2.gz AIEZTIVHPOAJFJ-HNNXBMFYSA-N -1 1 367.427 0.870 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCS(=O)(=O)C1 ZINC000921466030 666449236 /nfs/dbraw/zinc/44/92/36/666449236.db2.gz SDAMNLYKPLOOAX-GFCCVEGCSA-N -1 1 373.374 0.586 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCS(=O)(=O)C1 ZINC000921467086 666449975 /nfs/dbraw/zinc/44/99/75/666449975.db2.gz ODGQOYCFYZMJAZ-LBPRGKRZSA-N -1 1 371.839 0.961 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 ZINC000730281644 666622266 /nfs/dbraw/zinc/62/22/66/666622266.db2.gz PRAKCEIIFYPIKH-MRVPVSSYSA-N -1 1 367.362 0.339 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)[n-]1 ZINC000730281644 666622267 /nfs/dbraw/zinc/62/22/67/666622267.db2.gz PRAKCEIIFYPIKH-MRVPVSSYSA-N -1 1 367.362 0.339 10 0 FCAEMM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1occc1Br ZINC000916260693 666997040 /nfs/dbraw/zinc/99/70/40/666997040.db2.gz PYRBRRVMZNOMGQ-MRVPVSSYSA-N -1 1 350.194 0.788 10 0 FCAEMM CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735635754 667037719 /nfs/dbraw/zinc/03/77/19/667037719.db2.gz ILKMQYJFRUQGDJ-UHFFFAOYSA-N -1 1 354.411 0.447 10 0 FCAEMM NC(=O)NCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000735810243 667050399 /nfs/dbraw/zinc/05/03/99/667050399.db2.gz WHNUSJFJMNVRRJ-UHFFFAOYSA-N -1 1 362.411 0.886 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](O)C2CCOCC2)cc1 ZINC000735947625 667060870 /nfs/dbraw/zinc/06/08/70/667060870.db2.gz MFOPFQSUASPUJH-HNNXBMFYSA-N -1 1 351.355 0.282 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCCC1(OC)OC)[C@@H]1CCOC1 ZINC000918062086 667098737 /nfs/dbraw/zinc/09/87/37/667098737.db2.gz ZHRUFKPEGVUPNK-MCIONIFRSA-N -1 1 351.465 0.889 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1ccc(Cl)nc1F ZINC000918377916 667116925 /nfs/dbraw/zinc/11/69/25/667116925.db2.gz NBQOTQNTZMNFJK-UHFFFAOYSA-N -1 1 365.814 0.254 10 0 FCAEMM O=C(CN1CCN(C(=O)c2c([O-])cccc2Cl)CC1)N1CCOCC1 ZINC000920430986 667243238 /nfs/dbraw/zinc/24/32/38/667243238.db2.gz IYRVNXIEMOCCGF-UHFFFAOYSA-N -1 1 367.833 0.662 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)n1 ZINC000921058134 667266530 /nfs/dbraw/zinc/26/65/30/667266530.db2.gz FSXQGJCSHAORBA-MRVPVSSYSA-N -1 1 354.354 0.586 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)co1 ZINC000756569122 667679183 /nfs/dbraw/zinc/67/91/83/667679183.db2.gz ATBJLKLSTQMEAL-UWVGGRQHSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnn(C)n2)c(F)cc1Cl ZINC000805100462 667679208 /nfs/dbraw/zinc/67/92/08/667679208.db2.gz AGJTZKRINZGXIZ-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OC2CCN(c3ccncn3)CC2)co1 ZINC000756586081 667679514 /nfs/dbraw/zinc/67/95/14/667679514.db2.gz RWRZJOMLGKVBAQ-UHFFFAOYSA-N -1 1 366.399 0.804 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805183143 667812059 /nfs/dbraw/zinc/81/20/59/667812059.db2.gz AVBAPRIIIZXRGY-GMOBBJLQSA-N -1 1 364.368 0.704 10 0 FCAEMM CCOCCOCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923256374 667819787 /nfs/dbraw/zinc/81/97/87/667819787.db2.gz XTKUUBORSQVCBD-QWRGUYRKSA-N -1 1 356.341 0.636 10 0 FCAEMM COC[C@@]1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)CCOC1 ZINC000838260260 667926768 /nfs/dbraw/zinc/92/67/68/667926768.db2.gz RPDKQLBJCOXUAN-KRWDZBQOSA-N -1 1 351.355 0.548 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000762971765 667939348 /nfs/dbraw/zinc/93/93/48/667939348.db2.gz FBZRYWVHJHPTTR-LBPRGKRZSA-N -1 1 351.388 0.207 10 0 FCAEMM C[C@@H](CN(C)C(=O)C=Cc1ccc(NS(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000774001864 668117596 /nfs/dbraw/zinc/11/75/96/668117596.db2.gz ISBJQSQDSWGKBT-WDDYJBPVSA-N -1 1 364.431 0.847 10 0 FCAEMM O=C(Cn1cc(-c2ccccc2)nn1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563160 668272314 /nfs/dbraw/zinc/27/23/14/668272314.db2.gz HIYDQZZXMSKOIG-ZDUSSCGKSA-N -1 1 356.415 0.775 10 0 FCAEMM Cn1c(Cl)ncc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000776628668 668280554 /nfs/dbraw/zinc/28/05/54/668280554.db2.gz TZAAIYOWUQFKQY-SECBINFHSA-N -1 1 350.828 0.291 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC(SCC(=O)NCc2nn[n-]n2)CC1 ZINC000778787130 668388137 /nfs/dbraw/zinc/38/81/37/668388137.db2.gz OIUUUAQOGCLSJP-UHFFFAOYSA-N -1 1 356.452 0.949 10 0 FCAEMM CCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795777034 669061711 /nfs/dbraw/zinc/06/17/11/669061711.db2.gz ZYKGPQCNYMCBCN-UHFFFAOYSA-N -1 1 352.771 0.680 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(F)cc1Cl ZINC000795897773 669070077 /nfs/dbraw/zinc/07/00/77/669070077.db2.gz JHFJRPKSDWSEAS-CYBMUJFWSA-N -1 1 367.782 0.695 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)c1Cl ZINC000796177299 669084910 /nfs/dbraw/zinc/08/49/10/669084910.db2.gz LRWOQHYHFMVOCN-SECBINFHSA-N -1 1 370.884 0.166 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCSC1 ZINC000867020541 669176768 /nfs/dbraw/zinc/17/67/68/669176768.db2.gz MUQKFRPIUPLXMF-JTQLQIEISA-N -1 1 373.378 0.766 10 0 FCAEMM O=C(Nc1cc(Cl)ccc1C(F)(F)F)C(=O)NN1CC(=O)[N-]C1=O ZINC000807062212 669466552 /nfs/dbraw/zinc/46/65/52/669466552.db2.gz ONIPOIYIGRGMJP-UHFFFAOYSA-N -1 1 364.667 0.880 10 0 FCAEMM C[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707649 669509760 /nfs/dbraw/zinc/50/97/60/669509760.db2.gz VVFRWIMFVONBRE-QXEWZRGKSA-N -1 1 373.397 0.182 10 0 FCAEMM C[C@H]1CCN(C(=O)CN2CCCNC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807708081 669509780 /nfs/dbraw/zinc/50/97/80/669509780.db2.gz LKGBDNUJUJTWBG-NHCYSSNCSA-N -1 1 364.368 0.706 10 0 FCAEMM CS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(Cl)cn1 ZINC000828082445 669615291 /nfs/dbraw/zinc/61/52/91/669615291.db2.gz FKSDVKBVAYVRTP-UHFFFAOYSA-N -1 1 370.822 0.851 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1ccnn1C ZINC000828133267 669619102 /nfs/dbraw/zinc/61/91/02/669619102.db2.gz WHJTWCAEZNVCRY-CYBMUJFWSA-N -1 1 353.404 0.146 10 0 FCAEMM COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810584946 669690453 /nfs/dbraw/zinc/69/04/53/669690453.db2.gz XXCXUSBVHFDIJA-CQSZACIVSA-N -1 1 352.428 0.598 10 0 FCAEMM O=c1cc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccc([O-])cc2o1 ZINC000830026412 669744995 /nfs/dbraw/zinc/74/49/95/669744995.db2.gz HNVPKOJYHUTASY-KRWDZBQOSA-N -1 1 365.407 0.888 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000812354877 669800184 /nfs/dbraw/zinc/80/01/84/669800184.db2.gz MTQBHCKAEOTZOJ-UHFFFAOYSA-N -1 1 361.851 1.000 10 0 FCAEMM COCCOc1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)ccn1 ZINC000843014458 670766576 /nfs/dbraw/zinc/76/65/76/670766576.db2.gz GDBHCZQROIOHKO-UHFFFAOYSA-N -1 1 371.459 0.651 10 0 FCAEMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014483 670766733 /nfs/dbraw/zinc/76/67/33/670766733.db2.gz GXEDNEZYRWHWKU-GFCCVEGCSA-N -1 1 361.508 0.858 10 0 FCAEMM COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843017017 670767189 /nfs/dbraw/zinc/76/71/89/670767189.db2.gz YJMIBUDFSGOBLT-OLZOCXBDSA-N -1 1 360.476 0.896 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCC1 ZINC000843018579 670768676 /nfs/dbraw/zinc/76/86/76/670768676.db2.gz YLXNLZSMDUPSTF-ZDUSSCGKSA-N -1 1 371.503 0.708 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCNC(=O)c2ccco2)CCC1 ZINC000843019374 670769336 /nfs/dbraw/zinc/76/93/36/670769336.db2.gz QMDHDCKHXCILOZ-UHFFFAOYSA-N -1 1 357.432 0.330 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(NC(N)=O)cc2)CCC1 ZINC000843019226 670769381 /nfs/dbraw/zinc/76/93/81/670769381.db2.gz MNMPCJPZKHSOCH-UHFFFAOYSA-N -1 1 354.432 0.721 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000846004778 671066291 /nfs/dbraw/zinc/06/62/91/671066291.db2.gz VNSOAIXAIMNWBK-UHFFFAOYSA-N -1 1 366.342 0.440 10 0 FCAEMM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867408085 671093987 /nfs/dbraw/zinc/09/39/87/671093987.db2.gz ZKHRFDLZKIKDAF-UHFFFAOYSA-N -1 1 363.383 0.542 10 0 FCAEMM Cn1ncc(CCC[N-]S(=O)(=O)c2ncccc2Br)n1 ZINC000849394847 671335578 /nfs/dbraw/zinc/33/55/78/671335578.db2.gz HGVUAMGNNVSDHN-UHFFFAOYSA-N -1 1 360.237 0.884 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000849431539 671342677 /nfs/dbraw/zinc/34/26/77/671342677.db2.gz AKQQVPCUKOHMJT-IMTBSYHQSA-N -1 1 355.199 0.997 10 0 FCAEMM CN(C)C(=O)OCC[N-]S(=O)(=O)c1ncccc1Br ZINC000849445740 671346730 /nfs/dbraw/zinc/34/67/30/671346730.db2.gz AKWADZUDCKXQHF-UHFFFAOYSA-N -1 1 352.210 0.821 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(F)cc1Cl ZINC000849469395 671350679 /nfs/dbraw/zinc/35/06/79/671350679.db2.gz DGODYBZZBSNAGV-ZETCQYMHSA-N -1 1 364.782 0.823 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1C ZINC000851701757 671461128 /nfs/dbraw/zinc/46/11/28/671461128.db2.gz HYEPSNSXPLYDQY-WCBMZHEXSA-N -1 1 362.308 0.465 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)c1Cl ZINC000851834350 671472370 /nfs/dbraw/zinc/47/23/70/671472370.db2.gz VLMGOFMJJOIXIE-JTQLQIEISA-N -1 1 361.855 0.642 10 0 FCAEMM C[C@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851882849 671476236 /nfs/dbraw/zinc/47/62/36/671476236.db2.gz IRDCTYIZCFAMEU-CHWFTXMASA-N -1 1 358.382 0.883 10 0 FCAEMM COC(=O)CC1(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC000852733820 671520416 /nfs/dbraw/zinc/52/04/16/671520416.db2.gz ZTGLHOFNMXSMFK-MWLCHTKSSA-N -1 1 366.336 0.926 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCN1CCCC1=O ZINC000852735410 671521696 /nfs/dbraw/zinc/52/16/96/671521696.db2.gz HQTCUQYFBWUXCO-ONGXEEELSA-N -1 1 351.325 0.205 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CCN1CCCC1=O ZINC000852735410 671521699 /nfs/dbraw/zinc/52/16/99/671521699.db2.gz HQTCUQYFBWUXCO-ONGXEEELSA-N -1 1 351.325 0.205 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccncc1 ZINC000852959082 671534173 /nfs/dbraw/zinc/53/41/73/671534173.db2.gz WYIMMYWUHUJOJF-JQWIXIFHSA-N -1 1 359.304 0.747 10 0 FCAEMM CNC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853862129 671559291 /nfs/dbraw/zinc/55/92/91/671559291.db2.gz NCIDNPQHYPNVNH-VXGBXAGGSA-N -1 1 357.332 0.796 10 0 FCAEMM C[C@@H]1CCN(c2nc3c(cnn3C)c(N)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853986978 671562968 /nfs/dbraw/zinc/56/29/68/671562968.db2.gz WUJMCQOZEHPHRC-APPZFPTMSA-N -1 1 357.340 0.839 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@@](C)(C(F)F)C3)ccnc1-2 ZINC000853999887 671563358 /nfs/dbraw/zinc/56/33/58/671563358.db2.gz RNUNMWNNJXLCBG-OAHLLOKOSA-N -1 1 353.329 0.163 10 0 FCAEMM CCOC(=O)C[C@H](CO)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000854543135 671582720 /nfs/dbraw/zinc/58/27/20/671582720.db2.gz VBQMHQLTZYVPIQ-LLVKDONJSA-N -1 1 350.375 0.025 10 0 FCAEMM CC(C)O[N-]C(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000854755040 671600349 /nfs/dbraw/zinc/60/03/49/671600349.db2.gz XCIVTUWRJKVQGB-NSHDSACASA-N -1 1 362.448 0.724 10 0 FCAEMM NC(=O)CC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170746 671679315 /nfs/dbraw/zinc/67/93/15/671679315.db2.gz KXXHABZPEPFUAF-VXGBXAGGSA-N -1 1 357.332 0.925 10 0 FCAEMM CO[C@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000856414280 671687089 /nfs/dbraw/zinc/68/70/89/671687089.db2.gz FNLQUBXNIRIJBP-RHYQMDGZSA-N -1 1 352.353 0.953 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000856741086 671697998 /nfs/dbraw/zinc/69/79/98/671697998.db2.gz FLHZIGVYZBBNDE-NSHDSACASA-N -1 1 352.391 0.749 10 0 FCAEMM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000858931248 671783625 /nfs/dbraw/zinc/78/36/25/671783625.db2.gz OGNBKRZRKWXYEB-LURJTMIESA-N -1 1 352.185 0.492 10 0 FCAEMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859138916 671795916 /nfs/dbraw/zinc/79/59/16/671795916.db2.gz OSUORKGRLBTBPX-CPCISQLKSA-N -1 1 369.212 0.801 10 0 FCAEMM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CCN1 ZINC000859189822 671799142 /nfs/dbraw/zinc/79/91/42/671799142.db2.gz IMMUVKZSMRJAPC-SSDOTTSWSA-N -1 1 366.212 0.930 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC)C(OC)OC)on1 ZINC000859215126 671801512 /nfs/dbraw/zinc/80/15/12/671801512.db2.gz ZSQODAODVGOIAU-JTQLQIEISA-N -1 1 350.393 0.668 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)n1 ZINC000859251435 671804326 /nfs/dbraw/zinc/80/43/26/671804326.db2.gz CSBBPNDDBMJPDV-UHFFFAOYSA-N -1 1 360.417 0.633 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)CCS(C)(=O)=O)CCCC(C)(C)C1 ZINC000859297866 671811520 /nfs/dbraw/zinc/81/15/20/671811520.db2.gz DUGYWUODFLEBTQ-CYBMUJFWSA-N -1 1 355.478 0.462 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000860785581 671916278 /nfs/dbraw/zinc/91/62/78/671916278.db2.gz CKOLRESQYSJINI-OUAUKWLOSA-N -1 1 354.411 0.444 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccn(C3CCOCC3)n2)CCC1 ZINC000860847676 671921527 /nfs/dbraw/zinc/92/15/27/671921527.db2.gz OSTZDMFMSVINOD-UHFFFAOYSA-N -1 1 370.475 0.779 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000861727922 671987768 /nfs/dbraw/zinc/98/77/68/671987768.db2.gz ZUXLGUSCXFOWJL-HHKYUTTNSA-N -1 1 365.352 0.323 10 0 FCAEMM CNC(=O)NC[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)CCO1 ZINC000863286086 672109431 /nfs/dbraw/zinc/10/94/31/672109431.db2.gz CMZZIZPOAKBWOF-NSHDSACASA-N -1 1 363.447 0.590 10 0 FCAEMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866500677 672278619 /nfs/dbraw/zinc/27/86/19/672278619.db2.gz YCEUXWOXFPRINS-WHEQGISXSA-N -1 1 361.489 0.698 10 0 FCAEMM COC(=O)CSCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866741258 672295520 /nfs/dbraw/zinc/29/55/20/672295520.db2.gz CHLXSDXCIFXFMU-UHFFFAOYSA-N -1 1 361.367 0.623 10 0 FCAEMM O=S(=O)([N-][C@@H]1COCC[C@H]1O)c1ccc(Br)nc1F ZINC000867689593 672355431 /nfs/dbraw/zinc/35/54/31/672355431.db2.gz OLQSMEARVPMQEP-RNFRBKRXSA-N -1 1 355.185 0.411 10 0 FCAEMM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000867761263 672364430 /nfs/dbraw/zinc/36/44/30/672364430.db2.gz ZLJKQRFEIOQXNF-KGLIPLIRSA-N -1 1 358.460 0.957 10 0 FCAEMM CO[C@H](CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000868760274 672409739 /nfs/dbraw/zinc/40/97/39/672409739.db2.gz UPOUYVPUMIIHRZ-GYSYKLTISA-N -1 1 367.368 0.890 10 0 FCAEMM CN1CCOC[C@H]1CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868812084 672410723 /nfs/dbraw/zinc/41/07/23/672410723.db2.gz VAJYIZUYZAWHBM-ZWNOBZJWSA-N -1 1 352.357 0.170 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000869407569 672431176 /nfs/dbraw/zinc/43/11/76/672431176.db2.gz RWBOUHVWOVAVQK-PBINXNQUSA-N -1 1 365.304 0.409 10 0 FCAEMM COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cncc([O-])c2)CCO1 ZINC000870899521 672517724 /nfs/dbraw/zinc/51/77/24/672517724.db2.gz QPWIZTYAIUPWAP-QGZVFWFLSA-N -1 1 352.387 0.987 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Cl ZINC000800197516 673422298 /nfs/dbraw/zinc/42/22/98/673422298.db2.gz JLYIDMBNMHHOGE-BDAKNGLRSA-N -1 1 370.884 0.070 10 0 FCAEMM O=C(N[C@H]1CCCN2CCSC[C@H]12)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000925170961 673781349 /nfs/dbraw/zinc/78/13/49/673781349.db2.gz OQKGXXDMCGXGHT-QWHCGFSZSA-N -1 1 366.491 0.979 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@@H]12)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000925172810 673781718 /nfs/dbraw/zinc/78/17/18/673781718.db2.gz USANEQNLXJVFEP-UPJWGTAASA-N -1 1 366.491 0.979 10 0 FCAEMM COC(=O)[C@H]1C[C@H](O)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927784352 673881239 /nfs/dbraw/zinc/88/12/39/673881239.db2.gz FLTXQAGBFDYPHP-ONGXEEELSA-N -1 1 358.341 0.778 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000929011850 673937024 /nfs/dbraw/zinc/93/70/24/673937024.db2.gz RTGCXMYWNMXJKD-HRCADAONSA-N -1 1 352.479 0.909 10 0 FCAEMM CN1C[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCC1=O ZINC000930165459 674002366 /nfs/dbraw/zinc/00/23/66/674002366.db2.gz IUVBCOWNTTTWCK-SECBINFHSA-N -1 1 355.341 0.066 10 0 FCAEMM CCc1ncc(Cl)c(C(=O)Nc2[n-]nc(OCCO)c2C(=O)OC)n1 ZINC001648869743 1169087541 /nfs/dbraw/zinc/08/75/41/1169087541.db2.gz WFBNYYREPOZRCZ-UHFFFAOYSA-N -1 1 369.765 0.826 10 0 FCAEMM O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267363074 1179999412 /nfs/dbraw/zinc/99/94/12/1179999412.db2.gz YKNFRVYSTZGZJX-MCIONIFRSA-N -1 1 367.413 0.984 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NC[C@@]12COC(=O)N1CCOC2 ZINC001687373002 1181258237 /nfs/dbraw/zinc/25/82/37/1181258237.db2.gz NHMCAUCOKORTIU-MRXNPFEDSA-N -1 1 371.340 0.733 10 0 FCAEMM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719843741 1186279376 /nfs/dbraw/zinc/27/93/76/1186279376.db2.gz SROFVQLBQHEFPD-RDBSUJKOSA-N -1 1 374.441 0.811 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1c2ccccc2C[C@H]1O ZINC001687389324 1187829184 /nfs/dbraw/zinc/82/91/84/1187829184.db2.gz SBOROTWUYODRRB-GDBMZVCRSA-N -1 1 356.382 0.712 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N(CCCO)Cc1ccccn1 ZINC001687390508 1188312771 /nfs/dbraw/zinc/31/27/71/1188312771.db2.gz AJQKIQMKJBMIEF-UHFFFAOYSA-N -1 1 373.413 0.744 10 0 FCAEMM CO[C@H]1COCC[C@H]1N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687390998 1188352432 /nfs/dbraw/zinc/35/24/32/1188352432.db2.gz PBBGQOBNFVYKSB-OLZOCXBDSA-N -1 1 352.391 0.200 10 0 FCAEMM CCOC[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001687390924 1188352465 /nfs/dbraw/zinc/35/24/65/1188352465.db2.gz NBSGYNMOIBULQG-NSHDSACASA-N -1 1 352.391 0.202 10 0 FCAEMM C[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@H]1CCO ZINC001687391338 1188352732 /nfs/dbraw/zinc/35/27/32/1188352732.db2.gz ZDDXLXOIRLQGGP-RISCZKNCSA-N -1 1 350.419 0.947 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000937527623 1189364651 /nfs/dbraw/zinc/36/46/51/1189364651.db2.gz KOPSDGJXCQRYDE-VPOLOUISSA-N -1 1 362.386 0.368 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CC(=O)N(C)C3)n[nH]2)cc1C ZINC000151075713 1196392432 /nfs/dbraw/zinc/39/24/32/1196392432.db2.gz AHGIXTMKJLPURV-ZDUSSCGKSA-N -1 1 355.398 0.933 10 0 FCAEMM C[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302166 1196418899 /nfs/dbraw/zinc/41/88/99/1196418899.db2.gz PXCOUONEKIWQRP-JTQLQIEISA-N -1 1 360.370 0.952 10 0 FCAEMM CC1(C)[C@H](C(=O)NC[C@H](O)CNCc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1 ZINC001272415552 1197068000 /nfs/dbraw/zinc/06/80/00/1197068000.db2.gz YVHSXMUVMXNGQH-YUELXQCFSA-N -1 1 359.430 0.517 10 0 FCAEMM CN(CC(=O)N1CCN(C)CC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000913684176 1197109015 /nfs/dbraw/zinc/10/90/15/1197109015.db2.gz KAYAMZGEUZXWTG-UHFFFAOYSA-N -1 1 360.389 0.926 10 0 FCAEMM COCCN1CCC[C@@H]1CNC(=O)C(=O)[N-]OCc1ccccc1OC ZINC000804352069 1199119622 /nfs/dbraw/zinc/11/96/22/1199119622.db2.gz ODQZIJWFEZTDOP-OAHLLOKOSA-N -1 1 365.430 0.470 10 0 FCAEMM CCOC(=O)C1(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)CCOCC1 ZINC001129409675 1201299079 /nfs/dbraw/zinc/29/90/79/1201299079.db2.gz YSDBBKWVDGAMAY-UHFFFAOYSA-N -1 1 363.374 0.415 10 0 FCAEMM CC[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1c(C)nn(C)c1C ZINC000806918587 1202788161 /nfs/dbraw/zinc/78/81/61/1202788161.db2.gz DWQIMOBULCMXKL-CYBMUJFWSA-N -1 1 369.429 0.898 10 0 FCAEMM O=C(CNC(=O)c1cccnc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905756 1202954856 /nfs/dbraw/zinc/95/48/56/1202954856.db2.gz VCQRVHICNQHLFR-LLVKDONJSA-N -1 1 372.347 0.729 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000813445490 1202995343 /nfs/dbraw/zinc/99/53/43/1202995343.db2.gz YOHOCDXIXBPZHD-MNOVXSKESA-N -1 1 370.385 0.305 10 0 FCAEMM O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001144254836 1204442687 /nfs/dbraw/zinc/44/26/87/1204442687.db2.gz FXLJHASLLOYACM-CQSZACIVSA-N -1 1 367.369 0.024 10 0 FCAEMM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CN4CCN3CCC4)cc2[n-]c1=S ZINC000773535613 1206309128 /nfs/dbraw/zinc/30/91/28/1206309128.db2.gz VDOCPIPUMHOBTB-CYBMUJFWSA-N -1 1 373.482 0.342 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nn[n-]n1 ZINC001177826691 1206346743 /nfs/dbraw/zinc/34/67/43/1206346743.db2.gz AAWFTVFWFRSDDF-GXTWGEPZSA-N -1 1 373.417 0.019 10 0 FCAEMM CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3nn[nH]n3)CC2)c1 ZINC001197451888 1208168274 /nfs/dbraw/zinc/16/82/74/1208168274.db2.gz ZEUWRHFWTTXGAK-GFCCVEGCSA-N -1 1 371.445 0.841 10 0 FCAEMM CCO[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(C)C ZINC001489359221 1208819002 /nfs/dbraw/zinc/81/90/02/1208819002.db2.gz GNAUABCREXOWLP-YUELXQCFSA-N -1 1 365.430 0.540 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1nccnc1N ZINC001490400473 1209334539 /nfs/dbraw/zinc/33/45/39/1209334539.db2.gz KNNFCQDDJDMJGF-VXGBXAGGSA-N -1 1 370.413 0.688 10 0 FCAEMM CC1(C)C[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001490655868 1209405835 /nfs/dbraw/zinc/40/58/35/1209405835.db2.gz FUSKZMOWBXGHOS-MQYQWHSLSA-N -1 1 374.441 0.221 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001490785059 1209430990 /nfs/dbraw/zinc/43/09/90/1209430990.db2.gz VFPWSUMOICKSNT-LOWDOPEQSA-N -1 1 360.414 0.564 10 0 FCAEMM Cn1nncc1CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000854966019 1209652862 /nfs/dbraw/zinc/65/28/62/1209652862.db2.gz IHOCUHVKLWVVMU-GFCCVEGCSA-N -1 1 367.331 0.994 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000855156335 1209660739 /nfs/dbraw/zinc/66/07/39/1209660739.db2.gz LATXQEQTNSJJRJ-UHFFFAOYSA-N -1 1 355.398 0.991 10 0 FCAEMM CC(C)(C)OC(=O)Cn1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000856440458 1209711546 /nfs/dbraw/zinc/71/15/46/1209711546.db2.gz PGEPMKVNFWAUEO-UHFFFAOYSA-N -1 1 363.374 0.104 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000856456593 1209712168 /nfs/dbraw/zinc/71/21/68/1209712168.db2.gz PXSPGYIDGBPWMQ-HNNXBMFYSA-N -1 1 358.398 0.342 10 0 FCAEMM Cc1cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(C)n1-c1cnccn1 ZINC000859278342 1209815412 /nfs/dbraw/zinc/81/54/12/1209815412.db2.gz PKWAEUNENFVAGI-ZDUSSCGKSA-N -1 1 354.374 0.611 10 0 FCAEMM Cc1cc(NCCNC(=O)CCn2cc[n-]c(=O)c2=O)nc(C(C)C)n1 ZINC000862860284 1209927616 /nfs/dbraw/zinc/92/76/16/1209927616.db2.gz VVNSMMFFBLVHQN-UHFFFAOYSA-N -1 1 360.418 0.377 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)ccnc1-2 ZINC000875633315 1210385124 /nfs/dbraw/zinc/38/51/24/1210385124.db2.gz NGFXODWHMNZJET-BLLLJJGKSA-N -1 1 350.382 0.895 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000777356386 1210993226 /nfs/dbraw/zinc/99/32/26/1210993226.db2.gz XMTGSXLHCZWZPN-ZDUSSCGKSA-N -1 1 361.402 0.459 10 0 FCAEMM CNC(=O)c1cncc(/C=C/C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC001274693895 1211103628 /nfs/dbraw/zinc/10/36/28/1211103628.db2.gz WHAFZOCSKQWODZ-ONEGZZNKSA-N -1 1 353.342 0.133 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927941301 1211593986 /nfs/dbraw/zinc/59/39/86/1211593986.db2.gz PLUGJKQLLZSORE-CVEARBPZSA-N -1 1 361.442 0.994 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927958096 1211594633 /nfs/dbraw/zinc/59/46/33/1211594633.db2.gz DWBVAWWDLSBNNX-JKSUJKDBSA-N -1 1 361.442 0.946 10 0 FCAEMM C[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@H]1CN(C)CCO1 ZINC000930515323 1211711083 /nfs/dbraw/zinc/71/10/83/1211711083.db2.gz KYWCUEDOOGBEMA-ZUZCIYMTSA-N -1 1 371.384 0.164 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000047060105 1211935837 /nfs/dbraw/zinc/93/58/37/1211935837.db2.gz WGARMCPCBWKNSX-SECBINFHSA-N -1 1 371.319 0.900 10 0 FCAEMM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC(O)CC4)nc3)c[n-]c-2n1 ZINC000629763602 1212576527 /nfs/dbraw/zinc/57/65/27/1212576527.db2.gz SPDJJEAKNJNXBJ-UHFFFAOYSA-N -1 1 374.426 0.780 10 0 FCAEMM COCCN1CCCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)CC1 ZINC000900373927 1217983936 /nfs/dbraw/zinc/98/39/36/1217983936.db2.gz JDDHNPWJRYMWSH-UHFFFAOYSA-N -1 1 374.445 0.367 10 0 FCAEMM C[C@H](CN(C)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000783705436 1221215957 /nfs/dbraw/zinc/21/59/57/1221215957.db2.gz YDDKMWSGGCEZMT-LLVKDONJSA-N -1 1 368.438 0.788 10 0 FCAEMM O=C(C=Cc1cnc2ccccc2n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798270435 1221283220 /nfs/dbraw/zinc/28/32/20/1221283220.db2.gz QKJGOMZIVGMGAN-AATRIKPKSA-N -1 1 351.370 0.666 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cn[nH]c1 ZINC001116391032 1221359065 /nfs/dbraw/zinc/35/90/65/1221359065.db2.gz NEPVHKHPXALLLX-LLVKDONJSA-N -1 1 360.418 0.860 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCCn3c(C)cc(=O)cc3C)nc2n1 ZINC001118784692 1221829853 /nfs/dbraw/zinc/82/98/53/1221829853.db2.gz WWBJUZMZXWQZMP-UHFFFAOYSA-N -1 1 356.386 0.923 10 0 FCAEMM CCn1ncc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC001118944246 1221848140 /nfs/dbraw/zinc/84/81/40/1221848140.db2.gz PFLWXQNXCBTMNJ-UHFFFAOYSA-N -1 1 353.386 0.611 10 0 FCAEMM O=C(CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)N1CCCCC1 ZINC001119716919 1221955852 /nfs/dbraw/zinc/95/58/52/1221955852.db2.gz JWBLNHCIUWDZAJ-UHFFFAOYSA-N -1 1 369.368 0.458 10 0 FCAEMM FCC[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001123097623 1222317545 /nfs/dbraw/zinc/31/75/45/1222317545.db2.gz LLTOAIQLGBTBGT-STQMWFEESA-N -1 1 364.429 0.995 10 0 FCAEMM FCC[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2C[C@@H]2CCOC2)C1 ZINC001123097623 1222317552 /nfs/dbraw/zinc/31/75/52/1222317552.db2.gz LLTOAIQLGBTBGT-STQMWFEESA-N -1 1 364.429 0.995 10 0 FCAEMM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001123910138 1222365434 /nfs/dbraw/zinc/36/54/34/1222365434.db2.gz HQFMCTPMHDGBOS-ZDUSSCGKSA-N -1 1 352.398 0.996 10 0 FCAEMM CSc1ncc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c(=O)[n-]1 ZINC001137568148 1222396183 /nfs/dbraw/zinc/39/61/83/1222396183.db2.gz BCVYSVLMOLTYLS-NSHDSACASA-N -1 1 373.394 0.907 10 0 FCAEMM O=C(CCc1nc(-c2ccncc2)no1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001137730260 1222424477 /nfs/dbraw/zinc/42/44/77/1222424477.db2.gz DSVJTCARZGMBJY-LBPRGKRZSA-N -1 1 354.374 0.984 10 0 FCAEMM CCC(CC)(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1nn[n-]n1 ZINC001140070181 1222567060 /nfs/dbraw/zinc/56/70/60/1222567060.db2.gz ODFYDBRBBBJSOK-UHFFFAOYSA-N -1 1 371.445 0.680 10 0 FCAEMM COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000835535376 1222604575 /nfs/dbraw/zinc/60/45/75/1222604575.db2.gz UNVBKAWJBLUYSB-YPMHNXCESA-N -1 1 373.413 0.518 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC2(C1)Oc1ccccc1O2 ZINC001141689364 1222756118 /nfs/dbraw/zinc/75/61/18/1222756118.db2.gz WEHBZLJDFDDETQ-UHFFFAOYSA-N -1 1 355.350 0.917 10 0 FCAEMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001142103144 1222806913 /nfs/dbraw/zinc/80/69/13/1222806913.db2.gz APIMNQXYHUDIQS-ZDUSSCGKSA-N -1 1 371.441 0.620 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3CCC4(CCCC4)O3)ccnc1-2 ZINC000847610526 1245346428 /nfs/dbraw/zinc/34/64/28/1245346428.db2.gz BYFOQAWYDNTLOM-LBPRGKRZSA-N -1 1 357.414 0.888 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C[C@@H]2CCOC2)C[C@H]1F ZINC001516133186 1265537763 /nfs/dbraw/zinc/53/77/63/1265537763.db2.gz RIUSZBIMXJBYCL-GRYCIOLGSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C[C@@H]2CCOC2)C[C@H]1F ZINC001516133186 1265537770 /nfs/dbraw/zinc/53/77/70/1265537770.db2.gz RIUSZBIMXJBYCL-GRYCIOLGSA-N -1 1 350.402 0.603 10 0 FCAEMM Cc1cn2nc(C(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)cc2c(=O)[nH]1 ZINC001520458935 1265919700 /nfs/dbraw/zinc/91/97/00/1265919700.db2.gz DHBODXPDKKPFQP-UHFFFAOYSA-N -1 1 357.292 0.082 10 0 FCAEMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001520594141 1265943579 /nfs/dbraw/zinc/94/35/79/1265943579.db2.gz JLBHFBPQDNRCEY-RHSMWYFYSA-N -1 1 368.441 0.954 10 0 FCAEMM CC(=O)N(CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1C)c1ccccc1 ZINC001520858954 1266023753 /nfs/dbraw/zinc/02/37/53/1266023753.db2.gz SVBPEEMJOLEDHJ-DOMZBBRYSA-N -1 1 370.413 0.577 10 0 FCAEMM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235547086 1259577891 /nfs/dbraw/zinc/57/78/91/1259577891.db2.gz UQVMKXFQOSEWJH-NSHDSACASA-N -1 1 363.418 0.454 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)CCOC1 ZINC001335428427 1259659599 /nfs/dbraw/zinc/65/95/99/1259659599.db2.gz DXJNXEBAPSSDFH-CRAIPNDOSA-N -1 1 366.389 0.637 10 0 FCAEMM COC(=O)NC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001254496548 1259888380 /nfs/dbraw/zinc/88/83/80/1259888380.db2.gz DCOQGKVAFCFHKO-UHFFFAOYSA-N -1 1 365.390 0.285 10 0 FCAEMM O=C(NCc1ccc2nonc2c1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254496558 1259888427 /nfs/dbraw/zinc/88/84/27/1259888427.db2.gz DFUGDPWRVGIJPN-UHFFFAOYSA-N -1 1 356.342 0.791 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCc2n[nH]c(=O)cc2C1 ZINC001254490151 1259888563 /nfs/dbraw/zinc/88/85/63/1259888563.db2.gz WGCLXIIMBJZEBV-UHFFFAOYSA-N -1 1 358.358 0.018 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN2C(=O)N=NC2C1 ZINC001255474590 1259914963 /nfs/dbraw/zinc/91/49/63/1259914963.db2.gz SZTOZNFNBNVJBK-UHFFFAOYSA-N -1 1 367.369 0.022 10 0 FCAEMM CN(C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)c1nn[n-]n1 ZINC001279187798 1260800882 /nfs/dbraw/zinc/80/08/82/1260800882.db2.gz LOORTYNVEUOZTC-UHFFFAOYSA-N -1 1 366.341 0.006 10 0 FCAEMM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ncccc1[O-] ZINC001281119358 1261094499 /nfs/dbraw/zinc/09/44/99/1261094499.db2.gz JGVNWIYPWPWYHG-HZSPNIEDSA-N -1 1 356.382 0.193 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@@H]1O ZINC001281865440 1261242943 /nfs/dbraw/zinc/24/29/43/1261242943.db2.gz CILJNJJWQXWNLC-RTXFEEFZSA-N -1 1 364.446 0.962 10 0 FCAEMM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001281889472 1261260582 /nfs/dbraw/zinc/26/05/82/1261260582.db2.gz KGKGHFXNJPYXHG-OAAFTFSASA-N -1 1 360.414 0.717 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)n1cccc1 ZINC001281914875 1261282816 /nfs/dbraw/zinc/28/28/16/1261282816.db2.gz OZYHKLZTAMXVHY-NFAWXSAZSA-N -1 1 358.398 0.542 10 0 FCAEMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCNC1=O ZINC001282159669 1261361110 /nfs/dbraw/zinc/36/11/10/1261361110.db2.gz XCLKOEZNEOLWGW-VNBZBWLYSA-N -1 1 360.414 0.328 10 0 FCAEMM Cc1nnc(N2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)s1 ZINC001471964560 1261420466 /nfs/dbraw/zinc/42/04/66/1261420466.db2.gz YYBAEYHWOZSPFO-UHFFFAOYSA-N -1 1 362.415 0.026 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)C[C@@H](C)OC)[C@@H]1C ZINC001282369820 1261432152 /nfs/dbraw/zinc/43/21/52/1261432152.db2.gz RRYNYGBZSKQUNJ-BBBLOLIVSA-N -1 1 368.390 0.041 10 0 FCAEMM COc1cnc(C2(NC(=O)CN3CCC(=O)NC3=O)CCCC2)[n-]c1=O ZINC001472110857 1261438295 /nfs/dbraw/zinc/43/82/95/1261438295.db2.gz MWEYKLPOAAQHMW-UHFFFAOYSA-N -1 1 363.374 0.018 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2nscc2Br)n[n-]1 ZINC001472498656 1261471980 /nfs/dbraw/zinc/47/19/80/1261471980.db2.gz RAWZNQYTADCTIH-UHFFFAOYSA-N -1 1 352.195 0.680 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(CN2CCOCC2)cn1 ZINC001472540783 1261472858 /nfs/dbraw/zinc/47/28/58/1261472858.db2.gz ZMPJGPUYCWPESK-UHFFFAOYSA-N -1 1 371.397 0.383 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccnc2-c2cnn(C)c2)n[n-]1 ZINC001472546742 1261474062 /nfs/dbraw/zinc/47/40/62/1261474062.db2.gz XOVQZCWYNXXIOV-UHFFFAOYSA-N -1 1 355.358 0.707 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccnc2-c2cnn(C)c2)n1 ZINC001472546742 1261474065 /nfs/dbraw/zinc/47/40/65/1261474065.db2.gz XOVQZCWYNXXIOV-UHFFFAOYSA-N -1 1 355.358 0.707 10 0 FCAEMM CC(C)=CC(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001282493897 1261485438 /nfs/dbraw/zinc/48/54/38/1261485438.db2.gz CHEJHJGPSFGPIQ-ZIAGYGMSSA-N -1 1 362.430 0.104 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282710651 1261592703 /nfs/dbraw/zinc/59/27/03/1261592703.db2.gz AWQVQVGVGQYWJK-BYNQJWBRSA-N -1 1 372.429 0.716 10 0 FCAEMM CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001282760167 1261615474 /nfs/dbraw/zinc/61/54/74/1261615474.db2.gz LNZLMNXIZMDYBZ-UPJWGTAASA-N -1 1 362.430 0.221 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)CCC1CC1 ZINC001345492997 1261723203 /nfs/dbraw/zinc/72/32/03/1261723203.db2.gz SYUSLWGBBVFSPY-OCCSQVGLSA-N -1 1 362.430 0.223 10 0 FCAEMM CC[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001289921192 1262371244 /nfs/dbraw/zinc/37/12/44/1262371244.db2.gz ZEWMPJYQNQLNRE-YNEHKIRRSA-N -1 1 368.409 0.218 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001290922114 1262535515 /nfs/dbraw/zinc/53/55/15/1262535515.db2.gz BPFIILMYOLLLSP-TZMCWYRMSA-N -1 1 357.414 0.967 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@@H]1CCNC1=O ZINC001291655749 1262574455 /nfs/dbraw/zinc/57/44/55/1262574455.db2.gz PIODURYDJBHZOK-UPJWGTAASA-N -1 1 360.414 0.138 10 0 FCAEMM Cc1noc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])n1 ZINC001291957539 1262620095 /nfs/dbraw/zinc/62/00/95/1262620095.db2.gz WVMUSDKFGFIQOF-AGIUHOORSA-N -1 1 371.397 0.973 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 ZINC001299913842 1262980416 /nfs/dbraw/zinc/98/04/16/1262980416.db2.gz COMXTSMMZGLQCL-INIZCTEOSA-N -1 1 366.381 0.219 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC001300708207 1262995823 /nfs/dbraw/zinc/99/58/23/1262995823.db2.gz PUYRYKGBEZQJNF-UHFFFAOYSA-N -1 1 370.340 0.855 10 0 FCAEMM CN1CCc2c(NC(=O)CNC(=O)c3ncccc3[O-])cccc2C1=O ZINC001300948594 1262998073 /nfs/dbraw/zinc/99/80/73/1262998073.db2.gz FUPOUTVKSXGHSI-UHFFFAOYSA-N -1 1 354.366 0.784 10 0 FCAEMM Cc1nn(-c2cccnc2)nc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302841945 1263061626 /nfs/dbraw/zinc/06/16/26/1263061626.db2.gz KDYJCSYGPZHOPA-UHFFFAOYSA-N -1 1 367.369 0.469 10 0 FCAEMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@@H](c3nn[n-]n3)C1)C2=O ZINC001302935524 1263066106 /nfs/dbraw/zinc/06/61/06/1263066106.db2.gz ASFWNKRJBNOVJY-UVWXRNBGSA-N -1 1 361.406 0.016 10 0 FCAEMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)NCc1nc3c(c(=O)[n-]1)COCC3)C2 ZINC001479135792 1263170942 /nfs/dbraw/zinc/17/09/42/1263170942.db2.gz RRGIKZQDGREMTD-KEYDSSBGSA-N -1 1 362.386 0.396 10 0 FCAEMM Cc1nc([C@H]2CCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)no1 ZINC001479156182 1263172691 /nfs/dbraw/zinc/17/26/91/1263172691.db2.gz IALQUBAJRINPPJ-JTQLQIEISA-N -1 1 360.374 0.645 10 0 FCAEMM COCC[C@]1(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001479156447 1263172708 /nfs/dbraw/zinc/17/27/08/1263172708.db2.gz JBVVWGWLIZTOIJ-INIZCTEOSA-N -1 1 352.391 0.250 10 0 FCAEMM Cc1nc([C@@H]2CCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)no1 ZINC001479156183 1263172782 /nfs/dbraw/zinc/17/27/82/1263172782.db2.gz IALQUBAJRINPPJ-SNVBAGLBSA-N -1 1 360.374 0.645 10 0 FCAEMM C[C@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC[C@H]1O ZINC001479158017 1263174228 /nfs/dbraw/zinc/17/42/28/1263174228.db2.gz QTUZZMJCBZFHEL-CXAGYDPISA-N -1 1 350.419 0.995 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001479730692 1263407954 /nfs/dbraw/zinc/40/79/54/1263407954.db2.gz MHWUWBXVYRBJLD-SFYZADRCSA-N -1 1 371.310 0.775 10 0 FCAEMM O=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001318395686 1263568882 /nfs/dbraw/zinc/56/88/82/1263568882.db2.gz MKKPTSWSYRDZGT-CYBMUJFWSA-N -1 1 353.342 0.576 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCNC(=O)CC1 ZINC001318482173 1263577684 /nfs/dbraw/zinc/57/76/84/1263577684.db2.gz ZWXASTNONYEZOC-UHFFFAOYSA-N -1 1 355.398 0.834 10 0 FCAEMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001321875033 1264086023 /nfs/dbraw/zinc/08/60/23/1264086023.db2.gz BMCFYCNDKRPEBT-XQQFMLRXSA-N -1 1 364.450 0.286 10 0 FCAEMM C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(=O)CC1(C)CC1 ZINC001513258906 1265001322 /nfs/dbraw/zinc/00/13/22/1265001322.db2.gz PGDYPKUPOSLAED-CHWSQXEVSA-N -1 1 362.430 0.080 10 0 FCAEMM COCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001327159255 1265243110 /nfs/dbraw/zinc/24/31/10/1265243110.db2.gz IDQAHLYRDBBLCX-YIYPIFLZSA-N -1 1 369.462 0.075 10 0 FCAEMM COCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001514361465 1265341926 /nfs/dbraw/zinc/34/19/26/1265341926.db2.gz HCTQQEUZSWMIDM-BFHYXJOUSA-N -1 1 365.430 0.996 10 0 FCAEMM CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001332546846 1266427470 /nfs/dbraw/zinc/42/74/70/1266427470.db2.gz JICWZOBLORKEGP-QWQRMKEZSA-N -1 1 359.430 0.397 10 0 FCAEMM C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)nc2)O[C@H]1C(=O)[O-] ZINC001332646446 1266451005 /nfs/dbraw/zinc/45/10/05/1266451005.db2.gz KBVFDMYXMZEFCG-XNRPHZJLSA-N -1 1 362.430 0.328 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCC2CS(=O)(=O)C2)c(=O)[n-]1 ZINC001522364624 1266517244 /nfs/dbraw/zinc/51/72/44/1266517244.db2.gz ZRCPFRYRNNWZTK-UHFFFAOYSA-N -1 1 359.473 0.696 10 0 FCAEMM CN(Cc1ccccc1N1CCOCC1)c1nnc(-c2nnn[n-]2)n1C ZINC001526711522 1266832389 /nfs/dbraw/zinc/83/23/89/1266832389.db2.gz MKZWDPGXBMVSQK-UHFFFAOYSA-N -1 1 355.406 0.468 10 0 FCAEMM CN(Cc1ccccc1N1CCOCC1)c1nnc(-c2nn[n-]n2)n1C ZINC001526711522 1266832399 /nfs/dbraw/zinc/83/23/99/1266832399.db2.gz MKZWDPGXBMVSQK-UHFFFAOYSA-N -1 1 355.406 0.468 10 0 FCAEMM COC(=O)[C@H]1CCCN(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1=O ZINC001528622536 1266983763 /nfs/dbraw/zinc/98/37/63/1266983763.db2.gz CBQRBGLMNQVCGF-NSHDSACASA-N -1 1 362.386 0.411 10 0 FCAEMM CCS(=O)(=O)CCCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001528980096 1267015962 /nfs/dbraw/zinc/01/59/62/1267015962.db2.gz KXHONDHEGQRRNH-UHFFFAOYSA-N -1 1 354.432 0.535 10 0 FCAEMM CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001531240578 1267129527 /nfs/dbraw/zinc/12/95/27/1267129527.db2.gz JCCFJRJSOMQWLA-IUUKEHGRSA-N -1 1 360.414 0.721 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)c2ncccc2[O-])C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001334687710 1267137979 /nfs/dbraw/zinc/13/79/79/1267137979.db2.gz UXGRYHNADVYMIW-BZPMIXESSA-N -1 1 361.398 0.048 10 0 FCAEMM CC(C)C[C@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001532453772 1267171517 /nfs/dbraw/zinc/17/15/17/1267171517.db2.gz HJWBLTQKVIWGMG-ZENOOKHLSA-N -1 1 365.430 0.852 10 0 FCAEMM Cc1nn2c(CN3CCN([C@]4(C(=O)[O-])CCOC4)CC3)c(C)nc2s1 ZINC001334889843 1267219567 /nfs/dbraw/zinc/21/95/67/1267219567.db2.gz QRDOEZMVKUDEEA-MRXNPFEDSA-N -1 1 365.459 0.769 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC001541043785 1267475242 /nfs/dbraw/zinc/47/52/42/1267475242.db2.gz ZGFNMOPSELRNKU-UHFFFAOYSA-N -1 1 373.409 0.420 10 0 FCAEMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCc1nn[n-]n1 ZINC001542576516 1267499984 /nfs/dbraw/zinc/49/99/84/1267499984.db2.gz OIPOVMUDYPIHON-UHFFFAOYSA-N -1 1 359.390 0.578 10 0 FCAEMM CCn1ncc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1Br ZINC001542946016 1267515131 /nfs/dbraw/zinc/51/51/31/1267515131.db2.gz DDJIRJWXHHVKSK-QMMMGPOBSA-N -1 1 356.184 0.392 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCNc1ncccc1C(F)(F)F ZINC001544538002 1267584215 /nfs/dbraw/zinc/58/42/15/1267584215.db2.gz KGIJEPACKNFGQF-UHFFFAOYSA-N -1 1 371.319 0.569 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)N[C@@](C)(CCF)C(=O)[O-])cn2)CC1 ZINC001339494578 1268251732 /nfs/dbraw/zinc/25/17/32/1268251732.db2.gz ZMRPFEDCMRIYHZ-KRWDZBQOSA-N -1 1 367.425 0.836 10 0 FCAEMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001340109437 1268438741 /nfs/dbraw/zinc/43/87/41/1268438741.db2.gz HAPLCQLQRIXZRD-MRVPVSSYSA-N -1 1 372.428 0.354 10 0 FCAEMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001340109437 1268438743 /nfs/dbraw/zinc/43/87/43/1268438743.db2.gz HAPLCQLQRIXZRD-MRVPVSSYSA-N -1 1 372.428 0.354 10 0 FCAEMM CCC(CC)(NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1nn[n-]n1 ZINC001556495162 1268860919 /nfs/dbraw/zinc/86/09/19/1268860919.db2.gz VHSYAACHRCCBSU-UHFFFAOYSA-N -1 1 371.401 0.697 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(OC)[C@H](C)C(=O)OC(C)(C)C)o1 ZINC001557992749 1268999299 /nfs/dbraw/zinc/99/92/99/1268999299.db2.gz ZLHPVYFJEHGYOW-SECBINFHSA-N -1 1 362.404 0.922 10 0 FCAEMM CCn1c2ccc(C(=O)N(Cc3nn[n-]n3)CC(C)C)cc2[nH]c(=O)c1=O ZINC001558161635 1269038287 /nfs/dbraw/zinc/03/82/87/1269038287.db2.gz CVZTUMYQEHPUID-UHFFFAOYSA-N -1 1 371.401 0.521 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001558173298 1269046414 /nfs/dbraw/zinc/04/64/14/1269046414.db2.gz KDRJTGQXFYAXMB-QMTHXVAHSA-N -1 1 371.319 0.506 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)o1 ZINC001558222858 1269056986 /nfs/dbraw/zinc/05/69/86/1269056986.db2.gz XGDYRBVVJARHLW-RYUDHWBXSA-N -1 1 374.415 0.180 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]c1=O ZINC001558500022 1269101969 /nfs/dbraw/zinc/10/19/69/1269101969.db2.gz FVZDSOYVUFCFAT-SNVBAGLBSA-N -1 1 374.401 0.329 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccccc2N2CCCC2=O)n1 ZINC001558922130 1269153888 /nfs/dbraw/zinc/15/38/88/1269153888.db2.gz PVVMEHZLYBVTPL-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2N2CCCC2=O)[n-]1 ZINC001558922130 1269153893 /nfs/dbraw/zinc/15/38/93/1269153893.db2.gz PVVMEHZLYBVTPL-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM Cc1ccccc1C[C@@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248203 1269458965 /nfs/dbraw/zinc/45/89/65/1269458965.db2.gz ODUDXMLOIIJDPD-AWEZNQCLSA-N -1 1 372.425 0.966 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCOC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001566009795 1269547390 /nfs/dbraw/zinc/54/73/90/1269547390.db2.gz UICGWNANAGHYSA-HZSPNIEDSA-N -1 1 351.451 0.394 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1C/C=C\Cl ZINC001566016227 1269554487 /nfs/dbraw/zinc/55/44/87/1269554487.db2.gz FSWMPYKBAGJLLD-KCFFJKCSSA-N -1 1 355.826 0.937 10 0 FCAEMM CO[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001342842959 1269637948 /nfs/dbraw/zinc/63/79/48/1269637948.db2.gz VCRFWHIOPUNJKF-UKRRQHHQSA-N -1 1 365.430 0.948 10 0 FCAEMM COc1ccccc1[C@@H](O)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001566777481 1269664364 /nfs/dbraw/zinc/66/43/64/1269664364.db2.gz AUIXIQHPRRYOAI-CQSZACIVSA-N -1 1 352.368 0.720 10 0 FCAEMM CCNC(=O)OC[C@H]1CCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001568926171 1269755035 /nfs/dbraw/zinc/75/50/35/1269755035.db2.gz WUFSCLMXYKDFQS-GFCCVEGCSA-N -1 1 364.402 0.644 10 0 FCAEMM Cc1nonc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344315998 1270146678 /nfs/dbraw/zinc/14/66/78/1270146678.db2.gz YXABTIWGRJASTE-NWDGAFQWSA-N -1 1 359.386 0.736 10 0 FCAEMM CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OCC ZINC001573213151 1270676828 /nfs/dbraw/zinc/67/68/28/1270676828.db2.gz SFCOHHQSZJFHKT-UMVBOHGHSA-N -1 1 365.430 0.806 10 0 FCAEMM C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001573264107 1270718265 /nfs/dbraw/zinc/71/82/65/1270718265.db2.gz FEBHYIIBYIGTJW-XZCZDBQJSA-N -1 1 358.402 0.493 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCCC(N)=O ZINC001573264110 1270718299 /nfs/dbraw/zinc/71/82/99/1270718299.db2.gz FPEZZMUSDKLUJZ-QWHCGFSZSA-N -1 1 362.430 0.942 10 0 FCAEMM CCOCCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001573518829 1270807161 /nfs/dbraw/zinc/80/71/61/1270807161.db2.gz JMMLBWSEDLCZRB-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CC(C)[C@H](F)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001573572394 1270833801 /nfs/dbraw/zinc/83/38/01/1270833801.db2.gz DXVUNTGJCZLWAM-DYEKYZERSA-N -1 1 368.409 0.026 10 0 FCAEMM CC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001574306110 1271182682 /nfs/dbraw/zinc/18/26/82/1271182682.db2.gz XAVURYJZEBUVJY-MQYQWHSLSA-N -1 1 362.430 0.221 10 0 FCAEMM COCCN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001716717211 1287387818 /nfs/dbraw/zinc/38/78/18/1287387818.db2.gz MXVJCXLZEZNEMD-LSDHHAIUSA-N -1 1 363.462 0.996 10 0 FCAEMM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001717319131 1287417407 /nfs/dbraw/zinc/41/74/07/1287417407.db2.gz WKXLDPBCJRRPLX-HZSPNIEDSA-N -1 1 361.446 0.556 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC001631948728 1282143324 /nfs/dbraw/zinc/14/33/24/1282143324.db2.gz ORWPPJJYMJIUMT-SECBINFHSA-N -1 1 371.353 0.425 10 0 FCAEMM C[C@@H](CN(C)C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001632363292 1282171752 /nfs/dbraw/zinc/17/17/52/1282171752.db2.gz DVKFQUZLAVYSSA-YUMQZZPRSA-N -1 1 369.476 0.427 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001584765390 1282174391 /nfs/dbraw/zinc/17/43/91/1282174391.db2.gz PAGGCWSARKJUGA-XQQFMLRXSA-N -1 1 370.413 0.185 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCc3nn[n-]n3)C2)C1 ZINC001632466808 1282179793 /nfs/dbraw/zinc/17/97/93/1282179793.db2.gz FHVOWRGNPNQKNT-MRXNPFEDSA-N -1 1 350.423 0.992 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[n-]c1Cl ZINC001584880332 1282179952 /nfs/dbraw/zinc/17/99/52/1282179952.db2.gz YXNIBTJHGYFKNN-LBPRGKRZSA-N -1 1 364.811 0.650 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001584873256 1282180067 /nfs/dbraw/zinc/18/00/67/1282180067.db2.gz DFBHFCBDWBVZBT-UHFFFAOYSA-N -1 1 363.374 0.459 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CNC(=O)CC2CCCC2)n[n-]1 ZINC001632567220 1282186409 /nfs/dbraw/zinc/18/64/09/1282186409.db2.gz FXIGLRKZNDAHSY-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CNC(=O)CC2CCCC2)[n-]1 ZINC001632567220 1282186410 /nfs/dbraw/zinc/18/64/10/1282186410.db2.gz FXIGLRKZNDAHSY-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CNC(=O)CC2CCCC2)n1 ZINC001632567220 1282186415 /nfs/dbraw/zinc/18/64/15/1282186415.db2.gz FXIGLRKZNDAHSY-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001633270343 1282238311 /nfs/dbraw/zinc/23/83/11/1282238311.db2.gz KUSWUYKGKSVPHW-CYBMUJFWSA-N -1 1 368.319 0.851 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001633586978 1282257644 /nfs/dbraw/zinc/25/76/44/1282257644.db2.gz VRXWYRSDTWAYEY-UHFFFAOYSA-N -1 1 355.333 0.694 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001633669757 1282263718 /nfs/dbraw/zinc/26/37/18/1282263718.db2.gz LWPFEFBMTLQZSI-DTWKUNHWSA-N -1 1 360.461 0.227 10 0 FCAEMM CCOC(=O)[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccccc1 ZINC001633895635 1282281923 /nfs/dbraw/zinc/28/19/23/1282281923.db2.gz LVJMWNJXDKVEHZ-ZDUSSCGKSA-N -1 1 359.386 0.357 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001634405927 1282326979 /nfs/dbraw/zinc/32/69/79/1282326979.db2.gz HUHOAMBQRYOPJS-SNVBAGLBSA-N -1 1 354.325 0.218 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC4(C3)C[C@H](O)CNC4=O)c2)o1 ZINC001634493070 1282334096 /nfs/dbraw/zinc/33/40/96/1282334096.db2.gz ZPEIOUWEYOHMGF-LBPRGKRZSA-N -1 1 370.361 0.788 10 0 FCAEMM COC(=O)c1ccc(C=CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001588033428 1282399794 /nfs/dbraw/zinc/39/97/94/1282399794.db2.gz WKBQLLKRFMNXKV-HWKANZROSA-N -1 1 359.338 0.964 10 0 FCAEMM Cc1cc(C2(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)CCOCC2)on1 ZINC001636327625 1282486904 /nfs/dbraw/zinc/48/69/04/1282486904.db2.gz UIRNKGSWVDXCLV-UHFFFAOYSA-N -1 1 374.397 0.916 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC001637058512 1282556103 /nfs/dbraw/zinc/55/61/03/1282556103.db2.gz UXHXITLKRNSTHY-UHFFFAOYSA-N -1 1 371.445 0.533 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC001637054876 1282557338 /nfs/dbraw/zinc/55/73/38/1282557338.db2.gz VUIBPWWRXFMOSY-UHFFFAOYSA-N -1 1 356.383 0.285 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1cnn(CCO)c1 ZINC001637134941 1282566921 /nfs/dbraw/zinc/56/69/21/1282566921.db2.gz NUZBUNDNEZZTLK-UHFFFAOYSA-N -1 1 366.399 0.274 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@H](Cn2ccnn2)C1 ZINC001637889870 1282633458 /nfs/dbraw/zinc/63/34/58/1282633458.db2.gz CMVHOIGZILAJMQ-NSHDSACASA-N -1 1 359.390 0.078 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908884 1282639024 /nfs/dbraw/zinc/63/90/24/1282639024.db2.gz AMAQBKLWQYZOOT-NXEZZACHSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908884 1282639036 /nfs/dbraw/zinc/63/90/36/1282639036.db2.gz AMAQBKLWQYZOOT-NXEZZACHSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908884 1282639050 /nfs/dbraw/zinc/63/90/50/1282639050.db2.gz AMAQBKLWQYZOOT-NXEZZACHSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC001639228216 1282760711 /nfs/dbraw/zinc/76/07/11/1282760711.db2.gz MFBRQJZEJMFZOQ-CABZTGNLSA-N -1 1 362.379 0.551 10 0 FCAEMM CS(=O)(=O)Cc1nc(CNC(=O)c2cc(F)c(F)c([O-])c2F)n[nH]1 ZINC001639376582 1282777988 /nfs/dbraw/zinc/77/79/88/1282777988.db2.gz FAHVJAKHPJGKAS-UHFFFAOYSA-N -1 1 364.305 0.402 10 0 FCAEMM COC(=O)[C@@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C[C@@H]1c1ccccc1 ZINC001639431715 1282787261 /nfs/dbraw/zinc/78/72/61/1282787261.db2.gz BRSVFGRARKVWPH-ACJLOTCBSA-N -1 1 371.397 0.357 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCNc1ncnc2sccc21 ZINC001640205427 1282846101 /nfs/dbraw/zinc/84/61/01/1282846101.db2.gz GEFFLVXMWGNDRC-UHFFFAOYSA-N -1 1 372.410 0.750 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n[n-]1 ZINC001640225332 1282848161 /nfs/dbraw/zinc/84/81/61/1282848161.db2.gz KPVZZPQMWHVXRD-WDEREUQCSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)[n-]1 ZINC001640225332 1282848175 /nfs/dbraw/zinc/84/81/75/1282848175.db2.gz KPVZZPQMWHVXRD-WDEREUQCSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1 ZINC001640225332 1282848190 /nfs/dbraw/zinc/84/81/90/1282848190.db2.gz KPVZZPQMWHVXRD-WDEREUQCSA-N -1 1 351.407 0.807 10 0 FCAEMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001640613487 1282882140 /nfs/dbraw/zinc/88/21/40/1282882140.db2.gz VMOJROOPOXJYLV-ZETCQYMHSA-N -1 1 360.342 0.709 10 0 FCAEMM Cn1nccc1[C@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001641143811 1282926819 /nfs/dbraw/zinc/92/68/19/1282926819.db2.gz QIHXGSSSBJFPAY-QGZVFWFLSA-N -1 1 373.413 0.223 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](c2nnc(N)o2)C1 ZINC001641507936 1282957905 /nfs/dbraw/zinc/95/79/05/1282957905.db2.gz SRKAWUIOTHMVSN-LLVKDONJSA-N -1 1 371.401 0.966 10 0 FCAEMM CC(C)=CC(=O)NCc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC001642264127 1282994970 /nfs/dbraw/zinc/99/49/70/1282994970.db2.gz REMGHOODYNKBDK-OAHLLOKOSA-N -1 1 370.413 0.996 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001683595260 1284052487 /nfs/dbraw/zinc/05/24/87/1284052487.db2.gz WMBREGCULSQDPY-KGLIPLIRSA-N -1 1 364.402 0.344 10 0 FCAEMM CC/C=C(/C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001683740343 1284103616 /nfs/dbraw/zinc/10/36/16/1284103616.db2.gz JQOGNWMDFRALMS-BZGFXDRVSA-N -1 1 370.413 0.447 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001683906617 1284126610 /nfs/dbraw/zinc/12/66/10/1284126610.db2.gz IKNYXTFKPJAIPR-DCAQKATOSA-N -1 1 364.368 0.754 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C(F)F)C1 ZINC001684306796 1284152855 /nfs/dbraw/zinc/15/28/55/1284152855.db2.gz ZXAUZDLJPOCDCM-NKWVEPMBSA-N -1 1 360.317 0.176 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001702410916 1285651674 /nfs/dbraw/zinc/65/16/74/1285651674.db2.gz QHXSQKUPODEANG-YNEHKIRRSA-N -1 1 360.414 0.375 10 0 FCAEMM CC(C)(C)n1cc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c(=O)[nH]c1=O ZINC001595197647 1286242429 /nfs/dbraw/zinc/24/24/29/1286242429.db2.gz XCFFRZPLELULOA-UHFFFAOYSA-N -1 1 374.426 0.965 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492277 1286249648 /nfs/dbraw/zinc/24/96/48/1286249648.db2.gz IIRNWFAMKUZZOJ-JTQLQIEISA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492277 1286249656 /nfs/dbraw/zinc/24/96/56/1286249656.db2.gz IIRNWFAMKUZZOJ-JTQLQIEISA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492277 1286249662 /nfs/dbraw/zinc/24/96/62/1286249662.db2.gz IIRNWFAMKUZZOJ-JTQLQIEISA-N -1 1 356.404 0.080 10 0 FCAEMM COC[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)OC)c1nn[n-]n1 ZINC001595889443 1286267474 /nfs/dbraw/zinc/26/74/74/1286267474.db2.gz PCOVRCGZVIFVSC-LBPRGKRZSA-N -1 1 358.358 0.514 10 0 FCAEMM COC[C@@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1nn[n-]n1 ZINC001595889757 1286268333 /nfs/dbraw/zinc/26/83/33/1286268333.db2.gz XVQNEZAJCOCHOZ-WCQYABFASA-N -1 1 365.438 0.368 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)CCn3cc[n-]c(=O)c3=O)O2)[C@H]1C ZINC001596518470 1286306295 /nfs/dbraw/zinc/30/62/95/1286306295.db2.gz PZVVRBGVDXLYLM-NEULZYRMSA-N -1 1 351.403 0.016 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[S@@](C)=O ZINC001597082982 1286326974 /nfs/dbraw/zinc/32/69/74/1286326974.db2.gz CXRLIORYZUINPB-RUZDIDTESA-N -1 1 370.475 0.145 10 0 FCAEMM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC001597149562 1286330815 /nfs/dbraw/zinc/33/08/15/1286330815.db2.gz VKCFTFYRCKBVOA-GFCCVEGCSA-N -1 1 361.427 0.528 10 0 FCAEMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001597477338 1286346718 /nfs/dbraw/zinc/34/67/18/1286346718.db2.gz PYZQMLHAIABDJI-UHFFFAOYSA-N -1 1 351.388 0.943 10 0 FCAEMM COC(=O)c1cnc([C@@H]2CCN(C(=O)CCCc3nn[n-]n3)C2)s1 ZINC001598380826 1286389418 /nfs/dbraw/zinc/38/94/18/1286389418.db2.gz CWZHIKZZNZSTSD-SECBINFHSA-N -1 1 350.404 0.782 10 0 FCAEMM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001598422029 1286392285 /nfs/dbraw/zinc/39/22/85/1286392285.db2.gz YSBZICDEXJECJF-SNVBAGLBSA-N -1 1 352.391 0.665 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001598429007 1286392596 /nfs/dbraw/zinc/39/25/96/1286392596.db2.gz WHZZVWQANVIDGS-LLVKDONJSA-N -1 1 363.395 0.613 10 0 FCAEMM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001719164748 1287817349 /nfs/dbraw/zinc/81/73/49/1287817349.db2.gz FGFAJFWKHLSYCX-DGCLKSJQSA-N -1 1 362.430 0.526 10 0 FCAEMM C[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001736095914 1289141340 /nfs/dbraw/zinc/14/13/40/1289141340.db2.gz WRWWVYOESFLZSG-GRYCIOLGSA-N -1 1 369.443 0.235 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001719347044 1288105293 /nfs/dbraw/zinc/10/52/93/1288105293.db2.gz BRCINIDSQGZDLQ-HZSPNIEDSA-N -1 1 360.414 0.375 10 0 FCAEMM O=C(CCCF)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001736117943 1289157370 /nfs/dbraw/zinc/15/73/70/1289157370.db2.gz JUQKORQRJRPLQR-WDEREUQCSA-N -1 1 364.381 0.182 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001726023666 1288486328 /nfs/dbraw/zinc/48/63/28/1288486328.db2.gz FOOVHYRMEZELNU-OPRDCNLKSA-N -1 1 352.391 0.519 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001735403025 1288726248 /nfs/dbraw/zinc/72/62/48/1288726248.db2.gz CORSCXHEGYRSFI-JMSVASOKSA-N -1 1 351.403 0.151 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCn1ccccc1=O ZINC001735827850 1288937570 /nfs/dbraw/zinc/93/75/70/1288937570.db2.gz UTVVKMMNSIOEFK-ZIAGYGMSSA-N -1 1 370.409 0.616 10 0 FCAEMM CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001736261387 1289225762 /nfs/dbraw/zinc/22/57/62/1289225762.db2.gz ZEWSUTZLBFSPBW-UPJWGTAASA-N -1 1 362.430 0.669 10 0 FCAEMM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001736355555 1289276127 /nfs/dbraw/zinc/27/61/27/1289276127.db2.gz AIYBJPCBGRWIGF-UJQHZETGSA-N -1 1 364.402 0.687 10 0 FCAEMM Cn1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c[nH]c1=O ZINC001610890716 1289618237 /nfs/dbraw/zinc/61/82/37/1289618237.db2.gz LQXXCWOXXIZMJA-UHFFFAOYSA-N -1 1 366.399 0.868 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(Br)c[nH]c2=O)n[n-]1 ZINC001611154600 1289634266 /nfs/dbraw/zinc/63/42/66/1289634266.db2.gz ONEAVMSMFFDBBW-UHFFFAOYSA-N -1 1 370.163 0.775 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Br)c[nH]c2=O)n1 ZINC001611154600 1289634272 /nfs/dbraw/zinc/63/42/72/1289634272.db2.gz ONEAVMSMFFDBBW-UHFFFAOYSA-N -1 1 370.163 0.775 10 0 FCAEMM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ncccc1[O-] ZINC001738883597 1289745877 /nfs/dbraw/zinc/74/58/77/1289745877.db2.gz JQUGGCQPZCDNNH-HZSPNIEDSA-N -1 1 356.382 0.193 10 0 FCAEMM COc1ccc(COCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cn1 ZINC001616948439 1289806119 /nfs/dbraw/zinc/80/61/19/1289806119.db2.gz ZIJFZBIJJJNVHB-NSHDSACASA-N -1 1 350.404 0.437 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)nn1C1CCOCC1 ZINC001617703325 1289858663 /nfs/dbraw/zinc/85/86/63/1289858663.db2.gz PXGPVHOPXCWVCP-UHFFFAOYSA-N -1 1 361.406 0.180 10 0 FCAEMM CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703281 1289859480 /nfs/dbraw/zinc/85/94/80/1289859480.db2.gz OMXDRRAIQMTKSA-VIFPVBQESA-N -1 1 350.345 0.186 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1cncnc1 ZINC001702267299 1289932764 /nfs/dbraw/zinc/93/27/64/1289932764.db2.gz PTJAZVOROSBSFV-TZMCWYRMSA-N -1 1 355.398 0.787 10 0 FCAEMM COc1cnc([C@H]2CCCN2CC2(O)CCS(=O)(=O)CC2)[n-]c1=O ZINC001620648478 1290012382 /nfs/dbraw/zinc/01/23/82/1290012382.db2.gz VNDPHUNFPQGEIF-LLVKDONJSA-N -1 1 357.432 0.267 10 0 FCAEMM Cc1nc(NC(=O)Cc2ccc([O-])c(Cl)c2)c(C(=O)NCCO)n1C ZINC001623445530 1290220109 /nfs/dbraw/zinc/22/01/09/1290220109.db2.gz MDBZWCFRLMQKQT-UHFFFAOYSA-N -1 1 366.805 0.991 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC001627113400 1290438443 /nfs/dbraw/zinc/43/84/43/1290438443.db2.gz AONGFDHXSJGQFL-UHFFFAOYSA-N -1 1 351.388 0.030 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 ZINC001627518197 1290468613 /nfs/dbraw/zinc/46/86/13/1290468613.db2.gz QTKWAWCVUMBJIU-GFCCVEGCSA-N -1 1 355.416 0.301 10 0 FCAEMM CSc1ncc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(=O)[n-]1 ZINC001627633164 1290475295 /nfs/dbraw/zinc/47/52/95/1290475295.db2.gz QQCMDKCFIYKECF-ZETCQYMHSA-N -1 1 350.322 0.797 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001627750378 1290483502 /nfs/dbraw/zinc/48/35/02/1290483502.db2.gz MPDCZVMWCTXYSS-JTQLQIEISA-N -1 1 366.418 0.909 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCc3nn[n-]n3)CC[C@@H]21 ZINC001628526770 1290540734 /nfs/dbraw/zinc/54/07/34/1290540734.db2.gz ZLQACRHJLHPHEO-NEPJUHHUSA-N -1 1 350.423 0.990 10 0 FCAEMM Cn1cc([C@H]2C[C@H](NC(=O)CNC(=O)c3ncccc3[O-])CCO2)cn1 ZINC001628572795 1290543328 /nfs/dbraw/zinc/54/33/28/1290543328.db2.gz MCACVOKHAVINIC-TZMCWYRMSA-N -1 1 359.386 0.287 10 0 FCAEMM NC(=O)Cn1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)ccc1=O ZINC001628654015 1290547640 /nfs/dbraw/zinc/54/76/40/1290547640.db2.gz ZAJQWUBLAUNIDF-UHFFFAOYSA-N -1 1 356.313 0.979 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(OCCOC(C)C)CC1 ZINC001629777167 1290625464 /nfs/dbraw/zinc/62/54/64/1290625464.db2.gz ZBRUSVGLHNYHRI-UHFFFAOYSA-N -1 1 355.391 0.943 10 0 FCAEMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001629863855 1290628654 /nfs/dbraw/zinc/62/86/54/1290628654.db2.gz LWUDRKHWIGPGQP-LLVKDONJSA-N -1 1 361.329 0.583 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1nn[n-]n1 ZINC001629931370 1290635403 /nfs/dbraw/zinc/63/54/03/1290635403.db2.gz IKJUYXFTPFRRMJ-SKDRFNHKSA-N -1 1 374.426 0.795 10 0 FCAEMM CC(C)(C)[C@H](NC(=O)Cc1n[nH]c(C2CCOCC2)n1)c1nc(=O)o[n-]1 ZINC001630801035 1290702684 /nfs/dbraw/zinc/70/26/84/1290702684.db2.gz VFOFVKNSKGJTEH-GFCCVEGCSA-N -1 1 364.406 0.821 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001758411387 1290832445 /nfs/dbraw/zinc/83/24/45/1290832445.db2.gz ALENYAJIJRVNTF-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(-n2cnnn2)c1 ZINC001643241184 1290865004 /nfs/dbraw/zinc/86/50/04/1290865004.db2.gz GSWZZEKZWHFPDC-UHFFFAOYSA-N -1 1 353.342 0.161 10 0 FCAEMM C[C@H](CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)NC(=O)C1CCCC1 ZINC001643241759 1290867601 /nfs/dbraw/zinc/86/76/01/1290867601.db2.gz PPTAEXHTBRUIEZ-LLVKDONJSA-N -1 1 362.430 0.956 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nc(C(F)(F)F)no1 ZINC001643288465 1290869772 /nfs/dbraw/zinc/86/97/72/1290869772.db2.gz ITGDVKFYSPVHGV-ZCFIWIBFSA-N -1 1 359.264 0.796 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001643820393 1290917140 /nfs/dbraw/zinc/91/71/40/1290917140.db2.gz JRINFYPSBFIJJB-UHFFFAOYSA-N -1 1 363.397 0.823 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001643824217 1290917868 /nfs/dbraw/zinc/91/78/68/1290917868.db2.gz UVKQRTPAKKESLA-GFCCVEGCSA-N -1 1 368.438 0.820 10 0 FCAEMM O=C(NCc1cc(=O)n2ccccc2n1)c1ccc2n[n-]c(=S)n2c1 ZINC001644293388 1290953578 /nfs/dbraw/zinc/95/35/78/1290953578.db2.gz YDFLRFKJMOTQBH-UHFFFAOYSA-N -1 1 352.379 0.956 10 0 FCAEMM O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001645346386 1291019387 /nfs/dbraw/zinc/01/93/87/1291019387.db2.gz MJYGCHCOIMLPFU-LBPRGKRZSA-N -1 1 370.413 0.945 10 0 FCAEMM O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001645346385 1291021047 /nfs/dbraw/zinc/02/10/47/1291021047.db2.gz MJYGCHCOIMLPFU-GFCCVEGCSA-N -1 1 370.413 0.945 10 0 FCAEMM CN(C)c1ccc2nnc(CNC(=O)c3cnc(C4CC4)[n-]c3=O)n2n1 ZINC001646581477 1291066325 /nfs/dbraw/zinc/06/63/25/1291066325.db2.gz WXBIGNUSZXTUPL-UHFFFAOYSA-N -1 1 354.374 0.493 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)o1 ZINC001648029574 1291097479 /nfs/dbraw/zinc/09/74/79/1291097479.db2.gz SKRXMKMCPNTQLM-UHFFFAOYSA-N -1 1 369.399 0.465 10 0 FCAEMM CCOC(=O)C1([C@@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCOCC1 ZINC001648074427 1291100008 /nfs/dbraw/zinc/10/00/08/1291100008.db2.gz KSGCLFGPNVGDEK-SECBINFHSA-N -1 1 369.374 0.375 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@]3(CO)CCCC[C@@]3(CO)C2)co1 ZINC001648267442 1291116208 /nfs/dbraw/zinc/11/62/08/1291116208.db2.gz FYRBPTZLNOUHSB-IYBDPMFKSA-N -1 1 372.443 0.175 10 0 FCAEMM CCOC(=O)c1cn(CC)nc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001648498633 1291125849 /nfs/dbraw/zinc/12/58/49/1291125849.db2.gz NFVAWQNYFLBGAA-UHFFFAOYSA-N -1 1 361.358 0.549 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2c(C(F)F)nc3cnccn32)n1 ZINC001650754607 1291178118 /nfs/dbraw/zinc/17/81/18/1291178118.db2.gz KBFZEEYHHJUNPJ-UHFFFAOYSA-N -1 1 357.302 0.441 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c(C(F)F)nc3cnccn32)[n-]1 ZINC001650754607 1291178121 /nfs/dbraw/zinc/17/81/21/1291178121.db2.gz KBFZEEYHHJUNPJ-UHFFFAOYSA-N -1 1 357.302 0.441 10 0 FCAEMM C=CC(=O)NCc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001650749100 1291178182 /nfs/dbraw/zinc/17/81/82/1291178182.db2.gz QYWFYIASIHOQMT-UHFFFAOYSA-N -1 1 368.393 0.987 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1=O ZINC001650857633 1291181568 /nfs/dbraw/zinc/18/15/68/1291181568.db2.gz FSGHBRNITMXTDA-NSHDSACASA-N -1 1 374.401 0.333 10 0 FCAEMM O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651875311 1291247532 /nfs/dbraw/zinc/24/75/32/1291247532.db2.gz WUBFNNZJCSIKNJ-CYBMUJFWSA-N -1 1 360.393 0.479 10 0 FCAEMM CN(C(=O)C1CC1)c1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC001652239100 1291268761 /nfs/dbraw/zinc/26/87/61/1291268761.db2.gz YAKKORKZQZFGLE-UHFFFAOYSA-N -1 1 356.382 0.938 10 0 FCAEMM COc1cnc([C@H]2CCCN2c2nccc(S(C)(=O)=O)n2)[n-]c1=O ZINC001652304303 1291273218 /nfs/dbraw/zinc/27/32/18/1291273218.db2.gz DGKSJYMJSSANNF-SECBINFHSA-N -1 1 351.388 0.726 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCNC1=O ZINC001652680307 1291289891 /nfs/dbraw/zinc/28/98/91/1291289891.db2.gz AFPAVHWCPHMCKJ-SFHVURJKSA-N -1 1 355.398 0.880 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@@](C)(O)C2CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656700026 1291553932 /nfs/dbraw/zinc/55/39/32/1291553932.db2.gz GCCJAUXJRNINHZ-OGHNNQOOSA-N -1 1 351.451 0.129 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001669851163 1292007676 /nfs/dbraw/zinc/00/76/76/1292007676.db2.gz CNTTVLDMLXXEBN-YUELXQCFSA-N -1 1 361.446 0.774 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC2(CNC(=O)O2)CC1 ZINC001684758016 1292328919 /nfs/dbraw/zinc/32/89/19/1292328919.db2.gz UZZKVWMHHCZUSA-UHFFFAOYSA-N -1 1 363.374 0.039 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCCCCNC(=O)CC1 ZINC001684758013 1292329064 /nfs/dbraw/zinc/32/90/64/1292329064.db2.gz UTOUPLKDGIPGMF-UHFFFAOYSA-N -1 1 363.418 0.457 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CO)c1ccc(F)cc1 ZINC001684869069 1292346647 /nfs/dbraw/zinc/34/66/47/1292346647.db2.gz LABVGQYFHCAOND-AWEZNQCLSA-N -1 1 362.361 0.927 10 0 FCAEMM CC(C)[C@H](O)C1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001684869310 1292346875 /nfs/dbraw/zinc/34/68/75/1292346875.db2.gz OFLMJNRSMQCBTM-AWEZNQCLSA-N -1 1 350.419 0.851 10 0 FCAEMM CCCCCC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001685310398 1292493854 /nfs/dbraw/zinc/49/38/54/1292493854.db2.gz HHWQHNHNENKHNL-KGLIPLIRSA-N -1 1 364.446 0.613 10 0 FCAEMM Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)o1 ZINC001685652957 1292584633 /nfs/dbraw/zinc/58/46/33/1292584633.db2.gz SGLNFNHOOKPYIH-ZYHUDNBSSA-N -1 1 359.386 0.546 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC=CC1 ZINC001686052341 1292748790 /nfs/dbraw/zinc/74/87/90/1292748790.db2.gz IWXWHQKJTNBUBE-ILXRZTDVSA-N -1 1 372.425 0.141 10 0 FCAEMM CNC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001686146802 1292786422 /nfs/dbraw/zinc/78/64/22/1292786422.db2.gz FYOHKVDRNRQQDW-UPJWGTAASA-N -1 1 360.414 0.565 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC001117361723 846980842 /nfs/dbraw/zinc/98/08/42/846980842.db2.gz VMUBOSCRNIUSTE-SECBINFHSA-N -1 1 370.412 0.108 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)[n-]1 ZINC001117361723 846980846 /nfs/dbraw/zinc/98/08/46/846980846.db2.gz VMUBOSCRNIUSTE-SECBINFHSA-N -1 1 370.412 0.108 10 0 FCAEMM CO[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCC1 ZINC001118458589 847432752 /nfs/dbraw/zinc/43/27/52/847432752.db2.gz GNIONWGGRSIBBE-NSHDSACASA-N -1 1 360.388 0.015 10 0 FCAEMM C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CN1C1CC1 ZINC001118548360 847473086 /nfs/dbraw/zinc/47/30/86/847473086.db2.gz KVKWBDLOANDHBX-JSGCOSHPSA-N -1 1 351.447 0.831 10 0 FCAEMM C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CN1C1CC1 ZINC001118548363 847473239 /nfs/dbraw/zinc/47/32/39/847473239.db2.gz KVKWBDLOANDHBX-TZMCWYRMSA-N -1 1 351.447 0.831 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CSCN3C(=O)C(C)(C)C)nc2n1 ZINC001118784785 847580792 /nfs/dbraw/zinc/58/07/92/847580792.db2.gz XRLPCPXAEPCGAA-VIFPVBQESA-N -1 1 364.431 0.612 10 0 FCAEMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC3(CCOCC3)CC[C@@H]2CO)C1 ZINC001123298610 848584169 /nfs/dbraw/zinc/58/41/69/848584169.db2.gz UUKHBGVZARGPAP-HUUCEWRRSA-N -1 1 354.447 0.563 10 0 FCAEMM CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1nn[n-]n1 ZINC001131170136 849084155 /nfs/dbraw/zinc/08/41/55/849084155.db2.gz SVJPRJVHSOYFQT-UHFFFAOYSA-N -1 1 356.433 0.251 10 0 FCAEMM COc1ccc(NC(=O)[C@H]2CCCN(C)C2=O)cc1[N-]S(C)(=O)=O ZINC001136149708 849208257 /nfs/dbraw/zinc/20/82/57/849208257.db2.gz VPELYYOAYBTODG-LLVKDONJSA-N -1 1 355.416 0.874 10 0 FCAEMM Cn1ncc(CCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])n1 ZINC001137782715 849283914 /nfs/dbraw/zinc/28/39/14/849283914.db2.gz HWWSTZLPBQRJGD-UHFFFAOYSA-N -1 1 365.415 0.533 10 0 FCAEMM O=C(NCc1nn[n-]n1)c1cc2ccc(Br)cc2c(=O)o1 ZINC001143974375 849505805 /nfs/dbraw/zinc/50/58/05/849505805.db2.gz LMBJWZCSERYYTO-UHFFFAOYSA-N -1 1 350.132 0.999 10 0 FCAEMM CC(C)OC(=O)N1CCC(NC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001146765969 849565192 /nfs/dbraw/zinc/56/51/92/849565192.db2.gz OIVVAEFDIRHKDY-UHFFFAOYSA-N -1 1 352.391 0.052 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CSc2cccc[n+]2[O-])n[n-]1 ZINC001146853655 849568375 /nfs/dbraw/zinc/56/83/75/849568375.db2.gz ADMUECWDHDYLLH-VIFPVBQESA-N -1 1 351.388 0.584 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CSc2cccc[n+]2[O-])[n-]1 ZINC001146853655 849568386 /nfs/dbraw/zinc/56/83/86/849568386.db2.gz ADMUECWDHDYLLH-VIFPVBQESA-N -1 1 351.388 0.584 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CSc2cccc[n+]2[O-])n1 ZINC001146853655 849568390 /nfs/dbraw/zinc/56/83/90/849568390.db2.gz ADMUECWDHDYLLH-VIFPVBQESA-N -1 1 351.388 0.584 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CSc2cccc[n+]2[O-])n[n-]1 ZINC001146853651 849568639 /nfs/dbraw/zinc/56/86/39/849568639.db2.gz ADMUECWDHDYLLH-SECBINFHSA-N -1 1 351.388 0.584 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CSc2cccc[n+]2[O-])[n-]1 ZINC001146853651 849568648 /nfs/dbraw/zinc/56/86/48/849568648.db2.gz ADMUECWDHDYLLH-SECBINFHSA-N -1 1 351.388 0.584 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CSc2cccc[n+]2[O-])n1 ZINC001146853651 849568654 /nfs/dbraw/zinc/56/86/54/849568654.db2.gz ADMUECWDHDYLLH-SECBINFHSA-N -1 1 351.388 0.584 10 0 FCAEMM C[C@@H](NC(=O)c1ncc(Br)cc1[O-])[C@@H]1CN(C)CCN1C ZINC001147353075 849579475 /nfs/dbraw/zinc/57/94/75/849579475.db2.gz UMPKPZBVTGPKPV-KOLCDFICSA-N -1 1 357.252 0.914 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCCc2c[nH][nH]c2=O)c(=O)[n-]1 ZINC001149262074 849633845 /nfs/dbraw/zinc/63/38/45/849633845.db2.gz GYGFOJXBTOFBEK-SNVBAGLBSA-N -1 1 351.432 0.773 10 0 FCAEMM CCOC(=O)CS[C@@H](CNC(=O)CCCc1nn[n-]n1)C(F)(F)F ZINC001175277942 850758738 /nfs/dbraw/zinc/75/87/38/850758738.db2.gz YQOYYQUVYFPXJF-QMMMGPOBSA-N -1 1 369.369 0.866 10 0 FCAEMM C[C@H](Cc1cn(C)nn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001176836310 850809253 /nfs/dbraw/zinc/80/92/53/850809253.db2.gz SURVZOUZYVTJMS-SNVBAGLBSA-N -1 1 369.447 0.846 10 0 FCAEMM CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](COC)c2nn[n-]n2)cc1 ZINC001177827595 850870816 /nfs/dbraw/zinc/87/08/16/850870816.db2.gz HLJQUEPBWIWURP-CYBMUJFWSA-N -1 1 367.431 0.430 10 0 FCAEMM O=C([N-]CC1CCN(C(=O)c2cnc3n2CCOC3)CC1)C(F)(F)F ZINC001261740252 858654492 /nfs/dbraw/zinc/65/44/92/858654492.db2.gz VLGIJTFRRHJCFM-UHFFFAOYSA-N -1 1 360.336 0.944 10 0 FCAEMM CN(CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)CC(F)(F)F ZINC001261875082 858697470 /nfs/dbraw/zinc/69/74/70/858697470.db2.gz UEOJQWLEEDEWRU-UHFFFAOYSA-N -1 1 363.340 0.548 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2cncs2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264719365 859437587 /nfs/dbraw/zinc/43/75/87/859437587.db2.gz WBLAGWHUXUYAFQ-PWSUYJOCSA-N -1 1 350.448 0.277 10 0 FCAEMM CCO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(C)C ZINC001281670423 863604789 /nfs/dbraw/zinc/60/47/89/863604789.db2.gz VVDLOWZEERGPOS-KYOSRNDESA-N -1 1 351.403 0.150 10 0 FCAEMM NC(=O)C1([N-]C(=O)C(F)(F)c2ccccc2F)CCS(=O)(=O)CC1 ZINC001288070186 864762332 /nfs/dbraw/zinc/76/23/32/864762332.db2.gz BAQAJYIGWYRGSV-UHFFFAOYSA-N -1 1 364.345 0.466 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCS(=O)(=O)CCO2)c(=O)[n-]1 ZINC001289828338 865291875 /nfs/dbraw/zinc/29/18/75/865291875.db2.gz QZXHNEKSLZHIBF-UHFFFAOYSA-N -1 1 361.445 0.334 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001295703067 865916153 /nfs/dbraw/zinc/91/61/53/865916153.db2.gz VCONAQUJYVGCAC-NSHDSACASA-N -1 1 352.757 0.847 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC001349188062 866258397 /nfs/dbraw/zinc/25/83/97/866258397.db2.gz ZUHZEFRXOJCEPZ-SDDRHHMPSA-N -1 1 362.463 0.218 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC001349188062 866258405 /nfs/dbraw/zinc/25/84/05/866258405.db2.gz ZUHZEFRXOJCEPZ-SDDRHHMPSA-N -1 1 362.463 0.218 10 0 FCAEMM Cc1scc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1C ZINC001302249186 866316638 /nfs/dbraw/zinc/31/66/38/866316638.db2.gz CKWHRFDSHYQWAM-UHFFFAOYSA-N -1 1 371.440 0.652 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC001303199741 866388055 /nfs/dbraw/zinc/38/80/55/866388055.db2.gz OOJUREWPZMUTBW-SNVBAGLBSA-N -1 1 372.476 0.613 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C=Cc1ccc(S(C)(=O)=O)o1 ZINC001303200936 866390616 /nfs/dbraw/zinc/39/06/16/866390616.db2.gz FYIWGZBSQHZFND-XQRVVYSFSA-N -1 1 353.404 0.894 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCOCCCO)c1F ZINC001349821966 866453031 /nfs/dbraw/zinc/45/30/31/866453031.db2.gz CDABYAIKEHKCPQ-UHFFFAOYSA-N -1 1 369.798 0.943 10 0 FCAEMM CC1(/C=C\C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001354062371 867543693 /nfs/dbraw/zinc/54/36/93/867543693.db2.gz ZZWMHAZIICCWIT-KVLZDYKBSA-N -1 1 352.431 0.747 10 0 FCAEMM CC1(/C=C/C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001354062381 867543761 /nfs/dbraw/zinc/54/37/61/867543761.db2.gz ZZWMHAZIICCWIT-ZMUQKWFASA-N -1 1 352.431 0.747 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(F)cc(F)cc2OC)CCOC1 ZINC001319131165 867835981 /nfs/dbraw/zinc/83/59/81/867835981.db2.gz DXIIXDMEZWCYAT-ZDUSSCGKSA-N -1 1 351.327 0.584 10 0 FCAEMM NC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC001320435122 868166276 /nfs/dbraw/zinc/16/62/76/868166276.db2.gz UKBOVTULRZUQPV-CYBMUJFWSA-N -1 1 355.416 0.003 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@]1(F)CCOC1 ZINC001323017397 869025982 /nfs/dbraw/zinc/02/59/82/869025982.db2.gz ALWUPQBCZUMXEN-OAHLLOKOSA-N -1 1 374.390 0.480 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001325836276 870054017 /nfs/dbraw/zinc/05/40/17/870054017.db2.gz HZADSZPUJKWXPT-AWEZNQCLSA-N -1 1 367.427 0.399 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001325836280 870054190 /nfs/dbraw/zinc/05/41/90/870054190.db2.gz HZADSZPUJKWXPT-CQSZACIVSA-N -1 1 367.427 0.399 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)[C@H]1CCOC1 ZINC001327082043 870657685 /nfs/dbraw/zinc/65/76/85/870657685.db2.gz ZTSKBYYMEXMCDG-IUCAKERBSA-N -1 1 353.491 0.731 10 0 FCAEMM COC1(C)CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@H]2CCOC2)C1 ZINC001344224350 870772956 /nfs/dbraw/zinc/77/29/56/870772956.db2.gz GFRZBFNYVULRDK-SECBINFHSA-N -1 1 353.814 0.978 10 0 FCAEMM O=C(OCc1ccccc1)[C@H](CO)[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC001328148668 871249981 /nfs/dbraw/zinc/24/99/81/871249981.db2.gz YNWADPJDCYFMSV-HOTGVXAUSA-N -1 1 371.455 0.827 10 0 FCAEMM O=C(OCc1ccccc1)[C@H](CO)[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC001328148667 871250153 /nfs/dbraw/zinc/25/01/53/871250153.db2.gz YNWADPJDCYFMSV-CVEARBPZSA-N -1 1 371.455 0.827 10 0 FCAEMM CCCO[N-]C(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001328355067 871380349 /nfs/dbraw/zinc/38/03/49/871380349.db2.gz FETDBYLVYFRXDM-LLVKDONJSA-N -1 1 362.448 0.726 10 0 FCAEMM COCCOCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001328741582 871603428 /nfs/dbraw/zinc/60/34/28/871603428.db2.gz VHOFRWZTKGMMJI-UHFFFAOYSA-N -1 1 357.201 0.925 10 0 FCAEMM CO[C@H]1CCCN(c2nnc(-c3cc(S(N)(=O)=O)ccc3[O-])n2C)C1 ZINC001346301357 871760487 /nfs/dbraw/zinc/76/04/87/871760487.db2.gz YZQRKZAGGGZASG-JTQLQIEISA-N -1 1 367.431 0.450 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC001346766621 871992123 /nfs/dbraw/zinc/99/21/23/871992123.db2.gz VDOLVQHUGDCBQE-MXWKQRLJSA-N -1 1 356.400 0.636 10 0 FCAEMM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001347671906 872445874 /nfs/dbraw/zinc/44/58/74/872445874.db2.gz MPGJJMRICOOXBA-VHSXEESVSA-N -1 1 360.340 0.392 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001332056747 873352528 /nfs/dbraw/zinc/35/25/28/873352528.db2.gz HKXVIVCFJLFUJF-BDAKNGLRSA-N -1 1 355.332 0.766 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N[C@@H](CF)C(=O)[O-])cn2)CC1 ZINC001332121419 873383717 /nfs/dbraw/zinc/38/37/17/873383717.db2.gz HLAHOYNBXNJEQM-ZDUSSCGKSA-N -1 1 353.398 0.445 10 0 FCAEMM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC001332150841 873393649 /nfs/dbraw/zinc/39/36/49/873393649.db2.gz TXTWQQKPAUBUOR-JTTJXQCZSA-N -1 1 354.447 0.970 10 0 FCAEMM COC1CCC(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001332175111 873399715 /nfs/dbraw/zinc/39/97/15/873399715.db2.gz KFEMLPLHVUIKAM-JTTJXQCZSA-N -1 1 354.447 0.970 10 0 FCAEMM C[C@H](CN1CCOCC1)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC001332186440 873402652 /nfs/dbraw/zinc/40/26/52/873402652.db2.gz DKYHJGMENPOSBA-ZJUUUORDSA-N -1 1 358.382 0.820 10 0 FCAEMM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)[C@H](C(=O)[O-])C1 ZINC001332473292 873523280 /nfs/dbraw/zinc/52/32/80/873523280.db2.gz BGSDUALBHBTGEO-YIYPIFLZSA-N -1 1 357.476 0.840 10 0 FCAEMM O=C(N[C@@H](C(=O)[O-])C1CCOCC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001332932907 873722384 /nfs/dbraw/zinc/72/23/84/873722384.db2.gz NYXXWNYGXHMZPF-MGPQQGTHSA-N -1 1 357.476 0.745 10 0 FCAEMM CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000292171659 214082775 /nfs/dbraw/zinc/08/27/75/214082775.db2.gz IPBMWRKGLKFOBQ-NSHDSACASA-N -1 1 373.456 0.550 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H](C)C(=O)c3ccc([O-])cc3)C[C@H]21 ZINC000931026324 674088150 /nfs/dbraw/zinc/08/81/50/674088150.db2.gz VFUROTTWYIEQJG-CAPXZKIUSA-N -1 1 353.440 0.955 10 0 FCAEMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366679869 216015399 /nfs/dbraw/zinc/01/53/99/216015399.db2.gz OYOOFKQAYPLUEW-SNVBAGLBSA-N -1 1 358.402 0.816 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)o1 ZINC000366747586 216026298 /nfs/dbraw/zinc/02/62/98/216026298.db2.gz JNLAWTFLDJSHDN-BFQNTYOBSA-N -1 1 372.443 0.986 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)co1 ZINC000369030871 216334245 /nfs/dbraw/zinc/33/42/45/216334245.db2.gz ZIVWMHKGLAJPGU-XHVZSJERSA-N -1 1 356.400 0.601 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000275979348 212133154 /nfs/dbraw/zinc/13/31/54/212133154.db2.gz DPRLEDASHHSKQJ-BBBLOLIVSA-N -1 1 356.408 0.649 10 0 FCAEMM C[C@@H](CN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nn[n-]n1 ZINC000373490969 217022988 /nfs/dbraw/zinc/02/29/88/217022988.db2.gz VFISNUILFALECA-CSJGVYOVSA-N -1 1 363.422 0.262 10 0 FCAEMM COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275344140 212009671 /nfs/dbraw/zinc/00/96/71/212009671.db2.gz SALBLVPWWQBOQC-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM COc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C)c1F ZINC000275309367 212004693 /nfs/dbraw/zinc/00/46/93/212004693.db2.gz NXVHQDSJZGGYPG-UHFFFAOYSA-N -1 1 360.407 0.924 10 0 FCAEMM Cc1ccc(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000374806918 217176980 /nfs/dbraw/zinc/17/69/80/217176980.db2.gz NZIDMZAXYZAGFW-AWEZNQCLSA-N -1 1 355.460 0.722 10 0 FCAEMM COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H](C)c3nn[n-]n3)CC(=O)N2C)cc1 ZINC000375380950 217257991 /nfs/dbraw/zinc/25/79/91/217257991.db2.gz QZDNSNLRGSOCAW-DJSGYFEHSA-N -1 1 372.429 0.990 10 0 FCAEMM O=C(Cn1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cn1)NC1CCCC1 ZINC000435913247 248023989 /nfs/dbraw/zinc/02/39/89/248023989.db2.gz HYOPFAVWFYDAJG-UHFFFAOYSA-N -1 1 372.433 0.654 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2nnc(C3CCC3)n2C)c1 ZINC000438893477 248100319 /nfs/dbraw/zinc/10/03/19/248100319.db2.gz JFNUSXDXIRXQGF-UHFFFAOYSA-N -1 1 354.388 0.941 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000439145734 248111117 /nfs/dbraw/zinc/11/11/17/248111117.db2.gz KEJMJYVSBVRXPO-NXEZZACHSA-N -1 1 364.383 0.722 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[n-]1 ZINC000439145734 248111120 /nfs/dbraw/zinc/11/11/20/248111120.db2.gz KEJMJYVSBVRXPO-NXEZZACHSA-N -1 1 364.383 0.722 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000439145737 248111623 /nfs/dbraw/zinc/11/16/23/248111623.db2.gz KEJMJYVSBVRXPO-ZJUUUORDSA-N -1 1 364.383 0.722 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[n-]1 ZINC000439145737 248111625 /nfs/dbraw/zinc/11/16/25/248111625.db2.gz KEJMJYVSBVRXPO-ZJUUUORDSA-N -1 1 364.383 0.722 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CC(=O)C1 ZINC000270904749 211296864 /nfs/dbraw/zinc/29/68/64/211296864.db2.gz AKMDZZWVBBWMJJ-UHFFFAOYSA-N -1 1 354.384 0.331 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000269794602 211081438 /nfs/dbraw/zinc/08/14/38/211081438.db2.gz NMOFXQBFWRSZJE-UHFFFAOYSA-N -1 1 357.363 0.696 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000409803730 533407570 /nfs/dbraw/zinc/40/75/70/533407570.db2.gz ZKJDFGMQCQCSAY-KOLCDFICSA-N -1 1 368.427 0.961 10 0 FCAEMM COc1ccc(NC(=S)c2c(N)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC000072450553 136148268 /nfs/dbraw/zinc/14/82/68/136148268.db2.gz WAHAVWXUFYGWPP-UHFFFAOYSA-N -1 1 361.427 0.985 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)NC1CCN(c3ncccn3)CC1)c2=O ZINC000179430504 209079210 /nfs/dbraw/zinc/07/92/10/209079210.db2.gz WJARZLPYACRPEN-UHFFFAOYSA-N -1 1 353.386 0.863 10 0 FCAEMM CCOC(=O)c1cnc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)n1C ZINC000278634685 488886355 /nfs/dbraw/zinc/88/63/55/488886355.db2.gz NJFMGPDNFADSET-UHFFFAOYSA-N -1 1 356.360 0.350 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000364185012 488932453 /nfs/dbraw/zinc/93/24/53/488932453.db2.gz SWPINERRCSRCMK-NEPJUHHUSA-N -1 1 374.415 0.370 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2OC)o1 ZINC000032023118 487768019 /nfs/dbraw/zinc/76/80/19/487768019.db2.gz FWSMKXGYALBVQW-LLVKDONJSA-N -1 1 354.384 0.660 10 0 FCAEMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000050208293 488109226 /nfs/dbraw/zinc/10/92/26/488109226.db2.gz BVCQWPIRBKXKSW-UHFFFAOYSA-N -1 1 363.395 0.711 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000064336380 488312397 /nfs/dbraw/zinc/31/23/97/488312397.db2.gz JJUJBTCPOGXBEG-GFCCVEGCSA-N -1 1 361.446 0.821 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1nnc2ccccn21 ZINC000104017864 488503759 /nfs/dbraw/zinc/50/37/59/488503759.db2.gz OUODCAHNNDHDKY-UHFFFAOYSA-N -1 1 351.370 0.541 10 0 FCAEMM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000264023399 488643455 /nfs/dbraw/zinc/64/34/55/488643455.db2.gz XHRFPOCTBYWOKI-LBPRGKRZSA-N -1 1 365.411 0.113 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000131265476 488644537 /nfs/dbraw/zinc/64/45/37/488644537.db2.gz CMYLTADFNFPKEG-HIFRSBDPSA-N -1 1 371.441 0.699 10 0 FCAEMM O=S(=O)([N-]CCN1CCCS1(=O)=O)c1c(F)cccc1Cl ZINC000131378455 488645809 /nfs/dbraw/zinc/64/58/09/488645809.db2.gz SYAPEPFRHGDXRK-UHFFFAOYSA-N -1 1 356.828 0.793 10 0 FCAEMM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000135574554 488674199 /nfs/dbraw/zinc/67/41/99/488674199.db2.gz XOERWBHAWROIGH-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)C)CC2)o1 ZINC000264569270 488686035 /nfs/dbraw/zinc/68/60/35/488686035.db2.gz HFDLYWBWOFBCLL-UHFFFAOYSA-N -1 1 358.416 0.992 10 0 FCAEMM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274890928 488741031 /nfs/dbraw/zinc/74/10/31/488741031.db2.gz FZTRCBRCQKZGHY-GFCCVEGCSA-N -1 1 367.383 0.479 10 0 FCAEMM COCCc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000274950682 488747267 /nfs/dbraw/zinc/74/72/67/488747267.db2.gz SQCTXUXOYKBWBS-AWEZNQCLSA-N -1 1 353.400 0.573 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c(OC)c1 ZINC000275005725 488752640 /nfs/dbraw/zinc/75/26/40/488752640.db2.gz PAJVWEDGODLZGK-ZDUSSCGKSA-N -1 1 372.443 0.921 10 0 FCAEMM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000267601138 488802711 /nfs/dbraw/zinc/80/27/11/488802711.db2.gz PFBDFWKONFEVBC-CQSZACIVSA-N -1 1 371.441 0.426 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F ZINC000174006857 488847181 /nfs/dbraw/zinc/84/71/81/488847181.db2.gz HHSORKBSBOFKAY-VIFPVBQESA-N -1 1 373.381 0.444 10 0 FCAEMM CN1C(=O)CC[C@@H](C(=O)NCCCc2nc(=O)[n-][nH]2)[C@@H]1c1ccccc1 ZINC000176255780 488857996 /nfs/dbraw/zinc/85/79/96/488857996.db2.gz XRQKYKLFONNWTO-CJNGLKHVSA-N -1 1 357.414 0.757 10 0 FCAEMM O=C(NCCCc1nc(=O)[n-][nH]1)c1cnn2cc(Br)cnc12 ZINC000180857848 488862647 /nfs/dbraw/zinc/86/26/47/488862647.db2.gz MJCIJSYASPDSBV-UHFFFAOYSA-N -1 1 366.179 0.266 10 0 FCAEMM O=c1nc([C@H]2CCCN(CCS(=O)(=O)c3ccc(F)cc3)C2)[nH][n-]1 ZINC000289420241 489066125 /nfs/dbraw/zinc/06/61/25/489066125.db2.gz MRDQVDXMAFSZQO-NSHDSACASA-N -1 1 354.407 0.890 10 0 FCAEMM COc1cccc(S(=O)(=O)CCN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289470253 489069390 /nfs/dbraw/zinc/06/93/90/489069390.db2.gz QXDBICOHHRRGSV-LBPRGKRZSA-N -1 1 366.443 0.760 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)ccc2N1C ZINC000289802056 489094139 /nfs/dbraw/zinc/09/41/39/489094139.db2.gz YNTQAYGPVPJPLS-JQWIXIFHSA-N -1 1 370.413 0.895 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3ccnn3C)CC2)n1 ZINC000365636676 489094573 /nfs/dbraw/zinc/09/45/73/489094573.db2.gz KHKOTKLTDQQBFP-UHFFFAOYSA-N -1 1 361.406 0.804 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)OC)cc1[N-]S(C)(=O)=O ZINC000290388429 489136254 /nfs/dbraw/zinc/13/62/54/489136254.db2.gz RMNWFEHWZVGQAH-ZJUUUORDSA-N -1 1 373.431 0.545 10 0 FCAEMM Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282832718 489193369 /nfs/dbraw/zinc/19/33/69/489193369.db2.gz DNUCMLYMLFLDOC-HNNXBMFYSA-N -1 1 371.441 0.861 10 0 FCAEMM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000370035727 489307320 /nfs/dbraw/zinc/30/73/20/489307320.db2.gz GLHRLDFDKMXQNS-YPMLDQLKSA-N -1 1 369.381 0.373 10 0 FCAEMM COCc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000349569913 489318235 /nfs/dbraw/zinc/31/82/35/489318235.db2.gz COHKXXOUEMHDOU-UHFFFAOYSA-N -1 1 351.450 0.251 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(-c2nc(C3(COC)CCOCC3)no2)co1 ZINC000349708714 489330768 /nfs/dbraw/zinc/33/07/68/489330768.db2.gz BCZPLASNIQBUIM-UHFFFAOYSA-N -1 1 357.388 0.932 10 0 FCAEMM O=C(CN1C(=O)CSc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370856374 489413159 /nfs/dbraw/zinc/41/31/59/489413159.db2.gz LCPCSTPWNUZWIY-NSHDSACASA-N -1 1 360.399 0.239 10 0 FCAEMM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370860977 489414611 /nfs/dbraw/zinc/41/46/11/489414611.db2.gz MCCCFMKDBLQUII-UONOGXRCSA-N -1 1 356.386 0.404 10 0 FCAEMM CCOC(=O)[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccccc1 ZINC000416156672 489572785 /nfs/dbraw/zinc/57/27/85/489572785.db2.gz PHDCMFNUXJUXLO-NSHDSACASA-N -1 1 361.354 0.973 10 0 FCAEMM COCCOCCS(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000416546994 489608078 /nfs/dbraw/zinc/60/80/78/489608078.db2.gz MBBJYKWNESWYCX-WCQYABFASA-N -1 1 365.473 0.904 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c(=O)n(C)c1=O ZINC000416561666 489609552 /nfs/dbraw/zinc/60/95/52/489609552.db2.gz NJTHSHRRNVWXGH-UHFFFAOYSA-N -1 1 351.375 0.186 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)[n-]1 ZINC000427993082 489631918 /nfs/dbraw/zinc/63/19/18/489631918.db2.gz CSRFXXUTNDYKFR-LBPRGKRZSA-N -1 1 367.406 0.950 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000427993082 489631920 /nfs/dbraw/zinc/63/19/20/489631920.db2.gz CSRFXXUTNDYKFR-LBPRGKRZSA-N -1 1 367.406 0.950 10 0 FCAEMM COCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H]1CCOC1 ZINC000428562985 489654032 /nfs/dbraw/zinc/65/40/32/489654032.db2.gz YKWZWFCKVHLVNG-OAHLLOKOSA-N -1 1 372.425 0.947 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2cccc(N3CCCC3=O)c2)n1 ZINC000429427625 489687927 /nfs/dbraw/zinc/68/79/27/489687927.db2.gz PJBYDYKVMAAYDQ-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2cccc(N3CCCC3=O)c2)[n-]1 ZINC000429427625 489687931 /nfs/dbraw/zinc/68/79/31/489687931.db2.gz PJBYDYKVMAAYDQ-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000430315030 489730992 /nfs/dbraw/zinc/73/09/92/489730992.db2.gz MFHKZRAQDKITTH-SECBINFHSA-N -1 1 353.379 0.697 10 0 FCAEMM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000490262340 489757055 /nfs/dbraw/zinc/75/70/55/489757055.db2.gz SQGIKJQFAVQCRY-ZDUSSCGKSA-N -1 1 371.459 0.608 10 0 FCAEMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2n(C)c1=O ZINC000494666513 489903288 /nfs/dbraw/zinc/90/32/88/489903288.db2.gz QAOSLDTXKOJJST-UHFFFAOYSA-N -1 1 360.395 0.777 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1nnc2n1CCC2 ZINC000564067921 491287075 /nfs/dbraw/zinc/28/70/75/491287075.db2.gz CVURDKNWBFLVEJ-UHFFFAOYSA-N -1 1 355.402 0.491 10 0 FCAEMM COC(=O)CN1CCN(C(=O)c2c[nH]c3cc(OC)ccc3c2=O)CC1 ZINC000476891898 489922624 /nfs/dbraw/zinc/92/26/24/489922624.db2.gz GOUGGWMJHSOVOS-UHFFFAOYSA-N -1 1 359.382 0.468 10 0 FCAEMM CCOc1ccc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000461672651 489928712 /nfs/dbraw/zinc/92/87/12/489928712.db2.gz TZGLCHZEYDRGQW-UHFFFAOYSA-N -1 1 358.402 0.914 10 0 FCAEMM Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC000377598907 489929707 /nfs/dbraw/zinc/92/97/07/489929707.db2.gz HYOITSZOOAVJLV-TZMCWYRMSA-N -1 1 356.386 0.461 10 0 FCAEMM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000477023162 489932740 /nfs/dbraw/zinc/93/27/40/489932740.db2.gz XIJMZTWGYVMNPG-NXEZZACHSA-N -1 1 361.406 0.052 10 0 FCAEMM C[C@@H]1Cc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc2N1S(C)(=O)=O ZINC000477032969 489933431 /nfs/dbraw/zinc/93/34/31/489933431.db2.gz UGDFCUQWYXEHLT-SECBINFHSA-N -1 1 362.415 0.329 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000477042847 489935154 /nfs/dbraw/zinc/93/51/54/489935154.db2.gz YQKVWEFLMFWWRB-UHFFFAOYSA-N -1 1 365.279 0.613 10 0 FCAEMM COc1ccc([C@H]2[C@H](C(=O)NC3(c4nn[n-]n4)CC3)CCC(=O)N2C)cc1 ZINC000477038301 489935570 /nfs/dbraw/zinc/93/55/70/489935570.db2.gz YVKWVKWBGWYRNE-HIFRSBDPSA-N -1 1 370.413 0.923 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3nncs3)CC2)n1 ZINC000436100020 490006078 /nfs/dbraw/zinc/00/60/78/490006078.db2.gz MWWPLPJTBZHADO-UHFFFAOYSA-N -1 1 351.392 1.244 10 0 FCAEMM Cn1[n-]c(CSCCOCCN2C(=O)c3ccccc3C2=O)nc1=O ZINC000506433221 490091686 /nfs/dbraw/zinc/09/16/86/490091686.db2.gz PPBKLQSTOBVQQU-UHFFFAOYSA-N -1 1 362.411 0.654 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000407998465 490197872 /nfs/dbraw/zinc/19/78/72/490197872.db2.gz QOHNFXXTWICQRM-RYUDHWBXSA-N -1 1 372.447 0.685 10 0 FCAEMM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000408071014 490239064 /nfs/dbraw/zinc/23/90/64/490239064.db2.gz JIZIOJYUOOBKIM-UMNHJUIQSA-N -1 1 358.464 0.509 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000533572888 490258933 /nfs/dbraw/zinc/25/89/33/490258933.db2.gz VYZZABSBTGZBNX-NSHDSACASA-N -1 1 350.404 0.128 10 0 FCAEMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447761349 490270509 /nfs/dbraw/zinc/27/05/09/490270509.db2.gz VAUCCTOQKAUXET-NWDGAFQWSA-N -1 1 366.480 0.519 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2N2CCOCC2)n1 ZINC000483124229 490283189 /nfs/dbraw/zinc/28/31/89/490283189.db2.gz GMTSXCGFBFDUCY-UHFFFAOYSA-N -1 1 351.388 0.297 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2N2CCOCC2)[n-]1 ZINC000483124229 490283190 /nfs/dbraw/zinc/28/31/90/490283190.db2.gz GMTSXCGFBFDUCY-UHFFFAOYSA-N -1 1 351.388 0.297 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)o1 ZINC000556406742 491314406 /nfs/dbraw/zinc/31/44/06/491314406.db2.gz CRTKPEHIYHLHCF-CMPLNLGQSA-N -1 1 363.432 0.893 10 0 FCAEMM Cc1cc(F)cc(-n2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)nn2)c1 ZINC000448112389 490315328 /nfs/dbraw/zinc/31/53/28/490315328.db2.gz DRMWVMFKNBYMME-UHFFFAOYSA-N -1 1 365.350 0.489 10 0 FCAEMM Cc1cc(F)cc(-n2cc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)nn2)c1 ZINC000448112389 490315333 /nfs/dbraw/zinc/31/53/33/490315333.db2.gz DRMWVMFKNBYMME-UHFFFAOYSA-N -1 1 365.350 0.489 10 0 FCAEMM O=C(Cc1nn[n-]n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000408501653 490352470 /nfs/dbraw/zinc/35/24/70/490352470.db2.gz RCMJYBKWPZTCBJ-UHFFFAOYSA-N -1 1 350.404 0.556 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000548217839 490442596 /nfs/dbraw/zinc/44/25/96/490442596.db2.gz SAHBVSNIQLWCIL-OAHLLOKOSA-N -1 1 354.428 0.934 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H](O)C1CCC1 ZINC000450385353 490462898 /nfs/dbraw/zinc/46/28/98/490462898.db2.gz CPZQOEIQLFWGST-OAHLLOKOSA-N -1 1 370.427 0.513 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000548526869 490495524 /nfs/dbraw/zinc/49/55/24/490495524.db2.gz MDINMVMQUVSLRH-ZDUSSCGKSA-N -1 1 367.383 0.099 10 0 FCAEMM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000535533725 490497738 /nfs/dbraw/zinc/49/77/38/490497738.db2.gz OVYKBMBUVWSYLM-QMMMGPOBSA-N -1 1 352.372 0.722 10 0 FCAEMM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000535533725 490497742 /nfs/dbraw/zinc/49/77/42/490497742.db2.gz OVYKBMBUVWSYLM-QMMMGPOBSA-N -1 1 352.372 0.722 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)o1 ZINC000510469030 490520679 /nfs/dbraw/zinc/52/06/79/490520679.db2.gz JMSVGWOJYMJFBY-SECBINFHSA-N -1 1 365.429 0.700 10 0 FCAEMM COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(OC)c1OC ZINC000500575154 490535705 /nfs/dbraw/zinc/53/57/05/490535705.db2.gz GYTMUQUFKPHNLK-UHFFFAOYSA-N -1 1 356.360 0.486 10 0 FCAEMM COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(OC)c1OC ZINC000500575154 490535708 /nfs/dbraw/zinc/53/57/08/490535708.db2.gz GYTMUQUFKPHNLK-UHFFFAOYSA-N -1 1 356.360 0.486 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cn1C ZINC000536992891 490632046 /nfs/dbraw/zinc/63/20/46/490632046.db2.gz AOEXDGJARJCETC-UHFFFAOYSA-N -1 1 368.390 0.766 10 0 FCAEMM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000537124922 490650241 /nfs/dbraw/zinc/65/02/41/490650241.db2.gz NOTPSHNZTBGRBW-QMMMGPOBSA-N -1 1 356.433 0.189 10 0 FCAEMM CC(C)Cn1ncc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cnc21 ZINC000512565248 490687934 /nfs/dbraw/zinc/68/79/34/490687934.db2.gz OKUIYVBLPSSXKP-UHFFFAOYSA-N -1 1 363.403 0.861 10 0 FCAEMM CC(C)Cn1ncc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cnc21 ZINC000512565248 490687935 /nfs/dbraw/zinc/68/79/35/490687935.db2.gz OKUIYVBLPSSXKP-UHFFFAOYSA-N -1 1 363.403 0.861 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CNC(=O)c2cccc(Cl)c2)n1 ZINC000512665411 490691496 /nfs/dbraw/zinc/69/14/96/490691496.db2.gz MKAICZHVMPUKEG-UHFFFAOYSA-N -1 1 357.779 0.230 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CNC(=O)c2cccc(Cl)c2)[n-]1 ZINC000512665411 490691500 /nfs/dbraw/zinc/69/15/00/490691500.db2.gz MKAICZHVMPUKEG-UHFFFAOYSA-N -1 1 357.779 0.230 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512661893 490691587 /nfs/dbraw/zinc/69/15/87/490691587.db2.gz VDVZIKHIDMMVIM-VHSXEESVSA-N -1 1 357.436 0.431 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512661893 490691590 /nfs/dbraw/zinc/69/15/90/490691590.db2.gz VDVZIKHIDMMVIM-VHSXEESVSA-N -1 1 357.436 0.431 10 0 FCAEMM O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538226469 490721048 /nfs/dbraw/zinc/72/10/48/490721048.db2.gz SGYCRCGPACDUKJ-LBPRGKRZSA-N -1 1 356.365 0.998 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225174 490721085 /nfs/dbraw/zinc/72/10/85/490721085.db2.gz FCYSITGUXRCFFU-RWMBFGLXSA-N -1 1 360.418 0.471 10 0 FCAEMM O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000513472928 490732417 /nfs/dbraw/zinc/73/24/17/490732417.db2.gz OJIJJXRQNJWIJF-GFCCVEGCSA-N -1 1 370.331 0.916 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000572483278 491372976 /nfs/dbraw/zinc/37/29/76/491372976.db2.gz XPBBNGJMUNMVBM-CYBMUJFWSA-N -1 1 355.416 0.068 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H](C)C1 ZINC000539238160 490772190 /nfs/dbraw/zinc/77/21/90/490772190.db2.gz IUFAPARYBGVZFD-GFCCVEGCSA-N -1 1 358.398 0.633 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000540051456 490806428 /nfs/dbraw/zinc/80/64/28/490806428.db2.gz HKTLGTRSFGRCID-UHFFFAOYSA-N -1 1 369.424 0.990 10 0 FCAEMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540051716 490806528 /nfs/dbraw/zinc/80/65/28/490806528.db2.gz UYPBZTXPNVFCMT-SNVBAGLBSA-N -1 1 359.429 0.290 10 0 FCAEMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CNC(=O)c1cccnc1 ZINC000540250505 490811084 /nfs/dbraw/zinc/81/10/84/490811084.db2.gz WIRNDRFYXRBNAO-UHFFFAOYSA-N -1 1 366.374 0.961 10 0 FCAEMM CNC(=O)[C@H](CNc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccc(F)cc1C ZINC000572238718 491357790 /nfs/dbraw/zinc/35/77/90/491357790.db2.gz YUHYQAGUJHZKOR-NSHDSACASA-N -1 1 358.377 0.896 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000540423104 490821565 /nfs/dbraw/zinc/82/15/65/490821565.db2.gz IYNUUQNTGOYFFA-LLVKDONJSA-N -1 1 364.431 0.981 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(F)F)o1 ZINC000505454537 490830137 /nfs/dbraw/zinc/83/01/37/490830137.db2.gz XJWMZLSGBRAXPE-QMMMGPOBSA-N -1 1 365.358 0.303 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cccnn1 ZINC000528900746 490831425 /nfs/dbraw/zinc/83/14/25/490831425.db2.gz IKNUZKSRUUQITC-UHFFFAOYSA-N -1 1 364.383 0.455 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)cn1C ZINC000542056850 490883644 /nfs/dbraw/zinc/88/36/44/490883644.db2.gz RHDJVZXCUQVPEA-UHFFFAOYSA-N -1 1 367.427 0.865 10 0 FCAEMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000531281417 490949776 /nfs/dbraw/zinc/94/97/76/490949776.db2.gz IHFJQCNDMZSBDV-UHFFFAOYSA-N -1 1 369.374 0.455 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@H]1n1cccn1 ZINC000572494736 491373769 /nfs/dbraw/zinc/37/37/69/491373769.db2.gz LIQMJCYZOOZDOY-ZKYQVNSYSA-N -1 1 369.399 0.960 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@H]1C(=O)[O-] ZINC000566241768 491429722 /nfs/dbraw/zinc/42/97/22/491429722.db2.gz JSOSCKNPRNTVPY-BPLDGKMQSA-N -1 1 351.447 0.689 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3CCC2CC3)o1 ZINC000567952860 491542930 /nfs/dbraw/zinc/54/29/30/491542930.db2.gz BAKZKMSBPDTGIG-MCIGGMRASA-N -1 1 369.443 0.599 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCN3C(=O)c4ccccc4C3=O)nc2n1 ZINC000588006824 491737202 /nfs/dbraw/zinc/73/72/02/491737202.db2.gz XBNCOANWIKZROJ-UHFFFAOYSA-N -1 1 366.337 0.351 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)nc2n1 ZINC000588006530 491737242 /nfs/dbraw/zinc/73/72/42/491737242.db2.gz MTYGNQWMUKDWPA-GHMZBOCLSA-N -1 1 372.385 0.230 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(N)noc1C ZINC000584298537 491862597 /nfs/dbraw/zinc/86/25/97/491862597.db2.gz UYPLIVSYAKEJLM-LLVKDONJSA-N -1 1 354.388 0.413 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)o1 ZINC000594849909 491866619 /nfs/dbraw/zinc/86/66/19/491866619.db2.gz RLFODBSVXGNOJQ-NXEZZACHSA-N -1 1 365.429 0.700 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)co1 ZINC000600556547 491868378 /nfs/dbraw/zinc/86/83/78/491868378.db2.gz MKBDUHPJEFFNBN-AGIUHOORSA-N -1 1 370.427 0.992 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)co1 ZINC000600556555 491868390 /nfs/dbraw/zinc/86/83/90/491868390.db2.gz MKBDUHPJEFFNBN-RWMBFGLXSA-N -1 1 370.427 0.992 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000601362498 491908666 /nfs/dbraw/zinc/90/86/66/491908666.db2.gz WCNIEHVUFFOWSH-GDBMZVCRSA-N -1 1 366.439 0.974 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605381553 492093198 /nfs/dbraw/zinc/09/31/98/492093198.db2.gz ZNUFHFFGBDVOMC-UHFFFAOYSA-N -1 1 364.431 0.697 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(N3CCOCC3)cc2)n[n-]1 ZINC000615916950 492106853 /nfs/dbraw/zinc/10/68/53/492106853.db2.gz ICGWDBCRVRMMOB-UHFFFAOYSA-N -1 1 359.386 0.748 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(N3CCOCC3)cc2)n1 ZINC000615916950 492106855 /nfs/dbraw/zinc/10/68/55/492106855.db2.gz ICGWDBCRVRMMOB-UHFFFAOYSA-N -1 1 359.386 0.748 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)COc3ccccc32)n[n-]1 ZINC000615919096 492106954 /nfs/dbraw/zinc/10/69/54/492106954.db2.gz YDXLOGZFLWEKBW-UHFFFAOYSA-N -1 1 359.342 0.023 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)COc3ccccc32)n1 ZINC000615919096 492106956 /nfs/dbraw/zinc/10/69/56/492106956.db2.gz YDXLOGZFLWEKBW-UHFFFAOYSA-N -1 1 359.342 0.023 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCCNC(=O)c2ccccc2)n[n-]1 ZINC000615917420 492107275 /nfs/dbraw/zinc/10/72/75/492107275.db2.gz MPNLBGAIFJXOSQ-UHFFFAOYSA-N -1 1 359.386 0.808 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCCNC(=O)c2ccccc2)n1 ZINC000615917420 492107278 /nfs/dbraw/zinc/10/72/78/492107278.db2.gz MPNLBGAIFJXOSQ-UHFFFAOYSA-N -1 1 359.386 0.808 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCn2c3ccccc3n(C)c2=O)n[n-]1 ZINC000615919109 492107402 /nfs/dbraw/zinc/10/74/02/492107402.db2.gz ZVOPPYRLVWBHPG-UHFFFAOYSA-N -1 1 372.385 0.341 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCn2c3ccccc3n(C)c2=O)n1 ZINC000615919109 492107403 /nfs/dbraw/zinc/10/74/03/492107403.db2.gz ZVOPPYRLVWBHPG-UHFFFAOYSA-N -1 1 372.385 0.341 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cc(C(=O)OC)ccn3)nc2n1 ZINC000598891975 492120366 /nfs/dbraw/zinc/12/03/66/492120366.db2.gz ADWDBIGYTPOQRJ-UHFFFAOYSA-N -1 1 356.342 0.226 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](COC)[C@@H]2CCCO2)on1 ZINC000599293560 492156088 /nfs/dbraw/zinc/15/60/88/492156088.db2.gz ZHOYLKHIMIVYKQ-STQMWFEESA-N -1 1 362.404 0.465 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617262145 492161681 /nfs/dbraw/zinc/16/16/81/492161681.db2.gz ZBUGVCXGCCLEKF-ZDUSSCGKSA-N -1 1 355.402 0.734 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c1F ZINC000599418084 492170883 /nfs/dbraw/zinc/17/08/83/492170883.db2.gz VFJIHZFIXVWQJO-FKQCQYRASA-N -1 1 364.782 0.808 10 0 FCAEMM C[C@@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000608490338 492177940 /nfs/dbraw/zinc/17/79/40/492177940.db2.gz XGHYMTPWOCAUJO-YGRLFVJLSA-N -1 1 366.381 0.580 10 0 FCAEMM CO[C@@]1(CO)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000617795387 492192360 /nfs/dbraw/zinc/19/23/60/492192360.db2.gz YYRQOFHGBRANOR-INIZCTEOSA-N -1 1 374.459 0.970 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617891476 492203482 /nfs/dbraw/zinc/20/34/82/492203482.db2.gz ZHNNFSUPPAQSDQ-ONGXEEELSA-N -1 1 353.318 0.953 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CCF)C2)o1 ZINC000618691511 492235927 /nfs/dbraw/zinc/23/59/27/492235927.db2.gz QUIJVWUCJJKRDG-SNVBAGLBSA-N -1 1 361.395 0.255 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000600494460 492275294 /nfs/dbraw/zinc/27/52/94/492275294.db2.gz PWJIUBSWOCCUOL-UHFFFAOYSA-N -1 1 373.203 0.954 10 0 FCAEMM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585085 492325606 /nfs/dbraw/zinc/32/56/06/492325606.db2.gz BPKOXLJESMUCGY-XBVQOTNRSA-N -1 1 373.453 0.993 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3C(N)=O)C2)o1 ZINC000620892983 492342281 /nfs/dbraw/zinc/34/22/81/492342281.db2.gz UKVFWFWKKAHDBV-UHFFFAOYSA-N -1 1 363.395 0.485 10 0 FCAEMM CN1CC[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)S1(=O)=O ZINC000648851919 492466880 /nfs/dbraw/zinc/46/68/80/492466880.db2.gz FGDVANMJNLAJMP-LLVKDONJSA-N -1 1 365.408 0.170 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCc1ncn(C)n1 ZINC000648986144 492481603 /nfs/dbraw/zinc/48/16/03/492481603.db2.gz WLPXWLOBZZFCMZ-UHFFFAOYSA-N -1 1 357.418 0.862 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CC3(Cn4cnnn4)CCCCC3)nc2n1 ZINC000622869732 492491638 /nfs/dbraw/zinc/49/16/38/492491638.db2.gz DYLZECGBIYVAGC-UHFFFAOYSA-N -1 1 371.405 0.692 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)Nc1cn[nH]c1)[N-][C@@H]1CCCC1(F)F ZINC000656381926 492618073 /nfs/dbraw/zinc/61/80/73/492618073.db2.gz LSCWHDRJSOOKQT-SNVBAGLBSA-N -1 1 372.419 0.649 10 0 FCAEMM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1)C(C)(C)O ZINC000656383434 492619344 /nfs/dbraw/zinc/61/93/44/492619344.db2.gz OMVBHBQHWKDFAO-LLVKDONJSA-N -1 1 365.477 0.292 10 0 FCAEMM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000656512381 492627343 /nfs/dbraw/zinc/62/73/43/492627343.db2.gz JWVUGIJHQKKWQI-CQSZACIVSA-N -1 1 369.443 0.311 10 0 FCAEMM Cc1nc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)sc1Br ZINC000656564468 492634097 /nfs/dbraw/zinc/63/40/97/492634097.db2.gz NYKQASNHFXZDLX-SECBINFHSA-N -1 1 371.234 0.736 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)[C@H]1CCOC1 ZINC000656734206 492647629 /nfs/dbraw/zinc/64/76/29/492647629.db2.gz RXWOGYGNVDVGTD-AAEUAGOBSA-N -1 1 353.404 0.456 10 0 FCAEMM O=S(=O)([N-]CCN1CCOCC1)c1ncccc1Br ZINC000656860725 492652654 /nfs/dbraw/zinc/65/26/54/492652654.db2.gz MPDNOLJDEXSGDU-UHFFFAOYSA-N -1 1 350.238 0.455 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)c1C ZINC000629629763 492661064 /nfs/dbraw/zinc/66/10/64/492661064.db2.gz ROJJXVVHMGQJJU-LDYMZIIASA-N -1 1 350.466 0.486 10 0 FCAEMM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC[C@H](O)C4)nc3)c[n-]c-2n1 ZINC000629758470 492664861 /nfs/dbraw/zinc/66/48/61/492664861.db2.gz AAUIOUUGKWIWKY-LBPRGKRZSA-N -1 1 374.426 0.780 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H]1CN(C)CCO1 ZINC000656938975 492673828 /nfs/dbraw/zinc/67/38/28/492673828.db2.gz LAIRCZZSTZTCOO-MWLCHTKSSA-N -1 1 364.265 0.842 10 0 FCAEMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ncccc2Br)cn1 ZINC000656943532 492675684 /nfs/dbraw/zinc/67/56/84/492675684.db2.gz JVICKJYIEZVYOF-JTQLQIEISA-N -1 1 361.221 0.590 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCCOC1)c1ncccc1Br ZINC000657013175 492693739 /nfs/dbraw/zinc/69/37/39/492693739.db2.gz KSUIMAKVOLBAMT-KOLCDFICSA-N -1 1 365.249 0.910 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(F)c(F)c1F ZINC000657083380 492711457 /nfs/dbraw/zinc/71/14/57/492711457.db2.gz BINGLOBDEVJJFD-ZDUSSCGKSA-N -1 1 355.334 0.550 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC000625195022 492737268 /nfs/dbraw/zinc/73/72/68/492737268.db2.gz ORGGPKJRALLWSX-QWHCGFSZSA-N -1 1 358.391 0.060 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1ncccc1Br ZINC000625383568 492770221 /nfs/dbraw/zinc/77/02/21/492770221.db2.gz NPMZLTMIXNSZLX-ZJUUUORDSA-N -1 1 351.222 0.662 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000630833158 492777364 /nfs/dbraw/zinc/77/73/64/492777364.db2.gz NMEHBQOLHKNSGN-UHFFFAOYSA-N -1 1 354.414 0.960 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000631270131 492807414 /nfs/dbraw/zinc/80/74/14/492807414.db2.gz AIFRSESTCVZPBQ-OAHLLOKOSA-N -1 1 369.429 0.082 10 0 FCAEMM CC[C@H](NC(=O)CCc1nn[n-]n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000631806030 492856482 /nfs/dbraw/zinc/85/64/82/492856482.db2.gz ZNDMWDHCTOXLDT-HOTGVXAUSA-N -1 1 358.446 0.928 10 0 FCAEMM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)C1 ZINC000632014030 492910062 /nfs/dbraw/zinc/91/00/62/492910062.db2.gz ZQGFNOLRASIPSE-ZWNOBZJWSA-N -1 1 350.387 0.248 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CN1c1ccc(F)cc1 ZINC000632197421 492948527 /nfs/dbraw/zinc/94/85/27/492948527.db2.gz QAYMCJISUQZYRV-KGLIPLIRSA-N -1 1 367.402 0.224 10 0 FCAEMM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)[N-]C2(C(F)F)CCCC2)C1 ZINC000632340655 492977289 /nfs/dbraw/zinc/97/72/89/492977289.db2.gz JYGUSPSMSVQBQS-SNVBAGLBSA-N -1 1 360.448 0.765 10 0 FCAEMM Cc1nc(C(=O)N=c2ncn(C(C)C)[n-]2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000652728660 493006714 /nfs/dbraw/zinc/00/67/14/493006714.db2.gz VHOSSLYPYHINIP-UHFFFAOYSA-N -1 1 370.299 0.559 10 0 FCAEMM COC1(CS(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)CCOCC1 ZINC000632643182 493055816 /nfs/dbraw/zinc/05/58/16/493055816.db2.gz BYTMQNKFVUNSIO-SNVBAGLBSA-N -1 1 372.369 0.497 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)c(=O)n(C)c1=O ZINC000632686129 493065223 /nfs/dbraw/zinc/06/52/23/493065223.db2.gz YDQJPQAVAZVVNO-ZDUSSCGKSA-N -1 1 371.459 0.102 10 0 FCAEMM CN1C[C@H](N[C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CCC1=O ZINC000653285365 493089673 /nfs/dbraw/zinc/08/96/73/493089673.db2.gz MRFLRRHPRYASHW-KGLIPLIRSA-N -1 1 359.382 0.223 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000659392837 493201622 /nfs/dbraw/zinc/20/16/22/493201622.db2.gz SYLUPJRMQAOGDV-VMUDFCTBSA-N -1 1 355.435 0.228 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cccc(F)c1 ZINC000659667589 493241243 /nfs/dbraw/zinc/24/12/43/493241243.db2.gz BEHQCJRCNGUEEA-AWEZNQCLSA-N -1 1 365.405 0.916 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)O)cc1[N-]S(C)(=O)=O ZINC000682198225 493277953 /nfs/dbraw/zinc/27/79/53/493277953.db2.gz BLAYRAKZRMZVLM-VIFPVBQESA-N -1 1 373.431 0.281 10 0 FCAEMM NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000682411735 493298079 /nfs/dbraw/zinc/29/80/79/493298079.db2.gz XFRJUUIEAYCTST-UHFFFAOYSA-N -1 1 362.411 0.397 10 0 FCAEMM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000668872988 493426807 /nfs/dbraw/zinc/42/68/07/493426807.db2.gz ZEOWSKWAUBTMFM-LLVKDONJSA-N -1 1 356.452 0.192 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](CO)CN1CCOCC1 ZINC000670385145 493559837 /nfs/dbraw/zinc/55/98/37/493559837.db2.gz BBIDKZCPPOKURR-LBPRGKRZSA-N -1 1 352.435 0.211 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663616912 493604864 /nfs/dbraw/zinc/60/48/64/493604864.db2.gz ANPMBQDYJFGRFK-CABCVRRESA-N -1 1 369.462 0.077 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCC1 ZINC000663620519 493605211 /nfs/dbraw/zinc/60/52/11/493605211.db2.gz ZWINXWRDTZTMFV-SJORKVTESA-N -1 1 373.453 0.994 10 0 FCAEMM CCC[C@H](O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000678374787 493642181 /nfs/dbraw/zinc/64/21/81/493642181.db2.gz ZDMWBGNBQYMESS-LBPRGKRZSA-N -1 1 372.443 0.903 10 0 FCAEMM Cn1nnnc1CC[N-]S(=O)(=O)c1sccc1Br ZINC000678493805 493646585 /nfs/dbraw/zinc/64/65/85/493646585.db2.gz SOXLMJNSONKIAE-UHFFFAOYSA-N -1 1 352.239 0.555 10 0 FCAEMM Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1S(N)(=O)=O ZINC000678797030 493661166 /nfs/dbraw/zinc/66/11/66/493661166.db2.gz OSCFHEGQEJUASA-NSHDSACASA-N -1 1 350.404 0.175 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c(=O)n(C)c1=O ZINC000680095818 493706923 /nfs/dbraw/zinc/70/69/23/493706923.db2.gz YKPHFHWFBPFGDK-UHFFFAOYSA-N -1 1 351.375 0.330 10 0 FCAEMM COc1ccc(NC(=O)CCc2cn(C)nn2)cc1[N-]S(C)(=O)=O ZINC000665964970 493746962 /nfs/dbraw/zinc/74/69/62/493746962.db2.gz ASVRNQLRUQHYJW-UHFFFAOYSA-N -1 1 353.404 0.767 10 0 FCAEMM Cn1nccc1[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000592105812 546607950 /nfs/dbraw/zinc/60/79/50/546607950.db2.gz JWPYRZIFJGSDDB-YPMHNXCESA-N -1 1 359.448 0.901 10 0 FCAEMM Cn1nccc1[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000592105811 546608058 /nfs/dbraw/zinc/60/80/58/546608058.db2.gz JWPYRZIFJGSDDB-WCQYABFASA-N -1 1 359.448 0.901 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ccnn1C ZINC000592093574 546609217 /nfs/dbraw/zinc/60/92/17/546609217.db2.gz SVEKSVWLIVDRPL-ZDUSSCGKSA-N -1 1 367.383 0.384 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccnn1C ZINC000592093779 546610738 /nfs/dbraw/zinc/61/07/38/546610738.db2.gz YBQQRCCHQNHBMW-CQSZACIVSA-N -1 1 367.383 0.384 10 0 FCAEMM COC(=O)Cn1cc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cn1 ZINC000592351228 546629818 /nfs/dbraw/zinc/62/98/18/546629818.db2.gz IKAWODXXBKZENU-ZDUSSCGKSA-N -1 1 361.420 0.239 10 0 FCAEMM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[nH]c21 ZINC000592608710 546657201 /nfs/dbraw/zinc/65/72/01/546657201.db2.gz ZREDVJPRERAAQZ-JTQLQIEISA-N -1 1 352.372 0.322 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CCSC1 ZINC000594767640 546821435 /nfs/dbraw/zinc/82/14/35/546821435.db2.gz UQULIZJFXYUUIU-MDZLAQPJSA-N -1 1 353.462 0.006 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000594803908 546827539 /nfs/dbraw/zinc/82/75/39/546827539.db2.gz QOYACBZZZDXLCK-LBPRGKRZSA-N -1 1 354.428 0.693 10 0 FCAEMM CCOC(=O)COCC[N-]S(=O)(=O)c1ncccc1Br ZINC000594779440 546833033 /nfs/dbraw/zinc/83/30/33/546833033.db2.gz OFZHYSYBUTVAKW-UHFFFAOYSA-N -1 1 367.221 0.702 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@@H]1n1cccn1 ZINC000550015726 547076728 /nfs/dbraw/zinc/07/67/28/547076728.db2.gz ZZCLAPBNZAEGDM-SCRDCRAPSA-N -1 1 369.399 0.960 10 0 FCAEMM COC(=O)c1cn(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)nn1 ZINC000551575521 547153471 /nfs/dbraw/zinc/15/34/71/547153471.db2.gz GLTCBAPZIZLSMI-UHFFFAOYSA-N -1 1 362.770 0.836 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)o1 ZINC000619984240 547335630 /nfs/dbraw/zinc/33/56/30/547335630.db2.gz MTOLXBMDTVDOHW-SNVBAGLBSA-N -1 1 358.420 0.016 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C)C2)c(Br)n1C ZINC000723383375 663380143 /nfs/dbraw/zinc/38/01/43/663380143.db2.gz INKZPSCPQBCUQW-MRVPVSSYSA-N -1 1 365.253 0.248 10 0 FCAEMM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000291911585 663522574 /nfs/dbraw/zinc/52/25/74/663522574.db2.gz SKHUWPXJEMFMDZ-UONOGXRCSA-N -1 1 372.447 0.116 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CCOC[C@@H]1CO ZINC000236498405 664036922 /nfs/dbraw/zinc/03/69/22/664036922.db2.gz MUHWKVKTIOQLLW-VIFPVBQESA-N -1 1 363.151 0.830 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CCCn2ccnn2)c(Br)n1C ZINC000313728850 664146708 /nfs/dbraw/zinc/14/67/08/664146708.db2.gz XVKKUEFPIJCMFK-UHFFFAOYSA-N -1 1 363.241 0.451 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)n1 ZINC000726982539 665005437 /nfs/dbraw/zinc/00/54/37/665005437.db2.gz VRBOSWLEBFRZAC-UHFFFAOYSA-N -1 1 356.364 0.765 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)[n-]1 ZINC000726982539 665005438 /nfs/dbraw/zinc/00/54/38/665005438.db2.gz VRBOSWLEBFRZAC-UHFFFAOYSA-N -1 1 356.364 0.765 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000866947172 665237686 /nfs/dbraw/zinc/23/76/86/665237686.db2.gz NMOGWWDNYICEHZ-SNVBAGLBSA-N -1 1 357.310 0.049 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867521291 665245504 /nfs/dbraw/zinc/24/55/04/665245504.db2.gz UXRTUIOWKMCZTQ-SNVBAGLBSA-N -1 1 372.216 0.752 10 0 FCAEMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866963723 665252799 /nfs/dbraw/zinc/25/27/99/665252799.db2.gz XMGBSGSQEVQKJL-MRVPVSSYSA-N -1 1 369.369 0.521 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000866968570 665255715 /nfs/dbraw/zinc/25/57/15/665255715.db2.gz OIKWDCKDIVNDBG-BYVOGVQKSA-N -1 1 353.510 0.582 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000908734607 666216507 /nfs/dbraw/zinc/21/65/07/666216507.db2.gz VHUJHPPNHPSWDY-CVEARBPZSA-N -1 1 352.479 0.766 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000921338841 666436209 /nfs/dbraw/zinc/43/62/09/666436209.db2.gz RCNKCEAVKJRBSF-NSHDSACASA-N -1 1 369.237 0.014 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)o1 ZINC000921323576 666438418 /nfs/dbraw/zinc/43/84/18/666438418.db2.gz KJGPBGPCKVCIPO-WDEREUQCSA-N -1 1 360.457 0.924 10 0 FCAEMM O=C(C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1)c1ccc([O-])cc1 ZINC000913124543 666504322 /nfs/dbraw/zinc/50/43/22/666504322.db2.gz HWODMJICJXQACE-HNNXBMFYSA-N -1 1 366.439 0.296 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CSCN2C(C)=O)cc1 ZINC000730310773 666626551 /nfs/dbraw/zinc/62/65/51/666626551.db2.gz KYIRLYLCCVBWEE-ZDUSSCGKSA-N -1 1 366.395 0.416 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C(N)=O)CC2)c1F ZINC000914247831 666731302 /nfs/dbraw/zinc/73/13/02/666731302.db2.gz MKSGZEMUXYTGNG-UHFFFAOYSA-N -1 1 367.196 0.893 10 0 FCAEMM CN1CC[C@@](O)(CNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)C1 ZINC000914372423 666747552 /nfs/dbraw/zinc/74/75/52/666747552.db2.gz ROUPGFNGNGLJIS-GFCCVEGCSA-N -1 1 370.349 0.636 10 0 FCAEMM Cn1ncc(C(=O)N2CCC[C@H]2c2nn[n-]n2)c1I ZINC000720648175 674782605 /nfs/dbraw/zinc/78/26/05/674782605.db2.gz JPCBZRFRBWUGNN-ZETCQYMHSA-N -1 1 373.158 0.515 10 0 FCAEMM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000735767911 667044622 /nfs/dbraw/zinc/04/46/22/667044622.db2.gz DGZLLBHYPPKXNG-GFCCVEGCSA-N -1 1 366.399 0.565 10 0 FCAEMM NC(=O)NCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000735809396 667050105 /nfs/dbraw/zinc/05/01/05/667050105.db2.gz FDFXTGWWTPRFKN-UHFFFAOYSA-N -1 1 362.411 0.886 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1sccc1Cl ZINC000918377105 667116531 /nfs/dbraw/zinc/11/65/31/667116531.db2.gz CKTJNEKNTRHAPQ-UHFFFAOYSA-N -1 1 352.865 0.781 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1ccc(C(F)F)o1 ZINC000918377873 667116776 /nfs/dbraw/zinc/11/67/76/667116776.db2.gz MGAGLTCMCFOMJU-UHFFFAOYSA-N -1 1 352.359 0.597 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCCN1CC(F)(F)F ZINC000921599249 667141465 /nfs/dbraw/zinc/14/14/65/667141465.db2.gz QMMKLIILBZCXGW-GSDQLPOLSA-N -1 1 351.416 0.965 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)c1C(F)(F)F ZINC000866973983 667150019 /nfs/dbraw/zinc/15/00/19/667150019.db2.gz PMGQYTNTZHDMLA-SSDOTTSWSA-N -1 1 361.367 0.294 10 0 FCAEMM O=C1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)nc2F)CN1 ZINC000921649476 667208114 /nfs/dbraw/zinc/20/81/14/667208114.db2.gz IRUGYFGQXOXNOL-ZETCQYMHSA-N -1 1 366.212 0.788 10 0 FCAEMM CN1C[C@@H](CC[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000921049471 667266080 /nfs/dbraw/zinc/26/60/80/667266080.db2.gz RJUHRJBVTSFPGF-VIFPVBQESA-N -1 1 362.249 0.991 10 0 FCAEMM CN1C[C@@H](CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000921050416 667266202 /nfs/dbraw/zinc/26/62/02/667266202.db2.gz YJVYCEVGTMRPPP-QMMMGPOBSA-N -1 1 354.354 0.586 10 0 FCAEMM C[C@H]1CCN(C(=O)NCCS(C)(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805019917 667529782 /nfs/dbraw/zinc/52/97/82/667529782.db2.gz MMUOYQYWZUKDIJ-GUBZILKMSA-N -1 1 373.397 0.518 10 0 FCAEMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCN1C1CCOCC1 ZINC000921912423 667540520 /nfs/dbraw/zinc/54/05/20/667540520.db2.gz RJWFCRFVNQYJAJ-MCMMXHMISA-N -1 1 367.537 0.970 10 0 FCAEMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCN1C1CCOCC1 ZINC000921912421 667540578 /nfs/dbraw/zinc/54/05/78/667540578.db2.gz RJWFCRFVNQYJAJ-DMZKTXOQSA-N -1 1 367.537 0.970 10 0 FCAEMM COC[C@@H](CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)OC ZINC000710623413 667792684 /nfs/dbraw/zinc/79/26/84/667792684.db2.gz ADANHWCCWCRGOK-SECBINFHSA-N -1 1 370.269 0.821 10 0 FCAEMM CCOCCOCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923256371 667819862 /nfs/dbraw/zinc/81/98/62/667819862.db2.gz XTKUUBORSQVCBD-MNOVXSKESA-N -1 1 356.341 0.636 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000740888574 668007972 /nfs/dbraw/zinc/00/79/72/668007972.db2.gz MSSSUAWMAUHFIG-LBPRGKRZSA-N -1 1 354.428 0.318 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C)c1ccc2c(c1)CCO2 ZINC000768899016 668104417 /nfs/dbraw/zinc/10/44/17/668104417.db2.gz IPZLQLMPAOKOIG-AWEZNQCLSA-N -1 1 351.384 0.846 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCSC[C@H]1CCO ZINC000769004088 668109267 /nfs/dbraw/zinc/10/92/67/668109267.db2.gz GYRZBMKLUMIFMW-GFCCVEGCSA-N -1 1 350.444 0.921 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]CC2(C)COC2)c(=O)[nH]c1=O ZINC000769651404 668146263 /nfs/dbraw/zinc/14/62/63/668146263.db2.gz IEANBRILZZKHAL-UHFFFAOYSA-N -1 1 359.448 0.844 10 0 FCAEMM CCC(=O)N1CCC[C@@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782647512 668573572 /nfs/dbraw/zinc/57/35/72/668573572.db2.gz UWJAEIOSIBMPKZ-LLVKDONJSA-N -1 1 368.352 0.873 10 0 FCAEMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000783528139 668619108 /nfs/dbraw/zinc/61/91/08/668619108.db2.gz BYFXIUXZPZEXMQ-UHFFFAOYSA-N -1 1 360.392 0.417 10 0 FCAEMM C[C@H]1[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997349 668818655 /nfs/dbraw/zinc/81/86/55/668818655.db2.gz DDOGCBZCENDUBD-IUCAKERBSA-N -1 1 373.435 0.792 10 0 FCAEMM C[C@H]1[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997349 668818656 /nfs/dbraw/zinc/81/86/56/668818656.db2.gz DDOGCBZCENDUBD-IUCAKERBSA-N -1 1 373.435 0.792 10 0 FCAEMM O=C(CC1OCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000788622807 668835571 /nfs/dbraw/zinc/83/55/71/668835571.db2.gz BJYFKYWEPFUCQA-UHFFFAOYSA-N -1 1 372.399 0.115 10 0 FCAEMM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795894416 669069519 /nfs/dbraw/zinc/06/95/19/669069519.db2.gz BOCYFVHUIYDBOI-MRVPVSSYSA-N -1 1 369.798 0.941 10 0 FCAEMM CCn1cncc1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798462594 669239616 /nfs/dbraw/zinc/23/96/16/669239616.db2.gz MAPFEPWZOGXXBL-UHFFFAOYSA-N -1 1 368.381 0.982 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)c1ccnn1C ZINC000828132686 669619069 /nfs/dbraw/zinc/61/90/69/669619069.db2.gz MXRHNOSPMRMCBG-HUUCEWRRSA-N -1 1 367.427 0.941 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088204 669662740 /nfs/dbraw/zinc/66/27/40/669662740.db2.gz HFKZSBISRZPDGD-DCAQKATOSA-N -1 1 358.382 0.884 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2COCCOC2)c1F ZINC000813739560 669852099 /nfs/dbraw/zinc/85/20/99/669852099.db2.gz WGLJVUCUVQUPFL-UHFFFAOYSA-N -1 1 351.327 0.445 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)c1C(F)(F)F ZINC000867106018 669941013 /nfs/dbraw/zinc/94/10/13/669941013.db2.gz XRSRTYHZXALQEA-UHFFFAOYSA-N -1 1 363.383 0.540 10 0 FCAEMM COCCN1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000867149874 670018409 /nfs/dbraw/zinc/01/84/09/670018409.db2.gz YQIYGIVXFMSAEZ-XMHCIUCPSA-N -1 1 361.489 0.698 10 0 FCAEMM CN1CC2(CN(C(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2)OC1=O ZINC000817655153 670023217 /nfs/dbraw/zinc/02/32/17/670023217.db2.gz VXSBSXZIEMFQSE-UHFFFAOYSA-N -1 1 371.415 0.633 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3cnn(C)c3C2)CCC1 ZINC000843012950 670766017 /nfs/dbraw/zinc/76/60/17/670766017.db2.gz ADZISNPKNMBBGW-GFCCVEGCSA-N -1 1 354.476 0.455 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)CCC1 ZINC000843016408 670767272 /nfs/dbraw/zinc/76/72/72/670767272.db2.gz OXCFPYZZDWOVKM-UHFFFAOYSA-N -1 1 351.472 0.979 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnc(-n3cccn3)c2)CCC1 ZINC000843018612 670768527 /nfs/dbraw/zinc/76/85/27/670768527.db2.gz PSYOZMCDOBHKTO-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)c2n1 ZINC000843018879 670768593 /nfs/dbraw/zinc/76/85/93/670768593.db2.gz WJSAIDBKRUTIIY-UHFFFAOYSA-N -1 1 351.432 0.582 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)cc2)CCC1 ZINC000843018439 670768628 /nfs/dbraw/zinc/76/86/28/670768628.db2.gz SEIIKUGRPGXCQL-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019497 670769231 /nfs/dbraw/zinc/76/92/31/670769231.db2.gz RPXYRAIGVHMQMZ-ZDUSSCGKSA-N -1 1 359.492 0.564 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H](O)C(F)F ZINC000867331054 670846822 /nfs/dbraw/zinc/84/68/22/670846822.db2.gz OCGHAQMZOZOORV-IYSWYEEDSA-N -1 1 362.196 0.866 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000845219590 670980631 /nfs/dbraw/zinc/98/06/31/670980631.db2.gz MGKFGTSWYCWBLU-MNOVXSKESA-N -1 1 352.391 0.748 10 0 FCAEMM CCON(C)C(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000846501662 671119322 /nfs/dbraw/zinc/11/93/22/671119322.db2.gz KTCBGVATCVHAAY-UHFFFAOYSA-N -1 1 361.420 0.496 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O)[C@H]1CCOC1 ZINC000849393655 671335109 /nfs/dbraw/zinc/33/51/09/671335109.db2.gz BPRLTGFRNSWQQQ-ZCDTZLGTSA-N -1 1 357.428 0.452 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(=O)[nH]c1=O ZINC000849418591 671340409 /nfs/dbraw/zinc/34/04/09/671340409.db2.gz CCJVIGINUZTGPI-CYBMUJFWSA-N -1 1 373.475 0.969 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H](O)C(F)(F)F ZINC000867646063 671352937 /nfs/dbraw/zinc/35/29/37/671352937.db2.gz CBTHKYGDKQDBDI-NJGYIYPDSA-N -1 1 366.159 0.773 10 0 FCAEMM CCc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC000851700858 671460421 /nfs/dbraw/zinc/46/04/21/671460421.db2.gz DEYMHNOGBYGETD-GMSGAONNSA-N -1 1 363.292 0.973 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncnc1 ZINC000851703506 671461917 /nfs/dbraw/zinc/46/19/17/671461917.db2.gz PKTGZRSTFZRRLN-ONGXEEELSA-N -1 1 360.292 0.142 10 0 FCAEMM CCc1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852734488 671520808 /nfs/dbraw/zinc/52/08/08/671520808.db2.gz BNXMTLJXZCRQEV-GMSGAONNSA-N -1 1 350.297 0.728 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852958185 671533968 /nfs/dbraw/zinc/53/39/68/671533968.db2.gz FXCRWHSQZKLSFZ-MWLCHTKSSA-N -1 1 363.292 0.648 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc(C(N)=O)o2)CCC1 ZINC000853130627 671538101 /nfs/dbraw/zinc/53/81/01/671538101.db2.gz DNHFDPJDTQKUDR-FNORWQNLSA-N -1 1 355.416 0.322 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccn(C)c(=O)n1 ZINC000903198657 675919630 /nfs/dbraw/zinc/91/96/30/675919630.db2.gz OETCLQWVTSSPMW-CYBMUJFWSA-N -1 1 355.391 0.919 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCN1S(C)(=O)=O ZINC000855822606 671664836 /nfs/dbraw/zinc/66/48/36/671664836.db2.gz QIQZRTZMCFWYEJ-SECBINFHSA-N -1 1 355.445 0.124 10 0 FCAEMM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2O)CCN1S(C)(=O)=O ZINC000855822920 671664855 /nfs/dbraw/zinc/66/48/55/671664855.db2.gz LHMDWQSSYXEVKN-SNVBAGLBSA-N -1 1 350.400 0.441 10 0 FCAEMM CC(C)(C)OC(=O)C1(CNC(=O)CCn2cc[n-]c(=O)c2=O)CCC1 ZINC000856310751 671682759 /nfs/dbraw/zinc/68/27/59/671682759.db2.gz CTHOPCXVEHKADI-UHFFFAOYSA-N -1 1 351.403 0.555 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)sc1C ZINC000856763319 671700828 /nfs/dbraw/zinc/70/08/28/671700828.db2.gz HFSRWSJLTYLGCB-UHFFFAOYSA-N -1 1 361.367 0.991 10 0 FCAEMM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1sccc1Cl ZINC000903538525 675940488 /nfs/dbraw/zinc/94/04/88/675940488.db2.gz BZIVFMWQFWOAPX-MRVPVSSYSA-N -1 1 358.894 0.457 10 0 FCAEMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859000713 671788381 /nfs/dbraw/zinc/78/83/81/671788381.db2.gz BXCHIZNHKXDHBK-LURJTMIESA-N -1 1 352.185 0.492 10 0 FCAEMM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859088951 671792977 /nfs/dbraw/zinc/79/29/77/671792977.db2.gz ZLFPACOEHHHGQD-ZETCQYMHSA-N -1 1 357.201 0.659 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C(c2ccnn2C)c2ccnn2C)c1Cl ZINC000859406472 671824000 /nfs/dbraw/zinc/82/40/00/671824000.db2.gz JVKUEUNPRZAKIS-UHFFFAOYSA-N -1 1 369.838 0.608 10 0 FCAEMM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CCO1 ZINC000903642433 675956906 /nfs/dbraw/zinc/95/69/06/675956906.db2.gz NJKOUVGOIXHFSJ-SNVBAGLBSA-N -1 1 364.436 0.002 10 0 FCAEMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000864159564 672176756 /nfs/dbraw/zinc/17/67/56/672176756.db2.gz FWZIQCVEVCCMEI-WCQGTBRESA-N -1 1 354.325 0.340 10 0 FCAEMM Cc1nc(C(=O)NC2CC(C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000864204636 672179821 /nfs/dbraw/zinc/17/98/21/672179821.db2.gz JXQNEJXQWINFMQ-UHFFFAOYSA-N -1 1 359.268 0.306 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=S)NCCN2CCOCC2)C1 ZINC000865275135 672236849 /nfs/dbraw/zinc/23/68/49/672236849.db2.gz IEBNXQXWJITKPS-ZDUSSCGKSA-N -1 1 368.425 0.336 10 0 FCAEMM O=C(c1c(F)cncc1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000865595312 672246091 /nfs/dbraw/zinc/24/60/91/672246091.db2.gz HWWCMCMXUHEJDO-QMMMGPOBSA-N -1 1 357.143 0.710 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)c1C(F)(F)F ZINC000866494652 672278366 /nfs/dbraw/zinc/27/83/66/672278366.db2.gz GQQLUCQNIQULTM-UHFFFAOYSA-N -1 1 354.354 0.730 10 0 FCAEMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866500678 672278590 /nfs/dbraw/zinc/27/85/90/672278590.db2.gz YCEUXWOXFPRINS-XMHCIUCPSA-N -1 1 361.489 0.698 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c1C(F)(F)F ZINC000867465837 672320975 /nfs/dbraw/zinc/32/09/75/672320975.db2.gz HPPLDFFCSVUHSU-NSHDSACASA-N -1 1 357.354 0.649 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3c(nnn3C)C2)c1C(F)(F)F ZINC000867485465 672324154 /nfs/dbraw/zinc/32/41/54/672324154.db2.gz BCBWFGNHXBNVDN-SSDOTTSWSA-N -1 1 364.353 0.403 10 0 FCAEMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCS1(=O)=O ZINC000867563122 672337842 /nfs/dbraw/zinc/33/78/42/672337842.db2.gz WFIDEMNVEUOMIO-RNFRBKRXSA-N -1 1 361.367 0.293 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3ccc(F)c(F)c3F)COCCN12 ZINC000867751455 672363792 /nfs/dbraw/zinc/36/37/92/672363792.db2.gz OIDKPVUMINIFEO-CYBMUJFWSA-N -1 1 366.317 0.603 10 0 FCAEMM CCOC(=O)[C@H](CC=C(C)C)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000867761262 672364361 /nfs/dbraw/zinc/36/43/61/672364361.db2.gz ZLJKQRFEIOQXNF-KBPBESRZSA-N -1 1 358.460 0.957 10 0 FCAEMM C[C@H](O)[C@@H](O)CNC(=O)c1ccc(I)cc1[O-] ZINC000871122717 672529559 /nfs/dbraw/zinc/52/95/59/672529559.db2.gz KBGTTXCMQKUIID-WKEGUHRASA-N -1 1 351.140 0.468 10 0 FCAEMM Cc1nn(CC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(=O)o1 ZINC000880771140 673206690 /nfs/dbraw/zinc/20/66/90/673206690.db2.gz ZXDCEHSYNZWBCG-APPZFPTMSA-N -1 1 350.297 0.060 10 0 FCAEMM C[C@@H](O)[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000717387425 673576890 /nfs/dbraw/zinc/57/68/90/673576890.db2.gz SUNQBRVGWMLETN-LHLIQPBNSA-N -1 1 351.140 0.468 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c(Br)n1C ZINC000717575622 673627613 /nfs/dbraw/zinc/62/76/13/673627613.db2.gz ISSQFUGUCAYSFL-SECBINFHSA-N -1 1 352.254 0.930 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000926679099 673839969 /nfs/dbraw/zinc/83/99/69/673839969.db2.gz WPPUKWINMBPVCU-ZHPDPMBESA-N -1 1 365.352 0.643 10 0 FCAEMM COCC(=O)N1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927779879 673881107 /nfs/dbraw/zinc/88/11/07/673881107.db2.gz KSRJXVUNEGXUJM-UHFFFAOYSA-N -1 1 357.357 0.713 10 0 FCAEMM CN1CCOC[C@]1(CO)CNC(=O)NCCc1c(F)cc([O-])cc1F ZINC000927784854 673881499 /nfs/dbraw/zinc/88/14/99/673881499.db2.gz NGDWWLFURPZKEJ-MRXNPFEDSA-N -1 1 359.373 0.205 10 0 FCAEMM O=C(NCCCn1cccn1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929354306 673951996 /nfs/dbraw/zinc/95/19/96/673951996.db2.gz QZNMDLVSNPJAHB-UHFFFAOYSA-N -1 1 352.341 0.732 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801367700 675778742 /nfs/dbraw/zinc/77/87/42/675778742.db2.gz WSBCKYCURHVLOQ-UHFFFAOYSA-N -1 1 353.400 0.982 10 0 FCAEMM O=C(NCC1(OCCO)CCOCC1)c1ccc2n[n-]c(=S)n2c1 ZINC001625861139 1168441888 /nfs/dbraw/zinc/44/18/88/1168441888.db2.gz RQDHDCARFZLJRT-UHFFFAOYSA-N -1 1 352.416 0.306 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)C(C)(C)F)[C@H](C)C1 ZINC001719694869 1179446161 /nfs/dbraw/zinc/44/61/61/1179446161.db2.gz DGZQKNXHLOFEGL-RKDXNWHRSA-N -1 1 370.381 0.469 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001719735595 1179839206 /nfs/dbraw/zinc/83/92/06/1179839206.db2.gz AGQDRXRNLWPUBS-VXGBXAGGSA-N -1 1 358.402 0.362 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001719735595 1179839207 /nfs/dbraw/zinc/83/92/07/1179839207.db2.gz AGQDRXRNLWPUBS-VXGBXAGGSA-N -1 1 358.402 0.362 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1ccc(=O)[nH]n1 ZINC001719741185 1179856425 /nfs/dbraw/zinc/85/64/25/1179856425.db2.gz VYCXGURWHLVPEM-VXGBXAGGSA-N -1 1 371.397 0.811 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001745194090 1181447009 /nfs/dbraw/zinc/44/70/09/1181447009.db2.gz KDFVGLFNCBIWPF-MIBAYGRRSA-N -1 1 372.425 0.671 10 0 FCAEMM CC(C)CC(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn[nH]1)C2 ZINC001719842172 1186263406 /nfs/dbraw/zinc/26/34/06/1186263406.db2.gz ODZNMWWXWBMNEW-DYEKYZERSA-N -1 1 362.434 0.219 10 0 FCAEMM CC[C@]1(CO)CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687391163 1188352329 /nfs/dbraw/zinc/35/23/29/1188352329.db2.gz UJBGBNJWDTZFKW-KRWDZBQOSA-N -1 1 350.419 0.949 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H]3CCNC3=O)c2)n1 ZINC001270989925 1189472949 /nfs/dbraw/zinc/47/29/49/1189472949.db2.gz MMBLUHOEUVIFPJ-ZDUSSCGKSA-N -1 1 371.397 0.791 10 0 FCAEMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000744626699 1198322659 /nfs/dbraw/zinc/32/26/59/1198322659.db2.gz SKNUEQVWOOHYPX-ALCCZGGFSA-N -1 1 372.377 0.791 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCc3cc(F)ccc3F)ccnc1-2 ZINC000806926950 1202789592 /nfs/dbraw/zinc/78/95/92/1202789592.db2.gz YDFCDDGOSVCCKX-UHFFFAOYSA-N -1 1 359.336 0.917 10 0 FCAEMM CC1(C)Cc2ccc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)c(O)c2O1 ZINC000816492749 1203069341 /nfs/dbraw/zinc/06/93/41/1203069341.db2.gz AYRNCBPKKHEEEC-UHFFFAOYSA-N -1 1 359.386 0.743 10 0 FCAEMM COCCN1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C(C)(C)C1 ZINC001144651807 1204572330 /nfs/dbraw/zinc/57/23/30/1204572330.db2.gz CKXTUGCXDMCCDP-UHFFFAOYSA-N -1 1 359.434 0.258 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nncnn3)cc2)co1 ZINC001144645134 1204574301 /nfs/dbraw/zinc/57/43/01/1204574301.db2.gz KWTQWAGDSUPLDZ-UHFFFAOYSA-N -1 1 374.382 0.365 10 0 FCAEMM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000846132494 1204588921 /nfs/dbraw/zinc/58/89/21/1204588921.db2.gz FXJNSRUOVJMJKY-ZDUSSCGKSA-N -1 1 364.402 0.194 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ncccc1[O-] ZINC001147641373 1204802330 /nfs/dbraw/zinc/80/23/30/1204802330.db2.gz JIRNPNSZHFKGOC-KRWDZBQOSA-N -1 1 367.402 0.515 10 0 FCAEMM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)CCCc2nn[n-]n2)C1 ZINC001148091530 1204820402 /nfs/dbraw/zinc/82/04/02/1204820402.db2.gz ZGSNEEVRECQBOI-UHFFFAOYSA-N -1 1 361.406 0.600 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nn[n-]n1 ZINC001177826694 1206346813 /nfs/dbraw/zinc/34/68/13/1206346813.db2.gz AAWFTVFWFRSDDF-JSGCOSHPSA-N -1 1 373.417 0.019 10 0 FCAEMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177871187 1206347793 /nfs/dbraw/zinc/34/77/93/1206347793.db2.gz QMCCBHMBAJLWQW-LBPRGKRZSA-N -1 1 366.466 0.691 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C(=O)NCc2ccc(F)cc2)[n-]c1=O ZINC001178686975 1206362629 /nfs/dbraw/zinc/36/26/29/1206362629.db2.gz ONNGQEALWGGZQF-UHFFFAOYSA-N -1 1 362.361 0.998 10 0 FCAEMM CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(Cc3nn[nH]n3)CC2)c1 ZINC001197448914 1208162119 /nfs/dbraw/zinc/16/21/19/1208162119.db2.gz HAYFHAWWMJBFJQ-UHFFFAOYSA-N -1 1 371.445 0.843 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001488360659 1208497122 /nfs/dbraw/zinc/49/71/22/1208497122.db2.gz LFDOFPXMMNEEBG-RAIGVLPGSA-N -1 1 362.430 0.655 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001488367474 1208501237 /nfs/dbraw/zinc/50/12/37/1208501237.db2.gz YLNRINDERWEAAJ-CBBWQLFWSA-N -1 1 359.426 0.939 10 0 FCAEMM CC/C(C)=C\C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001489236548 1208712267 /nfs/dbraw/zinc/71/22/67/1208712267.db2.gz PDEDBLPMUURJKW-IHRPFYQKSA-N -1 1 370.413 0.447 10 0 FCAEMM CCCCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001489429197 1208826457 /nfs/dbraw/zinc/82/64/57/1208826457.db2.gz DELWZCPMUIZSRG-ZIAGYGMSSA-N -1 1 364.446 0.470 10 0 FCAEMM O=C(CCCn1ccnn1)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001489645918 1209073327 /nfs/dbraw/zinc/07/33/27/1209073327.db2.gz GKFXTBHMWPTMCO-ZIAGYGMSSA-N -1 1 370.413 0.532 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1CC[C@@H](NC(=O)CC2CC2)C1 ZINC001489891278 1209112424 /nfs/dbraw/zinc/11/24/24/1209112424.db2.gz NZICJNSDSGVCRL-UONOGXRCSA-N -1 1 362.430 0.128 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)CC(C)C)[C@H]1C ZINC001490071144 1209212152 /nfs/dbraw/zinc/21/21/52/1209212152.db2.gz TVLNISLRUSCUEK-ZJUUUORDSA-N -1 1 352.391 0.662 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2ccnn2C)CCN1C(=O)c1ncccc1[O-] ZINC001490098364 1209256452 /nfs/dbraw/zinc/25/64/52/1209256452.db2.gz IZRINFYOFCUBCF-OCCSQVGLSA-N -1 1 357.414 0.873 10 0 FCAEMM COCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001490716107 1209411938 /nfs/dbraw/zinc/41/19/38/1209411938.db2.gz RQNRIUIKQDLXKX-RDBSUJKOSA-N -1 1 363.414 0.702 10 0 FCAEMM O=C(COC(=O)CC1(n2cnnn2)CCOCC1)[N-]C(=O)c1ccccc1 ZINC000850231306 1209445061 /nfs/dbraw/zinc/44/50/61/1209445061.db2.gz IXXGRPNFPXTDHH-UHFFFAOYSA-N -1 1 373.369 0.069 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc(C)n1 ZINC000851703219 1209516744 /nfs/dbraw/zinc/51/67/44/1209516744.db2.gz OIJLGRPNBUWTMI-GXSJLCMTSA-N -1 1 374.319 0.830 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000855121401 1209660082 /nfs/dbraw/zinc/66/00/82/1209660082.db2.gz QOSQJDGUVKNCFV-OAHLLOKOSA-N -1 1 365.430 0.001 10 0 FCAEMM CCOC(=O)[C@]1(F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC12CCC2 ZINC000855241388 1209663573 /nfs/dbraw/zinc/66/35/73/1209663573.db2.gz NTYRRZGSGHCLBI-MRXNPFEDSA-N -1 1 369.349 0.794 10 0 FCAEMM COCc1nc(CNC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)n[nH]1 ZINC000855520986 1209673558 /nfs/dbraw/zinc/67/35/58/1209673558.db2.gz KECDLSGKSYKWKD-UHFFFAOYSA-N -1 1 374.426 0.656 10 0 FCAEMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000116698078 1209818695 /nfs/dbraw/zinc/81/86/95/1209818695.db2.gz WRWOANZKFFXBCM-UHFFFAOYSA-N -1 1 353.382 0.771 10 0 FCAEMM CCON(C)C(=O)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000862131470 1209897599 /nfs/dbraw/zinc/89/75/99/1209897599.db2.gz DOXSBVXPMFQZSS-UHFFFAOYSA-N -1 1 363.370 0.685 10 0 FCAEMM Cc1nc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000864162148 1209956196 /nfs/dbraw/zinc/95/61/96/1209956196.db2.gz IFFRUVOVBMLSMW-ZETCQYMHSA-N -1 1 371.279 0.616 10 0 FCAEMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCCCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001276213053 1211382330 /nfs/dbraw/zinc/38/23/30/1211382330.db2.gz KCAYFPKIJXOVOK-JYKNGBAOSA-N -1 1 361.446 0.842 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000927943903 1211593710 /nfs/dbraw/zinc/59/37/10/1211593710.db2.gz VLHGMDXKJLGSSY-JKSUJKDBSA-N -1 1 361.442 0.994 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000927944322 1211594224 /nfs/dbraw/zinc/59/42/24/1211594224.db2.gz YSGHBJKULZZPMH-IMJJTQAJSA-N -1 1 361.442 0.850 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000927944324 1211594286 /nfs/dbraw/zinc/59/42/86/1211594286.db2.gz YSGHBJKULZZPMH-NUEKZKHPSA-N -1 1 361.442 0.850 10 0 FCAEMM Cc1nn(C)c(C)c1CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929473167 1211640850 /nfs/dbraw/zinc/64/08/50/1211640850.db2.gz YZVXDYLKCXQYMR-UHFFFAOYSA-N -1 1 366.368 0.996 10 0 FCAEMM COC(=O)C1CC2(C1)CN(CC(=O)NCc1ccccc1)C[C@H]2C(=O)[O-] ZINC000903412285 1218408141 /nfs/dbraw/zinc/40/81/41/1218408141.db2.gz VNOMNOXZODKXJV-HVEKOLDVSA-N -1 1 360.410 0.889 10 0 FCAEMM O=C(CN1C(=O)CSc2ccccc21)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148125 1221280318 /nfs/dbraw/zinc/28/03/18/1221280318.db2.gz NZKKEBHVRAMSTB-UHFFFAOYSA-N -1 1 374.426 0.149 10 0 FCAEMM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001116837643 1221394515 /nfs/dbraw/zinc/39/45/15/1221394515.db2.gz JOUIHBUYOQQQCB-IFXJQAMLSA-N -1 1 371.393 0.224 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@H](O)CC[C@H]1C ZINC001118283621 1221750900 /nfs/dbraw/zinc/75/09/00/1221750900.db2.gz FYLUXUQLWSCIMD-TZMCWYRMSA-N -1 1 364.446 0.632 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001118568493 1221801672 /nfs/dbraw/zinc/80/16/72/1221801672.db2.gz BWTITAQZDFBSPH-SUMWQHHRSA-N -1 1 359.426 0.750 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000831296951 1222495064 /nfs/dbraw/zinc/49/50/64/1222495064.db2.gz WUJJOAUGULHJBL-NFAWXSAZSA-N -1 1 360.414 0.904 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC1CCC(O)(c2cccnc2)CC1 ZINC001138483756 1222513626 /nfs/dbraw/zinc/51/36/26/1222513626.db2.gz ABRHVBIASOOKOW-UHFFFAOYSA-N -1 1 370.409 0.859 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCC(=O)Nc1ccn(C)n1 ZINC000834530392 1222578003 /nfs/dbraw/zinc/57/80/03/1222578003.db2.gz MXZKZOSRLKYKBH-UHFFFAOYSA-N -1 1 371.401 0.473 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@@H]2CCOC[C@@H]2OC)cc1 ZINC000838012041 1222666762 /nfs/dbraw/zinc/66/67/62/1222666762.db2.gz OKLQJLSZXLFLDH-ZFWWWQNUSA-N -1 1 365.382 0.936 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000843257246 1222866712 /nfs/dbraw/zinc/86/67/12/1222866712.db2.gz MGWGQQUGHWPVFG-DGCLKSJQSA-N -1 1 371.397 0.657 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000843257246 1222866714 /nfs/dbraw/zinc/86/67/14/1222866714.db2.gz MGWGQQUGHWPVFG-DGCLKSJQSA-N -1 1 371.397 0.657 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)n[n-]1 ZINC001166125989 1223267715 /nfs/dbraw/zinc/26/77/15/1223267715.db2.gz FPKMJOVFCDELAI-NXEZZACHSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[n-]1 ZINC001166125989 1223267718 /nfs/dbraw/zinc/26/77/18/1223267718.db2.gz FPKMJOVFCDELAI-NXEZZACHSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)n1 ZINC001166125989 1223267722 /nfs/dbraw/zinc/26/77/22/1223267722.db2.gz FPKMJOVFCDELAI-NXEZZACHSA-N -1 1 362.390 0.630 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000847076428 1245330297 /nfs/dbraw/zinc/33/02/97/1245330297.db2.gz CTTYRBMTAGXYRZ-RXNFCKPNSA-N -1 1 357.370 0.949 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCCC1 ZINC000848350901 1245367965 /nfs/dbraw/zinc/36/79/65/1245367965.db2.gz VEGGSILDERVRND-HNNXBMFYSA-N -1 1 365.430 0.945 10 0 FCAEMM CSC1CCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)CC1 ZINC001519771712 1265770162 /nfs/dbraw/zinc/77/01/62/1265770162.db2.gz NMNZPBFYRZGKOF-JTQLQIEISA-N -1 1 350.452 0.827 10 0 FCAEMM CSC1CCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)CC1 ZINC001519771712 1265770166 /nfs/dbraw/zinc/77/01/66/1265770166.db2.gz NMNZPBFYRZGKOF-JTQLQIEISA-N -1 1 350.452 0.827 10 0 FCAEMM CC1(N2CCOCC2)CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001330010536 1265923291 /nfs/dbraw/zinc/92/32/91/1265923291.db2.gz VWCVQNAHHOYWBX-UHFFFAOYSA-N -1 1 367.446 0.071 10 0 FCAEMM O=C(CSCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1CCCCC1 ZINC001520594896 1265943840 /nfs/dbraw/zinc/94/38/40/1265943840.db2.gz SPQHILSXCGUETI-CYBMUJFWSA-N -1 1 366.491 0.727 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)C1=CCCC1 ZINC001520886802 1266029748 /nfs/dbraw/zinc/02/97/48/1266029748.db2.gz UMRQKUGAITUBGM-OCCSQVGLSA-N -1 1 360.414 0.143 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)o1 ZINC001520905630 1266035492 /nfs/dbraw/zinc/03/54/92/1266035492.db2.gz IFDOOMJFJPBJGQ-LBPRGKRZSA-N -1 1 352.416 0.769 10 0 FCAEMM O=C(CC1(n2cnnn2)CCOCC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001331171028 1266162488 /nfs/dbraw/zinc/16/24/88/1266162488.db2.gz PEBULWPZPSHYSU-UHFFFAOYSA-N -1 1 363.378 0.064 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001522020741 1266305090 /nfs/dbraw/zinc/30/50/90/1266305090.db2.gz TWBQDMOHHVVSLJ-FAHYXWLWSA-N -1 1 359.426 0.894 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001337446461 1260403015 /nfs/dbraw/zinc/40/30/15/1260403015.db2.gz OVZDYKWDCYYUGP-IJLUTSLNSA-N -1 1 360.418 0.431 10 0 FCAEMM Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@@H](O)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001278815660 1260737318 /nfs/dbraw/zinc/73/73/18/1260737318.db2.gz BEGRQKCQIIJZLR-SOUVJXGZSA-N -1 1 359.430 0.531 10 0 FCAEMM CCCCCC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001282325161 1261412602 /nfs/dbraw/zinc/41/26/02/1261412602.db2.gz USNBXEUSJMLZMA-NEPJUHHUSA-N -1 1 360.418 0.717 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nc(C)c[nH]3)CCOCC2)co1 ZINC001472100562 1261436245 /nfs/dbraw/zinc/43/62/45/1261436245.db2.gz GBWWASXQNOJJSN-UHFFFAOYSA-N -1 1 368.415 0.655 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@@H]3CCc4nnnn4CC3)CCCC2)[n-]c1=O ZINC001472112341 1261438715 /nfs/dbraw/zinc/43/87/15/1261438715.db2.gz LKLUUHHHZFIISV-LLVKDONJSA-N -1 1 373.417 0.716 10 0 FCAEMM COC(=O)[C@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)[C@H]1CCOC1 ZINC001472398209 1261463858 /nfs/dbraw/zinc/46/38/58/1261463858.db2.gz CWDISKWFIFEQQS-VHSXEESVSA-N -1 1 355.416 0.768 10 0 FCAEMM COCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282648978 1261567346 /nfs/dbraw/zinc/56/73/46/1261567346.db2.gz NBTXKYMWVBRUGU-RDBSUJKOSA-N -1 1 363.414 0.702 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC1 ZINC001282659227 1261572853 /nfs/dbraw/zinc/57/28/53/1261572853.db2.gz WEKRZYPESIXPMG-ILXRZTDVSA-N -1 1 374.441 0.365 10 0 FCAEMM O=C(NC1(CNC(=O)[C@]23C[C@H]2COC3)CC1)c1cnc(C2CC2)[n-]c1=O ZINC001285932946 1261887772 /nfs/dbraw/zinc/88/77/72/1261887772.db2.gz LPSAAYLXJZWRSW-VOJFVSQTSA-N -1 1 358.398 0.475 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001287626687 1261963740 /nfs/dbraw/zinc/96/37/40/1261963740.db2.gz SFENAPTYBLGUER-INTQDDNPSA-N -1 1 364.402 0.519 10 0 FCAEMM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C1CCCC1 ZINC001289152461 1262130205 /nfs/dbraw/zinc/13/02/05/1262130205.db2.gz NCMPANVGSQFDSE-XNRPHZJLSA-N -1 1 363.414 0.294 10 0 FCAEMM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC)C1CCC1 ZINC001289517138 1262233393 /nfs/dbraw/zinc/23/33/93/1262233393.db2.gz VFILGGSGRQNKJE-XNRPHZJLSA-N -1 1 363.414 0.558 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)Cc1cncn1C ZINC001290953228 1262542700 /nfs/dbraw/zinc/54/27/00/1262542700.db2.gz NCIGRVQDFUAAQZ-CHWSQXEVSA-N -1 1 357.414 0.588 10 0 FCAEMM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001293056862 1262708697 /nfs/dbraw/zinc/70/86/97/1262708697.db2.gz WJBQXSVTGUXSMO-CYBMUJFWSA-N -1 1 363.466 0.114 10 0 FCAEMM C[C@@]1(C2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)NC(=O)NC1=O ZINC001294000191 1262725165 /nfs/dbraw/zinc/72/51/65/1262725165.db2.gz TWSHORDYOJZLCG-INIZCTEOSA-N -1 1 374.426 0.468 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001296691437 1262831550 /nfs/dbraw/zinc/83/15/50/1262831550.db2.gz WIOSVLCHNXIJLF-FXMSTWTQSA-N -1 1 372.410 0.861 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1Cc2c[nH]nc2C1 ZINC001298306713 1262922748 /nfs/dbraw/zinc/92/27/48/1262922748.db2.gz PFPKRMUPCSSENG-UHFFFAOYSA-N -1 1 358.402 0.525 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(=O)NC2CCCCC2)n[n-]1 ZINC001300601155 1262991938 /nfs/dbraw/zinc/99/19/38/1262991938.db2.gz FEYJATRUPOZMPI-SNVBAGLBSA-N -1 1 366.422 0.791 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(=O)NC2CCCCC2)[n-]1 ZINC001300601155 1262991944 /nfs/dbraw/zinc/99/19/44/1262991944.db2.gz FEYJATRUPOZMPI-SNVBAGLBSA-N -1 1 366.422 0.791 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(=O)NC2CCCCC2)n1 ZINC001300601155 1262991947 /nfs/dbraw/zinc/99/19/47/1262991947.db2.gz FEYJATRUPOZMPI-SNVBAGLBSA-N -1 1 366.422 0.791 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001302842999 1263063423 /nfs/dbraw/zinc/06/34/23/1263063423.db2.gz VJUHKPXBADVNCH-XVDXERDNSA-N -1 1 355.394 0.964 10 0 FCAEMM Cc1cnc(CN[C@@H]2CC[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001479489026 1263220969 /nfs/dbraw/zinc/22/09/69/1263220969.db2.gz RHQXZAGYPIWGEB-WDEREUQCSA-N -1 1 350.379 0.060 10 0 FCAEMM COCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)CCCC1 ZINC001479710262 1263369445 /nfs/dbraw/zinc/36/94/45/1263369445.db2.gz LWQZEDUAGRONCU-OLZOCXBDSA-N -1 1 351.451 0.394 10 0 FCAEMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001486405599 1263536137 /nfs/dbraw/zinc/53/61/37/1263536137.db2.gz NJVRIBXXVARUJF-CIQGVGRVSA-N -1 1 351.451 0.946 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC1(CCO)CC1 ZINC001320603759 1263825899 /nfs/dbraw/zinc/82/58/99/1263825899.db2.gz HYKMVBLQHPKTMW-UHFFFAOYSA-N -1 1 364.446 0.539 10 0 FCAEMM O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1cc(=O)n2[n-]cnc2n1 ZINC001501877745 1264148813 /nfs/dbraw/zinc/14/88/13/1264148813.db2.gz TUBXWTLOJLJJLU-RPNDHJKISA-N -1 1 370.413 0.256 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1ccncc1 ZINC001512987286 1264799496 /nfs/dbraw/zinc/79/94/96/1264799496.db2.gz FZERCECFNBRVNV-JGGQBBKZSA-N -1 1 370.409 0.678 10 0 FCAEMM CCC(=O)N1CC[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001332981032 1266515603 /nfs/dbraw/zinc/51/56/03/1266515603.db2.gz PUBCAYOTLPTYBV-JTQLQIEISA-N -1 1 369.368 0.456 10 0 FCAEMM CN1CCN(Cc2cccc(C(=O)N3CCO[C@@](C)(C(=O)[O-])C3)c2)CC1 ZINC001333350427 1266584355 /nfs/dbraw/zinc/58/43/55/1266584355.db2.gz MPABIFWUVUVTPB-LJQANCHMSA-N -1 1 361.442 0.750 10 0 FCAEMM O=C(NC/C=C\CNC(=O)[C@]12C[C@H]1COC2)c1cnc(C2CC2)[n-]c1=O ZINC001533506186 1267221739 /nfs/dbraw/zinc/22/17/39/1267221739.db2.gz QSCFDKJZXFSWHV-INZXFCHDSA-N -1 1 358.398 0.498 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)COCc3cc[nH]c(=O)c3)nc2n1 ZINC001533842656 1267242727 /nfs/dbraw/zinc/24/27/27/1267242727.db2.gz AWZQJIXLKXZSRH-UHFFFAOYSA-N -1 1 358.358 0.626 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)nc2n1 ZINC001534154120 1267251610 /nfs/dbraw/zinc/25/16/10/1267251610.db2.gz HFXBXYVFHDVKDG-LLVKDONJSA-N -1 1 365.390 0.665 10 0 FCAEMM CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)[O-])c2)CC1 ZINC001335016575 1267280148 /nfs/dbraw/zinc/28/01/48/1267280148.db2.gz OJBMTBJIFARYJD-IRXDYDNUSA-N -1 1 361.442 0.654 10 0 FCAEMM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001335028700 1267287373 /nfs/dbraw/zinc/28/73/73/1267287373.db2.gz JBRKPJCDQKDUBI-JKSUJKDBSA-N -1 1 370.409 0.770 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)[n-]1 ZINC001537615140 1267376900 /nfs/dbraw/zinc/37/69/00/1267376900.db2.gz FBGQZMSALBXTTB-UHFFFAOYSA-N -1 1 371.353 0.830 10 0 FCAEMM O=C(c1c[nH]c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1)c1ccccc1 ZINC001542946033 1267515043 /nfs/dbraw/zinc/51/50/43/1267515043.db2.gz DPVTVIKZXXSQJW-CQSZACIVSA-N -1 1 352.354 0.973 10 0 FCAEMM Cc1cnn(-c2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c(N)cc2F)c1 ZINC001542946068 1267515611 /nfs/dbraw/zinc/51/56/11/1267515611.db2.gz GEPURHCLDSCRSR-AWEZNQCLSA-N -1 1 372.364 0.629 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001543237874 1267534022 /nfs/dbraw/zinc/53/40/22/1267534022.db2.gz UNHGJKVDWKHSQP-SNVBAGLBSA-N -1 1 373.438 0.887 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)COCc2ccnc(OC)c2)n[n-]1 ZINC001557456119 1268949066 /nfs/dbraw/zinc/94/90/66/1268949066.db2.gz UCPCVNSLBMSFMH-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)COCc2ccnc(OC)c2)[n-]1 ZINC001557456119 1268949070 /nfs/dbraw/zinc/94/90/70/1268949070.db2.gz UCPCVNSLBMSFMH-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COCc2ccnc(OC)c2)n1 ZINC001557456119 1268949074 /nfs/dbraw/zinc/94/90/74/1268949074.db2.gz UCPCVNSLBMSFMH-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)n[n-]1 ZINC001557455501 1268949230 /nfs/dbraw/zinc/94/92/30/1268949230.db2.gz ROBMGMHWURIIFK-ZYUZMQFOSA-N -1 1 354.363 0.125 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)[n-]1 ZINC001557455501 1268949235 /nfs/dbraw/zinc/94/92/35/1268949235.db2.gz ROBMGMHWURIIFK-ZYUZMQFOSA-N -1 1 354.363 0.125 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)n1 ZINC001557455501 1268949238 /nfs/dbraw/zinc/94/92/38/1268949238.db2.gz ROBMGMHWURIIFK-ZYUZMQFOSA-N -1 1 354.363 0.125 10 0 FCAEMM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001558025985 1269006257 /nfs/dbraw/zinc/00/62/57/1269006257.db2.gz BKNCCQPRIOPBEJ-LBPRGKRZSA-N -1 1 368.438 0.836 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNS(=O)(=O)c1cccs1 ZINC001558162944 1269037423 /nfs/dbraw/zinc/03/74/23/1269037423.db2.gz XZLRAHBUOHKPLW-UHFFFAOYSA-N -1 1 358.449 0.224 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC001558162825 1269038169 /nfs/dbraw/zinc/03/81/69/1269038169.db2.gz UGUJDNBLDRQBJX-UHFFFAOYSA-N -1 1 369.451 0.513 10 0 FCAEMM COC[C@H](NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C)c1nn[n-]n1 ZINC001558339809 1269066512 /nfs/dbraw/zinc/06/65/12/1269066512.db2.gz MZZLZEVRIFMJMA-AWEZNQCLSA-N -1 1 356.390 0.444 10 0 FCAEMM COC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nn[n-]n1 ZINC001558339572 1269067422 /nfs/dbraw/zinc/06/74/22/1269067422.db2.gz GZUQQCQIXZXMCN-MFKMUULPSA-N -1 1 362.365 0.504 10 0 FCAEMM COC[C@H](NC(=O)c1cc(I)c[nH]1)c1nn[n-]n1 ZINC001558339497 1269067562 /nfs/dbraw/zinc/06/75/62/1269067562.db2.gz FAEMMHQOTBGAIG-ZETCQYMHSA-N -1 1 362.131 0.250 10 0 FCAEMM COC[C@H](NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001558339665 1269069030 /nfs/dbraw/zinc/06/90/30/1269069030.db2.gz JNUWKMFYFMOWLY-MNOVXSKESA-N -1 1 354.411 0.697 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H](O)c1c(F)cccc1F ZINC001558358107 1269077836 /nfs/dbraw/zinc/07/78/36/1269077836.db2.gz NTVLVUPUQMKGBX-LBPRGKRZSA-N -1 1 351.309 0.645 10 0 FCAEMM CCOC(=O)[C@@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC001558421836 1269088469 /nfs/dbraw/zinc/08/84/69/1269088469.db2.gz WDPJULANLJSVME-SFHVURJKSA-N -1 1 359.382 0.521 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC3(CCNC(=O)O3)CC2)o1 ZINC001558622761 1269123630 /nfs/dbraw/zinc/12/36/30/1269123630.db2.gz KDCMECTUVLVHSG-UHFFFAOYSA-N -1 1 357.388 0.292 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CCS(=O)(=O)N(C)C)[n-]c1=O ZINC001558703359 1269132316 /nfs/dbraw/zinc/13/23/16/1269132316.db2.gz OASYBIPIWYTLKG-JTQLQIEISA-N -1 1 358.420 0.136 10 0 FCAEMM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001558848251 1269149528 /nfs/dbraw/zinc/14/95/28/1269149528.db2.gz OZEURQFICOBSIV-QVHKTLOISA-N -1 1 365.430 0.751 10 0 FCAEMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001558848250 1269149930 /nfs/dbraw/zinc/14/99/30/1269149930.db2.gz OZEURQFICOBSIV-GUIRCDHDSA-N -1 1 365.430 0.751 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c2ccc([O-])cc2o1 ZINC001559897862 1269180155 /nfs/dbraw/zinc/18/01/55/1269180155.db2.gz ZCFDYMZCLBEZAA-HOCLYGCPSA-N -1 1 365.407 0.887 10 0 FCAEMM CN(C)c1nccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n1 ZINC001564434251 1269420319 /nfs/dbraw/zinc/42/03/19/1269420319.db2.gz HQGIULQWOLLQRW-UHFFFAOYSA-N -1 1 359.390 0.110 10 0 FCAEMM CNC(=O)CC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001565247235 1269459527 /nfs/dbraw/zinc/45/95/27/1269459527.db2.gz DKBNMZISXWESIU-UHFFFAOYSA-N -1 1 363.418 0.313 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOC[C@@H]1CCO ZINC001342622849 1269540254 /nfs/dbraw/zinc/54/02/54/1269540254.db2.gz IFMSROTVOHPPQU-AWEZNQCLSA-N -1 1 358.398 0.293 10 0 FCAEMM C[C@H](Oc1ccccn1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001566109542 1269610966 /nfs/dbraw/zinc/61/09/66/1269610966.db2.gz QNOXWCFSVYMCHK-AGIUHOORSA-N -1 1 360.418 0.050 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(I)cc1[O-])C(N)=O ZINC001566478560 1269647012 /nfs/dbraw/zinc/64/70/12/1269647012.db2.gz RIKXYNKFBDLSEH-QMMMGPOBSA-N -1 1 364.139 0.227 10 0 FCAEMM COC(=O)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(O)cc1 ZINC001567355451 1269691765 /nfs/dbraw/zinc/69/17/65/1269691765.db2.gz XOMYFKBVVFWTKA-AWEZNQCLSA-N -1 1 359.338 0.253 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1ccncc1 ZINC001343500574 1269927862 /nfs/dbraw/zinc/92/78/62/1269927862.db2.gz FZERCECFNBRVNV-BJJXKVORSA-N -1 1 370.409 0.678 10 0 FCAEMM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001343753675 1270001080 /nfs/dbraw/zinc/00/10/80/1270001080.db2.gz HHRZBXRXCGSIFH-HONMWMINSA-N -1 1 362.430 0.653 10 0 FCAEMM NC(=O)CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001343842707 1270030030 /nfs/dbraw/zinc/03/00/30/1270030030.db2.gz YORSNDLXKMMJHN-CHWSQXEVSA-N -1 1 360.414 0.506 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001343985569 1270068246 /nfs/dbraw/zinc/06/82/46/1270068246.db2.gz AGGKIUFIZCNUCL-UHFFFAOYSA-N -1 1 373.808 0.611 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001343985569 1270068254 /nfs/dbraw/zinc/06/82/54/1270068254.db2.gz AGGKIUFIZCNUCL-UHFFFAOYSA-N -1 1 373.808 0.611 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001344325932 1270151154 /nfs/dbraw/zinc/15/11/54/1270151154.db2.gz YWNNXVYNJAISEG-UHFFFAOYSA-N -1 1 371.380 0.989 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC001344325932 1270151155 /nfs/dbraw/zinc/15/11/55/1270151155.db2.gz YWNNXVYNJAISEG-UHFFFAOYSA-N -1 1 371.380 0.989 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCCOC ZINC001344390768 1270167474 /nfs/dbraw/zinc/16/74/74/1270167474.db2.gz VMIHFQSJDGNMDI-UKRRQHHQSA-N -1 1 365.430 0.807 10 0 FCAEMM Cc1cnn(CCC(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c1 ZINC001572899104 1270319716 /nfs/dbraw/zinc/31/97/16/1270319716.db2.gz UNXCOWOJDNLZMK-ZIAGYGMSSA-N -1 1 357.414 0.959 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001572990065 1270460265 /nfs/dbraw/zinc/46/02/65/1270460265.db2.gz HOBSSICYLOVPCW-HONMWMINSA-N -1 1 362.430 0.797 10 0 FCAEMM CN(CCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)c1ncccc1[O-] ZINC001577401652 1274394280 /nfs/dbraw/zinc/39/42/80/1274394280.db2.gz RRWJAEONVPHRAX-UONOGXRCSA-N -1 1 357.414 0.903 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001718596177 1287526251 /nfs/dbraw/zinc/52/62/51/1287526251.db2.gz YSLNJOWVDHHXJR-FPMFFAJLSA-N -1 1 357.414 0.901 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n[n-]1 ZINC001584176960 1282141173 /nfs/dbraw/zinc/14/11/73/1282141173.db2.gz ZRSGOFQYPHMVIB-MNOVXSKESA-N -1 1 366.422 0.741 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)[n-]1 ZINC001584176960 1282141176 /nfs/dbraw/zinc/14/11/76/1282141176.db2.gz ZRSGOFQYPHMVIB-MNOVXSKESA-N -1 1 366.422 0.741 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1 ZINC001584176960 1282141179 /nfs/dbraw/zinc/14/11/79/1282141179.db2.gz ZRSGOFQYPHMVIB-MNOVXSKESA-N -1 1 366.422 0.741 10 0 FCAEMM CN1c2ccccc2C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC001584235496 1282144988 /nfs/dbraw/zinc/14/49/88/1282144988.db2.gz IQCGWCRVMUVLBL-LBPRGKRZSA-N -1 1 354.366 0.221 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCc3nn[n-]n3)C2)C1 ZINC001632466807 1282179462 /nfs/dbraw/zinc/17/94/62/1282179462.db2.gz FHVOWRGNPNQKNT-INIZCTEOSA-N -1 1 350.423 0.992 10 0 FCAEMM CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)NCc3nn[n-]n3)cn2c1 ZINC001584968053 1282185795 /nfs/dbraw/zinc/18/57/95/1282185795.db2.gz PBSGMPUAZLBMDP-UHFFFAOYSA-N -1 1 372.389 0.802 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(=O)CC2CCCC2)n[n-]1 ZINC001632567221 1282186459 /nfs/dbraw/zinc/18/64/59/1282186459.db2.gz FXIGLRKZNDAHSY-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(=O)CC2CCCC2)[n-]1 ZINC001632567221 1282186461 /nfs/dbraw/zinc/18/64/61/1282186461.db2.gz FXIGLRKZNDAHSY-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(=O)CC2CCCC2)n1 ZINC001632567221 1282186465 /nfs/dbraw/zinc/18/64/65/1282186465.db2.gz FXIGLRKZNDAHSY-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2CCC(NC(C)=O)CC2)n[n-]1 ZINC001632567564 1282186605 /nfs/dbraw/zinc/18/66/05/1282186605.db2.gz ORUGWBHPJHAISI-OIKLOGQESA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2CCC(NC(C)=O)CC2)[n-]1 ZINC001632567564 1282186609 /nfs/dbraw/zinc/18/66/09/1282186609.db2.gz ORUGWBHPJHAISI-OIKLOGQESA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2CCC(NC(C)=O)CC2)n1 ZINC001632567564 1282186615 /nfs/dbraw/zinc/18/66/15/1282186615.db2.gz ORUGWBHPJHAISI-OIKLOGQESA-N -1 1 351.407 0.854 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c(=O)[n-]1 ZINC001585136967 1282203751 /nfs/dbraw/zinc/20/37/51/1282203751.db2.gz CNDHVRRCGPZGQE-MRVPVSSYSA-N -1 1 353.404 0.459 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001585600905 1282236621 /nfs/dbraw/zinc/23/66/21/1282236621.db2.gz JVUQZZNBPCKKNU-UHFFFAOYSA-N -1 1 372.403 0.496 10 0 FCAEMM CS(=O)(=O)Nc1cc(C(=O)NC2(c3nn[n-]n3)CCC2)ccc1F ZINC001633586445 1282255918 /nfs/dbraw/zinc/25/59/18/1282255918.db2.gz HGLZWDWLXIDHAU-UHFFFAOYSA-N -1 1 354.367 0.520 10 0 FCAEMM O=C(CSc1n[nH]c(=O)[n-]1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001634307044 1282319153 /nfs/dbraw/zinc/31/91/53/1282319153.db2.gz SYGVINXIOMXJFC-LBPRGKRZSA-N -1 1 351.407 0.785 10 0 FCAEMM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001587012358 1282326060 /nfs/dbraw/zinc/32/60/60/1282326060.db2.gz SVYZBRWBEWVBLL-GFCCVEGCSA-N -1 1 369.395 0.315 10 0 FCAEMM COC[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nn[n-]n1 ZINC001634622637 1282339239 /nfs/dbraw/zinc/33/92/39/1282339239.db2.gz WZRXMMMXKFNZIU-ZDUSSCGKSA-N -1 1 367.431 0.428 10 0 FCAEMM CC(C)(C)n1ncnc1CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001634718275 1282351270 /nfs/dbraw/zinc/35/12/70/1282351270.db2.gz ZPOYICKDGIKFBF-UHFFFAOYSA-N -1 1 361.406 0.601 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001587636224 1282370909 /nfs/dbraw/zinc/37/09/09/1282370909.db2.gz KIUVNOIMRIGEIL-QGZVFWFLSA-N -1 1 364.402 0.739 10 0 FCAEMM CS(=O)(=O)c1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001588028070 1282398441 /nfs/dbraw/zinc/39/84/41/1282398441.db2.gz QJGRVWVXEJVHPE-UHFFFAOYSA-N -1 1 353.356 0.181 10 0 FCAEMM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001588217306 1282408637 /nfs/dbraw/zinc/40/86/37/1282408637.db2.gz FAVMSCNGNNSSQW-OLZOCXBDSA-N -1 1 354.370 0.035 10 0 FCAEMM CSc1ncc(C(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)c(=O)[n-]1 ZINC001588237679 1282411111 /nfs/dbraw/zinc/41/11/11/1282411111.db2.gz SFHCGFABJGOIAW-UHFFFAOYSA-N -1 1 351.388 0.677 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC001635611320 1282416469 /nfs/dbraw/zinc/41/64/69/1282416469.db2.gz AQAXHALGONSRGV-VIFPVBQESA-N -1 1 369.324 0.756 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2cn[nH]c2)cn1 ZINC001636322107 1282485489 /nfs/dbraw/zinc/48/54/89/1282485489.db2.gz MSDIVVNXHVCJCA-UHFFFAOYSA-N -1 1 352.354 0.970 10 0 FCAEMM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001636327332 1282486892 /nfs/dbraw/zinc/48/68/92/1282486892.db2.gz OTMZXOXOUASKDZ-AWEZNQCLSA-N -1 1 372.385 0.106 10 0 FCAEMM CO[C@@](C)(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(=O)OC(C)(C)C ZINC001636327415 1282487247 /nfs/dbraw/zinc/48/72/47/1282487247.db2.gz RGBNGTKLIRUYCD-KRWDZBQOSA-N -1 1 367.402 0.618 10 0 FCAEMM CCO[C@@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CCOCC1 ZINC001636322664 1282487286 /nfs/dbraw/zinc/48/72/86/1282487286.db2.gz VOMXEUNADNUZMC-OAHLLOKOSA-N -1 1 351.403 0.703 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCNC2=O)c1 ZINC001637105493 1282563948 /nfs/dbraw/zinc/56/39/48/1282563948.db2.gz TWLIIENOONQAMQ-INIZCTEOSA-N -1 1 369.443 0.887 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC001638489853 1282701574 /nfs/dbraw/zinc/70/15/74/1282701574.db2.gz PBPBQEDLRZYQQC-LLVKDONJSA-N -1 1 368.235 0.862 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCC(O)(COCCO)CC1 ZINC001638646804 1282712298 /nfs/dbraw/zinc/71/22/98/1282712298.db2.gz XTFUQFNEOKCVGZ-UHFFFAOYSA-N -1 1 374.384 0.758 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC(C)(C)c1cn(C)nn1 ZINC001639819762 1282818763 /nfs/dbraw/zinc/81/87/63/1282818763.db2.gz REQMMLJLJDEPNM-UHFFFAOYSA-N -1 1 367.413 0.863 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CCC3N=NC(=O)N3C2)[n-]c1=O ZINC001640131991 1282841165 /nfs/dbraw/zinc/84/11/65/1282841165.db2.gz DKTRFZQTHZCAHW-ZJUUUORDSA-N -1 1 360.374 0.414 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCCNC(=O)c2cccnc2)n[n-]1 ZINC001640225905 1282846933 /nfs/dbraw/zinc/84/69/33/1282846933.db2.gz VZPAQLQJKPZOQS-LLVKDONJSA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCCNC(=O)c2cccnc2)[n-]1 ZINC001640225905 1282846941 /nfs/dbraw/zinc/84/69/41/1282846941.db2.gz VZPAQLQJKPZOQS-LLVKDONJSA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCCNC(=O)c2cccnc2)n1 ZINC001640225905 1282846949 /nfs/dbraw/zinc/84/69/49/1282846949.db2.gz VZPAQLQJKPZOQS-LLVKDONJSA-N -1 1 374.401 0.764 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cnn(C)c2-n2cccc2)n[n-]1 ZINC001640224849 1282847214 /nfs/dbraw/zinc/84/72/14/1282847214.db2.gz CMRWVXXFPXLOQG-JTQLQIEISA-N -1 1 357.374 0.997 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cnn(C)c2-n2cccc2)[n-]1 ZINC001640224849 1282847218 /nfs/dbraw/zinc/84/72/18/1282847218.db2.gz CMRWVXXFPXLOQG-JTQLQIEISA-N -1 1 357.374 0.997 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cnn(C)c2-n2cccc2)n1 ZINC001640224849 1282847226 /nfs/dbraw/zinc/84/72/26/1282847226.db2.gz CMRWVXXFPXLOQG-JTQLQIEISA-N -1 1 357.374 0.997 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(=O)C2CCCCC2)n[n-]1 ZINC001640225613 1282847278 /nfs/dbraw/zinc/84/72/78/1282847278.db2.gz SHCXUTKUVGOCMJ-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(=O)C2CCCCC2)[n-]1 ZINC001640225613 1282847284 /nfs/dbraw/zinc/84/72/84/1282847284.db2.gz SHCXUTKUVGOCMJ-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(=O)C2CCCCC2)n1 ZINC001640225613 1282847291 /nfs/dbraw/zinc/84/72/91/1282847291.db2.gz SHCXUTKUVGOCMJ-SNVBAGLBSA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccnc(N3CCCC3)n2)n[n-]1 ZINC001640225466 1282847756 /nfs/dbraw/zinc/84/77/56/1282847756.db2.gz OYFBLCGKEPCRFP-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccnc(N3CCCC3)n2)[n-]1 ZINC001640225466 1282847764 /nfs/dbraw/zinc/84/77/64/1282847764.db2.gz OYFBLCGKEPCRFP-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccnc(N3CCCC3)n2)n1 ZINC001640225466 1282847773 /nfs/dbraw/zinc/84/77/73/1282847773.db2.gz OYFBLCGKEPCRFP-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001640568679 1282875800 /nfs/dbraw/zinc/87/58/00/1282875800.db2.gz QBBJRSCTIYDXTR-UHFFFAOYSA-N -1 1 362.382 0.587 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NN2CC(=O)[N-]C2=O)CCOCC1 ZINC001641141876 1282927539 /nfs/dbraw/zinc/92/75/39/1282927539.db2.gz LQGIPSFERCTNPQ-SNVBAGLBSA-N -1 1 370.406 0.279 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)n[n-]1 ZINC001641468069 1282953307 /nfs/dbraw/zinc/95/33/07/1282953307.db2.gz PIOQDPOLRXVEET-SNVBAGLBSA-N -1 1 351.407 0.635 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)n1 ZINC001641468069 1282953318 /nfs/dbraw/zinc/95/33/18/1282953318.db2.gz PIOQDPOLRXVEET-SNVBAGLBSA-N -1 1 351.407 0.635 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493250 1282955610 /nfs/dbraw/zinc/95/56/10/1282955610.db2.gz JGKXXFWKVXWTKS-UINNMSKDSA-N -1 1 367.431 0.230 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)o1 ZINC001641891991 1282978915 /nfs/dbraw/zinc/97/89/15/1282978915.db2.gz ZKWVGBATWSNWFA-FZMZJTMJSA-N -1 1 360.432 0.220 10 0 FCAEMM NS(=O)(=O)C1CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC001642502757 1283014650 /nfs/dbraw/zinc/01/46/50/1283014650.db2.gz ANIIHQKGAPXCNQ-UHFFFAOYSA-N -1 1 350.352 0.578 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H](CO)Cc1ccccc1 ZINC001683595437 1284053220 /nfs/dbraw/zinc/05/32/20/1284053220.db2.gz XYJHPKMVIJRQPC-AWEZNQCLSA-N -1 1 372.425 1.000 10 0 FCAEMM C[C@H]1OCC[C@]12CN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CCO2 ZINC001683595023 1284053652 /nfs/dbraw/zinc/05/36/52/1284053652.db2.gz SQUBYAQRMRKILV-DIFFPNOSSA-N -1 1 364.402 0.344 10 0 FCAEMM CCOC(=O)N1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001683594057 1284053676 /nfs/dbraw/zinc/05/36/76/1284053676.db2.gz HDZBFFNYNPEBBR-UHFFFAOYSA-N -1 1 365.390 0.239 10 0 FCAEMM COCCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001683770633 1284105731 /nfs/dbraw/zinc/10/57/31/1284105731.db2.gz YGMOMXBOXYLKBW-ZIAGYGMSSA-N -1 1 363.414 0.513 10 0 FCAEMM C/C=C(\C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001702524375 1285698732 /nfs/dbraw/zinc/69/87/32/1285698732.db2.gz SMYDHKFYAFTWKC-LTJOXERKSA-N -1 1 364.402 0.877 10 0 FCAEMM CCNC(=O)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001702526535 1285700385 /nfs/dbraw/zinc/70/03/85/1285700385.db2.gz OQOXVLLRQNLTAL-QWHCGFSZSA-N -1 1 362.430 0.718 10 0 FCAEMM CC(C)CCC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001702714352 1285812262 /nfs/dbraw/zinc/81/22/62/1285812262.db2.gz YJLPHJFPJMTEEW-KGLIPLIRSA-N -1 1 364.446 0.469 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)CCCF)[C@H]1C ZINC001702721306 1285820391 /nfs/dbraw/zinc/82/03/91/1285820391.db2.gz YTGYGFVFGPZDMM-BDAKNGLRSA-N -1 1 356.354 0.365 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702836212 1285929177 /nfs/dbraw/zinc/92/91/77/1285929177.db2.gz ZETOMUBHOAOCDX-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001593759066 1286214472 /nfs/dbraw/zinc/21/44/72/1286214472.db2.gz QBXOULHUPICSLT-NSHDSACASA-N -1 1 370.417 0.879 10 0 FCAEMM CC(C)(CNS(N)(=O)=O)NC(=O)c1cc(Br)ccc1[O-] ZINC001593936043 1286221759 /nfs/dbraw/zinc/22/17/59/1286221759.db2.gz NLLWLLUOAPQQSF-UHFFFAOYSA-N -1 1 366.237 0.456 10 0 FCAEMM COC[C@H](NC(=O)c1cncc(I)c1)c1nn[n-]n1 ZINC001595889435 1286268506 /nfs/dbraw/zinc/26/85/06/1286268506.db2.gz OYOQETNLQCNHLJ-QMMMGPOBSA-N -1 1 374.142 0.317 10 0 FCAEMM COC[C@@H](NC(=O)c1cnc(Br)c(OC)c1)c1nn[n-]n1 ZINC001595888849 1286268540 /nfs/dbraw/zinc/26/85/40/1286268540.db2.gz HRYMBADYAYJUOA-SSDOTTSWSA-N -1 1 357.168 0.483 10 0 FCAEMM O=C(CCn1cnc2sccc2c1=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595941490 1286273458 /nfs/dbraw/zinc/27/34/58/1286273458.db2.gz OBKJWYAYTIJRDF-LLVKDONJSA-N -1 1 373.442 0.843 10 0 FCAEMM CS(=O)(=O)c1cccnc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948363 1286274021 /nfs/dbraw/zinc/27/40/21/1286274021.db2.gz NPZYRBZURYCPKE-JTQLQIEISA-N -1 1 350.404 0.093 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC001596518673 1286305937 /nfs/dbraw/zinc/30/59/37/1286305937.db2.gz QUNVMNYOWSADDD-KUEQOTSFSA-N -1 1 353.375 0.599 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2NC(=O)c3ccccc32)c1 ZINC001597335726 1286339318 /nfs/dbraw/zinc/33/93/18/1286339318.db2.gz SXDHYIUCTMFNIK-GFCCVEGCSA-N -1 1 361.379 0.853 10 0 FCAEMM CC(C)OC(=O)c1cc(NC(=O)c2cn(C)c3c(cnn3C)c2=O)n[n-]1 ZINC001597790390 1286362499 /nfs/dbraw/zinc/36/24/99/1286362499.db2.gz LUVOGYVCOFFCET-UHFFFAOYSA-N -1 1 358.358 0.813 10 0 FCAEMM CO[N-]C(=O)CNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC001598520691 1286396242 /nfs/dbraw/zinc/39/62/42/1286396242.db2.gz GOEGWNUIRCWHNI-UHFFFAOYSA-N -1 1 353.379 0.110 10 0 FCAEMM CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736086588 1289135184 /nfs/dbraw/zinc/13/51/84/1289135184.db2.gz DCQHPXNEKOXOJL-UONOGXRCSA-N -1 1 364.446 0.518 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001719167754 1287819258 /nfs/dbraw/zinc/81/92/58/1287819258.db2.gz YMDFXSBTPLSXMA-ISESHHHUSA-N -1 1 362.430 0.246 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001719167273 1287819344 /nfs/dbraw/zinc/81/93/44/1287819344.db2.gz DNPBDMLAJABAIR-WHTZOINASA-N -1 1 364.402 0.829 10 0 FCAEMM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001719199685 1287860478 /nfs/dbraw/zinc/86/04/78/1287860478.db2.gz FFMPJWWNOYPWCV-NXEZZACHSA-N -1 1 366.418 0.909 10 0 FCAEMM CNC(=O)NCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001736094830 1289140580 /nfs/dbraw/zinc/14/05/80/1289140580.db2.gz CFHPVLSCAFYKPC-NWDGAFQWSA-N -1 1 363.418 0.121 10 0 FCAEMM CCO[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001719485712 1288140959 /nfs/dbraw/zinc/14/09/59/1288140959.db2.gz AMUICHIBLCGHJM-GZBFAFLISA-N -1 1 365.430 0.806 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCCC(N)=O)CCN1C(=O)c1ncccc1[O-] ZINC001719560917 1288181614 /nfs/dbraw/zinc/18/16/14/1288181614.db2.gz OUDCBICECKRXHC-QWHCGFSZSA-N -1 1 362.430 0.942 10 0 FCAEMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001725972281 1288482223 /nfs/dbraw/zinc/48/22/23/1288482223.db2.gz MOVKJUPBLGAMQT-JHJVBQTASA-N -1 1 357.414 0.901 10 0 FCAEMM CC(C)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001734550232 1288659329 /nfs/dbraw/zinc/65/93/29/1288659329.db2.gz BPTYZNHCRCXQDX-MCIONIFRSA-N -1 1 351.451 0.345 10 0 FCAEMM COC(=O)c1ccc2c(c1)N(C(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC001607211583 1288685426 /nfs/dbraw/zinc/68/54/26/1288685426.db2.gz ATCVEBKMHOIYIQ-UHFFFAOYSA-N -1 1 355.350 0.893 10 0 FCAEMM CCOCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001736260376 1289225456 /nfs/dbraw/zinc/22/54/56/1289225456.db2.gz HEVYMMOSAHZNHW-MCIONIFRSA-N -1 1 365.430 0.948 10 0 FCAEMM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001736546925 1289430591 /nfs/dbraw/zinc/43/05/91/1289430591.db2.gz QCUWAZCVNOUDQD-BNOWGMLFSA-N -1 1 360.414 0.958 10 0 FCAEMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001700249470 1289592405 /nfs/dbraw/zinc/59/24/05/1289592405.db2.gz QWTBRYAFZFHVGP-VXGBXAGGSA-N -1 1 351.451 0.948 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001700726523 1289603111 /nfs/dbraw/zinc/60/31/11/1289603111.db2.gz ARQASJBYUKLYLF-ZNMIVQPWSA-N -1 1 363.462 0.900 10 0 FCAEMM CS(=O)(=O)Cc1nc(CNC(=O)c2cc(F)cc(Cl)c2[O-])n[nH]1 ZINC001611671141 1289665773 /nfs/dbraw/zinc/66/57/73/1289665773.db2.gz LURHMSLXKUNHID-UHFFFAOYSA-N -1 1 362.770 0.777 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C[C@H]1c1ccccc1 ZINC001616141962 1289769577 /nfs/dbraw/zinc/76/95/77/1289769577.db2.gz GGWMUBSTDXBAEB-OGHNNQOOSA-N -1 1 357.370 0.447 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001739035240 1289772536 /nfs/dbraw/zinc/77/25/36/1289772536.db2.gz BORKGDDWNAIIFJ-SCRDCRAPSA-N -1 1 351.403 0.151 10 0 FCAEMM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001616471669 1289779596 /nfs/dbraw/zinc/77/95/96/1289779596.db2.gz NVBVWQNQUQZCPX-ZDUSSCGKSA-N -1 1 350.419 0.086 10 0 FCAEMM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001616471668 1289780028 /nfs/dbraw/zinc/78/00/28/1289780028.db2.gz NVBVWQNQUQZCPX-CYBMUJFWSA-N -1 1 350.419 0.086 10 0 FCAEMM NC(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)nc1Cl ZINC001616947587 1289806144 /nfs/dbraw/zinc/80/61/44/1289806144.db2.gz UNHDYDVPUFXDCN-QMMMGPOBSA-N -1 1 353.795 0.277 10 0 FCAEMM O=Cc1cn(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)c2ccccc12 ZINC001617703128 1289856808 /nfs/dbraw/zinc/85/68/08/1289856808.db2.gz MEVDERJARBNFFU-UHFFFAOYSA-N -1 1 354.370 0.477 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)n[n-]1 ZINC001618278130 1289895480 /nfs/dbraw/zinc/89/54/80/1289895480.db2.gz MZJBQLZQBZNPKY-GHMZBOCLSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)[n-]1 ZINC001618278130 1289895495 /nfs/dbraw/zinc/89/54/95/1289895495.db2.gz MZJBQLZQBZNPKY-GHMZBOCLSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)n1 ZINC001618278130 1289895511 /nfs/dbraw/zinc/89/55/11/1289895511.db2.gz MZJBQLZQBZNPKY-GHMZBOCLSA-N -1 1 367.406 0.042 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCF)C1 ZINC001702276788 1289949532 /nfs/dbraw/zinc/94/95/32/1289949532.db2.gz ZQPXGMGTRWYOOQ-RKDXNWHRSA-N -1 1 356.354 0.223 10 0 FCAEMM CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001739514553 1290093880 /nfs/dbraw/zinc/09/38/80/1290093880.db2.gz LHFACRZWHJLXNG-VXGBXAGGSA-N -1 1 369.443 0.187 10 0 FCAEMM CCC(CC)(NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)c1nn[n-]n1 ZINC001623446174 1290219450 /nfs/dbraw/zinc/21/94/50/1290219450.db2.gz UNTYBZSQXRZVMM-OLZOCXBDSA-N -1 1 352.439 0.211 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001624277380 1290262888 /nfs/dbraw/zinc/26/28/88/1290262888.db2.gz MSKSVOKPMHFBHN-FZMZJTMJSA-N -1 1 359.386 0.287 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001624436983 1290271297 /nfs/dbraw/zinc/27/12/97/1290271297.db2.gz DMEBLJJIQMYVSY-VIFPVBQESA-N -1 1 372.447 0.737 10 0 FCAEMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC(=O)N1 ZINC001624547284 1290278448 /nfs/dbraw/zinc/27/84/48/1290278448.db2.gz UMSQIWGFXAMMMC-INIZCTEOSA-N -1 1 367.427 0.784 10 0 FCAEMM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc([O-])c1Br ZINC001624608990 1290282899 /nfs/dbraw/zinc/28/28/99/1290282899.db2.gz XHCMOVNAOIRVRF-SSDOTTSWSA-N -1 1 369.179 0.285 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC001625223165 1290327734 /nfs/dbraw/zinc/32/77/34/1290327734.db2.gz GVBLEBPIQLWYAQ-UHFFFAOYSA-N -1 1 358.402 0.149 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 ZINC001625729930 1290361962 /nfs/dbraw/zinc/36/19/62/1290361962.db2.gz HAVRVMOVUHFLPJ-VIFPVBQESA-N -1 1 362.429 0.206 10 0 FCAEMM O=C(c1ccnc(Br)c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046602 1290371098 /nfs/dbraw/zinc/37/10/98/1290371098.db2.gz GHASXKUXLBQLKJ-UHFFFAOYSA-N -1 1 353.180 0.481 10 0 FCAEMM COc1ccc(NC(=O)Cn2cc(NC(=O)CCc3nn[n-]n3)cn2)cc1 ZINC001626935886 1290427535 /nfs/dbraw/zinc/42/75/35/1290427535.db2.gz RVOBLDYAHALYQY-UHFFFAOYSA-N -1 1 370.373 0.615 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001627470138 1290464586 /nfs/dbraw/zinc/46/45/86/1290464586.db2.gz TUQSTPJYXHTEGA-MRXNPFEDSA-N -1 1 353.396 0.543 10 0 FCAEMM NC(=O)[C@H]1c2ccccc2CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001628106559 1290506266 /nfs/dbraw/zinc/50/62/66/1290506266.db2.gz BKTFDZOZPHQJGK-MRXNPFEDSA-N -1 1 354.366 0.128 10 0 FCAEMM COC(=O)c1cccc2c1CCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001629267633 1290587355 /nfs/dbraw/zinc/58/73/55/1290587355.db2.gz PYRFOULVDWMSQB-UHFFFAOYSA-N -1 1 357.366 0.298 10 0 FCAEMM C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001630326473 1290659347 /nfs/dbraw/zinc/65/93/47/1290659347.db2.gz ZYWUJRQZRXDHPP-LLVKDONJSA-N -1 1 366.418 0.889 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)C1 ZINC001643391002 1290883140 /nfs/dbraw/zinc/88/31/40/1290883140.db2.gz JXOCIDAPVNFJSZ-ZBEGNZNMSA-N -1 1 366.422 0.278 10 0 FCAEMM COC(=O)[C@@]1(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C[C@H](O)C1 ZINC001643417398 1290887110 /nfs/dbraw/zinc/88/71/10/1290887110.db2.gz MXOPKOGXZZRLMV-HEHXSTRBSA-N -1 1 372.381 0.278 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCCNC(N)=O ZINC001643933523 1290930160 /nfs/dbraw/zinc/93/01/60/1290930160.db2.gz YTMQOGOSQSNPSZ-UWVGGRQHSA-N -1 1 352.357 0.883 10 0 FCAEMM CNC(=O)Nc1cccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001644159363 1290944204 /nfs/dbraw/zinc/94/42/04/1290944204.db2.gz AOHMJGOJBVJFJS-UHFFFAOYSA-N -1 1 357.370 0.936 10 0 FCAEMM CN(Cc1cc(=O)n2[n-]ccc2n1)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001644172937 1290945513 /nfs/dbraw/zinc/94/55/13/1290945513.db2.gz WSKZGRPIAHWMED-ZDUSSCGKSA-N -1 1 365.434 0.682 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001644299293 1290953826 /nfs/dbraw/zinc/95/38/26/1290953826.db2.gz LUELQEQTQVMIBI-BLFANLJRSA-N -1 1 365.463 0.241 10 0 FCAEMM CC(C)(C)n1cccc(C(=O)NCc2nc(CS(C)(=O)=O)n[n-]2)c1=O ZINC001645437001 1291027133 /nfs/dbraw/zinc/02/71/33/1291027133.db2.gz ZBURHZCQZCJLIC-UHFFFAOYSA-N -1 1 367.431 0.196 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@H](C)CS(C)(=O)=O)CCCC2)[n-]c1=O ZINC001647885216 1291080869 /nfs/dbraw/zinc/08/08/69/1291080869.db2.gz NSOGMSLTJAMPKZ-SNVBAGLBSA-N -1 1 357.432 0.757 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001650748184 1291178220 /nfs/dbraw/zinc/17/82/20/1291178220.db2.gz FMXRATIMJHKCKU-NTZNESFSSA-N -1 1 360.414 0.566 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCC(OCCOC)CC2)n[n-]1 ZINC001650944424 1291189265 /nfs/dbraw/zinc/18/92/65/1291189265.db2.gz XIDZHCVXXSEGSC-UHFFFAOYSA-N -1 1 354.407 0.819 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCC(OCCOC)CC2)n1 ZINC001650944424 1291189268 /nfs/dbraw/zinc/18/92/68/1291189268.db2.gz XIDZHCVXXSEGSC-UHFFFAOYSA-N -1 1 354.407 0.819 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686825 1291233719 /nfs/dbraw/zinc/23/37/19/1291233719.db2.gz BHXVMSUTNBLAMZ-SECBINFHSA-N -1 1 353.404 0.178 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686825 1291233726 /nfs/dbraw/zinc/23/37/26/1291233726.db2.gz BHXVMSUTNBLAMZ-SECBINFHSA-N -1 1 353.404 0.178 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686825 1291233732 /nfs/dbraw/zinc/23/37/32/1291233732.db2.gz BHXVMSUTNBLAMZ-SECBINFHSA-N -1 1 353.404 0.178 10 0 FCAEMM COC[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1nn[n-]n1 ZINC001651846876 1291243229 /nfs/dbraw/zinc/24/32/29/1291243229.db2.gz PSXLABACUXGJPY-WHOHXGKFSA-N -1 1 366.422 0.506 10 0 FCAEMM COC[C@@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1nn[n-]n1 ZINC001651846436 1291243681 /nfs/dbraw/zinc/24/36/81/1291243681.db2.gz CMCOPERTJGDCEZ-MRVPVSSYSA-N -1 1 370.295 0.618 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ncc2ccccc2c1[O-] ZINC001652112736 1291261397 /nfs/dbraw/zinc/26/13/97/1291261397.db2.gz KVMBNSDKRHSFNI-UHFFFAOYSA-N -1 1 371.440 0.728 10 0 FCAEMM C[C@@]1([C@@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)COC(=O)N1 ZINC001652121815 1291263147 /nfs/dbraw/zinc/26/31/47/1291263147.db2.gz KIFQQRRFMCZONF-DIFFPNOSSA-N -1 1 362.386 0.254 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1nc2ncc(CCO)cn2n1 ZINC001652545304 1291284624 /nfs/dbraw/zinc/28/46/24/1291284624.db2.gz CMUXCXFYRBHKPQ-UHFFFAOYSA-N -1 1 363.324 0.615 10 0 FCAEMM COCCn1cc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)ccc1=O ZINC001653333942 1291335705 /nfs/dbraw/zinc/33/57/05/1291335705.db2.gz UUWSHSKMXBCQAA-CYBMUJFWSA-N -1 1 374.397 0.976 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]c1=O ZINC001653331934 1291337224 /nfs/dbraw/zinc/33/72/24/1291337224.db2.gz AXHQOYKPEMIMAL-CMPLNLGQSA-N -1 1 372.385 0.631 10 0 FCAEMM Cn1cc([C@@H]2C[S@](=O)CCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001653502821 1291348711 /nfs/dbraw/zinc/34/87/11/1291348711.db2.gz GDYHNVFJVQSQIX-HWRSSNJWSA-N -1 1 363.443 0.294 10 0 FCAEMM O=c1[n-]c(CN2CCCS(=O)(=O)C[C@H]2C2CC2)nc2c1COCC2 ZINC001655716262 1291481647 /nfs/dbraw/zinc/48/16/47/1291481647.db2.gz DDJXAFXAKAHZSX-AWEZNQCLSA-N -1 1 353.444 0.654 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)NCC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001664745481 1291808979 /nfs/dbraw/zinc/80/89/79/1291808979.db2.gz KIWOGFKWGFUYOM-FPMFFAJLSA-N -1 1 359.434 0.376 10 0 FCAEMM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1n[nH]c(=O)[n-]1 ZINC001667478184 1291937757 /nfs/dbraw/zinc/93/77/57/1291937757.db2.gz DDQUYBQGMZOOOV-BFHYXJOUSA-N -1 1 351.451 0.803 10 0 FCAEMM COC[C@]1(C)CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001675456375 1292177445 /nfs/dbraw/zinc/17/74/45/1292177445.db2.gz FVVQLNOKOABXNT-INIZCTEOSA-N -1 1 352.391 0.202 10 0 FCAEMM CC(C)[C@@H](O)C1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001684869312 1292346267 /nfs/dbraw/zinc/34/62/67/1292346267.db2.gz OFLMJNRSMQCBTM-CQSZACIVSA-N -1 1 350.419 0.851 10 0 FCAEMM COc1ccccc1[C@@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684868312 1292346284 /nfs/dbraw/zinc/34/62/84/1292346284.db2.gz GUOQYIAUTOOOIR-CQSZACIVSA-N -1 1 374.397 0.796 10 0 FCAEMM CCN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H](C)CS(C)(=O)=O ZINC001684868654 1292347293 /nfs/dbraw/zinc/34/72/93/1292347293.db2.gz IWFDVRUBSADDQN-SNVBAGLBSA-N -1 1 372.447 0.220 10 0 FCAEMM CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001684970859 1292387381 /nfs/dbraw/zinc/38/73/81/1292387381.db2.gz CMTXBVXAYSECPJ-NSHDSACASA-N -1 1 356.810 0.885 10 0 FCAEMM CC(C)[C@@H](F)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001685310325 1292493949 /nfs/dbraw/zinc/49/39/49/1292493949.db2.gz DTGDZTCFMNJHQR-MBNYWOFBSA-N -1 1 368.409 0.026 10 0 FCAEMM CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001685523281 1292549037 /nfs/dbraw/zinc/54/90/37/1292549037.db2.gz YSHYPEBHALGMTL-XIKOKIGWSA-N -1 1 360.414 0.234 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@@]1(C)CCNC1=O ZINC001685786554 1292635828 /nfs/dbraw/zinc/63/58/28/1292635828.db2.gz SQKPHZDLACWOSO-FMTVUPSXSA-N -1 1 360.414 0.138 10 0 FCAEMM CN(C)C(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001686058836 1292751236 /nfs/dbraw/zinc/75/12/36/1292751236.db2.gz QEIFDDHEXNRNJL-RDBSUJKOSA-N -1 1 374.441 0.907 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001688184336 1293049344 /nfs/dbraw/zinc/04/93/44/1293049344.db2.gz KIRZTPAUDFXEQV-MGPQQGTHSA-N -1 1 364.446 0.230 10 0 FCAEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000327340899 836039193 /nfs/dbraw/zinc/03/91/93/836039193.db2.gz GNEXKNUOPICWPZ-UHFFFAOYSA-N -1 1 373.387 0.384 10 0 FCAEMM COCCCS(=O)(=O)NCCOC(=O)c1c([O-])cc(F)cc1F ZINC000746968866 836207209 /nfs/dbraw/zinc/20/72/09/836207209.db2.gz KBXDXDQAPLYLRG-UHFFFAOYSA-N -1 1 353.343 0.783 10 0 FCAEMM COC(=O)C=Cc1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)cc1 ZINC000747609999 836252097 /nfs/dbraw/zinc/25/20/97/836252097.db2.gz ZHVLVHQEPKCOII-VMPITWQZSA-N -1 1 364.383 0.977 10 0 FCAEMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000747621166 836253397 /nfs/dbraw/zinc/25/33/97/836253397.db2.gz OVNBSIBJYFLPLA-UHFFFAOYSA-N -1 1 372.428 0.503 10 0 FCAEMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000751057798 836462513 /nfs/dbraw/zinc/46/25/13/836462513.db2.gz IBYKIFAUWVEHRY-UHFFFAOYSA-N -1 1 372.447 0.622 10 0 FCAEMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000751057994 836463068 /nfs/dbraw/zinc/46/30/68/836463068.db2.gz MPBUQRDTRQOXHS-UHFFFAOYSA-N -1 1 358.420 0.232 10 0 FCAEMM O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(Br)c([O-])c1 ZINC001116888244 846796175 /nfs/dbraw/zinc/79/61/75/846796175.db2.gz XRBCXJUPOHCRMW-UHFFFAOYSA-N -1 1 363.233 0.824 10 0 FCAEMM C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CN1C1CC1 ZINC001118548358 847473254 /nfs/dbraw/zinc/47/32/54/847473254.db2.gz KVKWBDLOANDHBX-GXTWGEPZSA-N -1 1 351.447 0.831 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)C1CC1 ZINC001118895225 847625349 /nfs/dbraw/zinc/62/53/49/847625349.db2.gz LQTZNJAVWXPLFX-JTQLQIEISA-N -1 1 356.408 0.130 10 0 FCAEMM C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001119536663 847879090 /nfs/dbraw/zinc/87/90/90/847879090.db2.gz BTEOTEGZSTUMDW-CKYFFXLPSA-N -1 1 365.352 0.451 10 0 FCAEMM C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001119536663 847879092 /nfs/dbraw/zinc/87/90/92/847879092.db2.gz BTEOTEGZSTUMDW-CKYFFXLPSA-N -1 1 365.352 0.451 10 0 FCAEMM O=C(CN1CCC[C@H](C(=O)[O-])C1)NC[C@H]1CCC2(CCOCC2)CO1 ZINC001119649727 847923326 /nfs/dbraw/zinc/92/33/26/847923326.db2.gz XNWYLBGPLMHFTE-LSDHHAIUSA-N -1 1 354.447 0.875 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@H]2CCOC2)CCO1 ZINC001123235346 848579759 /nfs/dbraw/zinc/57/97/59/848579759.db2.gz GJXPZEWVYDBEFG-NXEZZACHSA-N -1 1 353.814 0.978 10 0 FCAEMM COC[C@]1(C(=O)N(C)c2nn[n-]n2)CCCCN1C(=O)OC(C)(C)C ZINC001130972283 849066268 /nfs/dbraw/zinc/06/62/68/849066268.db2.gz UMSBQRHPBFTIOK-HNNXBMFYSA-N -1 1 354.411 0.969 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)Cn2nc3n(c2=O)CCCC3)[n-]c1Cl ZINC001133885770 849161099 /nfs/dbraw/zinc/16/10/99/849161099.db2.gz WZVZLCSDWVESSF-UHFFFAOYSA-N -1 1 368.781 0.573 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC001136148645 849208601 /nfs/dbraw/zinc/20/86/01/849208601.db2.gz FLZHOARRTVUXBW-UHFFFAOYSA-N -1 1 370.460 0.163 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cnncc2[O-])C1 ZINC001136517128 849225828 /nfs/dbraw/zinc/22/58/28/849225828.db2.gz SJRRVAPSACWADY-LLVKDONJSA-N -1 1 350.375 0.056 10 0 FCAEMM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2ccc([O-])cn2)cc1 ZINC001137810476 849284772 /nfs/dbraw/zinc/28/47/72/849284772.db2.gz NSUSSQHPKZTVEU-UHFFFAOYSA-N -1 1 351.384 0.968 10 0 FCAEMM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001139194059 849330112 /nfs/dbraw/zinc/33/01/12/849330112.db2.gz CUUULKYZQYINLU-UHFFFAOYSA-N -1 1 368.440 0.665 10 0 FCAEMM CN(C)S(=O)(=O)NCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001140212131 849357001 /nfs/dbraw/zinc/35/70/01/849357001.db2.gz VURIEMPSZMMOMU-UHFFFAOYSA-N -1 1 356.379 0.205 10 0 FCAEMM CC(C)(C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1)C(N)=O ZINC001141101467 849382278 /nfs/dbraw/zinc/38/22/78/849382278.db2.gz RGDABIUVONFYAZ-LBPRGKRZSA-N -1 1 350.419 0.067 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)n[n-]1 ZINC001146857167 849568292 /nfs/dbraw/zinc/56/82/92/849568292.db2.gz WUXKMMNRPGHLIH-SNVBAGLBSA-N -1 1 372.447 0.906 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)[n-]1 ZINC001146857167 849568298 /nfs/dbraw/zinc/56/82/98/849568298.db2.gz WUXKMMNRPGHLIH-SNVBAGLBSA-N -1 1 372.447 0.906 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)n1 ZINC001146857167 849568305 /nfs/dbraw/zinc/56/83/05/849568305.db2.gz WUXKMMNRPGHLIH-SNVBAGLBSA-N -1 1 372.447 0.906 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001147309677 849578331 /nfs/dbraw/zinc/57/83/31/849578331.db2.gz DAANQZJDMBXYDU-UHFFFAOYSA-N -1 1 354.367 0.351 10 0 FCAEMM CN=[S@](C)(=O)CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001149042836 849626854 /nfs/dbraw/zinc/62/68/54/849626854.db2.gz JMQFNKHIRVMARL-RUZDIDTESA-N -1 1 363.443 0.939 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)CCOC1 ZINC001167321533 850540735 /nfs/dbraw/zinc/54/07/35/850540735.db2.gz QIBWUQXLZOXQRU-QGZVFWFLSA-N -1 1 352.362 0.621 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1nn[n-]n1 ZINC001167444499 850544239 /nfs/dbraw/zinc/54/42/39/850544239.db2.gz HNJJQCGKXKZXPH-FXQIFTODSA-N -1 1 366.369 0.567 10 0 FCAEMM CSCC[C@H](NC(=O)CN1CCCC2(CC2)S1(=O)=O)c1nn[n-]n1 ZINC001167448635 850545521 /nfs/dbraw/zinc/54/55/21/850545521.db2.gz MOXGNZCXABUOJN-JTQLQIEISA-N -1 1 374.492 0.068 10 0 FCAEMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001176727173 850799790 /nfs/dbraw/zinc/79/97/90/850799790.db2.gz YBIGAPQUQKSKSV-MRVPVSSYSA-N -1 1 356.433 0.124 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCC1(n2cc(Br)cn2)CC1 ZINC001177298173 850836932 /nfs/dbraw/zinc/83/69/32/850836932.db2.gz OCQVCHNCSJNRPJ-UHFFFAOYSA-N -1 1 354.212 0.787 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568589 850853305 /nfs/dbraw/zinc/85/33/05/850853305.db2.gz YZQWXYXZQUWXSY-NXEZZACHSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568589 850853310 /nfs/dbraw/zinc/85/33/10/850853310.db2.gz YZQWXYXZQUWXSY-NXEZZACHSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568589 850853314 /nfs/dbraw/zinc/85/33/14/850853314.db2.gz YZQWXYXZQUWXSY-NXEZZACHSA-N -1 1 356.404 0.080 10 0 FCAEMM COc1ccc(CN2CC[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC001182523590 851177865 /nfs/dbraw/zinc/17/78/65/851177865.db2.gz AQRCAXBCQDDYIN-LBPRGKRZSA-N -1 1 365.415 0.430 10 0 FCAEMM COc1ccc(CN2CC[C@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC001182523590 851177871 /nfs/dbraw/zinc/17/78/71/851177871.db2.gz AQRCAXBCQDDYIN-LBPRGKRZSA-N -1 1 365.415 0.430 10 0 FCAEMM CC(C)(O)[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254496887 857974676 /nfs/dbraw/zinc/97/46/76/857974676.db2.gz NYVGDHOGLFBISM-LLVKDONJSA-N -1 1 350.419 0.947 10 0 FCAEMM CO[C@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCSC1 ZINC001254496915 857975010 /nfs/dbraw/zinc/97/50/10/857975010.db2.gz OXUFEBBWUJNSDG-HNNXBMFYSA-N -1 1 354.432 0.576 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc2cncn2c1C ZINC001261205939 858496210 /nfs/dbraw/zinc/49/62/10/858496210.db2.gz VCXYWWRSPUCAQU-UHFFFAOYSA-N -1 1 353.400 0.902 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C[C@H]3CCC4(CCOCC4)O3)CC2)CCOC1 ZINC001262156999 858801863 /nfs/dbraw/zinc/80/18/63/858801863.db2.gz MTKRMZJMJZBZPG-QAPCUYQASA-N -1 1 354.447 0.576 10 0 FCAEMM O=C(N[C@@H](C(=O)[O-])[C@H]1CCCOC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001262210192 858820823 /nfs/dbraw/zinc/82/08/23/858820823.db2.gz OUKQPPKJCKLASI-REWJHTLYSA-N -1 1 357.476 0.745 10 0 FCAEMM CCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282746664 864423986 /nfs/dbraw/zinc/42/39/86/864423986.db2.gz BNBWWEBPTCKQFQ-UTUOFQBUSA-N -1 1 367.427 0.084 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CSC[C@@H]1C(=O)N1CCCC1 ZINC001290400064 865404436 /nfs/dbraw/zinc/40/44/36/865404436.db2.gz IQXGYWBXNGLOKC-LLVKDONJSA-N -1 1 364.427 0.041 10 0 FCAEMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1([C@H]2CCCCO2)CCOCC1 ZINC001292975843 865767421 /nfs/dbraw/zinc/76/74/21/865767421.db2.gz IZFJCJNRJHKDAS-QWHCGFSZSA-N -1 1 351.407 0.466 10 0 FCAEMM CCN1C(=O)[C@@H]2CN(C(=O)c3ccc4n[n-]c(=S)n4c3)CCN2C1=O ZINC001294456796 865835979 /nfs/dbraw/zinc/83/59/79/865835979.db2.gz PGEXBCJQUUYJAU-JTQLQIEISA-N -1 1 360.399 0.127 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cnncc2[O-])CCCO1 ZINC001299060121 866145180 /nfs/dbraw/zinc/14/51/80/866145180.db2.gz HOSJNHXEYZLNIV-LLVKDONJSA-N -1 1 352.391 0.938 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC001300939739 866240776 /nfs/dbraw/zinc/24/07/76/866240776.db2.gz KSRPNCSUBSXKJT-UHFFFAOYSA-N -1 1 352.412 0.763 10 0 FCAEMM CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1cccc(F)c1[O-] ZINC001302486972 866333717 /nfs/dbraw/zinc/33/37/17/866333717.db2.gz STDACZKTMBQGBE-UHFFFAOYSA-N -1 1 361.395 0.304 10 0 FCAEMM Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])cc(S(C)(=O)=O)c1 ZINC001302877681 866362071 /nfs/dbraw/zinc/36/20/71/866362071.db2.gz JXDDEBYPVNVGKJ-UHFFFAOYSA-N -1 1 363.395 0.868 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)o1 ZINC001302912584 866365913 /nfs/dbraw/zinc/36/59/13/866365913.db2.gz CAYJAFSMIFHECH-LLVKDONJSA-N -1 1 358.416 0.191 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC001351486873 866881064 /nfs/dbraw/zinc/88/10/64/866881064.db2.gz KCNWVUFMSPEZAD-GFCCVEGCSA-N -1 1 368.411 0.249 10 0 FCAEMM O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001352794020 867255262 /nfs/dbraw/zinc/25/52/62/867255262.db2.gz RBQKRUOWFUEZFD-GHMZBOCLSA-N -1 1 362.356 0.244 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC001354027419 867537094 /nfs/dbraw/zinc/53/70/94/867537094.db2.gz KWQSCEMLHNYUDX-LBPRGKRZSA-N -1 1 362.421 0.621 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1 ZINC001318492925 867680254 /nfs/dbraw/zinc/68/02/54/867680254.db2.gz LQSAHOGDJMTWKB-LBPRGKRZSA-N -1 1 364.431 0.596 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)[n-]1 ZINC001318492925 867680261 /nfs/dbraw/zinc/68/02/61/867680261.db2.gz LQSAHOGDJMTWKB-LBPRGKRZSA-N -1 1 364.431 0.596 10 0 FCAEMM CN1c2cc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)ccc2OCC1=O ZINC001323258126 869121494 /nfs/dbraw/zinc/12/14/94/869121494.db2.gz YKCDGCKOIMMTCO-UHFFFAOYSA-N -1 1 361.379 0.942 10 0 FCAEMM COCCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344255472 870785552 /nfs/dbraw/zinc/78/55/52/870785552.db2.gz ASFBHPUOFZZLRZ-QWHCGFSZSA-N -1 1 351.403 0.465 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)C[C@H](C)S1 ZINC001344455221 870891150 /nfs/dbraw/zinc/89/11/50/870891150.db2.gz OLTYXFMHTUJSDE-AXFHLTTASA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)C[C@H](C)S1 ZINC001344455221 870891156 /nfs/dbraw/zinc/89/11/56/870891156.db2.gz OLTYXFMHTUJSDE-AXFHLTTASA-N -1 1 350.452 0.825 10 0 FCAEMM FC(F)CN1CCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CC1 ZINC001345686336 871458302 /nfs/dbraw/zinc/45/83/02/871458302.db2.gz INSFNVITGTXMMD-UHFFFAOYSA-N -1 1 353.381 0.179 10 0 FCAEMM FC(F)CN1CCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CC1 ZINC001345686336 871458308 /nfs/dbraw/zinc/45/83/08/871458308.db2.gz INSFNVITGTXMMD-UHFFFAOYSA-N -1 1 353.381 0.179 10 0 FCAEMM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC001329376884 871987506 /nfs/dbraw/zinc/98/75/06/871987506.db2.gz VUHINOPGQDWKRI-VIFPVBQESA-N -1 1 356.370 0.438 10 0 FCAEMM CN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001329437939 872029236 /nfs/dbraw/zinc/02/92/36/872029236.db2.gz RSXQGFZUVKTJJH-QMTHXVAHSA-N -1 1 365.352 0.293 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001329443405 872033131 /nfs/dbraw/zinc/03/31/31/872033131.db2.gz OQFXJEHXCBRFGY-OAHLLOKOSA-N -1 1 361.364 0.914 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@]23CCOC3)C1 ZINC001329496789 872070740 /nfs/dbraw/zinc/07/07/40/872070740.db2.gz FRRCVJQCSDQCKQ-KBPBESRZSA-N -1 1 363.336 0.047 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N(C)CCCCO)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001346952106 872079397 /nfs/dbraw/zinc/07/93/97/872079397.db2.gz MECIOCVPDFXGNN-MNOVXSKESA-N -1 1 367.368 0.133 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(CN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)o1 ZINC001329711867 872197005 /nfs/dbraw/zinc/19/70/05/872197005.db2.gz DJIQRYYNXQEYLA-NHYWBVRUSA-N -1 1 358.416 0.453 10 0 FCAEMM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001348136600 872606933 /nfs/dbraw/zinc/60/69/33/872606933.db2.gz QVNYAQAEEOIITR-SSDOTTSWSA-N -1 1 357.201 0.659 10 0 FCAEMM Cc1sc(=O)n(CCC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1C ZINC001348167791 872614152 /nfs/dbraw/zinc/61/41/52/872614152.db2.gz YBXNHNFUOBWUNO-GFCCVEGCSA-N -1 1 350.448 0.911 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c(F)cc1Cl ZINC001331590718 873156375 /nfs/dbraw/zinc/15/63/75/873156375.db2.gz QTHDAJHIRADCKN-LJGSYFOKSA-N -1 1 364.782 0.808 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC001332142699 873390116 /nfs/dbraw/zinc/39/01/16/873390116.db2.gz UWDNVOPDHPATET-CQSZACIVSA-N -1 1 356.467 0.288 10 0 FCAEMM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293191028 214152899 /nfs/dbraw/zinc/15/28/99/214152899.db2.gz TTZBSLFPAYRVMN-QMMMGPOBSA-N -1 1 359.326 0.030 10 0 FCAEMM COc1cc(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc(OC)c1O ZINC000294561019 214253753 /nfs/dbraw/zinc/25/37/53/214253753.db2.gz XGFKBZLIJHWGAS-NSHDSACASA-N -1 1 362.386 0.770 10 0 FCAEMM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000296100478 214331404 /nfs/dbraw/zinc/33/14/04/214331404.db2.gz ZWGFQJOAYUYPIH-VIFPVBQESA-N -1 1 371.463 0.001 10 0 FCAEMM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000296100478 214331407 /nfs/dbraw/zinc/33/14/07/214331407.db2.gz ZWGFQJOAYUYPIH-VIFPVBQESA-N -1 1 371.463 0.001 10 0 FCAEMM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000296100478 214331411 /nfs/dbraw/zinc/33/14/11/214331411.db2.gz ZWGFQJOAYUYPIH-VIFPVBQESA-N -1 1 371.463 0.001 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000930582988 674041705 /nfs/dbraw/zinc/04/17/05/674041705.db2.gz SMJGPCIHNDADKD-BMIGLBTASA-N -1 1 356.369 0.996 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(=O)OC)C2)c1 ZINC000412361624 530031877 /nfs/dbraw/zinc/03/18/77/530031877.db2.gz ICBMYIKJDNWCRZ-ZJUUUORDSA-N -1 1 356.400 0.828 10 0 FCAEMM O=C(Nc1nc2c(ccc3c2CCCC3)s1)C(=O)NN1CC(=O)[N-]C1=O ZINC000288525502 213771273 /nfs/dbraw/zinc/77/12/73/213771273.db2.gz UXFFRPSEZGLOCA-UHFFFAOYSA-N -1 1 373.394 0.697 10 0 FCAEMM CCC(=O)N1CSC[C@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000265281909 210087002 /nfs/dbraw/zinc/08/70/02/210087002.db2.gz ZJOSVKYRZGLTIK-LBPRGKRZSA-N -1 1 363.443 0.567 10 0 FCAEMM CON1CCC(NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000930882018 674072299 /nfs/dbraw/zinc/07/22/99/674072299.db2.gz CCWUPBALHLPPHF-UHFFFAOYSA-N -1 1 357.357 0.471 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)o1 ZINC000285687233 213376887 /nfs/dbraw/zinc/37/68/87/213376887.db2.gz LVNXDDVFUHMCGN-UHFFFAOYSA-N -1 1 350.400 0.851 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000285130268 213289696 /nfs/dbraw/zinc/28/96/96/213289696.db2.gz OHQVHAXDJYQQEW-VXGBXAGGSA-N -1 1 371.415 0.140 10 0 FCAEMM C[C@@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)n1nnc(-c2ccccc2)n1 ZINC000282885545 212882060 /nfs/dbraw/zinc/88/20/60/212882060.db2.gz JYEPXPAJADGLBE-WCQYABFASA-N -1 1 368.401 0.719 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(O)Cc3ccccc3C2)co1 ZINC000366738371 216025241 /nfs/dbraw/zinc/02/52/41/216025241.db2.gz HCUSFHPACBILHL-UHFFFAOYSA-N -1 1 350.396 0.447 10 0 FCAEMM CCc1nnc(C2CCN(C(=O)c3coc(S(=O)(=O)[N-]C)c3)CC2)[nH]1 ZINC000191581581 209288060 /nfs/dbraw/zinc/28/80/60/209288060.db2.gz DYNQEGRTLNVYJW-UHFFFAOYSA-N -1 1 367.431 0.888 10 0 FCAEMM COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275340611 212010564 /nfs/dbraw/zinc/01/05/64/212010564.db2.gz RNXYAXAXZCXEJG-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000275332854 212008265 /nfs/dbraw/zinc/00/82/65/212008265.db2.gz QQQICHAUDZZFOF-UHFFFAOYSA-N -1 1 370.427 0.629 10 0 FCAEMM COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H](C)c3nn[n-]n3)CC(=O)N2C)cc1 ZINC000375380947 217257424 /nfs/dbraw/zinc/25/74/24/217257424.db2.gz QZDNSNLRGSOCAW-DIOULYMOSA-N -1 1 372.429 0.990 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CC[C@H]1O ZINC000425321662 247323168 /nfs/dbraw/zinc/32/31/68/247323168.db2.gz HZFPCPCURISACR-NXEZZACHSA-N -1 1 353.227 0.911 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)co1 ZINC000435943856 248025959 /nfs/dbraw/zinc/02/59/59/248025959.db2.gz DXWQDZHNJVLDDQ-ZDUSSCGKSA-N -1 1 365.411 0.795 10 0 FCAEMM Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1=O ZINC000437000361 248056349 /nfs/dbraw/zinc/05/63/49/248056349.db2.gz UACARQPOTWHFNJ-CQSZACIVSA-N -1 1 356.382 0.616 10 0 FCAEMM CN(C)c1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cn1 ZINC000443455547 248326457 /nfs/dbraw/zinc/32/64/57/248326457.db2.gz NMNPRYUSBZJOLV-UHFFFAOYSA-N -1 1 370.362 0.946 10 0 FCAEMM COc1cccc2c1OCC(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)=C2 ZINC000444460144 248359845 /nfs/dbraw/zinc/35/98/45/248359845.db2.gz YFFBESYJYFIPDB-UHFFFAOYSA-N -1 1 350.356 0.631 10 0 FCAEMM COc1cccc2c1OCC(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)=C2 ZINC000444460144 248359848 /nfs/dbraw/zinc/35/98/48/248359848.db2.gz YFFBESYJYFIPDB-UHFFFAOYSA-N -1 1 350.356 0.631 10 0 FCAEMM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447761350 248427872 /nfs/dbraw/zinc/42/78/72/248427872.db2.gz VAUCCTOQKAUXET-RYUDHWBXSA-N -1 1 366.480 0.519 10 0 FCAEMM CN1CC[N@@H+](CCCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000270571826 211225370 /nfs/dbraw/zinc/22/53/70/211225370.db2.gz BQHTYCTVOWIEGS-JKSUJKDBSA-N -1 1 373.457 0.080 10 0 FCAEMM O=C(CSCc1cc(=O)n2ccsc2n1)NC1(c2nn[n-]n2)CC1 ZINC000470982197 250084601 /nfs/dbraw/zinc/08/46/01/250084601.db2.gz BGYCWTJERBUSDW-UHFFFAOYSA-N -1 1 363.428 0.308 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000473290968 250215933 /nfs/dbraw/zinc/21/59/33/250215933.db2.gz BMIPLAHVLNOCAI-VIFPVBQESA-N -1 1 356.342 0.968 10 0 FCAEMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)s1 ZINC000269699264 211048823 /nfs/dbraw/zinc/04/88/23/211048823.db2.gz KPYUQPUTLRDGCA-ZETCQYMHSA-N -1 1 363.335 0.745 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088230 208272785 /nfs/dbraw/zinc/27/27/85/208272785.db2.gz OCWKLPJAMUNBIM-AWEZNQCLSA-N -1 1 370.413 0.306 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)CNC(=O)COc2ccccc2)[nH]n1 ZINC000119758090 208367973 /nfs/dbraw/zinc/36/79/73/208367973.db2.gz XVCSIDYCJQUTSM-UHFFFAOYSA-N -1 1 354.370 0.944 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(c3ccccn3)CC2)co1 ZINC000119688997 208368066 /nfs/dbraw/zinc/36/80/66/208368066.db2.gz SJYRCYNONOKANA-UHFFFAOYSA-N -1 1 364.427 0.982 10 0 FCAEMM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000409957559 533297661 /nfs/dbraw/zinc/29/76/61/533297661.db2.gz LATDENHZSKRUEO-CYBMUJFWSA-N -1 1 356.386 0.618 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)NCCc1nnc3n1CCCCC3)c2=O ZINC000179706541 209085725 /nfs/dbraw/zinc/08/57/25/209085725.db2.gz TUNMHGCDZNLRPQ-UHFFFAOYSA-N -1 1 355.402 0.964 10 0 FCAEMM CCOC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)n1C ZINC000278693743 488890280 /nfs/dbraw/zinc/89/02/80/488890280.db2.gz RJVWFBIOBBVHIK-UHFFFAOYSA-N -1 1 356.360 0.350 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1C ZINC000323883995 488904609 /nfs/dbraw/zinc/90/46/09/488904609.db2.gz LPGVZSMSLVCFPQ-UHFFFAOYSA-N -1 1 353.356 0.589 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323884782 488904702 /nfs/dbraw/zinc/90/47/02/488904702.db2.gz LXBDPYMDVNRTEL-GFCCVEGCSA-N -1 1 353.356 0.171 10 0 FCAEMM Cn1[n-]cc2/c(=N\C(=O)C(=O)NC[C@](C)(O)C3CCCCC3)ccnc1-2 ZINC000287911229 488920402 /nfs/dbraw/zinc/92/04/02/488920402.db2.gz OKGJSZVGQBLVMX-GFHXCNCHSA-N -1 1 359.430 0.728 10 0 FCAEMM COC[C@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000364415392 488957547 /nfs/dbraw/zinc/95/75/47/488957547.db2.gz FVANEBXCFOTDIF-INIZCTEOSA-N -1 1 370.427 0.009 10 0 FCAEMM COc1ccc([O-])c(C(=O)c2cnn(-c3ccc(S(N)(=O)=O)cn3)c2)c1 ZINC000027056289 487689984 /nfs/dbraw/zinc/68/99/84/487689984.db2.gz AOMVNBXTFGEQJS-UHFFFAOYSA-N -1 1 374.378 0.860 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000030641676 487747468 /nfs/dbraw/zinc/74/74/68/487747468.db2.gz ITGIFBGZEICRGA-UTUOFQBUSA-N -1 1 359.448 0.415 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000030641679 487747659 /nfs/dbraw/zinc/74/76/59/487747659.db2.gz ITGIFBGZEICRGA-SDDRHHMPSA-N -1 1 359.448 0.415 10 0 FCAEMM O=C(CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1)N1CCCC1 ZINC000074113532 488387612 /nfs/dbraw/zinc/38/76/12/488387612.db2.gz FIIDXRRVKHLXMO-UHFFFAOYSA-N -1 1 369.425 0.716 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000074162464 488388271 /nfs/dbraw/zinc/38/82/71/488388271.db2.gz WJYOVGXEVGDLKA-CQSZACIVSA-N -1 1 359.430 0.903 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2COCCOC2)c1F ZINC000599311980 492158697 /nfs/dbraw/zinc/15/86/97/492158697.db2.gz PBFPQOISBFGIEK-UHFFFAOYSA-N -1 1 351.327 0.445 10 0 FCAEMM CCNC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000268418757 488417173 /nfs/dbraw/zinc/41/71/73/488417173.db2.gz AKAMUCZTAPRKCV-ZDUSSCGKSA-N -1 1 374.445 0.904 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2cnn(-c3ccccc3)c2)n1 ZINC000101664446 488495703 /nfs/dbraw/zinc/49/57/03/488495703.db2.gz LKWCKVVKLBFHLW-UHFFFAOYSA-N -1 1 360.399 0.965 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCc2cnn(-c3ccccc3)c2)[n-]1 ZINC000101664446 488495704 /nfs/dbraw/zinc/49/57/04/488495704.db2.gz LKWCKVVKLBFHLW-UHFFFAOYSA-N -1 1 360.399 0.965 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1nn[n-]n1 ZINC000124632550 488594638 /nfs/dbraw/zinc/59/46/38/488594638.db2.gz ZSFUQCOZCYYGFM-HIFRSBDPSA-N -1 1 356.430 0.853 10 0 FCAEMM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000127790189 488619510 /nfs/dbraw/zinc/61/95/10/488619510.db2.gz KBBUOXBAVJFCOD-ZDUSSCGKSA-N -1 1 371.441 0.596 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000264114392 488648507 /nfs/dbraw/zinc/64/85/07/488648507.db2.gz DMOMCGREZWYKQK-UHFFFAOYSA-N -1 1 359.430 0.509 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)co1 ZINC000153525933 488731900 /nfs/dbraw/zinc/73/19/00/488731900.db2.gz VCJJUUPKFSIPGT-SECBINFHSA-N -1 1 354.432 0.899 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274890806 488740905 /nfs/dbraw/zinc/74/09/05/488740905.db2.gz FWDZHWJTWZXGEV-QMMMGPOBSA-N -1 1 359.385 0.232 10 0 FCAEMM Cn1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(-c2cccs2)n1 ZINC000155046876 488750534 /nfs/dbraw/zinc/75/05/34/488750534.db2.gz YXXGMTXSWVMFLF-UHFFFAOYSA-N -1 1 352.401 0.923 10 0 FCAEMM Cn1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(-c2cccs2)n1 ZINC000155046876 488750536 /nfs/dbraw/zinc/75/05/36/488750536.db2.gz YXXGMTXSWVMFLF-UHFFFAOYSA-N -1 1 352.401 0.923 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c(C)o1 ZINC000275002733 488752357 /nfs/dbraw/zinc/75/23/57/488752357.db2.gz OLLIABUVEOOWDY-NSHDSACASA-N -1 1 374.415 0.592 10 0 FCAEMM Cn1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])nc1Cl ZINC000275024757 488754426 /nfs/dbraw/zinc/75/44/26/488754426.db2.gz SHEVTZBMCPQQNP-VIFPVBQESA-N -1 1 350.828 0.291 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000277906187 488792443 /nfs/dbraw/zinc/79/24/43/488792443.db2.gz MFOYZNOTEGXDCI-LDYMZIIASA-N -1 1 370.349 0.963 10 0 FCAEMM COc1cccc(S(=O)(=O)CCN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280701224 489025795 /nfs/dbraw/zinc/02/57/95/489025795.db2.gz AMWHZGJWMSMBTI-UHFFFAOYSA-N -1 1 366.443 0.760 10 0 FCAEMM CC(C)Cc1nnc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)s1 ZINC000289565136 489077785 /nfs/dbraw/zinc/07/77/85/489077785.db2.gz YCWWVJDIZPZKIU-JTQLQIEISA-N -1 1 365.463 0.966 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000289761684 489091539 /nfs/dbraw/zinc/09/15/39/489091539.db2.gz HAVGLSAWLHYPSI-GFCCVEGCSA-N -1 1 368.390 0.784 10 0 FCAEMM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815656 489192066 /nfs/dbraw/zinc/19/20/66/489192066.db2.gz BVFJWVBQYZUMLJ-RKDXNWHRSA-N -1 1 361.324 0.215 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941966 489201374 /nfs/dbraw/zinc/20/13/74/489201374.db2.gz PSQLDYIALBWPFI-DGCLKSJQSA-N -1 1 361.402 0.852 10 0 FCAEMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000367220004 489204394 /nfs/dbraw/zinc/20/43/94/489204394.db2.gz PVUQOWCUMVDPOR-JTQLQIEISA-N -1 1 358.324 1.452 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccccn1 ZINC000349547829 489313210 /nfs/dbraw/zinc/31/32/10/489313210.db2.gz VQXXRAXVWRVPFL-DABQJJPHSA-N -1 1 359.473 0.931 10 0 FCAEMM Cn1cc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)ccc1=O ZINC000350914109 489351985 /nfs/dbraw/zinc/35/19/85/489351985.db2.gz BJBAYQILDGKHSS-UHFFFAOYSA-N -1 1 352.397 0.975 10 0 FCAEMM CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299170937 489413131 /nfs/dbraw/zinc/41/31/31/489413131.db2.gz SAYGONAZFOFNSE-LLVKDONJSA-N -1 1 358.416 0.777 10 0 FCAEMM COCCN1CCCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000299269466 489426617 /nfs/dbraw/zinc/42/66/17/489426617.db2.gz XWPIUZCKMQFQQH-UHFFFAOYSA-N -1 1 373.450 0.992 10 0 FCAEMM CCOC(=O)CN1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000363585955 489481334 /nfs/dbraw/zinc/48/13/34/489481334.db2.gz GQARFGVTGQZQAK-UHFFFAOYSA-N -1 1 358.398 0.634 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)c(F)c1 ZINC000451340009 489499482 /nfs/dbraw/zinc/49/94/82/489499482.db2.gz BLCUXCMSIHGCHM-JTQLQIEISA-N -1 1 368.452 0.979 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CCN[C@H](C)C3)s[n-]2)c1 ZINC000415412667 489518463 /nfs/dbraw/zinc/51/84/63/489518463.db2.gz HZJAYRPDVINADQ-SNVBAGLBSA-N -1 1 361.427 0.394 10 0 FCAEMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000372537674 489596457 /nfs/dbraw/zinc/59/64/57/489596457.db2.gz GXWDHEZXECOHMO-UHFFFAOYSA-N -1 1 358.383 0.870 10 0 FCAEMM CNC(=O)[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000428240863 489642981 /nfs/dbraw/zinc/64/29/81/489642981.db2.gz JBYRIQGWGQGMEM-HNNXBMFYSA-N -1 1 357.414 0.982 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)n[n-]1 ZINC000469230996 489697225 /nfs/dbraw/zinc/69/72/25/489697225.db2.gz SYEPNOWZHMAKIY-UHFFFAOYSA-N -1 1 368.325 0.924 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000469230996 489697228 /nfs/dbraw/zinc/69/72/28/489697228.db2.gz SYEPNOWZHMAKIY-UHFFFAOYSA-N -1 1 368.325 0.924 10 0 FCAEMM NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000376782200 489795486 /nfs/dbraw/zinc/79/54/86/489795486.db2.gz GXGRLCUVNAVLPI-LBPRGKRZSA-N -1 1 362.363 0.696 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(CCO)CCOC2)o1 ZINC000475827879 489852665 /nfs/dbraw/zinc/85/26/65/489852665.db2.gz JZXKXHMCILEOAF-MRXNPFEDSA-N -1 1 374.459 0.875 10 0 FCAEMM Cc1cnc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c([O-])c1 ZINC000460291551 489862701 /nfs/dbraw/zinc/86/27/01/489862701.db2.gz VFGNWCVOCFZDJA-UHFFFAOYSA-N -1 1 368.393 0.598 10 0 FCAEMM CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377527859 489915854 /nfs/dbraw/zinc/91/58/54/489915854.db2.gz KXIPPMFRSAZTIZ-CYBMUJFWSA-N -1 1 365.434 0.634 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cncc(I)c1 ZINC000477029085 489933547 /nfs/dbraw/zinc/93/35/47/489933547.db2.gz ICCOKESFSLJFRI-UHFFFAOYSA-N -1 1 356.127 0.618 10 0 FCAEMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000477057646 489935852 /nfs/dbraw/zinc/93/58/52/489935852.db2.gz MVPHAEJVIGRWLX-UHFFFAOYSA-N -1 1 356.390 0.542 10 0 FCAEMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000477431868 489964726 /nfs/dbraw/zinc/96/47/26/489964726.db2.gz OKSAXKYZJSHGJA-UHFFFAOYSA-N -1 1 366.420 0.916 10 0 FCAEMM CN(c1nncs1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462390818 489972915 /nfs/dbraw/zinc/97/29/15/489972915.db2.gz YQRBOPIMWYMTFG-UHFFFAOYSA-N -1 1 366.421 0.874 10 0 FCAEMM Cc1nc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000462489811 489978360 /nfs/dbraw/zinc/97/83/60/489978360.db2.gz LEAPBGXHGNSSFX-UHFFFAOYSA-N -1 1 360.417 0.107 10 0 FCAEMM COc1ccc(-c2n[nH]c(CNC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000420543832 489988676 /nfs/dbraw/zinc/98/86/76/489988676.db2.gz GBSNOVXEQOCCPO-NSHDSACASA-N -1 1 373.369 0.030 10 0 FCAEMM COc1ccc(-c2nc(CNC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)n[nH]2)cc1 ZINC000420543832 489988680 /nfs/dbraw/zinc/98/86/80/489988680.db2.gz GBSNOVXEQOCCPO-NSHDSACASA-N -1 1 373.369 0.030 10 0 FCAEMM CC(=O)N1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)[C@H](C)C1 ZINC000478007626 490000085 /nfs/dbraw/zinc/00/00/85/490000085.db2.gz ZXHAJZAXOLDTBC-GFCCVEGCSA-N -1 1 369.425 0.762 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000378231010 490031315 /nfs/dbraw/zinc/03/13/15/490031315.db2.gz IKRBAGGXRJRDST-UHFFFAOYSA-N -1 1 365.411 0.395 10 0 FCAEMM CCC(CC)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCOCC1 ZINC000439150158 490038779 /nfs/dbraw/zinc/03/87/79/490038779.db2.gz GMXGHALIFHISPI-NSHDSACASA-N -1 1 359.452 0.284 10 0 FCAEMM CCC(CC)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCOCC1 ZINC000439150158 490038782 /nfs/dbraw/zinc/03/87/82/490038782.db2.gz GMXGHALIFHISPI-NSHDSACASA-N -1 1 359.452 0.284 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)o1 ZINC000464369773 490053633 /nfs/dbraw/zinc/05/36/33/490053633.db2.gz XOOCJJRCAVIWDV-UHFFFAOYSA-N -1 1 357.432 0.659 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)sc1C ZINC000532798434 490118412 /nfs/dbraw/zinc/11/84/12/490118412.db2.gz WXKHPQOTYGELLR-JTQLQIEISA-N -1 1 353.491 0.320 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)Nc2ccccc2OC)n1 ZINC000506864899 490147244 /nfs/dbraw/zinc/14/72/44/490147244.db2.gz LJQMWPVSPNXJES-UHFFFAOYSA-N -1 1 353.356 0.617 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)cnc2n1 ZINC000533124024 490180222 /nfs/dbraw/zinc/18/02/22/490180222.db2.gz SQIPMYKBNBMHNM-NSHDSACASA-N -1 1 364.427 0.655 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000533124024 490180229 /nfs/dbraw/zinc/18/02/29/490180229.db2.gz SQIPMYKBNBMHNM-NSHDSACASA-N -1 1 364.427 0.655 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2nnc3ccccn32)o1 ZINC000447186182 490196628 /nfs/dbraw/zinc/19/66/28/490196628.db2.gz VKHCUOOLIUVQKV-UHFFFAOYSA-N -1 1 350.356 0.978 10 0 FCAEMM NC(=O)CCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000520912643 490205128 /nfs/dbraw/zinc/20/51/28/490205128.db2.gz RJFPHSTZBFZRKN-UHFFFAOYSA-N -1 1 371.415 0.007 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc(O)c2)o1 ZINC000497798804 490217167 /nfs/dbraw/zinc/21/71/67/490217167.db2.gz OJEUGZGODTWWQN-ZDUSSCGKSA-N -1 1 368.367 0.537 10 0 FCAEMM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408061648 490235130 /nfs/dbraw/zinc/23/51/30/490235130.db2.gz KXSVQCONBWUIOL-OLZOCXBDSA-N -1 1 358.485 0.995 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)o1 ZINC000408204297 490272325 /nfs/dbraw/zinc/27/23/25/490272325.db2.gz ULSQXHYPSKUKHV-LBPRGKRZSA-N -1 1 371.459 0.513 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)o1 ZINC000507880438 490275264 /nfs/dbraw/zinc/27/52/64/490275264.db2.gz WNYDMSJJYUZGKI-UHFFFAOYSA-N -1 1 365.429 0.559 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)n[n-]1 ZINC000448114515 490314486 /nfs/dbraw/zinc/31/44/86/490314486.db2.gz UTSMJFVYQJVHTM-NSHDSACASA-N -1 1 352.372 0.628 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)n1 ZINC000448114515 490314491 /nfs/dbraw/zinc/31/44/91/490314491.db2.gz UTSMJFVYQJVHTM-NSHDSACASA-N -1 1 352.372 0.628 10 0 FCAEMM Cc1cnc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c([O-])c1 ZINC000408377101 490319579 /nfs/dbraw/zinc/31/95/79/490319579.db2.gz ZEWFCKJPZVPNHN-UHFFFAOYSA-N -1 1 353.444 0.431 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)o1 ZINC000408395245 490325739 /nfs/dbraw/zinc/32/57/39/490325739.db2.gz LYXATFCOXWWNPU-MRXNPFEDSA-N -1 1 369.443 0.709 10 0 FCAEMM CCOC(=O)CCCS(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000547899051 490380831 /nfs/dbraw/zinc/38/08/31/490380831.db2.gz NJNCEBTWJKUUJN-LBPRGKRZSA-N -1 1 350.437 0.188 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1=O ZINC000509261896 490409703 /nfs/dbraw/zinc/40/97/03/490409703.db2.gz DMAMWCSXVBKJGH-SNVBAGLBSA-N -1 1 358.420 0.266 10 0 FCAEMM CCn1c(=O)[nH]c2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)ccc2c1=O ZINC000522855280 490412883 /nfs/dbraw/zinc/41/28/83/490412883.db2.gz YUACLOSDVBOOMT-UHFFFAOYSA-N -1 1 369.385 0.834 10 0 FCAEMM O=C(CCN1C(=O)COc2ccccc21)NC1(c2nn[n-]n2)CCCC1 ZINC000522855142 490413094 /nfs/dbraw/zinc/41/30/94/490413094.db2.gz RMLGZAISQJUTAA-UHFFFAOYSA-N -1 1 356.386 0.901 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548208989 490439635 /nfs/dbraw/zinc/43/96/35/490439635.db2.gz FOIBUVQVNQBIRM-JGVFFNPUSA-N -1 1 364.401 0.088 10 0 FCAEMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422829212 490481206 /nfs/dbraw/zinc/48/12/06/490481206.db2.gz PPTFBMFTKRGLMU-LLVKDONJSA-N -1 1 350.419 0.989 10 0 FCAEMM NS(=O)(=O)c1ccccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000571797643 491329974 /nfs/dbraw/zinc/32/99/74/491329974.db2.gz RYMMEVVHJQYLQA-UHFFFAOYSA-N -1 1 358.379 0.501 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000523789133 490496194 /nfs/dbraw/zinc/49/61/94/490496194.db2.gz QZLNPCZXMOTCPQ-LBPRGKRZSA-N -1 1 364.431 0.454 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)[n-]1 ZINC000523789133 490496199 /nfs/dbraw/zinc/49/61/99/490496199.db2.gz QZLNPCZXMOTCPQ-LBPRGKRZSA-N -1 1 364.431 0.454 10 0 FCAEMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000510352023 490510095 /nfs/dbraw/zinc/51/00/95/490510095.db2.gz BTVOYOBFFBHMJR-PHIMTYICSA-N -1 1 366.436 0.995 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500592118 490537367 /nfs/dbraw/zinc/53/73/67/490537367.db2.gz NSYPMGSCTRUFGT-JGVFFNPUSA-N -1 1 361.449 0.094 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500592118 490537373 /nfs/dbraw/zinc/53/73/73/490537373.db2.gz NSYPMGSCTRUFGT-JGVFFNPUSA-N -1 1 361.449 0.094 10 0 FCAEMM CCN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)S(C)(=O)=O ZINC000511023853 490556116 /nfs/dbraw/zinc/55/61/16/490556116.db2.gz AQOYYEGOUAEMCA-UHFFFAOYSA-N -1 1 352.416 0.325 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000537124689 490650101 /nfs/dbraw/zinc/65/01/01/490650101.db2.gz CXSLNWYLFDLXHK-GFCCVEGCSA-N -1 1 364.431 0.518 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)ccc2N1C ZINC000537125157 490651139 /nfs/dbraw/zinc/65/11/39/490651139.db2.gz ZVWHVIWLGIMWFE-PWSUYJOCSA-N -1 1 355.402 0.996 10 0 FCAEMM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512565672 490688119 /nfs/dbraw/zinc/68/81/19/490688119.db2.gz QTDFEPZZQIVVFD-VIFPVBQESA-N -1 1 352.372 0.817 10 0 FCAEMM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512565672 490688121 /nfs/dbraw/zinc/68/81/21/490688121.db2.gz QTDFEPZZQIVVFD-VIFPVBQESA-N -1 1 352.372 0.817 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)c(=O)n(C)c1=O ZINC000528448253 490798409 /nfs/dbraw/zinc/79/84/09/490798409.db2.gz DHEPWIRJHLIUKT-UHFFFAOYSA-N -1 1 355.460 0.579 10 0 FCAEMM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)n1 ZINC000515350298 490821156 /nfs/dbraw/zinc/82/11/56/490821156.db2.gz JENAKHINIKAHHZ-UHFFFAOYSA-N -1 1 362.314 0.936 10 0 FCAEMM CC1(C)CCC[C@H]1CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000529564081 490862512 /nfs/dbraw/zinc/86/25/12/490862512.db2.gz DFRCETPPBJIMMR-NSHDSACASA-N -1 1 371.459 0.989 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)co1 ZINC000530079264 490887833 /nfs/dbraw/zinc/88/78/33/490887833.db2.gz KAQLCAQGNGUNNI-LLVKDONJSA-N -1 1 352.372 0.661 10 0 FCAEMM Cc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1OCCO ZINC000543910814 490951307 /nfs/dbraw/zinc/95/13/07/490951307.db2.gz YZNGOPSTLBTWID-UHFFFAOYSA-N -1 1 353.400 0.604 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000557407992 491372750 /nfs/dbraw/zinc/37/27/50/491372750.db2.gz LHCWCTYESSNPLO-SNVBAGLBSA-N -1 1 374.488 0.709 10 0 FCAEMM CO[C@@H](C)c1nc(=NC(CS(=O)(=O)N(C)C)C(F)(F)F)s[n-]1 ZINC000557425934 491374186 /nfs/dbraw/zinc/37/41/86/491374186.db2.gz CDXWQWHYXCLWRT-NKWVEPMBSA-N -1 1 362.399 0.902 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1)C1CC1 ZINC000566619915 491456674 /nfs/dbraw/zinc/45/66/74/491456674.db2.gz IVRSGZLWALXDPU-ABAIWWIYSA-N -1 1 356.444 0.964 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(F)c1 ZINC000578575581 491680170 /nfs/dbraw/zinc/68/01/70/491680170.db2.gz MKSLGDLRJCEJIU-GDGBQDQQSA-N -1 1 350.393 0.120 10 0 FCAEMM NS(=O)(=O)c1cccc(-c2ccc([C@@H](O)CO)cc2)c1-c1nn[n-]n1 ZINC000584611711 491709010 /nfs/dbraw/zinc/70/90/10/491709010.db2.gz QRUSDNQCTDTOQC-LBPRGKRZSA-N -1 1 361.383 0.207 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccn(-c3cccc(F)c3)n2)n[n-]1 ZINC000586757164 491731542 /nfs/dbraw/zinc/73/15/42/491731542.db2.gz XGEPQSFVMXFBON-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3cccc(F)c3)n2)n1 ZINC000586757164 491731543 /nfs/dbraw/zinc/73/15/43/491731543.db2.gz XGEPQSFVMXFBON-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)nc2n1 ZINC000588006348 491737189 /nfs/dbraw/zinc/73/71/89/491737189.db2.gz FCKFQWPTILRVLU-JTQLQIEISA-N -1 1 356.342 0.306 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3c4ccccc4n(C)c3=O)nc2n1 ZINC000588006151 491737266 /nfs/dbraw/zinc/73/72/66/491737266.db2.gz FPAHWJMQDSYHNY-UHFFFAOYSA-N -1 1 353.342 0.018 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000581322226 491768693 /nfs/dbraw/zinc/76/86/93/491768693.db2.gz PWKYZYBUEPGJDU-AWEZNQCLSA-N -1 1 359.423 0.766 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2OCCOC)o1 ZINC000590275823 491771793 /nfs/dbraw/zinc/77/17/93/491771793.db2.gz MJFZLVRVTYUDEK-UHFFFAOYSA-N -1 1 355.372 0.860 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1C)c1ccnn1C ZINC000592089824 491831267 /nfs/dbraw/zinc/83/12/67/491831267.db2.gz AKVXJPWYUJXBHU-CQSZACIVSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccnn1C ZINC000592091272 491831581 /nfs/dbraw/zinc/83/15/81/491831581.db2.gz HIQHANOCJSUYRP-AWEZNQCLSA-N -1 1 369.399 0.630 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc2c(cc1C)OCO2)c1ccnn1C ZINC000592090974 491831628 /nfs/dbraw/zinc/83/16/28/491831628.db2.gz GVQYOSIIXIFLAZ-AWEZNQCLSA-N -1 1 367.383 0.650 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccnn1C ZINC000592096270 491832021 /nfs/dbraw/zinc/83/20/21/491832021.db2.gz KCCZZIPPMGMHDV-HZMBPMFUSA-N -1 1 367.431 0.707 10 0 FCAEMM COC1CCN(S(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)CC1 ZINC000594846907 491865721 /nfs/dbraw/zinc/86/57/21/491865721.db2.gz LHOSAMHCZLVUOE-HNNXBMFYSA-N -1 1 364.464 0.432 10 0 FCAEMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601402825 491914311 /nfs/dbraw/zinc/91/43/11/491914311.db2.gz XDKFHHBGZLKVRA-LSDHHAIUSA-N -1 1 362.492 0.748 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000595316225 491917470 /nfs/dbraw/zinc/91/74/70/491917470.db2.gz DRIPCAOKAIBHLE-GDPRMGEGSA-N -1 1 356.400 0.662 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)cc1C ZINC000595332343 491920568 /nfs/dbraw/zinc/92/05/68/491920568.db2.gz FLRQMVNNYBTROW-GFCCVEGCSA-N -1 1 354.384 0.824 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)cc1C ZINC000595337282 491921099 /nfs/dbraw/zinc/92/10/99/491921099.db2.gz VIALHFKTQKDJSF-CYBMUJFWSA-N -1 1 351.352 0.944 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1ccnn1C ZINC000601451954 491921374 /nfs/dbraw/zinc/92/13/74/491921374.db2.gz CNZDNARURVWHTR-GXSJLCMTSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000595341606 491921830 /nfs/dbraw/zinc/92/18/30/491921830.db2.gz XJIJOBIFOCSTIP-SECBINFHSA-N -1 1 365.429 0.619 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1C ZINC000596036027 491973189 /nfs/dbraw/zinc/97/31/89/491973189.db2.gz VMGHQZDLCCQOFF-NSHDSACASA-N -1 1 374.415 0.592 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC000613476066 491982832 /nfs/dbraw/zinc/98/28/32/491982832.db2.gz TVJVBXSOQGUSNZ-BBBLOLIVSA-N -1 1 351.329 0.746 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614067261 492013058 /nfs/dbraw/zinc/01/30/58/492013058.db2.gz CZCYMCXTLRLVID-QGZVFWFLSA-N -1 1 361.402 0.273 10 0 FCAEMM CCOC(=O)C[C@H](CO)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000597680525 492058750 /nfs/dbraw/zinc/05/87/50/492058750.db2.gz FRFKSNRVWYTSIQ-CYBMUJFWSA-N -1 1 374.397 0.113 10 0 FCAEMM Cn1cccc1C(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000615358898 492087770 /nfs/dbraw/zinc/08/77/70/492087770.db2.gz LFUWMTUHFRAEBU-UHFFFAOYSA-N -1 1 365.393 0.860 10 0 FCAEMM CCS(=O)(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000605381586 492093186 /nfs/dbraw/zinc/09/31/86/492093186.db2.gz CCDMQPYQOKGSHN-UHFFFAOYSA-N -1 1 356.452 0.147 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]1 ZINC000615916590 492107028 /nfs/dbraw/zinc/10/70/28/492107028.db2.gz FOCVIFHNPPWMSX-CYBMUJFWSA-N -1 1 371.397 0.646 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000615916590 492107031 /nfs/dbraw/zinc/10/70/31/492107031.db2.gz FOCVIFHNPPWMSX-CYBMUJFWSA-N -1 1 371.397 0.646 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(-n3cncn3)cc2C)n[n-]1 ZINC000615919515 492107948 /nfs/dbraw/zinc/10/79/48/492107948.db2.gz AQFBEBPDAYICKY-UHFFFAOYSA-N -1 1 355.358 0.801 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(-n3cncn3)cc2C)n1 ZINC000615919515 492107950 /nfs/dbraw/zinc/10/79/50/492107950.db2.gz AQFBEBPDAYICKY-UHFFFAOYSA-N -1 1 355.358 0.801 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)n[n-]1 ZINC000616030166 492115224 /nfs/dbraw/zinc/11/52/24/492115224.db2.gz VXHWWWQNELPDSA-VHSXEESVSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)n1 ZINC000616030166 492115228 /nfs/dbraw/zinc/11/52/28/492115228.db2.gz VXHWWWQNELPDSA-VHSXEESVSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2cc(C)cc(C)c2)n[n-]1 ZINC000616028677 492115295 /nfs/dbraw/zinc/11/52/95/492115295.db2.gz NEBJEJNZKJRELE-UHFFFAOYSA-N -1 1 359.386 0.644 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2cc(C)cc(C)c2)n1 ZINC000616028677 492115297 /nfs/dbraw/zinc/11/52/97/492115297.db2.gz NEBJEJNZKJRELE-UHFFFAOYSA-N -1 1 359.386 0.644 10 0 FCAEMM Cc1cnc2nc(C(=O)[N-]c3ncn(CC(=O)OC(C)(C)C)n3)nn2c1 ZINC000598847545 492119233 /nfs/dbraw/zinc/11/92/33/492119233.db2.gz YSECLNQAWDAPSO-UHFFFAOYSA-N -1 1 358.362 0.618 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nnc(CC)s2)on1 ZINC000599309538 492158764 /nfs/dbraw/zinc/15/87/64/492158764.db2.gz HGZZSALLIVCBSQ-UHFFFAOYSA-N -1 1 360.417 0.885 10 0 FCAEMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599405216 492168949 /nfs/dbraw/zinc/16/89/49/492168949.db2.gz SEUYFMFFJOSCTD-SMDDNHRTSA-N -1 1 373.427 0.508 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000599456088 492175025 /nfs/dbraw/zinc/17/50/25/492175025.db2.gz IUXUFUQXCZLBKG-RDBSUJKOSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000599476331 492178127 /nfs/dbraw/zinc/17/81/27/492178127.db2.gz PGJKSCMLRHNDTD-UHFFFAOYSA-N -1 1 368.333 0.452 10 0 FCAEMM CO[C@]1(CO)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000617795388 492192357 /nfs/dbraw/zinc/19/23/57/492192357.db2.gz YYRQOFHGBRANOR-MRXNPFEDSA-N -1 1 374.459 0.970 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cnc(NC)cn3)CC2)n1 ZINC000599831417 492211365 /nfs/dbraw/zinc/21/13/65/492211365.db2.gz UIZKGHGZQNVHKY-UHFFFAOYSA-N -1 1 359.390 0.833 10 0 FCAEMM COC(=O)[C@H](CF)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000599942440 492219540 /nfs/dbraw/zinc/21/95/40/492219540.db2.gz SNKAGDIMKCUZIQ-NSHDSACASA-N -1 1 352.318 0.786 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676274 492234517 /nfs/dbraw/zinc/23/45/17/492234517.db2.gz PAFPGLCYYJCQFY-MRVPVSSYSA-N -1 1 360.461 0.318 10 0 FCAEMM CC(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)(C1CC1)C1CC1 ZINC000620027590 492286550 /nfs/dbraw/zinc/28/65/50/492286550.db2.gz QNLXXBCXHNWCOO-UHFFFAOYSA-N -1 1 355.416 0.352 10 0 FCAEMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000655296605 492426855 /nfs/dbraw/zinc/42/68/55/492426855.db2.gz QJFJMDNHZJOXMI-UONOGXRCSA-N -1 1 360.389 0.916 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OCC(F)(F)F)o2)n1 ZINC000655390584 492439603 /nfs/dbraw/zinc/43/96/03/492439603.db2.gz MMZSTYHZIVHXIC-UHFFFAOYSA-N -1 1 354.266 0.995 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(OCC(F)(F)F)o2)n[n-]1 ZINC000655390584 492439605 /nfs/dbraw/zinc/43/96/05/492439605.db2.gz MMZSTYHZIVHXIC-UHFFFAOYSA-N -1 1 354.266 0.995 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000622146541 492459281 /nfs/dbraw/zinc/45/92/81/492459281.db2.gz XKUQHYWXDLJEES-VXGBXAGGSA-N -1 1 351.384 0.186 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000622146541 492459284 /nfs/dbraw/zinc/45/92/84/492459284.db2.gz XKUQHYWXDLJEES-VXGBXAGGSA-N -1 1 351.384 0.186 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn(C3CCC3)nn2)c1 ZINC000648908909 492473757 /nfs/dbraw/zinc/47/37/57/492473757.db2.gz SQSXCXQWKCSDAT-UHFFFAOYSA-N -1 1 351.388 0.869 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3c(C)nc4ccnn4c3C)nc2n1 ZINC000622871926 492492206 /nfs/dbraw/zinc/49/22/06/492492206.db2.gz NTJMPQTUXSWNRK-UHFFFAOYSA-N -1 1 366.385 0.957 10 0 FCAEMM Cc1cc(CN(Cc2nc(=O)n(C)[n-]2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000649745332 492578155 /nfs/dbraw/zinc/57/81/55/492578155.db2.gz KCCJILBATFVLKE-UHFFFAOYSA-N -1 1 365.459 0.537 10 0 FCAEMM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000656375452 492616103 /nfs/dbraw/zinc/61/61/03/492616103.db2.gz PLWGTKDCKGVLIT-UHFFFAOYSA-N -1 1 351.425 0.587 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000629287067 492601573 /nfs/dbraw/zinc/60/15/73/492601573.db2.gz MFAVFUPXYSFADG-AWEZNQCLSA-N -1 1 370.406 0.507 10 0 FCAEMM CS(=O)(=O)CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656883884 492659023 /nfs/dbraw/zinc/65/90/23/492659023.db2.gz UTIVRRMFCXRILU-UHFFFAOYSA-N -1 1 357.251 0.557 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)[C@@H]1CCOC1 ZINC000656913303 492667860 /nfs/dbraw/zinc/66/78/60/492667860.db2.gz MEWIZVGTIHFMKP-DDTOSNHZSA-N -1 1 365.398 0.969 10 0 FCAEMM O=S(=O)([N-]C[C@]1(O)CCSC1)c1ncccc1Br ZINC000656926259 492670101 /nfs/dbraw/zinc/67/01/01/492670101.db2.gz MHPUFZAMEZHSDL-SNVBAGLBSA-N -1 1 353.263 0.990 10 0 FCAEMM O=S(=O)([N-]C[C@H](CO)[C@@H]1CCOC1)c1ncccc1Br ZINC000656978154 492685164 /nfs/dbraw/zinc/68/51/64/492685164.db2.gz FMCZXQFDLSUDKX-NXEZZACHSA-N -1 1 365.249 0.767 10 0 FCAEMM O=S(=O)([N-][C@H]1CCc2nnnn2CC1)c1ncccc1Br ZINC000657018822 492695611 /nfs/dbraw/zinc/69/56/11/492695611.db2.gz OSUVEOMZLOKGGF-QMMMGPOBSA-N -1 1 373.236 0.514 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCc2nnnn2CC1)c1ncccc1Br ZINC000657018820 492695760 /nfs/dbraw/zinc/69/57/60/492695760.db2.gz OSUVEOMZLOKGGF-MRVPVSSYSA-N -1 1 373.236 0.514 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(F)c1 ZINC000657086345 492712799 /nfs/dbraw/zinc/71/27/99/492712799.db2.gz LOJCRFZGODATSY-CQSZACIVSA-N -1 1 367.370 0.420 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H](COC)[C@@H]2CCCO2)CCOCC1 ZINC000625168758 492733696 /nfs/dbraw/zinc/73/36/96/492733696.db2.gz ZBYHNCLGVZRUEW-KGLIPLIRSA-N -1 1 351.465 0.686 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cnn(C3CCCC3)c2)CC1 ZINC000630415179 492745238 /nfs/dbraw/zinc/74/52/38/492745238.db2.gz OKRFLMOTIADLHD-UHFFFAOYSA-N -1 1 356.448 0.779 10 0 FCAEMM Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC000630507063 492748569 /nfs/dbraw/zinc/74/85/69/492748569.db2.gz STBBNGCJSSMSMU-UHFFFAOYSA-N -1 1 368.445 0.741 10 0 FCAEMM COc1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1[N-]S(C)(=O)=O ZINC000630681256 492766044 /nfs/dbraw/zinc/76/60/44/492766044.db2.gz GOZUHUIGBJPTFC-UHFFFAOYSA-N -1 1 369.443 0.870 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000630896496 492782188 /nfs/dbraw/zinc/78/21/88/492782188.db2.gz NAQBAFRHHYVBCZ-CQSZACIVSA-N -1 1 364.837 0.975 10 0 FCAEMM CCN1CCN([C@H](C)CN=c2nn[n-]n2Cc2ccc(OC)cc2)CC1 ZINC000631059667 492795912 /nfs/dbraw/zinc/79/59/12/492795912.db2.gz PLAPPWMYALWDOM-OAHLLOKOSA-N -1 1 359.478 0.590 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC000651691163 492807524 /nfs/dbraw/zinc/80/75/24/492807524.db2.gz FHYRSCYIJVKMKK-INIZCTEOSA-N -1 1 370.457 0.952 10 0 FCAEMM Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)o1 ZINC000651697178 492808856 /nfs/dbraw/zinc/80/88/56/492808856.db2.gz UICBURDDLZJLOD-UHFFFAOYSA-N -1 1 362.434 0.711 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O)C1CCOCC1 ZINC000625521648 492809435 /nfs/dbraw/zinc/80/94/35/492809435.db2.gz KZYHJTCLWNERBL-HOTGVXAUSA-N -1 1 368.455 0.911 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000632102294 492930145 /nfs/dbraw/zinc/93/01/45/492930145.db2.gz FXJPZLWCZMFIGC-UHFFFAOYSA-N -1 1 371.459 0.185 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000632142808 492938919 /nfs/dbraw/zinc/93/89/19/492938919.db2.gz IUSYMOHTLPTSGI-AWEZNQCLSA-N -1 1 364.837 0.664 10 0 FCAEMM CN1CCO[C@@H]([C@H](NC(=O)CCc2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000632223718 492953147 /nfs/dbraw/zinc/95/31/47/492953147.db2.gz RGVACWAJGUMUOT-CZUORRHYSA-N -1 1 364.837 0.974 10 0 FCAEMM CN1CCO[C@H]([C@@H](NC(=O)CCc2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000632223716 492953487 /nfs/dbraw/zinc/95/34/87/492953487.db2.gz RGVACWAJGUMUOT-BBRMVZONSA-N -1 1 364.837 0.974 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@]12C[C@@H]1CCCC2)[N-]CC(F)F ZINC000632318477 492971596 /nfs/dbraw/zinc/97/15/96/492971596.db2.gz QCNIUKRFZYKGLF-JQWIXIFHSA-N -1 1 360.448 0.813 10 0 FCAEMM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000645865809 492985927 /nfs/dbraw/zinc/98/59/27/492985927.db2.gz DJJJAAPFSXUTKA-QMMMGPOBSA-N -1 1 365.408 0.006 10 0 FCAEMM CN1C[C@@H](N[C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CCC1=O ZINC000653285364 493090201 /nfs/dbraw/zinc/09/02/01/493090201.db2.gz MRFLRRHPRYASHW-KBPBESRZSA-N -1 1 359.382 0.223 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000632844442 493093665 /nfs/dbraw/zinc/09/36/65/493093665.db2.gz QFGJIBFRYKJVDT-UHFFFAOYSA-N -1 1 350.810 0.939 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)on1 ZINC000660010708 493314689 /nfs/dbraw/zinc/31/46/89/493314689.db2.gz PIBKWWHIFWTCMM-UHFFFAOYSA-N -1 1 360.413 0.874 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000670406717 493561548 /nfs/dbraw/zinc/56/15/48/493561548.db2.gz AWALCHPMBAQPIW-ZDUSSCGKSA-N -1 1 352.460 0.178 10 0 FCAEMM CN(C)c1noc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)n1 ZINC000663248143 493580217 /nfs/dbraw/zinc/58/02/17/493580217.db2.gz KTVUWJBTQSWYQZ-UHFFFAOYSA-N -1 1 354.417 0.880 10 0 FCAEMM CN(C)c1noc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)n1 ZINC000663248143 493580221 /nfs/dbraw/zinc/58/02/21/493580221.db2.gz KTVUWJBTQSWYQZ-UHFFFAOYSA-N -1 1 354.417 0.880 10 0 FCAEMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663616915 493604681 /nfs/dbraw/zinc/60/46/81/493604681.db2.gz ANPMBQDYJFGRFK-LSDHHAIUSA-N -1 1 369.462 0.077 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCC1 ZINC000663620517 493605195 /nfs/dbraw/zinc/60/51/95/493605195.db2.gz ZWINXWRDTZTMFV-IRXDYDNUSA-N -1 1 373.453 0.994 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CCC1 ZINC000663620516 493605255 /nfs/dbraw/zinc/60/52/55/493605255.db2.gz ZWINXWRDTZTMFV-IAGOWNOFSA-N -1 1 373.453 0.994 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000678112362 493635289 /nfs/dbraw/zinc/63/52/89/493635289.db2.gz DSAPTDZNRLCKQW-UHFFFAOYSA-N -1 1 366.385 0.908 10 0 FCAEMM NC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n[nH]1 ZINC000679203205 493672243 /nfs/dbraw/zinc/67/22/43/493672243.db2.gz WPPXJGDJRYWURC-UHFFFAOYSA-N -1 1 358.763 0.734 10 0 FCAEMM COc1cc(C(=O)Nc2cnn(CC(=O)NCCO)c2)cc(Cl)c1[O-] ZINC000443134480 536537330 /nfs/dbraw/zinc/53/73/30/536537330.db2.gz PVHSHCKHNAWDDI-UHFFFAOYSA-N -1 1 368.777 0.612 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)CCOCC1 ZINC000593213841 546694559 /nfs/dbraw/zinc/69/45/59/546694559.db2.gz YWJGRQGEVSPNGC-UHFFFAOYSA-N -1 1 371.415 0.432 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccnn1C ZINC000594791937 546825159 /nfs/dbraw/zinc/82/51/59/546825159.db2.gz AKEZWTJMQRSEKF-ZIAGYGMSSA-N -1 1 359.448 0.759 10 0 FCAEMM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nc(COC)n[nH]1 ZINC000594828037 546838690 /nfs/dbraw/zinc/83/86/90/546838690.db2.gz QLFUPKLXFQDQMB-ZETCQYMHSA-N -1 1 374.341 0.255 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1cc(I)ccc1[O-] ZINC000235710989 547021185 /nfs/dbraw/zinc/02/11/85/547021185.db2.gz UEQKSEBXPUDYQS-LLVKDONJSA-N -1 1 351.140 0.470 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c1C(F)(F)F ZINC000866839041 663137234 /nfs/dbraw/zinc/13/72/34/663137234.db2.gz TZGKRYUMTBJWII-SECBINFHSA-N -1 1 357.354 0.505 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c(Br)n1 ZINC000866850728 663145265 /nfs/dbraw/zinc/14/52/65/663145265.db2.gz ZBHQCEQPRPANCR-LURJTMIESA-N -1 1 366.159 0.774 10 0 FCAEMM C[C@H](O)[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000717387428 673576871 /nfs/dbraw/zinc/57/68/71/673576871.db2.gz SUNQBRVGWMLETN-QUBYGPBYSA-N -1 1 351.140 0.468 10 0 FCAEMM CCOCCS(=O)(=O)[N-]Cc1nc(-c2cc(C(=O)OC)co2)no1 ZINC000904952403 665994552 /nfs/dbraw/zinc/99/45/52/665994552.db2.gz WTDBTKBMNIOSAW-UHFFFAOYSA-N -1 1 359.360 0.572 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000866893217 664288743 /nfs/dbraw/zinc/28/87/43/664288743.db2.gz NQCDWDHRKLVNBP-BWZBUEFSSA-N -1 1 363.237 0.460 10 0 FCAEMM O=C(C[N-]C(=O)C(F)(F)c1ncccc1Br)NCCO ZINC000907007835 666088258 /nfs/dbraw/zinc/08/82/58/666088258.db2.gz GJILAVWPWVTNGA-UHFFFAOYSA-N -1 1 352.135 0.161 10 0 FCAEMM O=C([N-][C@@H]1CCC(=O)NC1=O)C(F)(F)c1ncccc1Br ZINC000907076395 666091955 /nfs/dbraw/zinc/09/19/55/666091955.db2.gz JXJRTDLJCHDUPL-SSDOTTSWSA-N -1 1 362.130 0.857 10 0 FCAEMM Cn1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(Br)n1 ZINC000907475383 666132580 /nfs/dbraw/zinc/13/25/80/666132580.db2.gz JGQXOGVXYLUSKZ-ZETCQYMHSA-N -1 1 358.225 0.626 10 0 FCAEMM CCN1CCN(CC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000910512106 666246836 /nfs/dbraw/zinc/24/68/36/666246836.db2.gz CSFAMMWZNORQBH-GOSISDBHSA-N -1 1 351.422 0.965 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CN3CCC[C@H](C(=O)[O-])C3)O2)[C@H]1C ZINC000910547925 666250415 /nfs/dbraw/zinc/25/04/15/666250415.db2.gz WWICGZQEXDEFBX-YUYGLALOSA-N -1 1 354.447 0.872 10 0 FCAEMM CS(=O)(=O)N1CC[C@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000911882568 666379760 /nfs/dbraw/zinc/37/97/60/666379760.db2.gz KNYRVTXXSLRDMR-VIFPVBQESA-N -1 1 353.375 0.843 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCS(=O)(=O)C1 ZINC000921465497 666448911 /nfs/dbraw/zinc/44/89/11/666448911.db2.gz HUDHOEVADCQHBW-GFCCVEGCSA-N -1 1 355.384 0.447 10 0 FCAEMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000732045157 666852680 /nfs/dbraw/zinc/85/26/80/666852680.db2.gz BEOGVPUVEXANOX-UHFFFAOYSA-N -1 1 362.371 0.886 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)c(F)c1 ZINC000918974371 667148007 /nfs/dbraw/zinc/14/80/07/667148007.db2.gz ZPHNPOPKIQKVSY-NSHDSACASA-N -1 1 350.387 0.245 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1ccc(Cl)nc1Cl ZINC000918989405 667149191 /nfs/dbraw/zinc/14/91/91/667149191.db2.gz QVDOCAPMUDVMMB-VIFPVBQESA-N -1 1 370.258 0.360 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@@H]1CN(C)CCN1C ZINC000919975164 667211483 /nfs/dbraw/zinc/21/14/83/667211483.db2.gz SXTNEOCBTPIBSQ-QSRBQVKKSA-N -1 1 354.542 0.351 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC2C[C@H]3CC[C@@H](C2)S3)c(=O)n(C)c1=O ZINC000920822863 667256477 /nfs/dbraw/zinc/25/64/77/667256477.db2.gz SNWUYYFXGWSZIY-FGWVZKOKSA-N -1 1 359.473 0.037 10 0 FCAEMM C[C@@H](CN1CCN(S(=O)(=O)N(C)C)CC1)C(=O)c1ccc([O-])cc1 ZINC000929246507 667492260 /nfs/dbraw/zinc/49/22/60/667492260.db2.gz PJVSEIDMLUBZHF-ZDUSSCGKSA-N -1 1 355.460 0.635 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OC2CCN(c3ccncn3)CC2)o1 ZINC000752577594 667521613 /nfs/dbraw/zinc/52/16/13/667521613.db2.gz FGEAUHDNISRTIA-UHFFFAOYSA-N -1 1 366.399 0.804 10 0 FCAEMM Cn1nnc2c1C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)CC2 ZINC000922040349 667572896 /nfs/dbraw/zinc/57/28/96/667572896.db2.gz ACAZTGIOMPLBBC-QMMMGPOBSA-N -1 1 372.248 0.808 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2noc3c2COCC3)c(C(F)(F)F)n1 ZINC000922077938 667582517 /nfs/dbraw/zinc/58/25/17/667582517.db2.gz UBNPKPZMRCSCQI-UHFFFAOYSA-N -1 1 366.321 0.978 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@]2(C)CCOc3ccccc32)c(=O)n(C)c1=O ZINC000922097358 667585920 /nfs/dbraw/zinc/58/59/20/667585920.db2.gz VAKPSUVRSZNKDY-MRXNPFEDSA-N -1 1 365.411 0.060 10 0 FCAEMM C[C@H]1CCN(C(=O)NCC[S@@](C)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805127622 667713239 /nfs/dbraw/zinc/71/32/39/667713239.db2.gz QPWUWYVKSHDRKX-IITLRRQXSA-N -1 1 357.398 0.852 10 0 FCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000758500354 667767747 /nfs/dbraw/zinc/76/77/47/667767747.db2.gz XKMIHXBTLPBTMA-QRGHLMKCSA-N -1 1 364.217 0.873 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000758506076 667768461 /nfs/dbraw/zinc/76/84/61/667768461.db2.gz XKMIHXBTLPBTMA-MVIFTORASA-N -1 1 364.217 0.873 10 0 FCAEMM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1cc(Br)cnc1Cl ZINC000707055169 667791134 /nfs/dbraw/zinc/79/11/34/667791134.db2.gz DCJLCKLZHIJIBE-YUMQZZPRSA-N -1 1 371.640 0.926 10 0 FCAEMM COC[C@H](CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)OC ZINC000710623421 667792653 /nfs/dbraw/zinc/79/26/53/667792653.db2.gz ADANHWCCWCRGOK-VIFPVBQESA-N -1 1 370.269 0.821 10 0 FCAEMM CC(C)COC[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923255678 667819600 /nfs/dbraw/zinc/81/96/00/667819600.db2.gz PQDMXRHIMJZICG-WOPDTQHZSA-N -1 1 370.368 0.616 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000766142731 668022938 /nfs/dbraw/zinc/02/29/38/668022938.db2.gz YNDQWVSVFHXYRQ-LBPRGKRZSA-N -1 1 351.403 0.507 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c1Cl ZINC000768547847 668085866 /nfs/dbraw/zinc/08/58/66/668085866.db2.gz RYWHLEPDWHUFNC-UHFFFAOYSA-N -1 1 355.869 0.567 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c(=O)[nH]c1=O ZINC000769655450 668146636 /nfs/dbraw/zinc/14/66/36/668146636.db2.gz AHMIMCGUSFKQRR-LBPRGKRZSA-N -1 1 361.464 0.824 10 0 FCAEMM Cn1c(CO)nnc1SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000769872639 668159630 /nfs/dbraw/zinc/15/96/30/668159630.db2.gz JTPDQVZHRHBOHA-UHFFFAOYSA-N -1 1 372.353 0.958 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000775586054 668222713 /nfs/dbraw/zinc/22/27/13/668222713.db2.gz SARVODFFUVBRKA-JMEBYUIHSA-N -1 1 364.217 0.873 10 0 FCAEMM O=C(Cn1cc(-c2ccccc2)nn1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563150 668272038 /nfs/dbraw/zinc/27/20/38/668272038.db2.gz HIYDQZZXMSKOIG-CYBMUJFWSA-N -1 1 356.415 0.775 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)co1 ZINC000772922294 668335955 /nfs/dbraw/zinc/33/59/55/668335955.db2.gz DPKBLILTMHOZAF-WDEREUQCSA-N -1 1 373.431 0.784 10 0 FCAEMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000784389712 668654643 /nfs/dbraw/zinc/65/46/43/668654643.db2.gz FNVYLPHNMFTSJQ-LLVKDONJSA-N -1 1 357.494 0.708 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c1Cl ZINC000785335975 668707252 /nfs/dbraw/zinc/70/72/52/668707252.db2.gz HIEBHVCUDBVYKW-UHFFFAOYSA-N -1 1 364.836 0.351 10 0 FCAEMM C[C@H]1CCN(CCS(=O)(=O)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805784997 668721182 /nfs/dbraw/zinc/72/11/82/668721182.db2.gz AWEJZZGTOOFGIV-DCAQKATOSA-N -1 1 359.414 0.655 10 0 FCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OCC ZINC000788667542 668837498 /nfs/dbraw/zinc/83/74/98/668837498.db2.gz GJINONABERIQAW-BXKUYDPTSA-N -1 1 359.404 0.681 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(F)cc1Cl ZINC000795802371 669062778 /nfs/dbraw/zinc/06/27/78/669062778.db2.gz CGUZQWONOZCGEA-MRVPVSSYSA-N -1 1 367.782 0.959 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(F)cc1Cl ZINC000795811067 669063102 /nfs/dbraw/zinc/06/31/02/669063102.db2.gz FCCHWNVWQBSCQB-JTQLQIEISA-N -1 1 364.782 0.823 10 0 FCAEMM CC[S@@](=O)CCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798421704 669236344 /nfs/dbraw/zinc/23/63/44/669236344.db2.gz OZAGFFZVYYGMNA-HSZRJFAPSA-N -1 1 357.398 0.855 10 0 FCAEMM NC(=O)c1ncccc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021364 669275730 /nfs/dbraw/zinc/27/57/30/669275730.db2.gz XAOBBVJKUFKBTI-UHFFFAOYSA-N -1 1 358.320 0.711 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)ccnc1-2 ZINC000806493041 669417327 /nfs/dbraw/zinc/41/73/27/669417327.db2.gz NYWJMYFCOVPASW-PWSUYJOCSA-N -1 1 366.447 0.181 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCOC[C@@H]3CC(F)F)ccnc1-2 ZINC000807384115 669484613 /nfs/dbraw/zinc/48/46/13/669484613.db2.gz YBFOMRFCZNTGEA-VIFPVBQESA-N -1 1 353.329 0.163 10 0 FCAEMM C[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802479 669517299 /nfs/dbraw/zinc/51/72/99/669517299.db2.gz XAAJANQQTDSQEG-GVXVVHGQSA-N -1 1 351.369 0.623 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1ccnn1C ZINC000828127478 669618661 /nfs/dbraw/zinc/61/86/61/669618661.db2.gz OKWMJFABGCHPMK-CYBMUJFWSA-N -1 1 365.367 0.283 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCC[C@H]2CCOC2)o1 ZINC000829070720 669683086 /nfs/dbraw/zinc/68/30/86/669683086.db2.gz YCXZWGUIVGIDIC-JTQLQIEISA-N -1 1 360.388 0.017 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCC[C@@H]2CCOC2)o1 ZINC000829070722 669683264 /nfs/dbraw/zinc/68/32/64/669683264.db2.gz YCXZWGUIVGIDIC-SNVBAGLBSA-N -1 1 360.388 0.017 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811139034 669733699 /nfs/dbraw/zinc/73/36/99/669733699.db2.gz ZQKAQURTDQDDSU-OAHLLOKOSA-N -1 1 366.455 0.844 10 0 FCAEMM CC(=O)N1CSC[C@H]1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830829364 669808495 /nfs/dbraw/zinc/80/84/95/669808495.db2.gz XPKOQCKMWWRDQK-CABZTGNLSA-N -1 1 353.366 0.577 10 0 FCAEMM CC1=NO[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000831243064 669837212 /nfs/dbraw/zinc/83/72/12/669837212.db2.gz DWZWFPQTPSDMTI-AWEZNQCLSA-N -1 1 369.399 0.516 10 0 FCAEMM C[C@H]1CCN(C(=O)C2(O)CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813634809 669845660 /nfs/dbraw/zinc/84/56/60/669845660.db2.gz FQGQEBFPSLKOTK-DCAQKATOSA-N -1 1 352.353 0.832 10 0 FCAEMM C[S@](=O)(=NS(=O)(=O)[N-]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000867071969 669846780 /nfs/dbraw/zinc/84/67/80/669846780.db2.gz QAYISXQXHYOZEU-SFDCACGMSA-N -1 1 371.484 0.989 10 0 FCAEMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000831778553 669867082 /nfs/dbraw/zinc/86/70/82/669867082.db2.gz RYLZWLSBIGASTG-NSHDSACASA-N -1 1 370.269 0.557 10 0 FCAEMM COCC[C@@H](C)S(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000814285503 669879861 /nfs/dbraw/zinc/87/98/61/669879861.db2.gz WAJSTECLAOAVBU-IPYPFGDCSA-N -1 1 359.444 0.824 10 0 FCAEMM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867106153 669941066 /nfs/dbraw/zinc/94/10/66/669941066.db2.gz WTNAGFVIUZQTHD-DTWKUNHWSA-N -1 1 357.354 0.911 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccncc2)c1 ZINC000835451428 669999837 /nfs/dbraw/zinc/99/98/37/669999837.db2.gz LDDGBXLDZZAZAY-UHFFFAOYSA-N -1 1 366.399 0.526 10 0 FCAEMM COCCN1CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000867149870 670018457 /nfs/dbraw/zinc/01/84/57/670018457.db2.gz YQIYGIVXFMSAEZ-DMZKTXOQSA-N -1 1 361.489 0.698 10 0 FCAEMM CCOC1CC(O)(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867197606 670068736 /nfs/dbraw/zinc/06/87/36/670068736.db2.gz XBAICMLBSZOMGZ-UHFFFAOYSA-N -1 1 357.354 0.647 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c1C(F)(F)F ZINC000867220085 670087292 /nfs/dbraw/zinc/08/72/92/670087292.db2.gz FXRUGZXVFINBMO-IUCAKERBSA-N -1 1 357.354 0.362 10 0 FCAEMM COCCn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(C)n1 ZINC000843013811 670765908 /nfs/dbraw/zinc/76/59/08/670765908.db2.gz ARUMYUWHSSWIBD-UHFFFAOYSA-N -1 1 358.464 0.382 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cncc(-n3ccnn3)c2)CCC1 ZINC000843013380 670766185 /nfs/dbraw/zinc/76/61/85/670766185.db2.gz HVGIGMNCIPSRPH-UHFFFAOYSA-N -1 1 364.431 0.206 10 0 FCAEMM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843017367 670767258 /nfs/dbraw/zinc/76/72/58/670767258.db2.gz BZXJTHHVYQOMKP-UHFFFAOYSA-N -1 1 353.444 0.590 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018034 670768148 /nfs/dbraw/zinc/76/81/48/670768148.db2.gz LLBSDWDFRWPMKG-LLVKDONJSA-N -1 1 363.480 0.830 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc([S@](C)=O)cc2)CCC1 ZINC000843018794 670768694 /nfs/dbraw/zinc/76/86/94/670768694.db2.gz DYFXGCVKFWFFGU-QFIPXVFZSA-N -1 1 358.485 0.968 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(C)nc2C(F)(F)F)CCC1 ZINC000843019818 670769266 /nfs/dbraw/zinc/76/92/66/670769266.db2.gz XUTOPMOMIWMCJM-UHFFFAOYSA-N -1 1 368.381 0.983 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H](O)C(F)F ZINC000867331055 670846692 /nfs/dbraw/zinc/84/66/92/670846692.db2.gz OCGHAQMZOZOORV-VDTYLAMSSA-N -1 1 362.196 0.866 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)[C@H](O)C(F)F ZINC000867331287 670848326 /nfs/dbraw/zinc/84/83/26/670848326.db2.gz RQDOCSKSXMPXOW-VDTYLAMSSA-N -1 1 362.196 0.866 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@]1(O)CCOC1 ZINC000847388878 671188925 /nfs/dbraw/zinc/18/89/25/671188925.db2.gz JVGLMWMUWOALJS-GYSYKLTISA-N -1 1 367.368 0.769 10 0 FCAEMM C[C@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)NC(N)=O ZINC000848077759 671249125 /nfs/dbraw/zinc/24/91/25/671249125.db2.gz NIGJKRFGDMJAGV-DKIAZLNASA-N -1 1 352.357 0.737 10 0 FCAEMM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000848957622 671306140 /nfs/dbraw/zinc/30/61/40/671306140.db2.gz RIAAIBRKVHKPAJ-UHFFFAOYSA-N -1 1 363.461 0.914 10 0 FCAEMM O=S(=O)(CCCCS(=O)(=O)N1CCCO1)[N-]c1cccc(F)n1 ZINC000848970472 671315345 /nfs/dbraw/zinc/31/53/45/671315345.db2.gz XOFKKYIRTVWZNW-UHFFFAOYSA-N -1 1 367.424 0.710 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CC1 ZINC000849230211 671323177 /nfs/dbraw/zinc/32/31/77/671323177.db2.gz AJJOFKIHKYTDOO-UWVGGRQHSA-N -1 1 372.365 0.712 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O)[C@H]1CCOC1 ZINC000849393653 671335228 /nfs/dbraw/zinc/33/52/28/671335228.db2.gz BPRLTGFRNSWQQQ-KSZJFAHPSA-N -1 1 357.428 0.452 10 0 FCAEMM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC000849446907 671347333 /nfs/dbraw/zinc/34/73/33/671347333.db2.gz DLWCXGAOEVXETG-GFCCVEGCSA-N -1 1 351.812 0.842 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H](O)C(F)(F)F ZINC000867646065 671353159 /nfs/dbraw/zinc/35/31/59/671353159.db2.gz CBTHKYGDKQDBDI-XINAWCOVSA-N -1 1 366.159 0.773 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000851503767 671445940 /nfs/dbraw/zinc/44/59/40/671445940.db2.gz JXIUQZWNZQKXTA-CQSZACIVSA-N -1 1 354.444 0.306 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncnc1 ZINC000851703504 671461762 /nfs/dbraw/zinc/46/17/62/671461762.db2.gz PKTGZRSTFZRRLN-MWLCHTKSSA-N -1 1 360.292 0.142 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1nnnn1C1CC1 ZINC000852734362 671520756 /nfs/dbraw/zinc/52/07/56/671520756.db2.gz AFGWNVJIFQUKCZ-WPRPVWTQSA-N -1 1 362.312 0.104 10 0 FCAEMM C[C@@H]1CCN(C(=O)NC2COCCOC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000854089772 671565630 /nfs/dbraw/zinc/56/56/30/671565630.db2.gz QCVCIYYHDNBMGR-KOLCDFICSA-N -1 1 353.341 0.500 10 0 FCAEMM CC(C)(C)n1nnc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000854525947 671582117 /nfs/dbraw/zinc/58/21/17/671582117.db2.gz JUMQGQKAIJAVAB-SECBINFHSA-N -1 1 362.356 0.959 10 0 FCAEMM O=C(Nc1ccc([O-])c(C(=O)N2CC(O)(CO)C2)c1)OCC(F)(F)F ZINC000854674343 671593921 /nfs/dbraw/zinc/59/39/21/671593921.db2.gz UCQMPZGIHYILSY-UHFFFAOYSA-N -1 1 364.276 0.682 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[S@](=O)CC(F)(F)F)o1 ZINC000855274379 671634110 /nfs/dbraw/zinc/63/41/10/671634110.db2.gz KNNYAHHERQNHOJ-NRFANRHFSA-N -1 1 362.351 0.229 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC[S@@](=O)CC(F)(F)F)co1 ZINC000855277318 671634245 /nfs/dbraw/zinc/63/42/45/671634245.db2.gz YPUFUOHPNDYRIS-OAQYLSRUSA-N -1 1 362.351 0.229 10 0 FCAEMM C[C@@H](O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000855748767 671662846 /nfs/dbraw/zinc/66/28/46/671662846.db2.gz PYSPBFDUWQCNKC-OPRDCNLKSA-N -1 1 368.352 0.747 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000856741085 671697970 /nfs/dbraw/zinc/69/79/70/671697970.db2.gz FLHZIGVYZBBNDE-LLVKDONJSA-N -1 1 352.391 0.749 10 0 FCAEMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858897881 671781315 /nfs/dbraw/zinc/78/13/15/671781315.db2.gz DTSCLXKCFNTADW-SSDOTTSWSA-N -1 1 366.212 0.930 10 0 FCAEMM O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858927428 671783220 /nfs/dbraw/zinc/78/32/20/671783220.db2.gz KYONWCCRWRIKOP-LURJTMIESA-N -1 1 352.185 0.540 10 0 FCAEMM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859138917 671796039 /nfs/dbraw/zinc/79/60/39/671796039.db2.gz OSUORKGRLBTBPX-HQJQHLMTSA-N -1 1 369.212 0.801 10 0 FCAEMM C[C@@]1([N-]S(=O)(=O)c2ccc(Br)nc2F)CCOC1=O ZINC000859163749 671797343 /nfs/dbraw/zinc/79/73/43/671797343.db2.gz BTNKRZLBVNOJOR-SNVBAGLBSA-N -1 1 353.169 0.967 10 0 FCAEMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859203513 671800258 /nfs/dbraw/zinc/80/02/58/671800258.db2.gz XKIZOAYGOWERQZ-RNFRBKRXSA-N -1 1 355.185 0.675 10 0 FCAEMM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859225876 671802439 /nfs/dbraw/zinc/80/24/39/671802439.db2.gz GSJJYEHUCKNCQT-QMMMGPOBSA-N -1 1 366.212 0.786 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)n1 ZINC000859252126 671804770 /nfs/dbraw/zinc/80/47/70/671804770.db2.gz MNHNOETVPJQHMO-UHFFFAOYSA-N -1 1 359.795 0.612 10 0 FCAEMM CCON(CC)C(=O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000859272991 671806838 /nfs/dbraw/zinc/80/68/38/671806838.db2.gz ZHTNZCVZNFSYAQ-UHFFFAOYSA-N -1 1 366.237 0.922 10 0 FCAEMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859335437 671816313 /nfs/dbraw/zinc/81/63/13/671816313.db2.gz XQOTUXWYCKVWAZ-QMMMGPOBSA-N -1 1 368.228 0.592 10 0 FCAEMM CCO[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1 ZINC000859666654 671842099 /nfs/dbraw/zinc/84/20/99/671842099.db2.gz RTXHIDSDTJCFJD-NSHDSACASA-N -1 1 360.388 0.015 10 0 FCAEMM CCO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1 ZINC000859666653 671842139 /nfs/dbraw/zinc/84/21/39/671842139.db2.gz RTXHIDSDTJCFJD-LLVKDONJSA-N -1 1 360.388 0.015 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000860230229 671876150 /nfs/dbraw/zinc/87/61/50/671876150.db2.gz FESLZXQHOSBOON-GXSJLCMTSA-N -1 1 358.370 0.747 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000860785580 671916381 /nfs/dbraw/zinc/91/63/81/671916381.db2.gz CKOLRESQYSJINI-GARJFASQSA-N -1 1 354.411 0.444 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000861024992 671933646 /nfs/dbraw/zinc/93/36/46/671933646.db2.gz BGWIUQIMNAKGOM-LLVKDONJSA-N -1 1 366.447 0.135 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2CCOC(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000861725931 671987549 /nfs/dbraw/zinc/98/75/49/671987549.db2.gz CQKGKJHYVXOZQS-QEYWKRMJSA-N -1 1 351.325 0.789 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCO1 ZINC000862636041 672058145 /nfs/dbraw/zinc/05/81/45/672058145.db2.gz DMHIROZMZUKVQI-NSHDSACASA-N -1 1 351.407 0.384 10 0 FCAEMM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000863619138 672142047 /nfs/dbraw/zinc/14/20/47/672142047.db2.gz QWKGYTPHQLCTLB-NXEZZACHSA-N -1 1 351.425 0.680 10 0 FCAEMM O=C([N-]Cc1cc(C(F)(F)F)on1)C(F)(F)C(=O)N1CCOCC1 ZINC000866052450 672262079 /nfs/dbraw/zinc/26/20/79/672262079.db2.gz DXHBALPMRLCQSB-UHFFFAOYSA-N -1 1 357.235 0.804 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)c1C(F)(F)F ZINC000866404848 672271032 /nfs/dbraw/zinc/27/10/32/672271032.db2.gz WVNMHFYZDQSUSV-VIFPVBQESA-N -1 1 361.367 0.294 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000866833595 672315890 /nfs/dbraw/zinc/31/58/90/672315890.db2.gz OVMKTCCYGSKSSN-QKVFXAPYSA-N -1 1 352.453 0.929 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H](N2CCOCC2)C1(C)C ZINC000867451401 672317501 /nfs/dbraw/zinc/31/75/01/672317501.db2.gz FUKDIICEBFLPDW-IDFMNXDXSA-N -1 1 353.510 0.438 10 0 FCAEMM CCN1C[C@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000867461584 672320133 /nfs/dbraw/zinc/32/01/33/672320133.db2.gz VJMSHDJUJCMCBB-QMMMGPOBSA-N -1 1 354.354 0.586 10 0 FCAEMM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867555990 672336492 /nfs/dbraw/zinc/33/64/92/672336492.db2.gz SNIAIYYJMWPMPZ-UHFFFAOYSA-N -1 1 358.342 0.517 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2CC(C(=O)OC)C2)c1F ZINC000867768562 672365620 /nfs/dbraw/zinc/36/56/20/672365620.db2.gz CLKCHBWFYVQDJZ-UHFFFAOYSA-N -1 1 363.338 0.981 10 0 FCAEMM NC(=O)[C@H]1C[C@H](NC(=O)c2ccc(I)cc2[O-])C1 ZINC000869415867 672431407 /nfs/dbraw/zinc/43/14/07/672431407.db2.gz PFZIJZRPRWRHAM-FKQCQYRASA-N -1 1 360.151 0.991 10 0 FCAEMM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000869993279 672459988 /nfs/dbraw/zinc/45/99/88/672459988.db2.gz ZSPWERXVIHBGIO-ZUZCIYMTSA-N -1 1 350.400 0.811 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000871212208 672536318 /nfs/dbraw/zinc/53/63/18/672536318.db2.gz KRLDRKPUBXCUTD-NXEZZACHSA-N -1 1 372.365 0.412 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000924871307 673767780 /nfs/dbraw/zinc/76/77/80/673767780.db2.gz VVGCLCCYEICUIJ-MNOVXSKESA-N -1 1 350.400 0.859 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000924871311 673767886 /nfs/dbraw/zinc/76/78/86/673767886.db2.gz VVGCLCCYEICUIJ-WDEREUQCSA-N -1 1 350.400 0.859 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CC3CCC2CC3)CC1 ZINC000929042955 673937438 /nfs/dbraw/zinc/93/74/38/673937438.db2.gz GYYWSJIAHFGQKH-UYSNPLJNSA-N -1 1 352.479 0.909 10 0 FCAEMM CN1C[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCC1=O ZINC000930165460 674002316 /nfs/dbraw/zinc/00/23/16/674002316.db2.gz IUVBCOWNTTTWCK-VIFPVBQESA-N -1 1 355.341 0.066 10 0 FCAEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000327496301 1170021960 /nfs/dbraw/zinc/02/19/60/1170021960.db2.gz OJNJIBSSYGVPLL-UHFFFAOYSA-N -1 1 373.387 0.384 10 0 FCAEMM COC1(OC)CC2(CN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C(C)C)C1 ZINC000898355748 1192868079 /nfs/dbraw/zinc/86/80/79/1192868079.db2.gz YFGZEYFOMOWXRL-AWEZNQCLSA-N -1 1 365.430 0.563 10 0 FCAEMM C[N@H+]1CCC[C@@H](NC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000052589442 1179384038 /nfs/dbraw/zinc/38/40/38/1179384038.db2.gz DCUKTWLRNXLFEK-GFCCVEGCSA-N -1 1 358.402 0.616 10 0 FCAEMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3[nH]nc(C)c3[O-])C2)n[nH]1 ZINC001719750695 1179877169 /nfs/dbraw/zinc/87/71/69/1179877169.db2.gz SVHSEIPKEFWIGJ-BXKDBHETSA-N -1 1 360.418 0.983 10 0 FCAEMM Cn1cc(Br)c(C[N-]S(=O)(=O)c2cccnc2C#N)n1 ZINC000393633981 1180882384 /nfs/dbraw/zinc/88/23/84/1180882384.db2.gz RHSOUXHRFWJGEO-UHFFFAOYSA-N -1 1 356.205 0.928 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H]3CCNC3=O)c2)n1 ZINC001270989924 1189472193 /nfs/dbraw/zinc/47/21/93/1189472193.db2.gz MMBLUHOEUVIFPJ-CYBMUJFWSA-N -1 1 371.397 0.791 10 0 FCAEMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001483137086 1194283486 /nfs/dbraw/zinc/28/34/86/1194283486.db2.gz KSKURQSQHRCNNK-KXUCPTDWSA-N -1 1 365.356 0.995 10 0 FCAEMM O=C([O-])c1cn(CC(=O)NC[C@@H]2CN3CCN2CCC3)c2ccccc12 ZINC000910688311 1195834169 /nfs/dbraw/zinc/83/41/69/1195834169.db2.gz VJRHPHGKBVTUPB-CQSZACIVSA-N -1 1 356.426 0.846 10 0 FCAEMM C[C@@H](CN(C)C(=O)CCC(=O)N1CCOc2ccccc21)c1nn[n-]n1 ZINC000735994271 1197906401 /nfs/dbraw/zinc/90/64/01/1197906401.db2.gz GZUROUNMDKHFSO-LBPRGKRZSA-N -1 1 358.402 0.967 10 0 FCAEMM O=C(N[C@H](Cc1cccnc1)C(=O)NN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000743290996 1198260297 /nfs/dbraw/zinc/26/02/97/1198260297.db2.gz PVTBLCARXYEUNP-CQSZACIVSA-N -1 1 367.365 0.006 10 0 FCAEMM CCn1nc2c(cc1=O)CN(C(=O)N=c1ccnc3n(C)[n-]cc1-3)CC2 ZINC000806492481 1202741845 /nfs/dbraw/zinc/74/18/45/1202741845.db2.gz HJGOMJUMKXTMIG-UHFFFAOYSA-N -1 1 353.386 0.509 10 0 FCAEMM Cn1cc(N2CCC[C@@H](NC(=O)N=c3ccnc4n(C)[n-]cc3-4)C2)cn1 ZINC000806492016 1202742041 /nfs/dbraw/zinc/74/20/41/1202742041.db2.gz AQRWSNHSACHWBS-GFCCVEGCSA-N -1 1 354.418 0.866 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)ccnc1-2 ZINC000806944056 1202799361 /nfs/dbraw/zinc/79/93/61/1202799361.db2.gz ANPRDXLRXSUXFL-UHFFFAOYSA-N -1 1 367.413 0.908 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC[C@H]3CCCC[C@@H]3O)ccnc1-2 ZINC000806945272 1202799662 /nfs/dbraw/zinc/79/96/62/1202799662.db2.gz SRWHHMCUXPNCNV-DOMZBBRYSA-N -1 1 359.430 0.728 10 0 FCAEMM Cn1nccc1C1=CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000807298485 1202819569 /nfs/dbraw/zinc/81/95/69/1202819569.db2.gz BPCBHHQBEIISSR-UHFFFAOYSA-N -1 1 365.397 0.330 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3cnn(C)n3)CC2)n1 ZINC000807569692 1202837658 /nfs/dbraw/zinc/83/76/58/1202837658.db2.gz QLFJXQZWCFWDEY-UHFFFAOYSA-N -1 1 362.394 0.199 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC001136266890 1203170569 /nfs/dbraw/zinc/17/05/69/1203170569.db2.gz CNIKCDXLVFZGMX-UHFFFAOYSA-N -1 1 369.377 0.658 10 0 FCAEMM CC(C)(CO)c1nc2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)ccc2[nH]1 ZINC001144255210 1204444622 /nfs/dbraw/zinc/44/46/22/1204444622.db2.gz RTQQYHLKXJJIGK-ZDUSSCGKSA-N -1 1 371.401 0.560 10 0 FCAEMM CC(C)(CO)c1nc2cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)ccc2[nH]1 ZINC001144255209 1204444693 /nfs/dbraw/zinc/44/46/93/1204444693.db2.gz RTQQYHLKXJJIGK-CYBMUJFWSA-N -1 1 371.401 0.560 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@](C)(O)c1ccccc1 ZINC000846084383 1204582729 /nfs/dbraw/zinc/58/27/29/1204582729.db2.gz CRRAJBMHLGCOCC-CWTRNNRKSA-N -1 1 367.409 0.693 10 0 FCAEMM CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)Nc3nnn[n-]3)ccn2)CC1 ZINC001147756692 1204806019 /nfs/dbraw/zinc/80/60/19/1204806019.db2.gz CWPNQIAQLSNTIP-UHFFFAOYSA-N -1 1 374.405 0.904 10 0 FCAEMM CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)Nc3nn[n-]n3)ccn2)CC1 ZINC001147756692 1204806021 /nfs/dbraw/zinc/80/60/21/1204806021.db2.gz CWPNQIAQLSNTIP-UHFFFAOYSA-N -1 1 374.405 0.904 10 0 FCAEMM Cc1nc2ccnn2c(C)c1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175213855 1206301903 /nfs/dbraw/zinc/30/19/03/1206301903.db2.gz IHHNUFRUMRUAIJ-UHFFFAOYSA-N -1 1 354.370 0.844 10 0 FCAEMM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001177476494 1206340024 /nfs/dbraw/zinc/34/00/24/1206340024.db2.gz SYGJZJFXKLYVHN-NWDGAFQWSA-N -1 1 365.386 0.134 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574011 1206343142 /nfs/dbraw/zinc/34/31/42/1206343142.db2.gz STFFCTXVHQKSPR-NSHDSACASA-N -1 1 359.390 0.971 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574011 1206343145 /nfs/dbraw/zinc/34/31/45/1206343145.db2.gz STFFCTXVHQKSPR-NSHDSACASA-N -1 1 359.390 0.971 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574011 1206343148 /nfs/dbraw/zinc/34/31/48/1206343148.db2.gz STFFCTXVHQKSPR-NSHDSACASA-N -1 1 359.390 0.971 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000775986497 1208357921 /nfs/dbraw/zinc/35/79/21/1208357921.db2.gz GSUBTHQCTXJLLL-UHFFFAOYSA-N -1 1 372.429 0.196 10 0 FCAEMM CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001489442185 1208832174 /nfs/dbraw/zinc/83/21/74/1208832174.db2.gz DEHMEMVIHSCONX-KGYLQXTDSA-N -1 1 369.441 0.680 10 0 FCAEMM COCC1(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@H](OC)C2)CCCCC1 ZINC001489531559 1208893096 /nfs/dbraw/zinc/89/30/96/1208893096.db2.gz LULTVYZUECLKTC-ZIAGYGMSSA-N -1 1 365.434 0.357 10 0 FCAEMM CC(C)CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489561038 1208928702 /nfs/dbraw/zinc/92/87/02/1208928702.db2.gz WEKAANCYTYCERY-SCRDCRAPSA-N -1 1 351.403 0.150 10 0 FCAEMM CC/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001490079039 1209245304 /nfs/dbraw/zinc/24/53/04/1209245304.db2.gz JVINWCLVCFZORB-SRXIBPRUSA-N -1 1 358.402 0.493 10 0 FCAEMM Cc1nn(C)cc1CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490320931 1209316104 /nfs/dbraw/zinc/31/61/04/1209316104.db2.gz GTBCWUVFIPMIIC-IUODEOHRSA-N -1 1 371.441 0.896 10 0 FCAEMM C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000850673296 1209479708 /nfs/dbraw/zinc/47/97/08/1209479708.db2.gz BOBMSGJUPISCJV-LDYMZIIASA-N -1 1 371.319 0.459 10 0 FCAEMM CN(C)c1cnn(C2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)c1 ZINC000854655446 1209638098 /nfs/dbraw/zinc/63/80/98/1209638098.db2.gz XNSUGWSELAEJJE-UHFFFAOYSA-N -1 1 360.418 0.053 10 0 FCAEMM Cn1nncc1CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000854966022 1209653060 /nfs/dbraw/zinc/65/30/60/1209653060.db2.gz IHOCUHVKLWVVMU-LBPRGKRZSA-N -1 1 367.331 0.994 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000855121398 1209659726 /nfs/dbraw/zinc/65/97/26/1209659726.db2.gz QOSQJDGUVKNCFV-HNNXBMFYSA-N -1 1 365.430 0.001 10 0 FCAEMM CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000859278430 1209815247 /nfs/dbraw/zinc/81/52/47/1209815247.db2.gz QCCPATOZUHGKBT-HTAVTVPLSA-N -1 1 366.422 0.745 10 0 FCAEMM C[C@@H](C(=O)Nc1ccncc1[O-])N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000860463163 1209849845 /nfs/dbraw/zinc/84/98/45/1209849845.db2.gz OTGHHVJZXLZJGL-NSHDSACASA-N -1 1 364.402 0.615 10 0 FCAEMM COC(=O)c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)c(OCC(F)F)c1 ZINC000861430059 1209866783 /nfs/dbraw/zinc/86/67/83/1209866783.db2.gz SRODPOFQUKCNIU-UHFFFAOYSA-N -1 1 372.284 0.705 10 0 FCAEMM COCCOCCN(CCO)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000862680907 1209921564 /nfs/dbraw/zinc/92/15/64/1209921564.db2.gz XJQADFUNRNCMGH-UHFFFAOYSA-N -1 1 366.418 0.078 10 0 FCAEMM C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929407819 1211637434 /nfs/dbraw/zinc/63/74/34/1211637434.db2.gz LECGCTAPZXVXII-NSHDSACASA-N -1 1 371.384 0.166 10 0 FCAEMM C[C@@H](CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)Cn1cccn1 ZINC000929564713 1211646371 /nfs/dbraw/zinc/64/63/71/1211646371.db2.gz KSLNRGOTEYZOSN-NSHDSACASA-N -1 1 366.368 0.978 10 0 FCAEMM CC(C)N1CC[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1=O ZINC000930191031 1211695075 /nfs/dbraw/zinc/69/50/75/1211695075.db2.gz TWIFMBYGRYHINO-CQSZACIVSA-N -1 1 369.368 0.455 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000778768830 1211920916 /nfs/dbraw/zinc/92/09/16/1211920916.db2.gz HOHLGTYBLWEZHB-VXGBXAGGSA-N -1 1 366.422 0.747 10 0 FCAEMM O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000956872994 1213218906 /nfs/dbraw/zinc/21/89/06/1213218906.db2.gz SOHBPWXVEAVUIJ-NSHDSACASA-N -1 1 355.354 0.891 10 0 FCAEMM CCN1C[C@@H](c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)CC1=O ZINC000351390611 1214786373 /nfs/dbraw/zinc/78/63/73/1214786373.db2.gz LRTAZODICIRZRN-NSHDSACASA-N -1 1 360.436 0.250 10 0 FCAEMM CCN1C(=O)CCc2cc(NC(=O)CCn3cc[n-]c(=O)c3=O)ccc21 ZINC000759259255 1220299391 /nfs/dbraw/zinc/29/93/91/1220299391.db2.gz SNMRBMLGNZOAOM-UHFFFAOYSA-N -1 1 356.382 0.865 10 0 FCAEMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798145074 1221279225 /nfs/dbraw/zinc/27/92/25/1221279225.db2.gz FUCQNJIBIOWHAT-BXUZGUMPSA-N -1 1 370.413 0.918 10 0 FCAEMM O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148062 1221280542 /nfs/dbraw/zinc/28/05/42/1221280542.db2.gz LGYLYBFRGPOPRR-OLZOCXBDSA-N -1 1 371.397 0.585 10 0 FCAEMM C[C@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CC(=O)N1Cc1ccccc1 ZINC000799087129 1221301682 /nfs/dbraw/zinc/30/16/82/1221301682.db2.gz JMXIYMVGMVEXIC-ZFWWWQNUSA-N -1 1 370.409 0.233 10 0 FCAEMM NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1 ZINC001115863006 1221322032 /nfs/dbraw/zinc/32/20/32/1221322032.db2.gz MEKIBAXTBYTRTI-UHFFFAOYSA-N -1 1 374.378 0.643 10 0 FCAEMM O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1ccc2n[n-]c(=S)n2c1 ZINC001137989358 1222465884 /nfs/dbraw/zinc/46/58/84/1222465884.db2.gz ACRQAIZOHZUASW-ZDUSSCGKSA-N -1 1 372.406 0.852 10 0 FCAEMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnncc1[O-] ZINC001138084901 1222478981 /nfs/dbraw/zinc/47/89/81/1222478981.db2.gz NTRQTFJPMHYBNP-OAHLLOKOSA-N -1 1 356.382 0.382 10 0 FCAEMM COCCOc1cccc(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001138986501 1222533435 /nfs/dbraw/zinc/53/34/35/1222533435.db2.gz DDKRTVBBTNXPMJ-UHFFFAOYSA-N -1 1 361.402 0.278 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000843257247 1222866933 /nfs/dbraw/zinc/86/69/33/1222866933.db2.gz MGWGQQUGHWPVFG-WCQYABFASA-N -1 1 371.397 0.657 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000843257247 1222866934 /nfs/dbraw/zinc/86/69/34/1222866934.db2.gz MGWGQQUGHWPVFG-WCQYABFASA-N -1 1 371.397 0.657 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)n[n-]1 ZINC001166125990 1223267775 /nfs/dbraw/zinc/26/77/75/1223267775.db2.gz FPKMJOVFCDELAI-UWVGGRQHSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[n-]1 ZINC001166125990 1223267780 /nfs/dbraw/zinc/26/77/80/1223267780.db2.gz FPKMJOVFCDELAI-UWVGGRQHSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)n1 ZINC001166125990 1223267781 /nfs/dbraw/zinc/26/77/81/1223267781.db2.gz FPKMJOVFCDELAI-UWVGGRQHSA-N -1 1 362.390 0.630 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000847076427 1245329999 /nfs/dbraw/zinc/32/99/99/1245329999.db2.gz CTTYRBMTAGXYRZ-QMAVJUDZSA-N -1 1 357.370 0.949 10 0 FCAEMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000940831665 1246394158 /nfs/dbraw/zinc/39/41/58/1246394158.db2.gz IJBHPOZRWPQIFO-CHWSQXEVSA-N -1 1 355.398 0.989 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@@H](C)COC ZINC001515229215 1265470836 /nfs/dbraw/zinc/47/08/36/1265470836.db2.gz XKXWHQMFWSTZMO-GZBFAFLISA-N -1 1 365.430 0.663 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001515293018 1265493766 /nfs/dbraw/zinc/49/37/66/1265493766.db2.gz VKXDITZOBZSOGZ-NEPJUHHUSA-N -1 1 362.430 0.656 10 0 FCAEMM c1csc(Cn2c(Cc3nnn[n-]3)nnc2N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001518629721 1265671240 /nfs/dbraw/zinc/67/12/40/1265671240.db2.gz LEVZQDHTCMJXOI-PHIMTYICSA-N -1 1 358.431 0.859 10 0 FCAEMM c1csc(Cn2c(Cc3nn[n-]n3)nnc2N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001518629721 1265671247 /nfs/dbraw/zinc/67/12/47/1265671247.db2.gz LEVZQDHTCMJXOI-PHIMTYICSA-N -1 1 358.431 0.859 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)OC)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001519702862 1265754713 /nfs/dbraw/zinc/75/47/13/1265754713.db2.gz IBGGTVOYHMDKNE-KXUCPTDWSA-N -1 1 368.390 0.041 10 0 FCAEMM CSC1CCN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)CC1 ZINC001519771713 1265769975 /nfs/dbraw/zinc/76/99/75/1265769975.db2.gz NMNZPBFYRZGKOF-SNVBAGLBSA-N -1 1 350.452 0.827 10 0 FCAEMM CSC1CCN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)CC1 ZINC001519771713 1265769982 /nfs/dbraw/zinc/76/99/82/1265769982.db2.gz NMNZPBFYRZGKOF-SNVBAGLBSA-N -1 1 350.452 0.827 10 0 FCAEMM O=C([O-])c1ccccc1CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001520198947 1265876935 /nfs/dbraw/zinc/87/69/35/1265876935.db2.gz GJWGJWCESNOQIE-HNAYVOBHSA-N -1 1 362.426 0.659 10 0 FCAEMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001520594143 1265943385 /nfs/dbraw/zinc/94/33/85/1265943385.db2.gz JLBHFBPQDNRCEY-YOEHRIQHSA-N -1 1 368.441 0.954 10 0 FCAEMM Cc1nc(C)n(CCCC(=O)N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2C)n1 ZINC001520858455 1266023197 /nfs/dbraw/zinc/02/31/97/1266023197.db2.gz LINYTTYOHTVFPD-MFKMUULPSA-N -1 1 360.422 0.213 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@H]1COCCO1 ZINC001521970346 1266266074 /nfs/dbraw/zinc/26/60/74/1266266074.db2.gz CKDYVHPXTZZFBC-UMVBOHGHSA-N -1 1 363.414 0.417 10 0 FCAEMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254487966 1259886738 /nfs/dbraw/zinc/88/67/38/1259886738.db2.gz FYRBSNBJOHTDLI-JTQLQIEISA-N -1 1 365.434 0.700 10 0 FCAEMM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264718818 1260401185 /nfs/dbraw/zinc/40/11/85/1260401185.db2.gz BJQXWXNJKSSSDX-BZPMIXESSA-N -1 1 360.418 0.050 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@]2(CCOC2)C1 ZINC001338164084 1260576361 /nfs/dbraw/zinc/57/63/61/1260576361.db2.gz PYBDVTMHZWEPKD-LJQANCHMSA-N -1 1 370.409 0.701 10 0 FCAEMM O=C(CCn1cncn1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001282114562 1261343042 /nfs/dbraw/zinc/34/30/42/1261343042.db2.gz ZDJDIRSCEQQVHM-QWHCGFSZSA-N -1 1 358.402 0.484 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282159418 1261360796 /nfs/dbraw/zinc/36/07/96/1261360796.db2.gz MARLIDUKOUYBAR-MJBXVCDLSA-N -1 1 362.430 0.717 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001472001806 1261424287 /nfs/dbraw/zinc/42/42/87/1261424287.db2.gz GXQZHTQLBRVKNG-LLVKDONJSA-N -1 1 367.427 0.133 10 0 FCAEMM CC[C@H](C)CC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001282367105 1261430435 /nfs/dbraw/zinc/43/04/35/1261430435.db2.gz BNCWBDJIULTKDB-MJBXVCDLSA-N -1 1 364.446 0.469 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@@H](NC(N)=O)C(C)C)CCCC2)[n-]c1=O ZINC001472112641 1261438701 /nfs/dbraw/zinc/43/87/01/1261438701.db2.gz UQSVUCMIEQOSJX-NSHDSACASA-N -1 1 351.407 0.769 10 0 FCAEMM COC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC001472617025 1261479346 /nfs/dbraw/zinc/47/93/46/1261479346.db2.gz MTCLSELCNWRKAQ-LBPRGKRZSA-N -1 1 361.402 0.941 10 0 FCAEMM CC(=O)NCC(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001282576265 1261537942 /nfs/dbraw/zinc/53/79/42/1261537942.db2.gz MFENOAUMERWKLV-RDTXWAMCSA-N -1 1 360.414 0.424 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001283964877 1261724817 /nfs/dbraw/zinc/72/48/17/1261724817.db2.gz SDWXHRRPHCLBTN-IEBDPFPHSA-N -1 1 364.402 0.567 10 0 FCAEMM O=C(CCCn1cccc1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001289084712 1262099305 /nfs/dbraw/zinc/09/93/05/1262099305.db2.gz KEAUGFGWJYIVFL-UKRRQHHQSA-N -1 1 358.398 0.371 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)C[C@H](C)OC)[C@H]1C ZINC001290594768 1262472507 /nfs/dbraw/zinc/47/25/07/1262472507.db2.gz WXGXSKVXOFXQBH-AEJSXWLSSA-N -1 1 368.390 0.041 10 0 FCAEMM C/C(=C/C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)CN1CCOCC1 ZINC001293574438 1262719405 /nfs/dbraw/zinc/71/94/05/1262719405.db2.gz JXVBQLNKBSTMFF-RAXLEYEMSA-N -1 1 358.402 0.996 10 0 FCAEMM Cn1cc(-n2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)ccc2=O)cn1 ZINC001296795719 1262837419 /nfs/dbraw/zinc/83/74/19/1262837419.db2.gz OTPKUQZKLBNARG-NSHDSACASA-N -1 1 354.374 0.104 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C(C)C ZINC001297987417 1262903206 /nfs/dbraw/zinc/90/32/06/1262903206.db2.gz FYJGUSDXYUYMGZ-MGPQQGTHSA-N -1 1 364.446 0.230 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001298651103 1262935383 /nfs/dbraw/zinc/93/53/83/1262935383.db2.gz ZJODAYOUWLENOK-JHJVBQTASA-N -1 1 364.446 0.230 10 0 FCAEMM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001302758938 1263056797 /nfs/dbraw/zinc/05/67/97/1263056797.db2.gz BMFJNCVDRGXRCK-UHFFFAOYSA-N -1 1 361.406 0.908 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(O[C@H]2CCOC2)c1 ZINC001302842005 1263061298 /nfs/dbraw/zinc/06/12/98/1263061298.db2.gz FVMXIMCOPLRMNW-LBPRGKRZSA-N -1 1 372.381 0.748 10 0 FCAEMM COCCOC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001479155969 1263172842 /nfs/dbraw/zinc/17/28/42/1263172842.db2.gz FXTVCYUOGAOSGP-UHFFFAOYSA-N -1 1 366.418 0.592 10 0 FCAEMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479159250 1263173868 /nfs/dbraw/zinc/17/38/68/1263173868.db2.gz YFELZOPPOVQUTA-GMTAPVOTSA-N -1 1 363.418 0.404 10 0 FCAEMM CCCCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC ZINC001479631322 1263277538 /nfs/dbraw/zinc/27/75/38/1263277538.db2.gz LVLARRKTWDTIBF-MELADBBJSA-N -1 1 353.467 0.783 10 0 FCAEMM O=C([O-])c1cccc(N2C(=O)C[C@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)c1 ZINC001321393845 1263951413 /nfs/dbraw/zinc/95/14/13/1263951413.db2.gz UBPARPXGYBURHE-SCLBCKFNSA-N -1 1 357.366 0.229 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCN1CCCC1=O ZINC001321803182 1264066741 /nfs/dbraw/zinc/06/67/41/1264066741.db2.gz JDPOMYQNYQGMHV-UHFFFAOYSA-N -1 1 369.425 0.812 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N2CC[C@@H](CC(N)=O)C2)C1=O ZINC001322874644 1264285434 /nfs/dbraw/zinc/28/54/34/1264285434.db2.gz ANHKFNPPRRERLX-FZMZJTMJSA-N -1 1 359.382 0.522 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001507027311 1264350784 /nfs/dbraw/zinc/35/07/84/1264350784.db2.gz IQSBWPPGVWORRA-JHJVBQTASA-N -1 1 359.434 0.374 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1cncn1C ZINC001513272780 1265010355 /nfs/dbraw/zinc/01/03/55/1265010355.db2.gz HXKZXBCCPLSLJH-TZMCWYRMSA-N -1 1 357.414 0.730 10 0 FCAEMM CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC001327481761 1265337095 /nfs/dbraw/zinc/33/70/95/1265337095.db2.gz ZJUDPVSOWXBKJU-LLVKDONJSA-N -1 1 364.402 0.495 10 0 FCAEMM O=C(NCC1CC1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001514362334 1265342475 /nfs/dbraw/zinc/34/24/75/1265342475.db2.gz LPSCLCQYBCDMGD-CHWSQXEVSA-N -1 1 360.414 0.471 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccnc(N(C)C)c3C2)o1 ZINC001522440756 1266556216 /nfs/dbraw/zinc/55/62/16/1266556216.db2.gz RWNKVZMAPPASTE-UHFFFAOYSA-N -1 1 364.427 0.847 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@H](C)[S@@](C)=O ZINC001333519748 1266622359 /nfs/dbraw/zinc/62/23/59/1266622359.db2.gz CLUONGOYGSTPJQ-JPQMIFPKSA-N -1 1 362.455 0.956 10 0 FCAEMM Cn1cc(N2C[C@H](C(=O)N=c3ccnc4n(C)[n-]cc3-4)CCC2=O)cn1 ZINC001524484749 1266710523 /nfs/dbraw/zinc/71/05/23/1266710523.db2.gz MNUVAEJUYUDXLH-LLVKDONJSA-N -1 1 353.386 0.457 10 0 FCAEMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCOC1 ZINC001526305786 1266799467 /nfs/dbraw/zinc/79/94/67/1266799467.db2.gz WWEWBIVLHUQEKX-VWYCJHECSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001526305786 1266799474 /nfs/dbraw/zinc/79/94/74/1266799474.db2.gz WWEWBIVLHUQEKX-VWYCJHECSA-N -1 1 350.452 0.825 10 0 FCAEMM CO[C@@H]1CN(C(=O)C2CCC(N3CCOCC3)CC2)[C@](C)(C(=O)[O-])C1 ZINC001334204728 1266880974 /nfs/dbraw/zinc/88/09/74/1266880974.db2.gz FDKXFFGLGCPHSH-GULCKSEBSA-N -1 1 354.447 0.968 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)N2CCC(c3nn[n-]n3)CC2)CC1 ZINC001334259415 1266914334 /nfs/dbraw/zinc/91/43/34/1266914334.db2.gz CFMOLWSEXOBDRH-UHFFFAOYSA-N -1 1 358.450 0.551 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001528334931 1266962702 /nfs/dbraw/zinc/96/27/02/1266962702.db2.gz VXIRCCJHMLKMCV-NXEZZACHSA-N -1 1 370.369 0.643 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)[n-]1 ZINC001534728190 1267269971 /nfs/dbraw/zinc/26/99/71/1267269971.db2.gz NBAJVUWSVHUCIK-NZXMKCKXSA-N -1 1 352.343 0.909 10 0 FCAEMM COc1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1OCC(N)=O ZINC001542579069 1267499792 /nfs/dbraw/zinc/49/97/92/1267499792.db2.gz YJNDVLHIBSXJPZ-UHFFFAOYSA-N -1 1 364.383 0.904 10 0 FCAEMM NC(=O)CCNC(=O)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001542868432 1267510185 /nfs/dbraw/zinc/51/01/85/1267510185.db2.gz XBAXAUHQLPYAKD-UHFFFAOYSA-N -1 1 355.350 0.819 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC[C@@H](CCC(=O)OC)O3)nc2n1 ZINC001543196558 1267532073 /nfs/dbraw/zinc/53/20/73/1267532073.db2.gz VYYHHLJZXQPALE-WDEREUQCSA-N -1 1 363.374 0.419 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCN1CCOC1=O ZINC001338502363 1267962534 /nfs/dbraw/zinc/96/25/34/1267962534.db2.gz ZUTXPDCNMRNPIO-UHFFFAOYSA-N -1 1 371.397 0.641 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001339007432 1268146762 /nfs/dbraw/zinc/14/67/62/1268146762.db2.gz YXPPFHPEKRLGFO-OWCLPIDISA-N -1 1 368.478 0.336 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001339949596 1268383461 /nfs/dbraw/zinc/38/34/61/1268383461.db2.gz DRQIXRBJMNXXEB-NXEZZACHSA-N -1 1 374.488 0.660 10 0 FCAEMM C[C@@]1(CC(=O)Nc2nc(Br)ccc2[O-])CCS(=O)(=O)N1 ZINC001556251653 1268839489 /nfs/dbraw/zinc/83/94/89/1268839489.db2.gz PVONMYMEXSAHKJ-NSHDSACASA-N -1 1 364.221 0.960 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC001556567459 1268867996 /nfs/dbraw/zinc/86/79/96/1268867996.db2.gz XJCWHIJLBJCLRP-UWVGGRQHSA-N -1 1 361.320 0.536 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001557457112 1268949083 /nfs/dbraw/zinc/94/90/83/1268949083.db2.gz XWXSXWDZLGUUHZ-VHSXEESVSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001557457112 1268949088 /nfs/dbraw/zinc/94/90/88/1268949088.db2.gz XWXSXWDZLGUUHZ-VHSXEESVSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001557457112 1268949094 /nfs/dbraw/zinc/94/90/94/1268949094.db2.gz XWXSXWDZLGUUHZ-VHSXEESVSA-N -1 1 369.447 0.860 10 0 FCAEMM CN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)c1nn[n-]n1 ZINC001557698241 1268968305 /nfs/dbraw/zinc/96/83/05/1268968305.db2.gz VGIAERTWHOWDMV-CQSZACIVSA-N -1 1 356.358 0.138 10 0 FCAEMM O=C(CNC(=O)Cc1cccc(F)c1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558047722 1269012240 /nfs/dbraw/zinc/01/22/40/1269012240.db2.gz AEZKCSKKKABSGT-UHFFFAOYSA-N -1 1 374.372 0.369 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001558347253 1269072629 /nfs/dbraw/zinc/07/26/29/1269072629.db2.gz WYECGCMTYOFVKN-SDDRHHMPSA-N -1 1 350.423 0.894 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H](O)c1c(F)cccc1F ZINC001558358106 1269077624 /nfs/dbraw/zinc/07/76/24/1269077624.db2.gz NTVLVUPUQMKGBX-GFCCVEGCSA-N -1 1 351.309 0.645 10 0 FCAEMM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001558532510 1269106546 /nfs/dbraw/zinc/10/65/46/1269106546.db2.gz PJTWXSPWHZHDPQ-UHFFFAOYSA-N -1 1 372.385 0.084 10 0 FCAEMM CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001558684051 1269131457 /nfs/dbraw/zinc/13/14/57/1269131457.db2.gz UBVDTAMZROVLEK-WCQYABFASA-N -1 1 362.434 0.800 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2nc3ncc(C)cn3n2)[n-]c1=O ZINC001558703221 1269132871 /nfs/dbraw/zinc/13/28/71/1269132871.db2.gz KVAUUENECYLBLH-JTQLQIEISA-N -1 1 355.358 0.914 10 0 FCAEMM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001558848253 1269149873 /nfs/dbraw/zinc/14/98/73/1269149873.db2.gz OZEURQFICOBSIV-UKTARXLSSA-N -1 1 365.430 0.751 10 0 FCAEMM CC(C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001341961724 1269281218 /nfs/dbraw/zinc/28/12/18/1269281218.db2.gz CFLNDDGLWHFUAU-DGCLKSJQSA-N -1 1 360.418 0.431 10 0 FCAEMM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001565167145 1269454133 /nfs/dbraw/zinc/45/41/33/1269454133.db2.gz NFRYHHVXMAARTL-IUCAKERBSA-N -1 1 357.794 0.911 10 0 FCAEMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248613 1269459109 /nfs/dbraw/zinc/45/91/09/1269459109.db2.gz ZNWXYWDEMGHCJU-UWVGGRQHSA-N -1 1 372.447 0.218 10 0 FCAEMM C[C@H](CO)[C@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565247026 1269459380 /nfs/dbraw/zinc/45/93/80/1269459380.db2.gz CBMNPUARUWEQSD-BXUZGUMPSA-N -1 1 350.419 0.947 10 0 FCAEMM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248590 1269459610 /nfs/dbraw/zinc/45/96/10/1269459610.db2.gz ZAPLOYGDFMQQSB-FZMZJTMJSA-N -1 1 350.419 0.947 10 0 FCAEMM CN1C(=O)NC2(CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)C1=O ZINC001565886953 1269505214 /nfs/dbraw/zinc/50/52/14/1269505214.db2.gz XDXKRWSLLJMANG-UHFFFAOYSA-N -1 1 360.399 0.174 10 0 FCAEMM CCC[C@H](OCC)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC ZINC001566020439 1269557881 /nfs/dbraw/zinc/55/78/81/1269557881.db2.gz JTZNCIQSJGYAQW-MJBXVCDLSA-N -1 1 353.467 0.783 10 0 FCAEMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)C1=C2CCCN=C2NN1 ZINC001566853309 1269665487 /nfs/dbraw/zinc/66/54/87/1269665487.db2.gz AJMSNCORZZBDQT-UHFFFAOYSA-N -1 1 353.379 0.690 10 0 FCAEMM Cc1c2ccccc2c(=O)oc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001568081922 1269718505 /nfs/dbraw/zinc/71/85/05/1269718505.db2.gz XUYOPGBCDMNTBC-UHFFFAOYSA-N -1 1 355.354 0.738 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001569165440 1269768664 /nfs/dbraw/zinc/76/86/64/1269768664.db2.gz ZFYDGPXLESRRRK-AWEZNQCLSA-N -1 1 357.457 0.820 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1c(F)cccc1-n1cccn1 ZINC001569175719 1269768747 /nfs/dbraw/zinc/76/87/47/1269768747.db2.gz XPUXACJGDYKHEQ-UHFFFAOYSA-N -1 1 357.345 0.568 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1nnc(C2CCOCC2)s1 ZINC001569776463 1269807191 /nfs/dbraw/zinc/80/71/91/1269807191.db2.gz MGROVVXVZLBEQH-UHFFFAOYSA-N -1 1 363.399 0.901 10 0 FCAEMM NC(=O)c1cn(CCCCNC(=O)c2ncc3ccccc3c2[O-])nn1 ZINC001570284006 1269863246 /nfs/dbraw/zinc/86/32/46/1269863246.db2.gz PNOIMLYSLPCITA-UHFFFAOYSA-N -1 1 354.370 0.841 10 0 FCAEMM CNC(=O)[C@H](CNC(=O)CCc1nn[n-]n1)Cc1ccc(OC)c(F)c1 ZINC001570689644 1269906129 /nfs/dbraw/zinc/90/61/29/1269906129.db2.gz FBAAKSMJPUXNLB-NSHDSACASA-N -1 1 364.381 0.001 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001344025825 1270077924 /nfs/dbraw/zinc/07/79/24/1270077924.db2.gz ZWIVLMPCOFUITC-MGPQQGTHSA-N -1 1 364.446 0.516 10 0 FCAEMM Cc1nnc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)[nH]1 ZINC001344272259 1270124799 /nfs/dbraw/zinc/12/47/99/1270124799.db2.gz UQCLYZMVJBDCTF-NWDGAFQWSA-N -1 1 358.402 0.471 10 0 FCAEMM Cc1nc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n[nH]1 ZINC001344272259 1270124807 /nfs/dbraw/zinc/12/48/07/1270124807.db2.gz UQCLYZMVJBDCTF-NWDGAFQWSA-N -1 1 358.402 0.471 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCN1CCCC1=O ZINC001572893058 1270308054 /nfs/dbraw/zinc/30/80/54/1270308054.db2.gz XDZGUIBMPPZNMR-CHWSQXEVSA-N -1 1 360.414 0.376 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCn1cccc1 ZINC001572966286 1270423345 /nfs/dbraw/zinc/42/33/45/1270423345.db2.gz VIMLWXWEPDKIBB-UKRRQHHQSA-N -1 1 358.398 0.635 10 0 FCAEMM C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001573033504 1270547919 /nfs/dbraw/zinc/54/79/19/1270547919.db2.gz VTMKSZZFYNORDB-BJJXKVORSA-N -1 1 371.393 0.556 10 0 FCAEMM Cc1n[nH]c(C(=O)NCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)c1[O-] ZINC001573968280 1270963720 /nfs/dbraw/zinc/96/37/20/1270963720.db2.gz MYUQARNTQVLSRD-TZMCWYRMSA-N -1 1 363.462 0.734 10 0 FCAEMM CC(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001574017123 1270996491 /nfs/dbraw/zinc/99/64/91/1270996491.db2.gz DMQZSBSGSKFSAL-ZIAGYGMSSA-N -1 1 364.446 0.184 10 0 FCAEMM Cc1nn[nH]c1C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001574027224 1271004875 /nfs/dbraw/zinc/00/48/75/1271004875.db2.gz SKUOUFDQRISUIG-ZYHUDNBSSA-N -1 1 358.402 0.742 10 0 FCAEMM O=C(NCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001574569978 1271370829 /nfs/dbraw/zinc/37/08/29/1271370829.db2.gz KYWRGDAQKJBPGU-UPJWGTAASA-N -1 1 358.398 0.175 10 0 FCAEMM CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001574610864 1271416869 /nfs/dbraw/zinc/41/68/69/1271416869.db2.gz UDIXUDFTKDHHOJ-GTNSWQLSSA-N -1 1 358.402 0.329 10 0 FCAEMM CCCN(CCNC(=O)[C@@H]1C[C@H]1CC)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001581424390 1279924728 /nfs/dbraw/zinc/92/47/28/1279924728.db2.gz QSAIIIDPDOIQAF-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1CCC2)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001718574433 1287522087 /nfs/dbraw/zinc/52/20/87/1287522087.db2.gz OVBMDYYIYZLDLT-CZIZLABSSA-N -1 1 358.402 0.185 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001583845018 1282117887 /nfs/dbraw/zinc/11/78/87/1282117887.db2.gz RTLYAHHRZPHEHF-OPRDCNLKSA-N -1 1 366.418 0.813 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC001584098787 1282134027 /nfs/dbraw/zinc/13/40/27/1282134027.db2.gz JSXGJOBNONLJSL-UHFFFAOYSA-N -1 1 372.838 0.271 10 0 FCAEMM O=C(c1cccc([O-])c1F)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001632554115 1282185707 /nfs/dbraw/zinc/18/57/07/1282185707.db2.gz WPYNRMCFXRZFEP-GFCCVEGCSA-N -1 1 372.418 0.798 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001632593555 1282189505 /nfs/dbraw/zinc/18/95/05/1282189505.db2.gz SJGHEZZBBMNGCT-VIFPVBQESA-N -1 1 352.148 0.360 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCC(c2nn[n-]n2)CC1 ZINC001632652500 1282195607 /nfs/dbraw/zinc/19/56/07/1282195607.db2.gz XUFMAHRZLUBMQV-RQOWECAXSA-N -1 1 354.370 0.950 10 0 FCAEMM COc1ccc(C(=O)NCCCC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001585946545 1282258168 /nfs/dbraw/zinc/25/81/68/1282258168.db2.gz SXKUXFBPAVKXIK-UHFFFAOYSA-N -1 1 360.370 0.723 10 0 FCAEMM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001633680689 1282266713 /nfs/dbraw/zinc/26/67/13/1282266713.db2.gz XZGMQOORLSAAQT-SNVBAGLBSA-N -1 1 350.452 1.000 10 0 FCAEMM Cn1cc(N2C[C@H](C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)CCC2=O)cn1 ZINC001633714894 1282269597 /nfs/dbraw/zinc/26/95/97/1282269597.db2.gz DJAIQPUFNRSGIJ-VXGBXAGGSA-N -1 1 374.401 0.658 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)oc1Br ZINC001633895470 1282282088 /nfs/dbraw/zinc/28/20/88/1282282088.db2.gz FUWBNPXMUAFLGZ-UHFFFAOYSA-N -1 1 356.180 0.987 10 0 FCAEMM CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895769 1282282334 /nfs/dbraw/zinc/28/23/34/1282282334.db2.gz QHEAWAYFWQJAMS-LLVKDONJSA-N -1 1 353.423 0.624 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1 ZINC001633895734 1282282479 /nfs/dbraw/zinc/28/24/79/1282282479.db2.gz PKAFWYRBWCSEEX-UHFFFAOYSA-N -1 1 366.422 0.457 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)n[n-]1 ZINC001634277023 1282314631 /nfs/dbraw/zinc/31/46/31/1282314631.db2.gz OMTACOSWXUHZGR-WDEREUQCSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)[n-]1 ZINC001634277023 1282314640 /nfs/dbraw/zinc/31/46/40/1282314640.db2.gz OMTACOSWXUHZGR-WDEREUQCSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)n1 ZINC001634277023 1282314647 /nfs/dbraw/zinc/31/46/47/1282314647.db2.gz OMTACOSWXUHZGR-WDEREUQCSA-N -1 1 351.407 0.711 10 0 FCAEMM COC[C@@H](NC(=O)c1cn2ccc(Br)cc2n1)c1nn[n-]n1 ZINC001634621541 1282339859 /nfs/dbraw/zinc/33/98/59/1282339859.db2.gz HRKDAHOHQAHDQA-SECBINFHSA-N -1 1 366.179 0.727 10 0 FCAEMM COc1ccc(CN2CC[C@H]2C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001635007456 1282372698 /nfs/dbraw/zinc/37/26/98/1282372698.db2.gz HXSMLIOSGFKGCN-HNNXBMFYSA-N -1 1 372.429 0.293 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cnncc3[O-])C2=O)c1 ZINC001587698697 1282373007 /nfs/dbraw/zinc/37/30/07/1282373007.db2.gz LUUGILPEQIBKHY-CQSZACIVSA-N -1 1 358.354 0.735 10 0 FCAEMM Nc1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1OC(F)(F)F ZINC001635091491 1282378161 /nfs/dbraw/zinc/37/81/61/1282378161.db2.gz YMDZULQQHRKRRP-VIFPVBQESA-N -1 1 358.280 0.894 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001587906139 1282387880 /nfs/dbraw/zinc/38/78/80/1282387880.db2.gz FDOLSMVLBGQFMT-KBPBESRZSA-N -1 1 362.430 0.277 10 0 FCAEMM CCOCCOCCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001635655855 1282422117 /nfs/dbraw/zinc/42/21/17/1282422117.db2.gz OBNGDMKNBDVPTD-UHFFFAOYSA-N -1 1 360.414 0.852 10 0 FCAEMM COc1cnc(C2(NC(=O)Cn3cc([C@H](C)O)nn3)CCCC2)[n-]c1=O ZINC001636117218 1282461376 /nfs/dbraw/zinc/46/13/76/1282461376.db2.gz UVDJHIPWIVPXPQ-JTQLQIEISA-N -1 1 362.390 0.421 10 0 FCAEMM CC(=O)N1C[C@H](C(=O)N(Cc2nn[n-]n2)CC(C)C)Oc2ccccc21 ZINC001637054864 1282555390 /nfs/dbraw/zinc/55/53/90/1282555390.db2.gz VKOGQURQASNSPD-OAHLLOKOSA-N -1 1 358.402 0.998 10 0 FCAEMM Cc1conc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637881913 1282630990 /nfs/dbraw/zinc/63/09/90/1282630990.db2.gz YAOJEOXIPRQMFH-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM Cn1nnnc1CNC(=O)c1ccc(I)cc1[O-] ZINC001639116950 1282749081 /nfs/dbraw/zinc/74/90/81/1282749081.db2.gz SQHXAIPVRACNAV-UHFFFAOYSA-N -1 1 359.127 0.450 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CNC(=O)c2ccncc2)[n-]c1=O ZINC001640132490 1282841401 /nfs/dbraw/zinc/84/14/01/1282841401.db2.gz PNXYEXSIYUBWNT-GFCCVEGCSA-N -1 1 357.370 0.679 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cncc([O-])c1)CCS2(=O)=O ZINC001640208023 1282845621 /nfs/dbraw/zinc/84/56/21/1282845621.db2.gz GQTHZVHRTVPSHV-BGMSHATGSA-N -1 1 368.411 0.416 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680834328 1283452531 /nfs/dbraw/zinc/45/25/31/1283452531.db2.gz MYMCIKTUDLFBOK-IOASZLSFSA-N -1 1 363.414 0.151 10 0 FCAEMM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001683064029 1283854205 /nfs/dbraw/zinc/85/42/05/1283854205.db2.gz SIQZEVMZVNNIPC-UMVBOHGHSA-N -1 1 371.441 0.976 10 0 FCAEMM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001683064028 1283854693 /nfs/dbraw/zinc/85/46/93/1283854693.db2.gz SIQZEVMZVNNIPC-GZBFAFLISA-N -1 1 371.441 0.976 10 0 FCAEMM CNC(=O)CC(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001702865330 1285955414 /nfs/dbraw/zinc/95/54/14/1285955414.db2.gz GLSSTPIFYVHKBO-FZKQIMNGSA-N -1 1 360.414 0.424 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001702929578 1286006841 /nfs/dbraw/zinc/00/68/41/1286006841.db2.gz XWTSJCGDEDTGEA-AGIUHOORSA-N -1 1 360.414 0.564 10 0 FCAEMM CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001703000211 1286046281 /nfs/dbraw/zinc/04/62/81/1286046281.db2.gz XJLLJLAWKZWDBJ-MXWKQRLJSA-N -1 1 364.402 0.948 10 0 FCAEMM O=C(NCCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cc(=O)n2[n-]cnc2n1 ZINC001703377910 1286102445 /nfs/dbraw/zinc/10/24/45/1286102445.db2.gz MRQZCXHRTOMCML-FRRDWIJNSA-N -1 1 370.413 0.256 10 0 FCAEMM CCOC(=O)N[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])CC(C)C ZINC001595581934 1286254158 /nfs/dbraw/zinc/25/41/58/1286254158.db2.gz MKPQRTMOPQGHBD-LBPRGKRZSA-N -1 1 366.418 0.794 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1nn[n-]n1 ZINC001595889596 1286268273 /nfs/dbraw/zinc/26/82/73/1286268273.db2.gz SVVUVBAEFKXRBK-NEPJUHHUSA-N -1 1 363.399 0.725 10 0 FCAEMM COC[C@H](NC(=O)c1cncc2nc(C(F)(F)F)n(C)c21)c1nn[n-]n1 ZINC001595889604 1286268522 /nfs/dbraw/zinc/26/85/22/1286268522.db2.gz TUYPJVWBYCPPIH-QMMMGPOBSA-N -1 1 370.295 0.618 10 0 FCAEMM O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595941091 1286273223 /nfs/dbraw/zinc/27/32/23/1286273223.db2.gz JISDIEPMGLJLBC-HNNXBMFYSA-N -1 1 356.430 0.730 10 0 FCAEMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001596510288 1286304378 /nfs/dbraw/zinc/30/43/78/1286304378.db2.gz HCYIZAWLLJFGSU-VXGBXAGGSA-N -1 1 366.418 0.298 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])O2 ZINC001596518123 1286305835 /nfs/dbraw/zinc/30/58/35/1286305835.db2.gz MTDCAXAEKNJRFX-OVSNFEJUSA-N -1 1 363.414 0.606 10 0 FCAEMM CC[C@H](NC(=O)CCc1nn[n-]n1)c1ccccc1OCC(=O)N(C)C ZINC001596599455 1286308996 /nfs/dbraw/zinc/30/89/96/1286308996.db2.gz ZUNFAGFOBLVOMR-ZDUSSCGKSA-N -1 1 360.418 0.867 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001704947442 1286333589 /nfs/dbraw/zinc/33/35/89/1286333589.db2.gz MUJDLIAHWZMZHP-FRRDWIJNSA-N -1 1 364.446 0.867 10 0 FCAEMM COC(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597370919 1286340470 /nfs/dbraw/zinc/34/04/70/1286340470.db2.gz DGEINMKDFJMNKT-UHFFFAOYSA-N -1 1 357.388 0.470 10 0 FCAEMM NC(=O)C1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CCS(=O)(=O)CC1 ZINC001597508631 1286347190 /nfs/dbraw/zinc/34/71/90/1286347190.db2.gz BZLVRRJGIDKOBP-UHFFFAOYSA-N -1 1 364.345 0.466 10 0 FCAEMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001597925182 1286370841 /nfs/dbraw/zinc/37/08/41/1286370841.db2.gz FZVYQIBKPONPFZ-LBPRGKRZSA-N -1 1 363.414 0.955 10 0 FCAEMM COC(=O)[C@@H](Cn1cncn1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC001597957090 1286371559 /nfs/dbraw/zinc/37/15/59/1286371559.db2.gz IBJGOUJZYYBRCR-SNVBAGLBSA-N -1 1 362.390 0.351 10 0 FCAEMM O=C(CO[C@@H]1CCOC1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001719444479 1288118591 /nfs/dbraw/zinc/11/85/91/1288118591.db2.gz CJFKQMNBPXTQBS-BFHYXJOUSA-N -1 1 363.414 0.607 10 0 FCAEMM CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001719555605 1288179235 /nfs/dbraw/zinc/17/92/35/1288179235.db2.gz XCCBWGVJAJEELV-LPEHRKFASA-N -1 1 370.381 0.754 10 0 FCAEMM COCCO[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001735703050 1288775488 /nfs/dbraw/zinc/77/54/88/1288775488.db2.gz HSUSLYGKQYKOHQ-MELADBBJSA-N -1 1 363.414 0.512 10 0 FCAEMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001735844050 1288947779 /nfs/dbraw/zinc/94/77/79/1288947779.db2.gz GISHDEBGWSJKMH-PZKZJRIJSA-N -1 1 370.413 0.517 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC(=O)N(C)C ZINC001736261383 1289225677 /nfs/dbraw/zinc/22/56/77/1289225677.db2.gz ZACONLRDQQYMTR-OLZOCXBDSA-N -1 1 362.430 0.765 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@H](n2cccn2)C(F)(F)F)n[n-]1 ZINC001611154033 1289632874 /nfs/dbraw/zinc/63/28/74/1289632874.db2.gz AVJOBSZWLKABDO-QMMMGPOBSA-N -1 1 360.296 0.988 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@H](n2cccn2)C(F)(F)F)n1 ZINC001611154033 1289632877 /nfs/dbraw/zinc/63/28/77/1289632877.db2.gz AVJOBSZWLKABDO-QMMMGPOBSA-N -1 1 360.296 0.988 10 0 FCAEMM O=C(CN1C(=O)CCC1=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001611201410 1289637136 /nfs/dbraw/zinc/63/71/36/1289637136.db2.gz XIMWYARKHPIMJK-CYBMUJFWSA-N -1 1 366.740 0.347 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1ncccc1[O-] ZINC001701232890 1289641123 /nfs/dbraw/zinc/64/11/23/1289641123.db2.gz ASRUSNVVMPOFBI-YNEHKIRRSA-N -1 1 357.414 0.901 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCN3CCNC(=O)C3)c2)o1 ZINC001611414318 1289647504 /nfs/dbraw/zinc/64/75/04/1289647504.db2.gz GFAHSHUJCVYLAC-UHFFFAOYSA-N -1 1 357.366 0.626 10 0 FCAEMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001702038409 1289721753 /nfs/dbraw/zinc/72/17/53/1289721753.db2.gz JUGXNMZVVQOCOK-UPJWGTAASA-N -1 1 362.430 0.656 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C[C@@H]1c1ccccc1 ZINC001616141963 1289768277 /nfs/dbraw/zinc/76/82/77/1289768277.db2.gz GGWMUBSTDXBAEB-PBFPGSCMSA-N -1 1 357.370 0.447 10 0 FCAEMM Nc1c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cccc1C(F)(F)F ZINC001617702804 1289857745 /nfs/dbraw/zinc/85/77/45/1289857745.db2.gz DRNDARVDJHRDHN-UHFFFAOYSA-N -1 1 356.308 0.925 10 0 FCAEMM C[C@@H]1CO[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC001624543701 1290278978 /nfs/dbraw/zinc/27/89/78/1290278978.db2.gz YFBHKLFMUMRAOA-XHDPSFHLSA-N -1 1 370.427 0.777 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)NC(=O)OC(C)(C)C ZINC001624730991 1290291417 /nfs/dbraw/zinc/29/14/17/1290291417.db2.gz QPJIFAXTERCTGX-GHMZBOCLSA-N -1 1 366.418 0.935 10 0 FCAEMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739650307 1290298496 /nfs/dbraw/zinc/29/84/96/1290298496.db2.gz SHZQSASDXZYTRJ-LNSITVRQSA-N -1 1 359.382 0.561 10 0 FCAEMM C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001624942382 1290308175 /nfs/dbraw/zinc/30/81/75/1290308175.db2.gz KTNHWJMLIKEABI-LLVKDONJSA-N -1 1 358.402 0.667 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCSC[C@H]1c1nn[n-]n1 ZINC001625611613 1290354115 /nfs/dbraw/zinc/35/41/15/1290354115.db2.gz OAIGTJIJVSEKEZ-ZETCQYMHSA-N -1 1 371.220 0.993 10 0 FCAEMM COCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739687857 1290360897 /nfs/dbraw/zinc/36/08/97/1290360897.db2.gz VSYJANHZCJHQBZ-SCRDCRAPSA-N -1 1 351.403 0.151 10 0 FCAEMM CCO[C@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])[C@@H]1CCOC1 ZINC001625730268 1290361691 /nfs/dbraw/zinc/36/16/91/1290361691.db2.gz OHWRSGMECXKTPD-YGRLFVJLSA-N -1 1 358.416 0.680 10 0 FCAEMM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001626578581 1290404142 /nfs/dbraw/zinc/40/41/42/1290404142.db2.gz MKKLBQREOWUEGT-YPMHNXCESA-N -1 1 351.403 0.546 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC001627291875 1290452665 /nfs/dbraw/zinc/45/26/65/1290452665.db2.gz OQSWZTVBQKJKLI-CQSZACIVSA-N -1 1 361.320 0.823 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 ZINC001627518198 1290468646 /nfs/dbraw/zinc/46/86/46/1290468646.db2.gz QTKWAWCVUMBJIU-LBPRGKRZSA-N -1 1 355.416 0.301 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CNC(=O)C(C)(C)C ZINC001740067586 1290477594 /nfs/dbraw/zinc/47/75/94/1290477594.db2.gz QFQPKPLNGNAQHP-NEPJUHHUSA-N -1 1 362.430 0.669 10 0 FCAEMM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001628106558 1290506902 /nfs/dbraw/zinc/50/69/02/1290506902.db2.gz BKTFDZOZPHQJGK-INIZCTEOSA-N -1 1 354.366 0.128 10 0 FCAEMM CC(=O)N(C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001740346256 1290534994 /nfs/dbraw/zinc/53/49/94/1290534994.db2.gz JOJCWRVNQMXEPU-KFWWJZLASA-N -1 1 374.441 0.907 10 0 FCAEMM Cc1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1S(N)(=O)=O ZINC001628653674 1290548073 /nfs/dbraw/zinc/54/80/73/1290548073.db2.gz MJLBGAGLWUCWGC-UHFFFAOYSA-N -1 1 354.413 0.987 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001628802929 1290556210 /nfs/dbraw/zinc/55/62/10/1290556210.db2.gz GYCKEOLSGITOKE-SECBINFHSA-N -1 1 362.415 0.438 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN(C)C2=O)c1 ZINC001629176593 1290583354 /nfs/dbraw/zinc/58/33/54/1290583354.db2.gz NJXXLJRQGTXCCR-NSHDSACASA-N -1 1 355.416 0.497 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)o1 ZINC001629813128 1290626814 /nfs/dbraw/zinc/62/68/14/1290626814.db2.gz VNABZTJASPWPMP-ZDUSSCGKSA-N -1 1 365.367 0.665 10 0 FCAEMM CN1CCn2ncc(C(=O)[N-]c3nc(C4(C)CC4)ns3)c2S1(=O)=O ZINC001629837107 1290628342 /nfs/dbraw/zinc/62/83/42/1290628342.db2.gz CJCWTYFWMAWHLA-UHFFFAOYSA-N -1 1 368.444 0.673 10 0 FCAEMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001631345953 1290726468 /nfs/dbraw/zinc/72/64/68/1290726468.db2.gz QRJLWCDDVBLIKC-LLVKDONJSA-N -1 1 352.391 0.553 10 0 FCAEMM O=C(CCCOC1CCOCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643243928 1290865720 /nfs/dbraw/zinc/86/57/20/1290865720.db2.gz ATSPGXPCAPIPRF-UHFFFAOYSA-N -1 1 351.403 0.847 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1nc(C(F)(F)F)no1 ZINC001643288464 1290870443 /nfs/dbraw/zinc/87/04/43/1290870443.db2.gz ITGDVKFYSPVHGV-LURJTMIESA-N -1 1 359.264 0.796 10 0 FCAEMM O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001644045778 1290937859 /nfs/dbraw/zinc/93/78/59/1290937859.db2.gz ULOGVJVVTAIKIC-UHFFFAOYSA-N -1 1 368.397 0.869 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001644128017 1290941100 /nfs/dbraw/zinc/94/11/00/1290941100.db2.gz UWUCUJHWRUWRTI-SECBINFHSA-N -1 1 371.415 0.637 10 0 FCAEMM O=C(Cn1cc(-c2ccccc2)nn1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644157026 1290944559 /nfs/dbraw/zinc/94/45/59/1290944559.db2.gz RMIVHQJSUNTOPL-UHFFFAOYSA-N -1 1 366.381 0.830 10 0 FCAEMM C[C@@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)N1CSCCSC1 ZINC001644156022 1290944774 /nfs/dbraw/zinc/94/47/74/1290944774.db2.gz CYSJKSZJTXIDHB-JTQLQIEISA-N -1 1 370.500 0.957 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cccc(C(=O)NC2(c3nn[n-]n3)CCC2)c1=O ZINC001644748519 1290980667 /nfs/dbraw/zinc/98/06/67/1290980667.db2.gz MHTAWFQELGIVIF-UHFFFAOYSA-N -1 1 374.401 0.512 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cn(C)nc2Br)co1 ZINC001644748556 1290980792 /nfs/dbraw/zinc/98/07/92/1290980792.db2.gz NNMLGWCWYQYYCR-UHFFFAOYSA-N -1 1 363.193 0.936 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CNC(=O)CCCc2nn[n-]n2)CCOCC1 ZINC001645507909 1291032080 /nfs/dbraw/zinc/03/20/80/1291032080.db2.gz DCVICZODXDCHPV-UHFFFAOYSA-N -1 1 368.438 0.713 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)c3cccc([O-])c3F)CC2)CCOC1 ZINC001645846908 1291045784 /nfs/dbraw/zinc/04/57/84/1291045784.db2.gz AXHQMRKIKPJQMN-QGZVFWFLSA-N -1 1 352.362 0.621 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2CC(Cl)(Cl)C2)o1 ZINC001646597476 1291068207 /nfs/dbraw/zinc/06/82/07/1291068207.db2.gz WYBUHBIQPIDZRR-UHFFFAOYSA-N -1 1 370.214 0.109 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)[n-]c1=O ZINC001648405400 1291120058 /nfs/dbraw/zinc/12/00/58/1291120058.db2.gz BKOVTXMZNOLVTQ-STQMWFEESA-N -1 1 372.385 0.781 10 0 FCAEMM O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)c1ccc([O-])cc1 ZINC001649086010 1291144581 /nfs/dbraw/zinc/14/45/81/1291144581.db2.gz ARYNCLFCYKBWAC-UHFFFAOYSA-N -1 1 367.361 0.943 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cncc(-n2ccnn2)c1 ZINC001650748627 1291178018 /nfs/dbraw/zinc/17/80/18/1291178018.db2.gz LUKUWAJZGHYTBK-UHFFFAOYSA-N -1 1 353.342 0.161 10 0 FCAEMM CCOC(=O)c1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)nc1 ZINC001650749306 1291178025 /nfs/dbraw/zinc/17/80/25/1291178025.db2.gz UBAOQYXWGZGXQZ-UHFFFAOYSA-N -1 1 358.354 0.757 10 0 FCAEMM C[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001650857595 1291181016 /nfs/dbraw/zinc/18/10/16/1291181016.db2.gz DZOGKHSJLOEVTM-SDDRHHMPSA-N -1 1 368.438 0.380 10 0 FCAEMM COc1cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)ccc1OCC(N)=O ZINC001651180386 1291202104 /nfs/dbraw/zinc/20/21/04/1291202104.db2.gz FBARCEVIXQDXFT-UHFFFAOYSA-N -1 1 362.390 0.371 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC001651180199 1291202781 /nfs/dbraw/zinc/20/27/81/1291202781.db2.gz CEFPOHSUHCVUCX-UHFFFAOYSA-N -1 1 357.374 0.701 10 0 FCAEMM Cc1[nH]nc(I)c1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218848 1291207877 /nfs/dbraw/zinc/20/78/77/1291207877.db2.gz ZWUXPCKROOFFPU-UHFFFAOYSA-N -1 1 373.158 0.645 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC001651218514 1291208766 /nfs/dbraw/zinc/20/87/66/1291208766.db2.gz MNDDNDQMGLMAPR-UHFFFAOYSA-N -1 1 351.370 0.614 10 0 FCAEMM O=C(Cc1ccc(-n2cnnc2)cc1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651874718 1291247244 /nfs/dbraw/zinc/24/72/44/1291247244.db2.gz PYXQRPOLGUHEMJ-CQSZACIVSA-N -1 1 352.402 0.804 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001652450434 1291280028 /nfs/dbraw/zinc/28/00/28/1291280028.db2.gz CYQYFKGONNXNFR-UHFFFAOYSA-N -1 1 367.365 0.603 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@H]1C(=O)OC ZINC001653675636 1291362433 /nfs/dbraw/zinc/36/24/33/1291362433.db2.gz KBLFRLSFNZOXSC-RKDXNWHRSA-N -1 1 369.399 0.247 10 0 FCAEMM Cc1n[nH]c(C(=O)NCCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1[O-] ZINC001679363809 1292302693 /nfs/dbraw/zinc/30/26/93/1292302693.db2.gz OLUSLQVHFKCEJJ-MVWJERBFSA-N -1 1 360.418 0.965 10 0 FCAEMM CC(C)OC[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001684758554 1292328361 /nfs/dbraw/zinc/32/83/61/1292328361.db2.gz ZWKSXGKTHNXCSG-LBPRGKRZSA-N -1 1 366.418 0.590 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CO)c1ccc(F)cc1 ZINC001684869070 1292346400 /nfs/dbraw/zinc/34/64/00/1292346400.db2.gz LABVGQYFHCAOND-CQSZACIVSA-N -1 1 362.361 0.927 10 0 FCAEMM O=C(NCc1nc(C(F)F)no1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869836 1292348431 /nfs/dbraw/zinc/34/84/31/1292348431.db2.gz USDKDRUNWBVYPS-UHFFFAOYSA-N -1 1 356.289 0.575 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC1CC(CC(N)=O)C1 ZINC001685219119 1292456436 /nfs/dbraw/zinc/45/64/36/1292456436.db2.gz OKWKCJQFNVIGJH-PMUOWJKOSA-N -1 1 364.368 0.881 10 0 FCAEMM C[C@@H]1CCN(C(=O)NC2CC(CC(N)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001685219497 1292456794 /nfs/dbraw/zinc/45/67/94/1292456794.db2.gz WMBLDGLLJFAUEA-SFXRXQKFSA-N -1 1 364.368 0.739 10 0 FCAEMM NS(=O)(=O)[C@H]1CCCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001685479181 1292534935 /nfs/dbraw/zinc/53/49/35/1292534935.db2.gz FQKZDDSSBFWBCY-JTQLQIEISA-N -1 1 363.386 0.675 10 0 FCAEMM COCCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001685644616 1292580974 /nfs/dbraw/zinc/58/09/74/1292580974.db2.gz YAIAYKYZYYSCBG-CHWSQXEVSA-N -1 1 351.403 0.275 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001685840548 1292653922 /nfs/dbraw/zinc/65/39/22/1292653922.db2.gz DWXXCSFAPNXOJA-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM Cn1ncc(C2CC2)c1CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687087758 1292983253 /nfs/dbraw/zinc/98/32/53/1292983253.db2.gz SOFHLYUBFUBYCX-UHFFFAOYSA-N -1 1 358.402 0.865 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000749278074 836353102 /nfs/dbraw/zinc/35/31/02/836353102.db2.gz HBPZTWOGQNCPMS-IUCAKERBSA-N -1 1 356.325 0.940 10 0 FCAEMM CO[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000749718393 836379528 /nfs/dbraw/zinc/37/95/28/836379528.db2.gz ATTFREQUFJLKHV-NSHDSACASA-N -1 1 358.416 0.777 10 0 FCAEMM C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000823754182 836517968 /nfs/dbraw/zinc/51/79/68/836517968.db2.gz WICZPFXALYKKNW-AOOOYVTPSA-N -1 1 363.892 0.985 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC001116320844 846655706 /nfs/dbraw/zinc/65/57/06/846655706.db2.gz OKTBBECRVSXQEL-GFCCVEGCSA-N -1 1 353.444 0.488 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001116662928 846729906 /nfs/dbraw/zinc/72/99/06/846729906.db2.gz IQYKJKTUAGLTFB-SNVBAGLBSA-N -1 1 361.326 0.671 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001116663779 846730371 /nfs/dbraw/zinc/73/03/71/846730371.db2.gz RTTXPNCLMUMPAV-TZMCWYRMSA-N -1 1 372.447 0.062 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3cnc4sccc4c3=O)nc2n1 ZINC001117704730 847150503 /nfs/dbraw/zinc/15/05/03/847150503.db2.gz HEONHOLEMJYYKV-UHFFFAOYSA-N -1 1 357.355 0.136 10 0 FCAEMM C[S@@](=O)C1(C(=O)Nc2nnn[n-]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001118676830 847530918 /nfs/dbraw/zinc/53/09/18/847530918.db2.gz RLOLVEOYTIPOLX-XMMPIXPASA-N -1 1 358.424 0.286 10 0 FCAEMM C[S@@](=O)C1(C(=O)Nc2nn[n-]n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001118676830 847530924 /nfs/dbraw/zinc/53/09/24/847530924.db2.gz RLOLVEOYTIPOLX-XMMPIXPASA-N -1 1 358.424 0.286 10 0 FCAEMM C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001119536665 847879274 /nfs/dbraw/zinc/87/92/74/847879274.db2.gz BTEOTEGZSTUMDW-JFGNBEQYSA-N -1 1 365.352 0.451 10 0 FCAEMM C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001119536665 847879280 /nfs/dbraw/zinc/87/92/80/847879280.db2.gz BTEOTEGZSTUMDW-JFGNBEQYSA-N -1 1 365.352 0.451 10 0 FCAEMM Clc1n[n-]c(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@H]2CCOC2)n1 ZINC001123122899 848570794 /nfs/dbraw/zinc/57/07/94/848570794.db2.gz NCWAJWAHZLARDS-MXWKQRLJSA-N -1 1 365.825 0.836 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001124056778 848673887 /nfs/dbraw/zinc/67/38/87/848673887.db2.gz DPVITGRLZWCQDC-UHFFFAOYSA-N -1 1 351.432 0.657 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@]3(C)CCCS3(=O)=O)nc2n1 ZINC001131778171 849135714 /nfs/dbraw/zinc/13/57/14/849135714.db2.gz HTCIOHMUOWRWTQ-CQSZACIVSA-N -1 1 353.404 0.276 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC1CCC(O)(C(F)(F)F)CC1 ZINC001137430159 849265981 /nfs/dbraw/zinc/26/59/81/849265981.db2.gz DVPQNYNJRGACBP-UHFFFAOYSA-N -1 1 361.320 0.869 10 0 FCAEMM Nc1c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cnn1-c1ccccc1 ZINC001138437023 849310238 /nfs/dbraw/zinc/31/02/38/849310238.db2.gz DGSJFZGFPRLUJU-LBPRGKRZSA-N -1 1 356.415 0.898 10 0 FCAEMM Cc1[nH]nc(Br)c1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001138438159 849311371 /nfs/dbraw/zinc/31/13/71/849311371.db2.gz QBFHNAPAGSGWPG-LURJTMIESA-N -1 1 358.225 0.924 10 0 FCAEMM CN1CCn2nc(C(=O)Nc3ccc([O-])c(F)c3F)cc2S1(=O)=O ZINC001140657866 849366686 /nfs/dbraw/zinc/36/66/86/849366686.db2.gz ZIVWYCYJPBHFFV-UHFFFAOYSA-N -1 1 358.326 0.753 10 0 FCAEMM COC(=O)C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccs1 ZINC001141319725 849389878 /nfs/dbraw/zinc/38/98/78/849389878.db2.gz PCWJEMJUEJOTFH-JTQLQIEISA-N -1 1 363.395 0.999 10 0 FCAEMM CC(C)(C)OC(=O)NCCCNC(=O)CNC(=O)c1ncccc1[O-] ZINC001144552064 849525984 /nfs/dbraw/zinc/52/59/84/849525984.db2.gz SWMMWWRUZLMYCA-UHFFFAOYSA-N -1 1 352.391 0.548 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146750865 849565046 /nfs/dbraw/zinc/56/50/46/849565046.db2.gz YGIVIHULNZMACE-JQWIXIFHSA-N -1 1 354.359 0.621 10 0 FCAEMM O=C(NCc1n[nH]c(CO)n1)c1cccc(I)c1[O-] ZINC001148339110 849610134 /nfs/dbraw/zinc/61/01/34/849610134.db2.gz CTMDQPKVRSGSCZ-UHFFFAOYSA-N -1 1 374.138 0.537 10 0 FCAEMM CSc1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(=O)[n-]1 ZINC001163577466 850373915 /nfs/dbraw/zinc/37/39/15/850373915.db2.gz JYMWSYZPSFVAMT-UIKWRGBMSA-N -1 1 357.457 0.876 10 0 FCAEMM CSc1nc(CNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc(=O)[n-]1 ZINC001163577553 850374169 /nfs/dbraw/zinc/37/41/69/850374169.db2.gz LKARKVSQABYWML-UHFFFAOYSA-N -1 1 353.791 0.981 10 0 FCAEMM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001163585513 850375481 /nfs/dbraw/zinc/37/54/81/850375481.db2.gz LKJHXSPOUUHTLT-ZWNOBZJWSA-N -1 1 353.350 0.267 10 0 FCAEMM COCCN(CCOC)C1CN(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001164355526 850408864 /nfs/dbraw/zinc/40/88/64/850408864.db2.gz CHIYTPUOGHCPAL-UHFFFAOYSA-N -1 1 350.415 0.932 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)CN1C(=O)NC2(CCC(=O)CC2)C1=O ZINC001165926248 850458432 /nfs/dbraw/zinc/45/84/32/850458432.db2.gz SJTZGJGOKJNCJC-UHFFFAOYSA-N -1 1 363.292 0.058 10 0 FCAEMM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001176029857 850780158 /nfs/dbraw/zinc/78/01/58/850780158.db2.gz VTRVLAVEYFDYTO-RISCZKNCSA-N -1 1 351.403 0.845 10 0 FCAEMM Cn1ncc(I)c1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001176724793 850800336 /nfs/dbraw/zinc/80/03/36/850800336.db2.gz JEHKELSTDHLQSF-UHFFFAOYSA-N -1 1 373.158 0.347 10 0 FCAEMM COC[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1nn[n-]n1 ZINC001177827064 850871748 /nfs/dbraw/zinc/87/17/48/850871748.db2.gz COMXNLLCVDLQGD-LLVKDONJSA-N -1 1 365.781 0.500 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264046775 859285038 /nfs/dbraw/zinc/28/50/38/859285038.db2.gz PAXNGNHXJLWOEV-UONOGXRCSA-N -1 1 351.451 0.537 10 0 FCAEMM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001282354053 864212820 /nfs/dbraw/zinc/21/28/20/864212820.db2.gz XJVTXIULUDIXSH-UTUOFQBUSA-N -1 1 369.443 0.187 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[n-]1 ZINC001288774600 864804231 /nfs/dbraw/zinc/80/42/31/864804231.db2.gz KJCSDLBVHSSMGY-JTQLQIEISA-N -1 1 371.415 0.614 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C3CCC2(C(N)=O)CC3)o1 ZINC001289436021 865056557 /nfs/dbraw/zinc/05/65/57/865056557.db2.gz CTNXRIHMZPRURK-UHFFFAOYSA-N -1 1 369.443 0.979 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(=O)[n-]1 ZINC001290587170 865452708 /nfs/dbraw/zinc/45/27/08/865452708.db2.gz JSENPVLNZMMLLJ-UHFFFAOYSA-N -1 1 367.431 0.114 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC001292668099 865747804 /nfs/dbraw/zinc/74/78/04/865747804.db2.gz MLVJBBQYFOVCGS-UHFFFAOYSA-N -1 1 360.443 0.889 10 0 FCAEMM C=CC(=O)NCCC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001296141688 865941425 /nfs/dbraw/zinc/94/14/25/865941425.db2.gz MWJCTASLXSCJKF-ZDUSSCGKSA-N -1 1 352.757 0.890 10 0 FCAEMM CCOC(=O)c1cn(CCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cn1 ZINC001297288495 866020977 /nfs/dbraw/zinc/02/09/77/866020977.db2.gz XLVRSYZUQWPYPL-UHFFFAOYSA-N -1 1 351.388 0.583 10 0 FCAEMM CSc1ncc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(=O)[n-]1 ZINC001297721456 866052189 /nfs/dbraw/zinc/05/21/89/866052189.db2.gz DJIFJJYQKVVNPZ-ANRSDYALSA-N -1 1 365.415 0.497 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc(C(F)(F)F)cn2)co1 ZINC001298172807 866095248 /nfs/dbraw/zinc/09/52/48/866095248.db2.gz WRMDWRXLYHJGGD-UHFFFAOYSA-N -1 1 364.305 0.927 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001350843755 866708484 /nfs/dbraw/zinc/70/84/84/866708484.db2.gz CTIJGZJSHJQWNR-GCHJQGSQSA-N -1 1 361.364 0.817 10 0 FCAEMM Cc1nc(C(=O)[N-]c2nc(C3CCOCC3)ns2)nn1-c1nc[nH]n1 ZINC001351651517 866932756 /nfs/dbraw/zinc/93/27/56/866932756.db2.gz PGAQVJWIFGJLGB-UHFFFAOYSA-N -1 1 361.391 0.692 10 0 FCAEMM CC1(/C=C/C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001354062367 867543006 /nfs/dbraw/zinc/54/30/06/867543006.db2.gz ZZWMHAZIICCWIT-DCKQQPRJSA-N -1 1 352.431 0.747 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001320931973 868323377 /nfs/dbraw/zinc/32/33/77/868323377.db2.gz BUIUFMSYIMBUQM-BDAKNGLRSA-N -1 1 370.431 0.399 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(C(F)(F)F)n1 ZINC001324491156 869601129 /nfs/dbraw/zinc/60/11/29/869601129.db2.gz XYCLJJMRUUBROK-UHFFFAOYSA-N -1 1 361.367 0.152 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC001325859048 870065063 /nfs/dbraw/zinc/06/50/63/870065063.db2.gz PIDCNZXAPSYUOV-LLVKDONJSA-N -1 1 366.390 0.366 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)CCOCC1 ZINC001326406030 870298458 /nfs/dbraw/zinc/29/84/58/870298458.db2.gz IAICUSFUMDORPS-UHFFFAOYSA-N -1 1 372.447 0.099 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)[C@H]1CCOC1 ZINC001327082042 870657395 /nfs/dbraw/zinc/65/73/95/870657395.db2.gz ZTSKBYYMEXMCDG-DTWKUNHWSA-N -1 1 353.491 0.731 10 0 FCAEMM CC(C)n1ncc(C(=O)OCc2nn[n-]n2)c1I ZINC001346448934 871846304 /nfs/dbraw/zinc/84/63/04/871846304.db2.gz FSUKQXKKLAYNAJ-UHFFFAOYSA-N -1 1 362.131 0.939 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC001329488998 872063622 /nfs/dbraw/zinc/06/36/22/872063622.db2.gz JUKYLRUMQCENEH-DOMZBBRYSA-N -1 1 351.355 0.546 10 0 FCAEMM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c[n-]1 ZINC001329678900 872175765 /nfs/dbraw/zinc/17/57/65/872175765.db2.gz MDBKSKKKVSIQCM-GFCCVEGCSA-N -1 1 357.432 0.446 10 0 FCAEMM CCc1nnc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001347145995 872183804 /nfs/dbraw/zinc/18/38/04/872183804.db2.gz UBODVCNZCHCARS-OIBJUYFYSA-N -1 1 350.297 0.728 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(=O)NCCF ZINC001329783192 872252670 /nfs/dbraw/zinc/25/26/70/872252670.db2.gz BDQAXIUDKYZLIB-LURJTMIESA-N -1 1 372.191 0.736 10 0 FCAEMM O=C([O-])C1CCC(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001347623745 872424152 /nfs/dbraw/zinc/42/41/52/872424152.db2.gz GNWMXRSBGZJESK-ZUBZBLCWSA-N -1 1 354.447 0.609 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCN2CCOC[C@]2(CO)C1 ZINC001348454579 872703227 /nfs/dbraw/zinc/70/32/27/872703227.db2.gz KLGHKQIVEPFMAE-OAHLLOKOSA-N -1 1 371.231 0.674 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H](CN2CCOCC2)C1 ZINC001348741530 872781988 /nfs/dbraw/zinc/78/19/88/872781988.db2.gz MWCHVHCIGBNXGJ-GFCCVEGCSA-N -1 1 368.459 0.386 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC001332142698 873390484 /nfs/dbraw/zinc/39/04/84/873390484.db2.gz UWDNVOPDHPATET-AWEZNQCLSA-N -1 1 356.467 0.288 10 0 FCAEMM C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC001332186439 873402853 /nfs/dbraw/zinc/40/28/53/873402853.db2.gz DKYHJGMENPOSBA-VHSXEESVSA-N -1 1 358.382 0.820 10 0 FCAEMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001332474177 873523542 /nfs/dbraw/zinc/52/35/42/873523542.db2.gz OZQMLYHUUFGTTO-REWJHTLYSA-N -1 1 357.476 0.888 10 0 FCAEMM Cc1ncsc1/C=C\C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001332629511 873589362 /nfs/dbraw/zinc/58/93/62/873589362.db2.gz RFKXGTICCAMWPX-YPQKKHBXSA-N -1 1 351.428 0.853 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cncc(-c2nncn2C)c1)[C@@H]1CCOC1 ZINC001333146261 873823225 /nfs/dbraw/zinc/82/32/25/873823225.db2.gz WJSFAQIRBYKUHR-BXUZGUMPSA-N -1 1 367.431 0.670 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CC3)cn2)CC1 ZINC000908801108 939323124 /nfs/dbraw/zinc/32/31/24/939323124.db2.gz ZYHIQNRIAJMODU-INIZCTEOSA-N -1 1 361.446 0.886 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)c(=O)n(C)c1=O ZINC000292151903 214081736 /nfs/dbraw/zinc/08/17/36/214081736.db2.gz CBEUZKMVYFVERP-UHFFFAOYSA-N -1 1 367.402 0.579 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)CC[C@@H]1CCOC1)C(=O)OCc1ccccc1 ZINC000293212935 214154496 /nfs/dbraw/zinc/15/44/96/214154496.db2.gz VCUKMWQZGDZCDG-BPUTZDHNSA-N -1 1 371.455 0.825 10 0 FCAEMM COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1nc(=O)[n-][nH]1 ZINC000295264368 214288415 /nfs/dbraw/zinc/28/84/15/214288415.db2.gz RPIPMWHZKBTNQZ-LLVKDONJSA-N -1 1 367.203 0.960 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)o1 ZINC000285650095 213371654 /nfs/dbraw/zinc/37/16/54/213371654.db2.gz CHNBWPKDVWWLIY-UHFFFAOYSA-N -1 1 369.321 0.034 10 0 FCAEMM CN1N=C(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCC1=O ZINC000361503085 215395488 /nfs/dbraw/zinc/39/54/88/215395488.db2.gz JBMQAUZDPQWQRR-UHFFFAOYSA-N -1 1 366.399 0.380 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)CO ZINC000930999832 674085596 /nfs/dbraw/zinc/08/55/96/674085596.db2.gz IWUUXMLDKRQFQD-GARJFASQSA-N -1 1 370.368 0.193 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)co1 ZINC000283727641 213000209 /nfs/dbraw/zinc/00/02/09/213000209.db2.gz VWKGVDMSLXIOOZ-FZMZJTMJSA-N -1 1 372.443 0.485 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367116807 216077211 /nfs/dbraw/zinc/07/72/11/216077211.db2.gz IFVWNOUXBTVHGD-OLZOCXBDSA-N -1 1 370.479 0.500 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)o1 ZINC000276355782 212219613 /nfs/dbraw/zinc/21/96/13/212219613.db2.gz IINCFIHNXQMYBY-OUJBWJOFSA-N -1 1 356.400 0.601 10 0 FCAEMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000276146264 212172630 /nfs/dbraw/zinc/17/26/30/212172630.db2.gz CFZYRRUYUHZOLD-PSASIEDQSA-N -1 1 357.457 0.844 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000275372434 212014330 /nfs/dbraw/zinc/01/43/30/212014330.db2.gz WJQWNZINAHWQTM-UHFFFAOYSA-N -1 1 352.334 0.885 10 0 FCAEMM Cn1cc(N2CCC[C@H](NC(=O)c3c[n-]c4c(cnn4C)c3=O)C2)cn1 ZINC000182071220 209125673 /nfs/dbraw/zinc/12/56/73/209125673.db2.gz LONFJDKSKGZFSS-NSHDSACASA-N -1 1 355.402 0.806 10 0 FCAEMM C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000419477027 246177126 /nfs/dbraw/zinc/17/71/26/246177126.db2.gz HGENGVSMYBRPAE-DTWKUNHWSA-N -1 1 350.345 0.420 10 0 FCAEMM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000419477027 246177130 /nfs/dbraw/zinc/17/71/30/246177130.db2.gz HGENGVSMYBRPAE-DTWKUNHWSA-N -1 1 350.345 0.420 10 0 FCAEMM Cc1nc(-c2ccc(N3CC[C@@H](NS(C)(=O)=O)C3)nc2)[n-]c(=O)c1C ZINC000425225541 247308291 /nfs/dbraw/zinc/30/82/91/247308291.db2.gz LKCKWSMRNRHLLV-CYBMUJFWSA-N -1 1 363.443 0.989 10 0 FCAEMM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000443270365 248318387 /nfs/dbraw/zinc/31/83/87/248318387.db2.gz HXUAOXIPBPZRPK-SNVBAGLBSA-N -1 1 365.415 0.284 10 0 FCAEMM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000443270365 248318389 /nfs/dbraw/zinc/31/83/89/248318389.db2.gz HXUAOXIPBPZRPK-SNVBAGLBSA-N -1 1 365.415 0.284 10 0 FCAEMM CN1CC[N@@H+](CCCNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](c2ccccc2)C1 ZINC000270571823 211224960 /nfs/dbraw/zinc/22/49/60/211224960.db2.gz BQHTYCTVOWIEGS-HOTGVXAUSA-N -1 1 373.457 0.080 10 0 FCAEMM CC(C)C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000470975408 250082627 /nfs/dbraw/zinc/08/26/27/250082627.db2.gz MHSFNRYAGKIMDS-FRRDWIJNSA-N -1 1 372.429 0.671 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000470985749 250084223 /nfs/dbraw/zinc/08/42/23/250084223.db2.gz RMHDRYBKALZMKN-GFCCVEGCSA-N -1 1 358.377 0.997 10 0 FCAEMM CCOc1ccccc1N1C[C@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000470987460 250084401 /nfs/dbraw/zinc/08/44/01/250084401.db2.gz UIHAFOCNBHYMTC-LLVKDONJSA-N -1 1 356.386 0.757 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116116647 208327065 /nfs/dbraw/zinc/32/70/65/208327065.db2.gz MLJXIBPYVSGYIG-CYBMUJFWSA-N -1 1 354.414 0.932 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)NCc1cccnc1-n1cncn1)c2=O ZINC000119156510 208357085 /nfs/dbraw/zinc/35/70/85/208357085.db2.gz MXFOYNLPJBIIOW-UHFFFAOYSA-N -1 1 350.342 0.580 10 0 FCAEMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)C2 ZINC000180600854 209098173 /nfs/dbraw/zinc/09/81/73/209098173.db2.gz OODCCBBHJQDFJU-IAQYHMDHSA-N -1 1 363.439 0.604 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)[nH]n1 ZINC000179056338 209071247 /nfs/dbraw/zinc/07/12/47/209071247.db2.gz AQUJMEPNWYRESV-UHFFFAOYSA-N -1 1 360.399 0.851 10 0 FCAEMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)s1 ZINC000287528609 488878239 /nfs/dbraw/zinc/87/82/39/488878239.db2.gz UIVQESUIYDHFDE-LURJTMIESA-N -1 1 355.365 0.333 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)o1 ZINC000032976369 487789097 /nfs/dbraw/zinc/78/90/97/487789097.db2.gz HSNIOVCQIMVVDD-SNVBAGLBSA-N -1 1 367.431 0.997 10 0 FCAEMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1 ZINC000044946640 487926587 /nfs/dbraw/zinc/92/65/87/487926587.db2.gz IEAKKLVOWHMKJW-LBPRGKRZSA-N -1 1 362.361 0.190 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000074162460 488388303 /nfs/dbraw/zinc/38/83/03/488388303.db2.gz WJYOVGXEVGDLKA-AWEZNQCLSA-N -1 1 359.430 0.903 10 0 FCAEMM CCNC(=O)N1CC[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000268418754 488417065 /nfs/dbraw/zinc/41/70/65/488417065.db2.gz AKAMUCZTAPRKCV-CYBMUJFWSA-N -1 1 374.445 0.904 10 0 FCAEMM CCc1nc(S(=O)(=O)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)n[n-]1 ZINC000195053535 488435338 /nfs/dbraw/zinc/43/53/38/488435338.db2.gz LPTNSFTUALVWNP-MRVPVSSYSA-N -1 1 354.354 0.942 10 0 FCAEMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CCCO1 ZINC000271533105 488525087 /nfs/dbraw/zinc/52/50/87/488525087.db2.gz NMZSKEAGRQFDFQ-INIZCTEOSA-N -1 1 370.427 0.921 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1csnn1 ZINC000271647790 488535041 /nfs/dbraw/zinc/53/50/41/488535041.db2.gz ZDLPLXNKESCTKY-UHFFFAOYSA-N -1 1 370.412 0.517 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC2(C)C)cc1[N-]S(C)(=O)=O ZINC000271654293 488535567 /nfs/dbraw/zinc/53/55/67/488535567.db2.gz WOCFHLKPBBJRAW-GFCCVEGCSA-N -1 1 355.416 0.920 10 0 FCAEMM CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000262760334 488590823 /nfs/dbraw/zinc/59/08/23/488590823.db2.gz ZNTXWEIIDGXYCX-UHFFFAOYSA-N -1 1 361.358 0.103 10 0 FCAEMM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000263858408 488631547 /nfs/dbraw/zinc/63/15/47/488631547.db2.gz GYEFOJAABYTSHZ-NWDGAFQWSA-N -1 1 368.411 0.924 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)CN1CCOCC1)c1c(F)cccc1Cl ZINC000133113013 488657581 /nfs/dbraw/zinc/65/75/81/488657581.db2.gz LOGMUSSDUXKZFC-SNVBAGLBSA-N -1 1 352.815 0.451 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132700039 488655054 /nfs/dbraw/zinc/65/50/54/488655054.db2.gz ZEFFXIMRHMZCNK-JTQLQIEISA-N -1 1 350.329 0.614 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)o1 ZINC000135337171 488672387 /nfs/dbraw/zinc/67/23/87/488672387.db2.gz SYQCBHKJIJDNJC-VIFPVBQESA-N -1 1 353.404 0.607 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000137570590 488681132 /nfs/dbraw/zinc/68/11/32/488681132.db2.gz YTUQENRLWCZZIR-JSGCOSHPSA-N -1 1 359.430 0.732 10 0 FCAEMM Cc1[n-]c2nc(S(=O)(=O)C[C@H](O)CO)nc-2cc1Br ZINC000152025409 488712687 /nfs/dbraw/zinc/71/26/87/488712687.db2.gz SHXCMPXSHSGKRK-ZCFIWIBFSA-N -1 1 350.194 0.156 10 0 FCAEMM Cc1nc2nc(S(=O)(=O)C[C@H](O)CO)[n-]c2cc1Br ZINC000152025409 488712683 /nfs/dbraw/zinc/71/26/83/488712683.db2.gz SHXCMPXSHSGKRK-ZCFIWIBFSA-N -1 1 350.194 0.156 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cn3cccn3)CC2)co1 ZINC000152713639 488721953 /nfs/dbraw/zinc/72/19/53/488721953.db2.gz ZCHQQSMLMZNWCP-UHFFFAOYSA-N -1 1 352.416 0.937 10 0 FCAEMM O=C(CCNC(=O)c1nc2ccccc2c(=O)[n-]1)NCc1ccccn1 ZINC000153375200 488730193 /nfs/dbraw/zinc/73/01/93/488730193.db2.gz AOPGJZURDPAALQ-UHFFFAOYSA-N -1 1 351.366 0.754 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(=O)[nH]c3ccccc23)co1 ZINC000153406311 488730920 /nfs/dbraw/zinc/73/09/20/488730920.db2.gz AOOZVNFUNGHGMK-UHFFFAOYSA-N -1 1 361.379 0.959 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)c1Cl ZINC000274743223 488731413 /nfs/dbraw/zinc/73/14/13/488731413.db2.gz NWSYRCXANHHADF-UHFFFAOYSA-N -1 1 371.850 0.784 10 0 FCAEMM COCCc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000274950684 488747299 /nfs/dbraw/zinc/74/72/99/488747299.db2.gz SQCTXUXOYKBWBS-CQSZACIVSA-N -1 1 353.400 0.573 10 0 FCAEMM CCOc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cn1 ZINC000274953901 488747856 /nfs/dbraw/zinc/74/78/56/488747856.db2.gz IJIUXPBLKKWBNI-ZDUSSCGKSA-N -1 1 357.432 0.698 10 0 FCAEMM CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274986369 488750960 /nfs/dbraw/zinc/75/09/60/488750960.db2.gz YNTYPUPOSFXALJ-ZDUSSCGKSA-N -1 1 367.383 0.561 10 0 FCAEMM CC(C)Cn1cnc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000274999365 488751942 /nfs/dbraw/zinc/75/19/42/488751942.db2.gz NVMBKLXLZHILKP-CYBMUJFWSA-N -1 1 358.464 0.757 10 0 FCAEMM O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC2(C1)NC(=O)NC2=O ZINC000155177665 488752318 /nfs/dbraw/zinc/75/23/18/488752318.db2.gz SGZPJNFAPQXTNZ-HVEKOLDVSA-N -1 1 356.426 0.755 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(OC)c1 ZINC000275048726 488756629 /nfs/dbraw/zinc/75/66/29/488756629.db2.gz HWLFDKFICWPNJI-LLVKDONJSA-N -1 1 355.372 0.401 10 0 FCAEMM O=C(Cc1noc(C[N-]S(=O)(=O)c2cccs2)n1)N1CCCC1 ZINC000277978261 488795459 /nfs/dbraw/zinc/79/54/59/488795459.db2.gz VBKBHKHETFJQCH-UHFFFAOYSA-N -1 1 356.429 0.775 10 0 FCAEMM C[C@H]1CCCCN1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267727694 488815590 /nfs/dbraw/zinc/81/55/90/488815590.db2.gz YJTBLKRPLYKWAM-JTQLQIEISA-N -1 1 367.431 0.589 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173963581 488846520 /nfs/dbraw/zinc/84/65/20/488846520.db2.gz YDERCKIRTDDOEG-WBMJQRKESA-N -1 1 373.457 0.361 10 0 FCAEMM CC(C)(C)c1cc(CS(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])no1 ZINC000563227716 491229424 /nfs/dbraw/zinc/22/94/24/491229424.db2.gz ZJSVVJIARHFKOH-NSHDSACASA-N -1 1 356.404 0.811 10 0 FCAEMM CS(=O)(=O)c1cccc(OCCN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289406414 489065170 /nfs/dbraw/zinc/06/51/70/489065170.db2.gz LLPVWWCUWOCZIQ-GFCCVEGCSA-N -1 1 366.443 0.760 10 0 FCAEMM COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289498241 489071936 /nfs/dbraw/zinc/07/19/36/489071936.db2.gz TXTIWFAHXBLYTL-CQSZACIVSA-N -1 1 359.430 0.945 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000365998640 489133457 /nfs/dbraw/zinc/13/34/57/489133457.db2.gz ZWLDVSAWASEFDW-ONGXEEELSA-N -1 1 356.402 0.967 10 0 FCAEMM CCn1nccc1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282637073 489180457 /nfs/dbraw/zinc/18/04/57/489180457.db2.gz OLVXQIGNLOTGQP-UHFFFAOYSA-N -1 1 368.381 0.982 10 0 FCAEMM Cn1c2ccccc2n(CCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1=O ZINC000282846685 489194265 /nfs/dbraw/zinc/19/42/65/489194265.db2.gz FWDNMHMJRGJTIA-GFCCVEGCSA-N -1 1 370.413 0.548 10 0 FCAEMM O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919596 489199609 /nfs/dbraw/zinc/19/96/09/489199609.db2.gz NRRYHIIMBIPJNE-CQSZACIVSA-N -1 1 357.414 0.954 10 0 FCAEMM O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283046961 489209837 /nfs/dbraw/zinc/20/98/37/489209837.db2.gz ZZIYBPJITMZSBS-LBPRGKRZSA-N -1 1 370.365 0.989 10 0 FCAEMM O=C(NC1CC1)c1[nH]nnc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000297621884 489214636 /nfs/dbraw/zinc/21/46/36/489214636.db2.gz BITXFNYCGQRVFF-UHFFFAOYSA-N -1 1 360.340 0.910 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)o1 ZINC000283148463 489219743 /nfs/dbraw/zinc/21/97/43/489219743.db2.gz JNURRQMBGDZZPI-FZMZJTMJSA-N -1 1 373.427 0.912 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)o1 ZINC000283517155 489269129 /nfs/dbraw/zinc/26/91/29/489269129.db2.gz FNNPRDLTNKERPU-BXUZGUMPSA-N -1 1 372.443 0.485 10 0 FCAEMM CCc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)c1C ZINC000349465224 489292226 /nfs/dbraw/zinc/29/22/26/489292226.db2.gz KKLZIIFYDIYHOY-UHFFFAOYSA-N -1 1 366.465 0.379 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370870784 489417691 /nfs/dbraw/zinc/41/76/91/489417691.db2.gz WHJYYESCTIBFDS-AXFHLTTASA-N -1 1 354.436 0.047 10 0 FCAEMM CC[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299316768 489431221 /nfs/dbraw/zinc/43/12/21/489431221.db2.gz LOPMHXZPDLDOMN-AWEZNQCLSA-N -1 1 358.416 0.777 10 0 FCAEMM CCNC(=O)NC(=O)[C@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000414224453 489494524 /nfs/dbraw/zinc/49/45/24/489494524.db2.gz QGUYKLMPRBVOJC-VIFPVBQESA-N -1 1 351.388 0.480 10 0 FCAEMM CCNC(=O)NC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000414224453 489494527 /nfs/dbraw/zinc/49/45/27/489494527.db2.gz QGUYKLMPRBVOJC-VIFPVBQESA-N -1 1 351.388 0.480 10 0 FCAEMM NS(=O)(=O)CCOCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451527064 489508308 /nfs/dbraw/zinc/50/83/08/489508308.db2.gz ISMOPJBEYSPBMO-UHFFFAOYSA-N -1 1 360.816 0.063 10 0 FCAEMM Cc1cnc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000426644377 489577806 /nfs/dbraw/zinc/57/78/06/489577806.db2.gz CVNFZUNDVOUWMT-CHWSQXEVSA-N -1 1 354.428 0.904 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)[n-]1 ZINC000427993081 489632078 /nfs/dbraw/zinc/63/20/78/489632078.db2.gz CSRFXXUTNDYKFR-GFCCVEGCSA-N -1 1 367.406 0.950 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000427993081 489632080 /nfs/dbraw/zinc/63/20/80/489632080.db2.gz CSRFXXUTNDYKFR-GFCCVEGCSA-N -1 1 367.406 0.950 10 0 FCAEMM CNC(=O)[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000428219427 489642472 /nfs/dbraw/zinc/64/24/72/489642472.db2.gz YAALVTCZIQUXTM-HNNXBMFYSA-N -1 1 357.414 0.570 10 0 FCAEMM CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000570896229 491272115 /nfs/dbraw/zinc/27/21/15/491272115.db2.gz HDXRPMJXEHPDJK-UHFFFAOYSA-N -1 1 374.426 0.638 10 0 FCAEMM CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000570896229 491272116 /nfs/dbraw/zinc/27/21/16/491272116.db2.gz HDXRPMJXEHPDJK-UHFFFAOYSA-N -1 1 374.426 0.638 10 0 FCAEMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1N1CCNC1=O ZINC000461093829 489895394 /nfs/dbraw/zinc/89/53/94/489895394.db2.gz ZHEUOLCXQPCXMN-UHFFFAOYSA-N -1 1 371.401 0.937 10 0 FCAEMM CCOC(=O)C1CCN(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000377495845 489911882 /nfs/dbraw/zinc/91/18/82/489911882.db2.gz SFMAFCVYZWGUHG-UHFFFAOYSA-N -1 1 365.434 0.491 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccccn2)c1 ZINC000461465941 489913149 /nfs/dbraw/zinc/91/31/49/489913149.db2.gz SABBBUKMPHDGIP-UHFFFAOYSA-N -1 1 364.383 0.064 10 0 FCAEMM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1)c1ccco1 ZINC000477022514 489931646 /nfs/dbraw/zinc/93/16/46/489931646.db2.gz VHJOJIKUONIRGN-ZDUSSCGKSA-N -1 1 366.381 0.939 10 0 FCAEMM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477018923 489931717 /nfs/dbraw/zinc/93/17/17/489931717.db2.gz KESLNCHBRJLOOW-UHFFFAOYSA-N -1 1 362.415 0.467 10 0 FCAEMM CC(=O)N[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1c(F)cccc1F ZINC000477025666 489932290 /nfs/dbraw/zinc/93/22/90/489932290.db2.gz OEGFYXKJUYUBQV-LLVKDONJSA-N -1 1 350.329 0.851 10 0 FCAEMM CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477037306 489934266 /nfs/dbraw/zinc/93/42/66/489934266.db2.gz VUPKPTRVTNWBKW-CYBMUJFWSA-N -1 1 374.470 0.786 10 0 FCAEMM O=C(CNC(=O)c1cc(-c2ccccc2)on1)NC1(c2nn[n-]n2)CC1 ZINC000477035343 489934463 /nfs/dbraw/zinc/93/44/63/489934463.db2.gz KCBIRKYRUCCZGQ-UHFFFAOYSA-N -1 1 353.342 0.390 10 0 FCAEMM CS(=O)(=O)c1ccc(OCCCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477041599 489935059 /nfs/dbraw/zinc/93/50/59/489935059.db2.gz FWEMHKFBCZOVOI-UHFFFAOYSA-N -1 1 365.415 0.568 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000377651728 489936850 /nfs/dbraw/zinc/93/68/50/489936850.db2.gz DSLXFEJDPCTJCV-NSHDSACASA-N -1 1 364.427 0.798 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000377651728 489936851 /nfs/dbraw/zinc/93/68/51/489936851.db2.gz DSLXFEJDPCTJCV-NSHDSACASA-N -1 1 364.427 0.798 10 0 FCAEMM COCCOCc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000462033570 489952321 /nfs/dbraw/zinc/95/23/21/489952321.db2.gz OWZWYIJHPGTBKW-UHFFFAOYSA-N -1 1 354.388 0.624 10 0 FCAEMM COCCOCc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000462033570 489952327 /nfs/dbraw/zinc/95/23/27/489952327.db2.gz OWZWYIJHPGTBKW-UHFFFAOYSA-N -1 1 354.388 0.624 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000477373105 489960560 /nfs/dbraw/zinc/96/05/60/489960560.db2.gz LXLQTXULDYFQTO-NSHDSACASA-N -1 1 358.354 0.822 10 0 FCAEMM Cc1nc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)no1 ZINC000462501610 489978868 /nfs/dbraw/zinc/97/88/68/489978868.db2.gz KSOFVURDGRJEBN-UHFFFAOYSA-N -1 1 372.428 0.297 10 0 FCAEMM COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)N1CCC1 ZINC000506567094 490105410 /nfs/dbraw/zinc/10/54/10/490105410.db2.gz BNANUBZSMALKAO-UHFFFAOYSA-N -1 1 360.388 0.861 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000506877059 490148439 /nfs/dbraw/zinc/14/84/39/490148439.db2.gz UCGNINNBGLLNBV-VIFPVBQESA-N -1 1 369.374 0.987 10 0 FCAEMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000408071651 490238143 /nfs/dbraw/zinc/23/81/43/490238143.db2.gz DBCSICOKKAVFPJ-NXEZZACHSA-N -1 1 366.436 0.995 10 0 FCAEMM Cn1ccc(CS(=O)(=O)c2nc(-c3ccc4c(c3)OCCO4)n[n-]2)n1 ZINC000447501020 490240562 /nfs/dbraw/zinc/24/05/62/490240562.db2.gz NMJNAINIGLQQLR-UHFFFAOYSA-N -1 1 361.383 0.950 10 0 FCAEMM Cn1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)OCCO4)n2)n1 ZINC000447501020 490240566 /nfs/dbraw/zinc/24/05/66/490240566.db2.gz NMJNAINIGLQQLR-UHFFFAOYSA-N -1 1 361.383 0.950 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)OC)cc1[N-]S(C)(=O)=O ZINC000467309568 490281072 /nfs/dbraw/zinc/28/10/72/490281072.db2.gz RMNWFEHWZVGQAH-VHSXEESVSA-N -1 1 373.431 0.545 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000533925505 490299632 /nfs/dbraw/zinc/29/96/32/490299632.db2.gz YVMXOWRKRKSLIC-NSHDSACASA-N -1 1 366.442 0.257 10 0 FCAEMM COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547545770 490313265 /nfs/dbraw/zinc/31/32/65/490313265.db2.gz LNMPYISUCQOZKW-LLVKDONJSA-N -1 1 371.346 0.310 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)n[n-]1 ZINC000448114514 490315150 /nfs/dbraw/zinc/31/51/50/490315150.db2.gz UTSMJFVYQJVHTM-LLVKDONJSA-N -1 1 352.372 0.628 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)n1 ZINC000448114514 490315157 /nfs/dbraw/zinc/31/51/57/490315157.db2.gz UTSMJFVYQJVHTM-LLVKDONJSA-N -1 1 352.372 0.628 10 0 FCAEMM O=C(CCn1cnc2sccc2c1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855484 490412874 /nfs/dbraw/zinc/41/28/74/490412874.db2.gz DVXBKOFKXVWWMS-UHFFFAOYSA-N -1 1 359.415 0.947 10 0 FCAEMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000449834454 490430888 /nfs/dbraw/zinc/43/08/88/490430888.db2.gz LKQOUJQWALLBTI-VIFPVBQESA-N -1 1 359.452 0.724 10 0 FCAEMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000449834454 490430890 /nfs/dbraw/zinc/43/08/90/490430890.db2.gz LKQOUJQWALLBTI-VIFPVBQESA-N -1 1 359.452 0.724 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548208983 490440570 /nfs/dbraw/zinc/44/05/70/490440570.db2.gz FOIBUVQVNQBIRM-HTQZYQBOSA-N -1 1 364.401 0.088 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)s[n-]1 ZINC000411470196 490467216 /nfs/dbraw/zinc/46/72/16/490467216.db2.gz NVFQQHOKODSDMY-LBPRGKRZSA-N -1 1 351.476 0.984 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000523789132 490496023 /nfs/dbraw/zinc/49/60/23/490496023.db2.gz QZLNPCZXMOTCPQ-GFCCVEGCSA-N -1 1 364.431 0.454 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[n-]1 ZINC000523789132 490496027 /nfs/dbraw/zinc/49/60/27/490496027.db2.gz QZLNPCZXMOTCPQ-GFCCVEGCSA-N -1 1 364.431 0.454 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1 ZINC000535655918 490510627 /nfs/dbraw/zinc/51/06/27/490510627.db2.gz UOHZYMPYOZMIOM-UHFFFAOYSA-N -1 1 358.383 0.823 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cccnc2OCC(F)(F)F)n[n-]1 ZINC000500568698 490535922 /nfs/dbraw/zinc/53/59/22/490535922.db2.gz KLMIUZWCUBWAGI-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccnc2OCC(F)(F)F)n1 ZINC000500568698 490535927 /nfs/dbraw/zinc/53/59/27/490535927.db2.gz KLMIUZWCUBWAGI-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM COCCNC(=O)[C@H](CC(C)C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000535883668 490539133 /nfs/dbraw/zinc/53/91/33/490539133.db2.gz VDTZTZCVZJDYQC-AWEZNQCLSA-N -1 1 360.414 0.830 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)sc1C ZINC000548824357 490545010 /nfs/dbraw/zinc/54/50/10/490545010.db2.gz MVOGEXUXTLDKOV-MNOVXSKESA-N -1 1 367.518 0.756 10 0 FCAEMM CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)[C@H]1c1cccnc1 ZINC000537122154 490650692 /nfs/dbraw/zinc/65/06/92/490650692.db2.gz DSRXPEZBMHMJCW-VNHYZAJKSA-N -1 1 355.402 0.520 10 0 FCAEMM CNC(=O)COc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1OC ZINC000537122004 490650765 /nfs/dbraw/zinc/65/07/65/490650765.db2.gz XKRVSODRDCXENF-LBPRGKRZSA-N -1 1 374.401 0.353 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(N3CCOCC3)cc2)n[n-]1 ZINC000512576793 490689132 /nfs/dbraw/zinc/68/91/32/490689132.db2.gz IPXHGGOLSBULBZ-UHFFFAOYSA-N -1 1 351.388 0.297 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(N3CCOCC3)cc2)n1 ZINC000512576793 490689135 /nfs/dbraw/zinc/68/91/35/490689135.db2.gz IPXHGGOLSBULBZ-UHFFFAOYSA-N -1 1 351.388 0.297 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000512603272 490689829 /nfs/dbraw/zinc/68/98/29/490689829.db2.gz VRLVAOWYQZRSEV-ZETCQYMHSA-N -1 1 355.342 0.421 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)[n-]1 ZINC000512603272 490689835 /nfs/dbraw/zinc/68/98/35/490689835.db2.gz VRLVAOWYQZRSEV-ZETCQYMHSA-N -1 1 355.342 0.421 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512661891 490691738 /nfs/dbraw/zinc/69/17/38/490691738.db2.gz VDVZIKHIDMMVIM-NXEZZACHSA-N -1 1 357.436 0.431 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512661891 490691744 /nfs/dbraw/zinc/69/17/44/490691744.db2.gz VDVZIKHIDMMVIM-NXEZZACHSA-N -1 1 357.436 0.431 10 0 FCAEMM Cc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nnn1-c1cccc(C)c1 ZINC000512650981 490691825 /nfs/dbraw/zinc/69/18/25/490691825.db2.gz LQDXBEBJHPWSCA-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM Cc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nnn1-c1cccc(C)c1 ZINC000512650981 490691827 /nfs/dbraw/zinc/69/18/27/490691827.db2.gz LQDXBEBJHPWSCA-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512661894 490692010 /nfs/dbraw/zinc/69/20/10/490692010.db2.gz VDVZIKHIDMMVIM-ZJUUUORDSA-N -1 1 357.436 0.431 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512661894 490692012 /nfs/dbraw/zinc/69/20/12/490692012.db2.gz VDVZIKHIDMMVIM-ZJUUUORDSA-N -1 1 357.436 0.431 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)n[n-]1 ZINC000488716679 490773154 /nfs/dbraw/zinc/77/31/54/490773154.db2.gz RBHMFPDATJXEPJ-UHFFFAOYSA-N -1 1 368.325 0.924 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000488716679 490773155 /nfs/dbraw/zinc/77/31/55/490773155.db2.gz RBHMFPDATJXEPJ-UHFFFAOYSA-N -1 1 368.325 0.924 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)cnc2n1 ZINC000565145977 491355853 /nfs/dbraw/zinc/35/58/53/491355853.db2.gz ABXKMHHBLNPYQL-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000565145977 491355855 /nfs/dbraw/zinc/35/58/55/491355855.db2.gz ABXKMHHBLNPYQL-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2COC2)c(F)c1 ZINC000528566369 490809839 /nfs/dbraw/zinc/80/98/39/490809839.db2.gz VHTAKGTZDGKFFR-UHFFFAOYSA-N -1 1 366.436 0.902 10 0 FCAEMM C[C@]1(c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)NC(=O)NC1=O ZINC000540423147 490821304 /nfs/dbraw/zinc/82/13/04/490821304.db2.gz DHJMTCYCRVZHCC-APPDUMDISA-N -1 1 369.385 0.274 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000543746045 490944544 /nfs/dbraw/zinc/94/45/44/490944544.db2.gz UAJIELIJLCZFCM-TZMCWYRMSA-N -1 1 370.413 0.916 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccon1 ZINC000518642036 490947737 /nfs/dbraw/zinc/94/77/37/490947737.db2.gz KTFSRSAXSLHLGS-UHFFFAOYSA-N -1 1 353.356 0.653 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2S(N)(=O)=O)sc1C ZINC000553917225 491163987 /nfs/dbraw/zinc/16/39/87/491163987.db2.gz SGPFXMHRQWNMJP-UHFFFAOYSA-N -1 1 361.470 0.886 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@@H]1n1cccn1 ZINC000572494735 491374087 /nfs/dbraw/zinc/37/40/87/491374087.db2.gz LIQMJCYZOOZDOY-SUHUHFCYSA-N -1 1 369.399 0.960 10 0 FCAEMM Cn1[n-]c(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)nc1=O ZINC000574501792 491501296 /nfs/dbraw/zinc/50/12/96/491501296.db2.gz GJLTXABKNFAZHZ-BXUZGUMPSA-N -1 1 353.785 0.963 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)[C@@H]1n1cccn1 ZINC000568034162 491549082 /nfs/dbraw/zinc/54/90/82/491549082.db2.gz KQYKQHZTJPOHEU-QKCSRTOESA-N -1 1 368.415 0.533 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)n1 ZINC000588722211 491747298 /nfs/dbraw/zinc/74/72/98/491747298.db2.gz LQVKGMJNRFDZAY-UHFFFAOYSA-N -1 1 363.418 0.556 10 0 FCAEMM NS(=O)(=O)Cc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000589158418 491756655 /nfs/dbraw/zinc/75/66/55/491756655.db2.gz LHSMNOPIPMPPQC-UHFFFAOYSA-N -1 1 372.406 0.642 10 0 FCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000590311834 491773116 /nfs/dbraw/zinc/77/31/16/491773116.db2.gz HUTAUBBCDXGDOJ-QMMMGPOBSA-N -1 1 361.449 0.238 10 0 FCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000590311834 491773117 /nfs/dbraw/zinc/77/31/17/491773117.db2.gz HUTAUBBCDXGDOJ-QMMMGPOBSA-N -1 1 361.449 0.238 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)co1 ZINC000582005099 491793853 /nfs/dbraw/zinc/79/38/53/491793853.db2.gz NJPXINVTPCWMNC-LLVKDONJSA-N -1 1 351.388 0.304 10 0 FCAEMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)o1 ZINC000582022316 491794716 /nfs/dbraw/zinc/79/47/16/491794716.db2.gz FHGDYQJCOJVOAC-UHFFFAOYSA-N -1 1 373.408 0.948 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCSC1 ZINC000592042044 491829001 /nfs/dbraw/zinc/82/90/01/491829001.db2.gz YFSCSPUYIZJSMD-JSGCOSHPSA-N -1 1 367.489 0.396 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)c1ccnn1C ZINC000592090731 491831544 /nfs/dbraw/zinc/83/15/44/491831544.db2.gz DBKFXAHBAVUXNU-HNNXBMFYSA-N -1 1 365.411 0.938 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC)C1CC1 ZINC000601420844 491916743 /nfs/dbraw/zinc/91/67/43/491916743.db2.gz YQZPXJPWPLFRKG-GJZGRUSLSA-N -1 1 356.444 0.900 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000595327366 491919899 /nfs/dbraw/zinc/91/98/99/491919899.db2.gz QTVYJCJXGVOXQJ-GHMZBOCLSA-N -1 1 363.432 0.811 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)cc1C ZINC000595346557 491922692 /nfs/dbraw/zinc/92/26/92/491922692.db2.gz KEJUANYMPBLOLT-OAHLLOKOSA-N -1 1 361.416 0.831 10 0 FCAEMM Cn1nncc1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000613021576 491962860 /nfs/dbraw/zinc/96/28/60/491962860.db2.gz RLAHCUWXWOAJFJ-UHFFFAOYSA-N -1 1 365.415 0.486 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)cc1C ZINC000596041520 491973402 /nfs/dbraw/zinc/97/34/02/491973402.db2.gz KAISVXSFWKOWJP-UHFFFAOYSA-N -1 1 368.415 0.823 10 0 FCAEMM CN1C[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)NC1=O ZINC000613553917 491985999 /nfs/dbraw/zinc/98/59/99/491985999.db2.gz ATKBACQKCRBXQA-VHSXEESVSA-N -1 1 353.745 0.221 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CCc2cn(C)nn2)n[n-]1 ZINC000597578232 492048725 /nfs/dbraw/zinc/04/87/25/492048725.db2.gz CFROVOYCHJIQGU-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CCc2cn(C)nn2)[n-]1 ZINC000597578232 492048727 /nfs/dbraw/zinc/04/87/27/492048727.db2.gz CFROVOYCHJIQGU-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CCc2cn(C)nn2)n1 ZINC000597578232 492048728 /nfs/dbraw/zinc/04/87/28/492048728.db2.gz CFROVOYCHJIQGU-LBPRGKRZSA-N -1 1 363.422 0.946 10 0 FCAEMM CCc1c(C(=O)Nc2c(C)[n-][nH]c2=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000615222103 492079346 /nfs/dbraw/zinc/07/93/46/492079346.db2.gz PFDWFYBURNUZTE-UHFFFAOYSA-N -1 1 358.358 0.184 10 0 FCAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000605381812 492093660 /nfs/dbraw/zinc/09/36/60/492093660.db2.gz YMGQTVPCKQRRNJ-SNVBAGLBSA-N -1 1 361.406 0.338 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)o1 ZINC000615747583 492101260 /nfs/dbraw/zinc/10/12/60/492101260.db2.gz SWAVBBJLWHPTDR-UHFFFAOYSA-N -1 1 351.402 0.169 10 0 FCAEMM CCCC(=O)N1CCC[C@H](C(=O)NCc2n[n-]c(C(=O)OCC)n2)C1 ZINC000615918047 492107078 /nfs/dbraw/zinc/10/70/78/492107078.db2.gz QRYWRTMABAKILA-NSHDSACASA-N -1 1 351.407 0.636 10 0 FCAEMM CCCC(=O)N1CCC[C@H](C(=O)NCc2nc(C(=O)OCC)n[n-]2)C1 ZINC000615918047 492107081 /nfs/dbraw/zinc/10/70/81/492107081.db2.gz QRYWRTMABAKILA-NSHDSACASA-N -1 1 351.407 0.636 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n[n-]1 ZINC000615920203 492107790 /nfs/dbraw/zinc/10/77/90/492107790.db2.gz OYGVIXQQCQGXKM-SNVBAGLBSA-N -1 1 361.333 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000615920203 492107792 /nfs/dbraw/zinc/10/77/92/492107792.db2.gz OYGVIXQQCQGXKM-SNVBAGLBSA-N -1 1 361.333 0.863 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2[nH]c(CC)c(C(=O)OC)c2C)n[n-]1 ZINC000615920283 492107971 /nfs/dbraw/zinc/10/79/71/492107971.db2.gz RALHTXQEJWGMGH-UHFFFAOYSA-N -1 1 363.374 0.897 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2[nH]c(CC)c(C(=O)OC)c2C)n1 ZINC000615920283 492107974 /nfs/dbraw/zinc/10/79/74/492107974.db2.gz RALHTXQEJWGMGH-UHFFFAOYSA-N -1 1 363.374 0.897 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000606117002 492116969 /nfs/dbraw/zinc/11/69/69/492116969.db2.gz JMLWZOYTGMAMGK-UHFFFAOYSA-N -1 1 357.399 0.943 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1F ZINC000599240252 492147310 /nfs/dbraw/zinc/14/73/10/492147310.db2.gz WLTSYAZAIVIBNG-VIFPVBQESA-N -1 1 362.354 0.651 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCn2ccnn2)c1F ZINC000599275957 492153260 /nfs/dbraw/zinc/15/32/60/492153260.db2.gz XRCDHXFTSYSIMX-UHFFFAOYSA-N -1 1 360.342 0.712 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H](CCOC)C(=O)OC)CCOCC1 ZINC000599309901 492158545 /nfs/dbraw/zinc/15/85/45/492158545.db2.gz LMXFEMMGWGQYSK-GFCCVEGCSA-N -1 1 353.437 0.070 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000599403432 492168538 /nfs/dbraw/zinc/16/85/38/492168538.db2.gz DGDZYJORETVLNK-LSDHHAIUSA-N -1 1 357.428 0.878 10 0 FCAEMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000599460932 492176223 /nfs/dbraw/zinc/17/62/23/492176223.db2.gz AYTDQMQFVMVODY-SSDOTTSWSA-N -1 1 353.194 0.046 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618319785 492223824 /nfs/dbraw/zinc/22/38/24/492223824.db2.gz RBQFBTXZDLGJIQ-CABZTGNLSA-N -1 1 366.443 0.676 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000618319787 492223996 /nfs/dbraw/zinc/22/39/96/492223996.db2.gz RBQFBTXZDLGJIQ-SKDRFNHKSA-N -1 1 366.443 0.676 10 0 FCAEMM NC(=O)[C@H]1C[C@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000600316823 492259348 /nfs/dbraw/zinc/25/93/48/492259348.db2.gz HLQVQSOVBCWPGH-FKQCQYRASA-N -1 1 360.151 0.991 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(CC(=O)N(C)C)CC3)cnc2n1 ZINC000620162069 492296875 /nfs/dbraw/zinc/29/68/75/492296875.db2.gz ZUTJTQAATBMTEU-UHFFFAOYSA-N -1 1 357.414 0.490 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(CC(=O)N(C)C)CC3)c[n-]c2n1 ZINC000620162069 492296878 /nfs/dbraw/zinc/29/68/78/492296878.db2.gz ZUTJTQAATBMTEU-UHFFFAOYSA-N -1 1 357.414 0.490 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)CCCC1 ZINC000647898869 492380044 /nfs/dbraw/zinc/38/00/44/492380044.db2.gz RAPKXLDCZVJUDH-ZDUSSCGKSA-N -1 1 356.448 0.404 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)n1 ZINC000621792351 492412943 /nfs/dbraw/zinc/41/29/43/492412943.db2.gz BTZVIWPQWYZBCG-GHMZBOCLSA-N -1 1 352.372 0.303 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[n-]1 ZINC000621792351 492412946 /nfs/dbraw/zinc/41/29/46/492412946.db2.gz BTZVIWPQWYZBCG-GHMZBOCLSA-N -1 1 352.372 0.303 10 0 FCAEMM COC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CC1 ZINC000648841297 492464757 /nfs/dbraw/zinc/46/47/57/492464757.db2.gz OJRDRBRZFLXOTP-UHFFFAOYSA-N -1 1 356.400 0.531 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(N4CCOCC4)c(F)c3)nc2n1 ZINC000622871309 492491603 /nfs/dbraw/zinc/49/16/03/492491603.db2.gz XYPSBASIHRQUST-UHFFFAOYSA-N -1 1 372.360 0.954 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(c2nccnn2)CC1 ZINC000628378951 492497179 /nfs/dbraw/zinc/49/71/79/492497179.db2.gz JPLJVPJKYDVPOR-UHFFFAOYSA-N -1 1 368.401 0.128 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2nccnn2)CC1 ZINC000628380117 492497894 /nfs/dbraw/zinc/49/78/94/492497894.db2.gz CMJVISIFMWSTFH-UHFFFAOYSA-N -1 1 357.418 0.936 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(=O)n(CCO)c1 ZINC000649117299 492501904 /nfs/dbraw/zinc/50/19/04/492501904.db2.gz JNQMNTKZNVYZDW-UHFFFAOYSA-N -1 1 357.370 0.387 10 0 FCAEMM COc1cc2[nH]cc(C(=O)NC[C@H](O)[C@@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600968 492529328 /nfs/dbraw/zinc/52/93/28/492529328.db2.gz HUBRVNAYWPSNRI-KBPBESRZSA-N -1 1 362.382 0.815 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H]1COCCN1C ZINC000628922171 492564841 /nfs/dbraw/zinc/56/48/41/492564841.db2.gz MZVILGLLJXWZMK-HNNXBMFYSA-N -1 1 371.441 0.932 10 0 FCAEMM CN(C)CCn1ccc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)n1 ZINC000629105340 492579209 /nfs/dbraw/zinc/57/92/09/492579209.db2.gz SEENEOHTDJSYBG-UHFFFAOYSA-N -1 1 350.448 0.864 10 0 FCAEMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629212377 492591323 /nfs/dbraw/zinc/59/13/23/492591323.db2.gz KSIXARLAKZKNDT-AOOOYVTPSA-N -1 1 357.432 0.692 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(N4CCOCC4)cc3)nc2n1 ZINC000643909258 492600708 /nfs/dbraw/zinc/60/07/08/492600708.db2.gz OEQHPDIZBUJXGQ-UHFFFAOYSA-N -1 1 354.370 0.237 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)[C@H]1CCOC1 ZINC000656738607 492648064 /nfs/dbraw/zinc/64/80/64/492648064.db2.gz RLQLMDFFXHYOST-IONNQARKSA-N -1 1 354.226 0.965 10 0 FCAEMM CC[C@H](C(=O)[O-])N(C)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000650516559 492648398 /nfs/dbraw/zinc/64/83/98/492648398.db2.gz FUSGLFSOKPWEAJ-OAHLLOKOSA-N -1 1 355.479 0.933 10 0 FCAEMM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000629574564 492651843 /nfs/dbraw/zinc/65/18/43/492651843.db2.gz FVDCTBXZWGIUCR-ZDUSSCGKSA-N -1 1 364.423 0.936 10 0 FCAEMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2COC2)nc1 ZINC000629630629 492660373 /nfs/dbraw/zinc/66/03/73/492660373.db2.gz FULKWYJFTAEYPE-UHFFFAOYSA-N -1 1 363.461 0.088 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1ncccc1Br ZINC000656937129 492673582 /nfs/dbraw/zinc/67/35/82/492673582.db2.gz GBEIVDOYVXXIEM-QMMMGPOBSA-N -1 1 369.262 0.700 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O)[C@H]1CCOC1 ZINC000656957228 492678437 /nfs/dbraw/zinc/67/84/37/492678437.db2.gz OYSCLZSKGPSMGS-NWANDNLSSA-N -1 1 354.428 0.373 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000631270127 492807019 /nfs/dbraw/zinc/80/70/19/492807019.db2.gz AIFRSESTCVZPBQ-HNNXBMFYSA-N -1 1 369.429 0.082 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O)[C@@H]1CCOC1 ZINC000625521268 492809584 /nfs/dbraw/zinc/80/95/84/492809584.db2.gz HJMVVBZBSJEMSJ-VHDGCEQUSA-N -1 1 354.428 0.521 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)c(C(F)(F)F)n1 ZINC000625693900 492863550 /nfs/dbraw/zinc/86/35/50/492863550.db2.gz ZJDCCHKFBIEWHL-SECBINFHSA-N -1 1 366.365 0.871 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H]3CCC(=O)N(C)C3)c(=O)c2c(OC)c1 ZINC000625738965 492873141 /nfs/dbraw/zinc/87/31/41/492873141.db2.gz UCKLBNONGSYWTE-JTQLQIEISA-N -1 1 359.382 0.896 10 0 FCAEMM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC[C@H]1C(=O)[O-] ZINC000625956690 492906790 /nfs/dbraw/zinc/90/67/90/492906790.db2.gz WSDBFUHDXNISNJ-BXUZGUMPSA-N -1 1 357.370 0.775 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CCN(c3cc(C)nn3C)C2=O)CCCC1 ZINC000632041475 492917687 /nfs/dbraw/zinc/91/76/87/492917687.db2.gz MKSGBFIIPQYVSG-ZDUSSCGKSA-N -1 1 370.475 0.712 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC000632047980 492919207 /nfs/dbraw/zinc/91/92/07/492919207.db2.gz XFBBQKOMGZJJLT-BWZBUEFSSA-N -1 1 352.338 0.716 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCC1 ZINC000632048246 492920001 /nfs/dbraw/zinc/92/00/01/492920001.db2.gz DUJXBGJMGHOMAP-AAEUAGOBSA-N -1 1 356.448 0.402 10 0 FCAEMM Cn1[n-]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)nc1=O ZINC000626084822 492928714 /nfs/dbraw/zinc/92/87/14/492928714.db2.gz RDQGBOBMBUZUNE-UHFFFAOYSA-N -1 1 369.347 0.972 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000645573251 492930432 /nfs/dbraw/zinc/93/04/32/492930432.db2.gz UDJGVFVDQFRRBA-DDTOSNHZSA-N -1 1 356.448 0.258 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC12CC2)[N-]CC(F)F ZINC000632321102 492972643 /nfs/dbraw/zinc/97/26/43/492972643.db2.gz ASOVCUHVLWPLTE-SNVBAGLBSA-N -1 1 360.448 0.813 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652796436 493020012 /nfs/dbraw/zinc/02/00/12/493020012.db2.gz XSAWWHKKXUGWED-BETUJISGSA-N -1 1 355.398 0.865 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000632522797 493020403 /nfs/dbraw/zinc/02/04/03/493020403.db2.gz RKXAXRXCIOHNHH-UHFFFAOYSA-N -1 1 355.324 0.895 10 0 FCAEMM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632548703 493027257 /nfs/dbraw/zinc/02/72/57/493027257.db2.gz VEACBEYLFJTXQC-KGLIPLIRSA-N -1 1 363.439 0.257 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000632771760 493086449 /nfs/dbraw/zinc/08/64/49/493086449.db2.gz SWTBOCYFPLKZJR-LLVKDONJSA-N -1 1 359.354 0.212 10 0 FCAEMM CC[C@@H](C(=O)[O-])N(C)C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000653339867 493095925 /nfs/dbraw/zinc/09/59/25/493095925.db2.gz XISYKVMXBXKDIT-LURJTMIESA-N -1 1 361.284 0.648 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cnccc1-n1ccnn1)C1CCOCC1 ZINC000647275714 493189426 /nfs/dbraw/zinc/18/94/26/493189426.db2.gz BMMIIUMQWLBTKY-OAHLLOKOSA-N -1 1 367.431 0.846 10 0 FCAEMM CN(CCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1 ZINC000659657965 493235385 /nfs/dbraw/zinc/23/53/85/493235385.db2.gz HYHOMQSNUOAHCL-UHFFFAOYSA-N -1 1 365.405 0.745 10 0 FCAEMM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)CCO1 ZINC000681944180 493255690 /nfs/dbraw/zinc/25/56/90/493255690.db2.gz VCNPVIHPSOZLPO-GFCCVEGCSA-N -1 1 360.370 0.337 10 0 FCAEMM C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000669624859 493514836 /nfs/dbraw/zinc/51/48/36/493514836.db2.gz UTEXJUCNGXJTHG-VIFPVBQESA-N -1 1 356.839 0.893 10 0 FCAEMM C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000669624859 493514838 /nfs/dbraw/zinc/51/48/38/493514838.db2.gz UTEXJUCNGXJTHG-VIFPVBQESA-N -1 1 356.839 0.893 10 0 FCAEMM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)O ZINC000676852743 493574067 /nfs/dbraw/zinc/57/40/67/493574067.db2.gz RWFWISNNJSYUCY-MRVPVSSYSA-N -1 1 354.425 0.635 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)o1 ZINC000672184652 493741473 /nfs/dbraw/zinc/74/14/73/493741473.db2.gz YSMOBMYJVCTBFH-IONNQARKSA-N -1 1 356.322 0.980 10 0 FCAEMM CS(=O)(=O)N1CCC(CS(=O)(=O)[N-][C@@H]2CCCC2(F)F)CC1 ZINC000672430695 493766985 /nfs/dbraw/zinc/76/69/85/493766985.db2.gz CNICYEJXZNMWNB-LLVKDONJSA-N -1 1 360.448 0.765 10 0 FCAEMM CCOC(=O)[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccccc1 ZINC000416156671 535654566 /nfs/dbraw/zinc/65/45/66/535654566.db2.gz PHDCMFNUXJUXLO-LLVKDONJSA-N -1 1 361.354 0.973 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H](C)c3nnc[nH]3)s[n-]2)c1 ZINC000441347177 537066244 /nfs/dbraw/zinc/06/62/44/537066244.db2.gz LGTUNFVIMGBIMK-MRVPVSSYSA-N -1 1 373.398 0.570 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106178 546608273 /nfs/dbraw/zinc/60/82/73/546608273.db2.gz RAQFFFYOJACTFG-CYZMBNFOSA-N -1 1 359.448 0.900 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)CC2(OC)CCOCC2)CCSCC1 ZINC000593570077 546717562 /nfs/dbraw/zinc/71/75/62/546717562.db2.gz BGJQNGCSPVFGPX-UHFFFAOYSA-N -1 1 367.489 0.540 10 0 FCAEMM NC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000593817124 546754469 /nfs/dbraw/zinc/75/44/69/546754469.db2.gz WBRQGOOQJZMVHR-OCAPTIKFSA-N -1 1 360.151 0.991 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000593894014 546761387 /nfs/dbraw/zinc/76/13/87/546761387.db2.gz REXKUFXKOMOOOU-DTWKUNHWSA-N -1 1 358.420 0.905 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000593894014 546761392 /nfs/dbraw/zinc/76/13/92/546761392.db2.gz REXKUFXKOMOOOU-DTWKUNHWSA-N -1 1 358.420 0.905 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CCSC1 ZINC000594767638 546821428 /nfs/dbraw/zinc/82/14/28/546821428.db2.gz UQULIZJFXYUUIU-GVXVVHGQSA-N -1 1 353.462 0.006 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CCSC1 ZINC000594767641 546821518 /nfs/dbraw/zinc/82/15/18/546821518.db2.gz UQULIZJFXYUUIU-WZRBSPASSA-N -1 1 353.462 0.006 10 0 FCAEMM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000594767291 546821848 /nfs/dbraw/zinc/82/18/48/546821848.db2.gz CGOZAZOZFSIUGJ-NSHDSACASA-N -1 1 367.221 0.437 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1ccnn1C ZINC000594791934 546825070 /nfs/dbraw/zinc/82/50/70/546825070.db2.gz AKEZWTJMQRSEKF-KBPBESRZSA-N -1 1 359.448 0.759 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CCC1 ZINC000594803159 546827261 /nfs/dbraw/zinc/82/72/61/546827261.db2.gz KAVBROPIPZNYKK-ZDUSSCGKSA-N -1 1 366.439 0.837 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CCC1 ZINC000594803158 546827683 /nfs/dbraw/zinc/82/76/83/546827683.db2.gz KAVBROPIPZNYKK-CYBMUJFWSA-N -1 1 366.439 0.837 10 0 FCAEMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000010675487 546914673 /nfs/dbraw/zinc/91/46/73/546914673.db2.gz LTPLRVOVABOGEO-NSHDSACASA-N -1 1 367.427 0.522 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@H]1n1cccn1 ZINC000550015727 547076764 /nfs/dbraw/zinc/07/67/64/547076764.db2.gz ZZCLAPBNZAEGDM-YRGRVCCFSA-N -1 1 369.399 0.960 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CCOC[C@@H]1CO ZINC000236498082 664036832 /nfs/dbraw/zinc/03/68/32/664036832.db2.gz IDVBMDJQANOCQX-VIFPVBQESA-N -1 1 363.151 0.830 10 0 FCAEMM CC[S@@](=O)CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000311201864 664080433 /nfs/dbraw/zinc/08/04/33/664080433.db2.gz KVVNGGWKYCZLOR-QGZVFWFLSA-N -1 1 358.283 0.538 10 0 FCAEMM CC1(C)[C@H](N2CCOCC2)C[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867451337 664211302 /nfs/dbraw/zinc/21/13/02/664211302.db2.gz FBJMAMNJFVOKSN-QWHCGFSZSA-N -1 1 365.521 0.582 10 0 FCAEMM CCc1c(C(=O)[N-]NC(=O)c2cn[nH]n2)nnn1-c1cccc(Cl)c1 ZINC000067304878 664472128 /nfs/dbraw/zinc/47/21/28/664472128.db2.gz SKLBXUICJZJWQC-UHFFFAOYSA-N -1 1 360.765 0.676 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000866960877 665249420 /nfs/dbraw/zinc/24/94/20/665249420.db2.gz VPTKQQPSOSQDEM-DMZKTXOQSA-N -1 1 359.473 0.853 10 0 FCAEMM CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000263412430 665257943 /nfs/dbraw/zinc/25/79/43/665257943.db2.gz JFUVKQBVMXVJGG-CBINBANVSA-N -1 1 367.368 0.743 10 0 FCAEMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000921378091 666442017 /nfs/dbraw/zinc/44/20/17/666442017.db2.gz NMUCPZFRYLIPQN-CHWSQXEVSA-N -1 1 369.505 0.642 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)OC)CC1=O ZINC000921381747 666442579 /nfs/dbraw/zinc/44/25/79/666442579.db2.gz MIZIQTBYLWMMMB-UONOGXRCSA-N -1 1 372.418 0.450 10 0 FCAEMM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000921383243 666442980 /nfs/dbraw/zinc/44/29/80/666442980.db2.gz RXUKJZIKZKPWNS-MJBXVCDLSA-N -1 1 350.481 0.604 10 0 FCAEMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913499094 666530750 /nfs/dbraw/zinc/53/07/50/666530750.db2.gz MLGHLDBXJHNQRQ-UWVGGRQHSA-N -1 1 350.345 0.666 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CSCN2C(C)=O)cc1 ZINC000730310772 666626597 /nfs/dbraw/zinc/62/65/97/666626597.db2.gz KYIRLYLCCVBWEE-CYBMUJFWSA-N -1 1 366.395 0.416 10 0 FCAEMM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000730311954 666627058 /nfs/dbraw/zinc/62/70/58/666627058.db2.gz SOSRPCBBHZXFFC-LBPRGKRZSA-N -1 1 350.396 0.798 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)CCN1c1cccc(Cl)c1 ZINC000914229161 666727193 /nfs/dbraw/zinc/72/71/93/666727193.db2.gz RLPVDNFCKOTBSG-JHJVBQTASA-N -1 1 360.819 0.124 10 0 FCAEMM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000914372865 666747534 /nfs/dbraw/zinc/74/75/34/666747534.db2.gz LJJTXQXPFBZFMK-SECBINFHSA-N -1 1 369.212 0.115 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NCCN1CCCS1(=O)=O ZINC000915440827 666855368 /nfs/dbraw/zinc/85/53/68/666855368.db2.gz XXPNRCYJKZCBBS-UHFFFAOYSA-N -1 1 363.386 0.548 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC000732089989 666856052 /nfs/dbraw/zinc/85/60/52/666856052.db2.gz FANPMIFTKCKXNR-CYBMUJFWSA-N -1 1 365.415 0.136 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)o1 ZINC000732975470 666966871 /nfs/dbraw/zinc/96/68/71/666966871.db2.gz LFXFXZKFZAPDGN-UHFFFAOYSA-N -1 1 373.431 0.927 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)c(F)c1 ZINC000917050914 667047456 /nfs/dbraw/zinc/04/74/56/667047456.db2.gz LOIOKLUQBKLGCZ-LLVKDONJSA-N -1 1 361.414 0.642 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1cc2cc(F)ccc2o1 ZINC000918379202 667117192 /nfs/dbraw/zinc/11/71/92/667117192.db2.gz WJBIBVPUOVJPBT-UHFFFAOYSA-N -1 1 370.402 0.951 10 0 FCAEMM CSC1CCC(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000920823590 667256302 /nfs/dbraw/zinc/25/63/02/667256302.db2.gz VVKKIRZYPWIRDK-UHFFFAOYSA-N -1 1 361.489 0.284 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@H]2CC(=O)N(C)C2)c(C(F)(F)F)n1 ZINC000921058135 667266571 /nfs/dbraw/zinc/26/65/71/667266571.db2.gz FSXQGJCSHAORBA-QMMMGPOBSA-N -1 1 354.354 0.586 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC000921855496 667520887 /nfs/dbraw/zinc/52/08/87/667520887.db2.gz GKXJIWMQQWDQEW-CHWSQXEVSA-N -1 1 373.441 0.511 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]CC(=O)N=c1ccn(C)[nH]1)c1ccccc1 ZINC000451461604 667556891 /nfs/dbraw/zinc/55/68/91/667556891.db2.gz BDCOZWMPBAHIJB-CYBMUJFWSA-N -1 1 352.416 0.088 10 0 FCAEMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000705325791 667775830 /nfs/dbraw/zinc/77/58/30/667775830.db2.gz MXTNRIWBZKJRCB-JTQLQIEISA-N -1 1 356.242 0.167 10 0 FCAEMM CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923254537 667817257 /nfs/dbraw/zinc/81/72/57/667817257.db2.gz ATHUVQOKKQCFBM-SRVKXCTJSA-N -1 1 370.368 0.759 10 0 FCAEMM Cn1[n-]c(COC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)nc1=O ZINC000765394195 668005487 /nfs/dbraw/zinc/00/54/87/668005487.db2.gz YQDARGZUHRNGMM-YVMONPNESA-N -1 1 352.372 0.237 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)nc1=O ZINC000765458309 668007236 /nfs/dbraw/zinc/00/72/36/668007236.db2.gz OMBLGNXPZLTQOV-VIFPVBQESA-N -1 1 352.297 0.483 10 0 FCAEMM Cc1cc(F)ccc1S(=O)(=O)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769831149 668156094 /nfs/dbraw/zinc/15/60/94/668156094.db2.gz DAAXJGUFDPHZAF-UHFFFAOYSA-N -1 1 352.351 0.822 10 0 FCAEMM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000771606120 668261033 /nfs/dbraw/zinc/26/10/33/668261033.db2.gz CXFKPSATPOWQHH-UHFFFAOYSA-N -1 1 357.294 0.958 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC(SCC(=O)NN2CC(=O)[N-]C2=O)CC1 ZINC000778502309 668372866 /nfs/dbraw/zinc/37/28/66/668372866.db2.gz KFMIJWWZDXPFTF-UHFFFAOYSA-N -1 1 372.447 0.702 10 0 FCAEMM Cn1cc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)nn1 ZINC000782983789 668592034 /nfs/dbraw/zinc/59/20/34/668592034.db2.gz NHVZIFSIYSPUIC-UHFFFAOYSA-N -1 1 364.836 0.351 10 0 FCAEMM COC(=O)CNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785617 668725907 /nfs/dbraw/zinc/72/59/07/668725907.db2.gz KPEXNHYVGVPMBK-AUTRQRHGSA-N -1 1 353.341 0.053 10 0 FCAEMM C[C@H]1C[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000786197752 668749706 /nfs/dbraw/zinc/74/97/06/668749706.db2.gz MRWQOEJJKGEHFD-VHSXEESVSA-N -1 1 360.388 0.015 10 0 FCAEMM C[C@](O)(Cn1ccccc1=O)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000790681206 668880596 /nfs/dbraw/zinc/88/05/96/668880596.db2.gz VHWGIALZERDZDT-ZDUSSCGKSA-N -1 1 350.293 0.211 10 0 FCAEMM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793139343 668912891 /nfs/dbraw/zinc/91/28/91/668912891.db2.gz FCVZGNDKBABTHH-CYBMUJFWSA-N -1 1 366.399 0.336 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469068 668929228 /nfs/dbraw/zinc/92/92/28/668929228.db2.gz NYYPXPFTQJNEBL-UWVGGRQHSA-N -1 1 354.325 0.218 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCS(C)(=O)=O)c(F)cc1Cl ZINC000795800356 669062668 /nfs/dbraw/zinc/06/26/68/669062668.db2.gz CRGRBFXKXSQHNX-UHFFFAOYSA-N -1 1 373.811 0.589 10 0 FCAEMM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795894418 669069394 /nfs/dbraw/zinc/06/93/94/669069394.db2.gz BOCYFVHUIYDBOI-QMMMGPOBSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)OC)c(F)cc1Cl ZINC000795910862 669070615 /nfs/dbraw/zinc/07/06/15/669070615.db2.gz GEGSFUPBHXVZPM-VIFPVBQESA-N -1 1 369.754 0.078 10 0 FCAEMM CCn1cnc(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000798462779 669239678 /nfs/dbraw/zinc/23/96/78/669239678.db2.gz OYQNZKNEWKRETM-UHFFFAOYSA-N -1 1 368.381 0.982 10 0 FCAEMM CS(=O)(=O)NCC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000804326832 669375187 /nfs/dbraw/zinc/37/51/87/669375187.db2.gz CHJBTXSPWNRNHH-UHFFFAOYSA-N -1 1 369.472 0.419 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H](OC(F)F)C3)ccnc1-2 ZINC000806966734 669456439 /nfs/dbraw/zinc/45/64/39/669456439.db2.gz OTAHUYNZHUSAIP-SECBINFHSA-N -1 1 353.329 0.511 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000826833641 669520123 /nfs/dbraw/zinc/52/01/23/669520123.db2.gz GPBBPXGKZTTXCL-SNVBAGLBSA-N -1 1 352.395 0.547 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000827578650 669580027 /nfs/dbraw/zinc/58/00/27/669580027.db2.gz CFTDKMSNYLUUCQ-UHFFFAOYSA-N -1 1 368.356 0.496 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O)C1CCOCC1 ZINC000827625681 669584695 /nfs/dbraw/zinc/58/46/95/669584695.db2.gz PSAVGIZQIXOUNU-UAGQMJEPSA-N -1 1 371.455 0.842 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O)C1CCOCC1 ZINC000827625679 669584726 /nfs/dbraw/zinc/58/47/26/669584726.db2.gz PSAVGIZQIXOUNU-OIISXLGYSA-N -1 1 371.455 0.842 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1ccnn1C ZINC000828132632 669618981 /nfs/dbraw/zinc/61/89/81/669618981.db2.gz LFXJNOMTDKTULP-ZDUSSCGKSA-N -1 1 353.404 0.219 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)[C@@H]1CCOC1 ZINC000867496320 670125709 /nfs/dbraw/zinc/12/57/09/670125709.db2.gz ABHYGXKUHISNBD-SFYZADRCSA-N -1 1 354.226 0.502 10 0 FCAEMM Cc1ccc(S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)nn1 ZINC000867266461 670605553 /nfs/dbraw/zinc/60/55/53/670605553.db2.gz RGEKQXCSDNQVKB-SNVBAGLBSA-N -1 1 354.354 0.326 10 0 FCAEMM COCC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000867285275 670633550 /nfs/dbraw/zinc/63/35/50/670633550.db2.gz FSHZSAZOQVTXMX-SSDOTTSWSA-N -1 1 359.326 0.295 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000843014001 670766116 /nfs/dbraw/zinc/76/61/16/670766116.db2.gz MEFBZKDIQGHSOD-LLVKDONJSA-N -1 1 371.425 0.801 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCNC(=O)c2ccsc2)CCC1 ZINC000843018036 670767841 /nfs/dbraw/zinc/76/78/41/670767841.db2.gz MZKVWTJVESRINP-UHFFFAOYSA-N -1 1 373.500 0.798 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCC1 ZINC000843017737 670768071 /nfs/dbraw/zinc/76/80/71/670768071.db2.gz AROATIWKAKNZMW-LBPRGKRZSA-N -1 1 359.492 0.564 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc([S@@](C)=O)cc2)CCC1 ZINC000843018793 670768671 /nfs/dbraw/zinc/76/86/71/670768671.db2.gz DYFXGCVKFWFFGU-JOCHJYFZSA-N -1 1 358.485 0.968 10 0 FCAEMM CN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843018372 670768688 /nfs/dbraw/zinc/76/86/88/670768688.db2.gz OEIQTHPNKOTNQF-UHFFFAOYSA-N -1 1 367.471 0.932 10 0 FCAEMM COCCn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)ccc1=O ZINC000843019123 670768754 /nfs/dbraw/zinc/76/87/54/670768754.db2.gz KVFXPDMOKVNQSP-UHFFFAOYSA-N -1 1 371.459 0.039 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000844125964 670900353 /nfs/dbraw/zinc/90/03/53/670900353.db2.gz OJTKVNSHZDBDHS-NEPJUHHUSA-N -1 1 351.403 0.553 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCC1 ZINC000849231353 671323436 /nfs/dbraw/zinc/32/34/36/671323436.db2.gz CAFLTFMHVVZIDG-UWVGGRQHSA-N -1 1 372.365 0.712 10 0 FCAEMM CCS(=O)(=O)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000849372717 671330256 /nfs/dbraw/zinc/33/02/56/671330256.db2.gz FTKOIJWIFVMDJK-UHFFFAOYSA-N -1 1 357.251 0.557 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(Br)o1 ZINC000849426981 671341890 /nfs/dbraw/zinc/34/18/90/671341890.db2.gz FUJRYAUVQWVURI-NSHDSACASA-N -1 1 370.221 0.488 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000851501664 671445017 /nfs/dbraw/zinc/44/50/17/671445017.db2.gz ARUJRPBHKCYPNF-CQSZACIVSA-N -1 1 350.481 0.604 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncnc1 ZINC000851703500 671461832 /nfs/dbraw/zinc/46/18/32/671461832.db2.gz PKTGZRSTFZRRLN-GXSJLCMTSA-N -1 1 360.292 0.142 10 0 FCAEMM CCc1ocnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704631 671462583 /nfs/dbraw/zinc/46/25/83/671462583.db2.gz YWLZQLGSYXNHTO-XVKPBYJWSA-N -1 1 363.292 0.973 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)on1 ZINC000851812883 671469734 /nfs/dbraw/zinc/46/97/34/671469734.db2.gz MTILMNNHMBVICZ-UHFFFAOYSA-N -1 1 365.209 0.966 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccncc1 ZINC000852959080 671534184 /nfs/dbraw/zinc/53/41/84/671534184.db2.gz WYIMMYWUHUJOJF-CMPLNLGQSA-N -1 1 359.304 0.747 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N1CCCCC1)OC ZINC000853205012 671541741 /nfs/dbraw/zinc/54/17/41/671541741.db2.gz BCTZNWDRSARKHU-UONOGXRCSA-N -1 1 350.481 0.604 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCCC1)OC ZINC000853205011 671541750 /nfs/dbraw/zinc/54/17/50/671541750.db2.gz BCTZNWDRSARKHU-KGLIPLIRSA-N -1 1 350.481 0.604 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000854469057 671580212 /nfs/dbraw/zinc/58/02/12/671580212.db2.gz MTDFYCURYHNWRL-XKNYDFJKSA-N -1 1 350.341 0.314 10 0 FCAEMM CO[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000856414281 671687187 /nfs/dbraw/zinc/68/71/87/671687187.db2.gz FNLQUBXNIRIJBP-WISYIIOYSA-N -1 1 352.353 0.953 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)o1 ZINC000856763707 671700853 /nfs/dbraw/zinc/70/08/53/671700853.db2.gz QHBVNOSCIKNCCR-UHFFFAOYSA-N -1 1 374.293 0.297 10 0 FCAEMM CN1CCN(CCNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC000858216666 671753599 /nfs/dbraw/zinc/75/35/99/671753599.db2.gz VJZALRLOEZEAGX-UHFFFAOYSA-N -1 1 362.352 0.435 10 0 FCAEMM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858947026 671784533 /nfs/dbraw/zinc/78/45/33/671784533.db2.gz IPWNVUMPGZNHNY-SSDOTTSWSA-N -1 1 364.200 0.942 10 0 FCAEMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859095093 671793233 /nfs/dbraw/zinc/79/32/33/671793233.db2.gz KSTKFZGNDILBEC-UHFFFAOYSA-N -1 1 369.216 0.533 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859182678 671798703 /nfs/dbraw/zinc/79/87/03/671798703.db2.gz YHKPWCGROOHPER-RQJHMYQMSA-N -1 1 366.212 0.916 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)n1 ZINC000859251774 671804552 /nfs/dbraw/zinc/80/45/52/671804552.db2.gz IOFDYBJRLDNQJA-UHFFFAOYSA-N -1 1 360.342 0.841 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(Br)n1C ZINC000859286690 671810117 /nfs/dbraw/zinc/81/01/17/671810117.db2.gz IXUQDUZQXTZJJP-DTWKUNHWSA-N -1 1 368.253 0.309 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000859341073 671817485 /nfs/dbraw/zinc/81/74/85/671817485.db2.gz AYVNMMRCVQZVOG-IUCAKERBSA-N -1 1 351.812 0.700 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000859343262 671817731 /nfs/dbraw/zinc/81/77/31/671817731.db2.gz YZDSDRDQHVBRID-UWVGGRQHSA-N -1 1 365.839 0.710 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CS(=O)(=O)N(C)C)c1 ZINC000861145916 671940828 /nfs/dbraw/zinc/94/08/28/671940828.db2.gz JPLQWFJNVGQDHP-KPWVOAKYSA-N -1 1 363.457 0.626 10 0 FCAEMM COc1cncc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000863532686 672134158 /nfs/dbraw/zinc/13/41/58/672134158.db2.gz MIPRVRRLAOEODK-GXSJLCMTSA-N -1 1 362.308 0.581 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000866441691 672274117 /nfs/dbraw/zinc/27/41/17/672274117.db2.gz RIQLAQXSINFQQC-OABGYEMISA-N -1 1 355.526 0.826 10 0 FCAEMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866558329 672282381 /nfs/dbraw/zinc/28/23/81/672282381.db2.gz ZTWOVADJDYVWIX-AMXDTQDGSA-N -1 1 359.473 0.989 10 0 FCAEMM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866834747 672316290 /nfs/dbraw/zinc/31/62/90/672316290.db2.gz YMOTZYROVSIZKJ-VIFPVBQESA-N -1 1 359.370 0.751 10 0 FCAEMM CCN1C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000867460686 672319782 /nfs/dbraw/zinc/31/97/82/672319782.db2.gz FLHHBEBYRKFHAE-AMXDTQDGSA-N -1 1 359.473 0.846 10 0 FCAEMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@@H](C)CO1 ZINC000867503112 672327204 /nfs/dbraw/zinc/32/72/04/672327204.db2.gz BIGZHDPERRKSSE-UWVGGRQHSA-N -1 1 370.397 0.826 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCN1C[C@H]2CCCCN2C1=O ZINC000867529083 672332004 /nfs/dbraw/zinc/33/20/04/672332004.db2.gz HIOGVHRJAPUYDB-FIKIJFGZSA-N -1 1 352.482 0.229 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCOCC(=O)OC(C)(C)C)c1Cl ZINC000867604220 672346584 /nfs/dbraw/zinc/34/65/84/672346584.db2.gz ORHAZBMJWFKFSC-UHFFFAOYSA-N -1 1 353.828 0.710 10 0 FCAEMM CN1CCOC[C@@H]1CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868812081 672410749 /nfs/dbraw/zinc/41/07/49/672410749.db2.gz VAJYIZUYZAWHBM-GWCFXTLKSA-N -1 1 352.357 0.170 10 0 FCAEMM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869390561 672430341 /nfs/dbraw/zinc/43/03/41/672430341.db2.gz XBNGQKBBCWXGRS-VIFPVBQESA-N -1 1 356.322 0.089 10 0 FCAEMM CO[C@@H]1COCC[C@H]1CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869530358 672438328 /nfs/dbraw/zinc/43/83/28/672438328.db2.gz NPHDQLSCMDXPAX-GXSJLCMTSA-N -1 1 355.309 0.609 10 0 FCAEMM CCOC(=O)[C@]1(C)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCO1 ZINC000871220292 672536633 /nfs/dbraw/zinc/53/66/33/672536633.db2.gz AGPYYMWIXMAJIQ-HNNXBMFYSA-N -1 1 350.400 0.812 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCC2 ZINC000871671234 672565986 /nfs/dbraw/zinc/56/59/86/672565986.db2.gz JKXKSUZBFAIIOL-ZDUSSCGKSA-N -1 1 354.428 0.839 10 0 FCAEMM Cn1ncc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C(F)(F)F ZINC000872005462 672593337 /nfs/dbraw/zinc/59/33/37/672593337.db2.gz JIWYIDKXRUZECE-UHFFFAOYSA-N -1 1 360.321 0.895 10 0 FCAEMM CC(=O)N1CCC(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 ZINC000872447108 672618682 /nfs/dbraw/zinc/61/86/82/672618682.db2.gz CMGIZAKMUOFYAY-OAQYLSRUSA-N -1 1 353.510 0.976 10 0 FCAEMM COC(=O)[C@@H]1C[C@H]1[C@@H]1NC(=O)N(CCc2c(F)cc([O-])cc2F)C1=O ZINC000925461923 673792740 /nfs/dbraw/zinc/79/27/40/673792740.db2.gz GIDFFKRPOGAFDH-BREBYQMCSA-N -1 1 354.309 0.942 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[NH+](C)C ZINC000902065998 675824993 /nfs/dbraw/zinc/82/49/93/675824993.db2.gz OKTTUIDATSNWMI-BBBLOLIVSA-N -1 1 353.341 0.449 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)nc2n1 ZINC000142633269 1168464878 /nfs/dbraw/zinc/46/48/78/1168464878.db2.gz IXSQFGRJDLYJHV-SECBINFHSA-N -1 1 366.337 0.349 10 0 FCAEMM CCNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001719608373 1170068646 /nfs/dbraw/zinc/06/86/46/1170068646.db2.gz QZWXKAPRWCWGLL-OLZOCXBDSA-N -1 1 362.430 0.813 10 0 FCAEMM C[C@@]12CN(C(=O)CCCC(N)=O)C[C@@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001719680576 1179345027 /nfs/dbraw/zinc/34/50/27/1179345027.db2.gz NHMYTQBFYNJINT-XIKOKIGWSA-N -1 1 360.414 0.363 10 0 FCAEMM COC(=O)C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001687389569 1187937194 /nfs/dbraw/zinc/93/71/94/1187937194.db2.gz XLTHTLICVKMIAX-UHFFFAOYSA-N -1 1 350.375 0.350 10 0 FCAEMM COC1(OC)CC(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687390672 1188345435 /nfs/dbraw/zinc/34/54/35/1188345435.db2.gz GLQBVYLOHNDAKY-UHFFFAOYSA-N -1 1 352.391 0.453 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001687390772 1188352292 /nfs/dbraw/zinc/35/22/92/1188352292.db2.gz JUEMXJWEUFKVDG-BLLLJJGKSA-N -1 1 362.430 0.851 10 0 FCAEMM CC[C@@]1(CO)CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687391164 1188352355 /nfs/dbraw/zinc/35/23/55/1188352355.db2.gz UJBGBNJWDTZFKW-QGZVFWFLSA-N -1 1 350.419 0.949 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(-c2ccn(C)n2)no1 ZINC000904873755 1195551831 /nfs/dbraw/zinc/55/18/31/1195551831.db2.gz UAQXIUCULUVKJD-UHFFFAOYSA-N -1 1 371.401 0.896 10 0 FCAEMM O=C(CO)NCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000911195983 1195918686 /nfs/dbraw/zinc/91/86/86/1195918686.db2.gz CXQHMMXJOZEDCM-NSHDSACASA-N -1 1 373.331 0.121 10 0 FCAEMM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000593859330 1196666756 /nfs/dbraw/zinc/66/67/56/1196666756.db2.gz ZOJCMSBVSRIYSZ-SECBINFHSA-N -1 1 369.374 0.517 10 0 FCAEMM CN(C)Cc1cc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)ccc1F ZINC000734444091 1197771048 /nfs/dbraw/zinc/77/10/48/1197771048.db2.gz LGXYEYVVOOMPJV-UHFFFAOYSA-N -1 1 358.377 0.588 10 0 FCAEMM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762371475 1197994849 /nfs/dbraw/zinc/99/48/49/1197994849.db2.gz UQWITTZRUZTPMU-OAHLLOKOSA-N -1 1 366.425 0.804 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)nc1=O ZINC000772360603 1200727558 /nfs/dbraw/zinc/72/75/58/1200727558.db2.gz XOPIKUVSRMAZFP-AVGNSLFASA-N -1 1 358.402 0.779 10 0 FCAEMM CC(C)Oc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1C(N)=O ZINC000790160451 1201056473 /nfs/dbraw/zinc/05/64/73/1201056473.db2.gz AGCRGFAGMRFXDB-UHFFFAOYSA-N -1 1 360.370 0.452 10 0 FCAEMM Cc1nnc(CN2CCN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)[nH]1 ZINC000806491334 1202742129 /nfs/dbraw/zinc/74/21/29/1202742129.db2.gz INNXVOPWBMELRU-UHFFFAOYSA-N -1 1 355.406 0.118 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@]3(O)CCCC(C)(C)C3)ccnc1-2 ZINC000806992353 1202801371 /nfs/dbraw/zinc/80/13/71/1202801371.db2.gz QNVXQNCMKQWVBC-GOSISDBHSA-N -1 1 359.430 0.728 10 0 FCAEMM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807318797 1202820731 /nfs/dbraw/zinc/82/07/31/1202820731.db2.gz JXYHXQAEHWJCJG-GZMMTYOYSA-N -1 1 371.319 0.459 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000813445492 1202994934 /nfs/dbraw/zinc/99/49/34/1202994934.db2.gz YOHOCDXIXBPZHD-WDEREUQCSA-N -1 1 370.385 0.305 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1C ZINC000816492659 1203069226 /nfs/dbraw/zinc/06/92/26/1203069226.db2.gz YLTXATCUBYZPHX-UHFFFAOYSA-N -1 1 358.402 0.057 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC001135921912 1203105548 /nfs/dbraw/zinc/10/55/48/1203105548.db2.gz UXKAZHLERGSRFC-ZDUSSCGKSA-N -1 1 359.426 0.938 10 0 FCAEMM COCCNC(=O)CN1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001135918665 1203105899 /nfs/dbraw/zinc/10/58/99/1203105899.db2.gz ACZOGPQFILNGQU-UHFFFAOYSA-N -1 1 363.414 0.034 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)ccnc1-2 ZINC000823057325 1203247322 /nfs/dbraw/zinc/24/73/22/1203247322.db2.gz ATSDUPPTTBAZMW-KRWDZBQOSA-N -1 1 361.402 0.964 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cnn(-c2cccnc2)c1 ZINC001175214837 1206301591 /nfs/dbraw/zinc/30/15/91/1206301591.db2.gz SKLPAVINXFEKJJ-UHFFFAOYSA-N -1 1 352.354 0.766 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001175214878 1206301605 /nfs/dbraw/zinc/30/16/05/1206301605.db2.gz SPKPAWCYTNAMSV-CQSZACIVSA-N -1 1 372.381 0.655 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC001176594350 1206315437 /nfs/dbraw/zinc/31/54/37/1206315437.db2.gz PVVVKOFHPLRPQI-UHFFFAOYSA-N -1 1 368.401 0.783 10 0 FCAEMM COC[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1nn[n-]n1 ZINC001177828869 1206347148 /nfs/dbraw/zinc/34/71/48/1206347148.db2.gz RGGSGNRBQOMFQU-CQSZACIVSA-N -1 1 358.402 0.556 10 0 FCAEMM COc1cc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)ccc1OCC(N)=O ZINC001177866761 1206347615 /nfs/dbraw/zinc/34/76/15/1206347615.db2.gz QXPYACRVBFOCMV-LLVKDONJSA-N -1 1 374.401 0.167 10 0 FCAEMM CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]2C[C@H]21 ZINC001179739168 1206385166 /nfs/dbraw/zinc/38/51/66/1206385166.db2.gz GCXBFYLONDPSOM-NWDGAFQWSA-N -1 1 364.402 0.147 10 0 FCAEMM COC[C@]1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)CCOC1 ZINC001489446919 1208861770 /nfs/dbraw/zinc/86/17/70/1208861770.db2.gz YAJCUNFFBZTWCU-SNUQEOBHSA-N -1 1 363.414 0.417 10 0 FCAEMM CCCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001489515853 1208872288 /nfs/dbraw/zinc/87/22/88/1208872288.db2.gz RERAXOHHZQLQAQ-UMVBOHGHSA-N -1 1 365.430 0.948 10 0 FCAEMM COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001489542227 1208902295 /nfs/dbraw/zinc/90/22/95/1208902295.db2.gz BBDAFILVRPTPSW-OUCADQQQSA-N -1 1 351.403 0.415 10 0 FCAEMM CCCCC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21 ZINC001489635407 1209067641 /nfs/dbraw/zinc/06/76/41/1209067641.db2.gz NQVBOLXNAMDADY-ZIAGYGMSSA-N -1 1 362.430 0.176 10 0 FCAEMM CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001490113007 1209238769 /nfs/dbraw/zinc/23/87/69/1209238769.db2.gz NJXGISIVYZNTIB-BBBLOLIVSA-N -1 1 368.390 0.041 10 0 FCAEMM CC(C)C[C@@H](C(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001490782764 1209430359 /nfs/dbraw/zinc/43/03/59/1209430359.db2.gz DWWLGYQIRFPVRB-RQJABVFESA-N -1 1 374.441 0.797 10 0 FCAEMM CC(C)C[C@H](C(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001490782767 1209430435 /nfs/dbraw/zinc/43/04/35/1209430435.db2.gz DWWLGYQIRFPVRB-SYQHCUMBSA-N -1 1 374.441 0.797 10 0 FCAEMM O=C([O-])C1(CNC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)CCC1 ZINC000851680703 1209510777 /nfs/dbraw/zinc/51/07/77/1209510777.db2.gz IWKSOOAUVXBHIK-UHFFFAOYSA-N -1 1 357.370 0.459 10 0 FCAEMM O=C([O-])C1(CNC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCC1 ZINC000851680703 1209510785 /nfs/dbraw/zinc/51/07/85/1209510785.db2.gz IWKSOOAUVXBHIK-UHFFFAOYSA-N -1 1 357.370 0.459 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc(C)n1 ZINC000851703224 1209517387 /nfs/dbraw/zinc/51/73/87/1209517387.db2.gz OIJLGRPNBUWTMI-KOLCDFICSA-N -1 1 374.319 0.830 10 0 FCAEMM NC(=O)c1ccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852735846 1209561303 /nfs/dbraw/zinc/56/13/03/1209561303.db2.gz JZZNMMKMMQOCBD-RYUDHWBXSA-N -1 1 373.331 0.882 10 0 FCAEMM C[C@@H]1CCN(CCn2nc3ccccn3c2=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757358 1209562342 /nfs/dbraw/zinc/56/23/42/1209562342.db2.gz CRMIOYXXFWQEBQ-NEPJUHHUSA-N -1 1 371.363 0.885 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C\c1cnccn1 ZINC000852959192 1209579743 /nfs/dbraw/zinc/57/97/43/1209579743.db2.gz XYRQENRZQFFPFO-FQVWWYAISA-N -1 1 372.303 0.613 10 0 FCAEMM NC(=O)NCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170812 1209698250 /nfs/dbraw/zinc/69/82/50/1209698250.db2.gz MUWXVRHBBHGSGN-VXGBXAGGSA-N -1 1 372.347 0.718 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858073881 1209774651 /nfs/dbraw/zinc/77/46/51/1209774651.db2.gz DSTGIIHLWKCVDJ-HNNXBMFYSA-N -1 1 370.409 0.879 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CNc2nc3[nH][n-]cc-3c(=O)n2)CCOCC1 ZINC000858718343 1209801173 /nfs/dbraw/zinc/80/11/73/1209801173.db2.gz KCUBPBJOSKJZJY-UHFFFAOYSA-N -1 1 364.406 0.918 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)COCc1cc[nH]c(=O)c1 ZINC000859382294 1209819883 /nfs/dbraw/zinc/81/98/83/1209819883.db2.gz QDSZMMLOVIHSCE-UHFFFAOYSA-N -1 1 357.370 0.985 10 0 FCAEMM O=C(COC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N-]C(=O)c1ccccc1 ZINC000860127665 1209840173 /nfs/dbraw/zinc/84/01/73/1209840173.db2.gz WCUUSVPEWFSZMU-LBPRGKRZSA-N -1 1 358.354 0.428 10 0 FCAEMM CN1CC(=O)Nc2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)cnc21 ZINC000861509561 1209868923 /nfs/dbraw/zinc/86/89/23/1209868923.db2.gz NPQMKEBNTDWAAG-SECBINFHSA-N -1 1 358.358 0.578 10 0 FCAEMM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000545895832 1211425857 /nfs/dbraw/zinc/42/58/57/1211425857.db2.gz JCORHHRMTURYRM-ZDUSSCGKSA-N -1 1 358.402 0.734 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N(CCO)CCN1CCOCC1 ZINC000927784065 1211581208 /nfs/dbraw/zinc/58/12/08/1211581208.db2.gz HCSWBSWDXCYXOB-UHFFFAOYSA-N -1 1 373.400 0.549 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000927942511 1211593792 /nfs/dbraw/zinc/59/37/92/1211593792.db2.gz JVGWOPIXADXFQQ-BMFZPTHFSA-N -1 1 361.442 0.993 10 0 FCAEMM CC1(C)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001490833418 1211605854 /nfs/dbraw/zinc/60/58/54/1211605854.db2.gz FUSKZMOWBXGHOS-RQJABVFESA-N -1 1 374.441 0.221 10 0 FCAEMM CC(C)NC(=O)C(=O)N1CCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929099946 1211617188 /nfs/dbraw/zinc/61/71/88/1211617188.db2.gz MFPTYWFHQUNUCQ-AWEZNQCLSA-N -1 1 361.442 0.880 10 0 FCAEMM Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)nc2n1 ZINC000956872984 1213218819 /nfs/dbraw/zinc/21/88/19/1213218819.db2.gz LPCZNHLBYQSJNO-LLVKDONJSA-N -1 1 357.374 0.778 10 0 FCAEMM COc1cc(CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc(OC)c1O ZINC000826834253 1218908783 /nfs/dbraw/zinc/90/87/83/1218908783.db2.gz OOVHOGWJJSBRKU-ZDUSSCGKSA-N -1 1 363.374 0.455 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000726865756 1219657672 /nfs/dbraw/zinc/65/76/72/1219657672.db2.gz FMWIXXURNIHZBI-UHFFFAOYSA-N -1 1 368.397 0.376 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]3C)CC2)n1 ZINC001117059247 1221449967 /nfs/dbraw/zinc/44/99/67/1221449967.db2.gz BJFUUTJQSRQDSJ-CMPLNLGQSA-N -1 1 363.418 0.460 10 0 FCAEMM Cc1noc(C)c1CCCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001117427926 1221544748 /nfs/dbraw/zinc/54/47/48/1221544748.db2.gz KDAZGLUCGKQXEF-UHFFFAOYSA-N -1 1 356.386 0.634 10 0 FCAEMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(n3cnnn3)CCOCC2)c1 ZINC001118411262 1221776437 /nfs/dbraw/zinc/77/64/37/1221776437.db2.gz ASDZUVVESIMIMH-UHFFFAOYSA-N -1 1 360.370 0.873 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001118727242 1221824670 /nfs/dbraw/zinc/82/46/70/1221824670.db2.gz IMCPIPAMRQYNGQ-DZGCQCFKSA-N -1 1 372.381 0.542 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cc(OCC(F)F)ccn1 ZINC001137872716 1222442970 /nfs/dbraw/zinc/44/29/70/1222442970.db2.gz CFFOLHVXDDWNQK-UHFFFAOYSA-N -1 1 366.324 0.872 10 0 FCAEMM O=C(Cn1nnnc1-c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001138803295 1222525688 /nfs/dbraw/zinc/52/56/88/1222525688.db2.gz AAISVZNFWXFQKY-GFCCVEGCSA-N -1 1 355.358 0.835 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(O)(c2cccc3ccccc32)C1 ZINC000848255841 1245361963 /nfs/dbraw/zinc/36/19/63/1245361963.db2.gz CAFKSLIHDOFWIZ-UHFFFAOYSA-N -1 1 365.389 0.810 10 0 FCAEMM Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001328248063 1265512766 /nfs/dbraw/zinc/51/27/66/1265512766.db2.gz PMLIUCFLXNDAQL-ZDUSSCGKSA-N -1 1 361.406 0.578 10 0 FCAEMM CC(C)CO[N-]C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC001328308856 1265529159 /nfs/dbraw/zinc/52/91/59/1265529159.db2.gz NVUHVSBZNLBIPV-QGZVFWFLSA-N -1 1 362.474 0.623 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001516529286 1265554153 /nfs/dbraw/zinc/55/41/53/1265554153.db2.gz IVOCKKBKWWPINC-UHFFFAOYSA-N -1 1 371.380 0.026 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001516529286 1265554162 /nfs/dbraw/zinc/55/41/62/1265554162.db2.gz IVOCKKBKWWPINC-UHFFFAOYSA-N -1 1 371.380 0.026 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccc(N4CCNC4=O)c3)nc2n1 ZINC001328674911 1265595147 /nfs/dbraw/zinc/59/51/47/1265595147.db2.gz JRGUXTDAVCXUBG-UHFFFAOYSA-N -1 1 353.342 0.508 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)OC)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001519702863 1265754755 /nfs/dbraw/zinc/75/47/55/1265754755.db2.gz IBGGTVOYHMDKNE-LPEHRKFASA-N -1 1 368.390 0.041 10 0 FCAEMM Cn1nncc1C1(O)CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC001520487178 1265923306 /nfs/dbraw/zinc/92/33/06/1265923306.db2.gz IJNWORSNGXHLHV-UHFFFAOYSA-N -1 1 353.176 0.627 10 0 FCAEMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001520594140 1265943360 /nfs/dbraw/zinc/94/33/60/1265943360.db2.gz JLBHFBPQDNRCEY-PBHICJAKSA-N -1 1 368.441 0.954 10 0 FCAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCN2CCOC[C@@]2(CO)C1 ZINC001520743486 1265985153 /nfs/dbraw/zinc/98/51/53/1265985153.db2.gz FTMUJDICHDNRSN-IBGZPJMESA-N -1 1 358.394 0.770 10 0 FCAEMM CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001520904430 1266035833 /nfs/dbraw/zinc/03/58/33/1266035833.db2.gz WEHJFADGVDHAQH-OJLMFNQTSA-N -1 1 364.402 0.972 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)CCOC1 ZINC001331671792 1266263520 /nfs/dbraw/zinc/26/35/20/1266263520.db2.gz YPEBYWUULUPAJF-GOSISDBHSA-N -1 1 362.382 0.051 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](c1ncccn1)C1CC1 ZINC001235542266 1259576795 /nfs/dbraw/zinc/57/67/95/1259576795.db2.gz BTLZDLSMOJDOQD-AWEZNQCLSA-N -1 1 356.386 0.995 10 0 FCAEMM Cn1cnnc1[C@@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235548264 1259578430 /nfs/dbraw/zinc/57/84/30/1259578430.db2.gz ZIHPMCIFVAFOTF-LBPRGKRZSA-N -1 1 359.390 0.430 10 0 FCAEMM COc1cc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1C ZINC001335428453 1259659733 /nfs/dbraw/zinc/65/97/33/1259659733.db2.gz FNQDYNLDYGTGNO-IBGZPJMESA-N -1 1 362.426 0.934 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)N[C@@](C)(CCF)C(=O)[O-])ccn2)CC1 ZINC001332160352 1266347621 /nfs/dbraw/zinc/34/76/21/1266347621.db2.gz OSGKIXYXSAVFPI-KRWDZBQOSA-N -1 1 367.425 0.836 10 0 FCAEMM CCOCCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](OCC)C1 ZINC001282176117 1261368661 /nfs/dbraw/zinc/36/86/61/1261368661.db2.gz VYLJKTMCWRXBPZ-UKRRQHHQSA-N -1 1 365.430 0.807 10 0 FCAEMM COc1cnc(C2(NC(=O)CN3CCCS3(=O)=O)CCCC2)[n-]c1=O ZINC001472110120 1261437884 /nfs/dbraw/zinc/43/78/84/1261437884.db2.gz AMNSGDCSWYDNKA-UHFFFAOYSA-N -1 1 370.431 0.112 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@H]3CCc4nnnn4CC3)CCCC2)[n-]c1=O ZINC001472112342 1261438681 /nfs/dbraw/zinc/43/86/81/1261438681.db2.gz LKLUUHHHZFIISV-NSHDSACASA-N -1 1 373.417 0.716 10 0 FCAEMM CC[C@@](O)(CCC(F)(F)F)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001472154754 1261444252 /nfs/dbraw/zinc/44/42/52/1261444252.db2.gz LYINKOMHOIQTHJ-CYBMUJFWSA-N -1 1 351.325 0.527 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(C)(C)[C@@H](C)O ZINC001472240501 1261454041 /nfs/dbraw/zinc/45/40/41/1261454041.db2.gz FYUFWDRKRCDNBQ-CYBMUJFWSA-N -1 1 366.462 0.783 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001472381815 1261461568 /nfs/dbraw/zinc/46/15/68/1261461568.db2.gz COORLJRGVKOMKV-LDYMZIIASA-N -1 1 367.353 0.100 10 0 FCAEMM O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282659269 1261572735 /nfs/dbraw/zinc/57/27/35/1261572735.db2.gz XTXZMOHCUOTFFW-ILXRZTDVSA-N -1 1 374.441 0.371 10 0 FCAEMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001283525131 1261688805 /nfs/dbraw/zinc/68/88/05/1261688805.db2.gz AEUOIBGMRQIKJF-CHWSQXEVSA-N -1 1 357.414 0.903 10 0 FCAEMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001284459756 1261759003 /nfs/dbraw/zinc/75/90/03/1261759003.db2.gz KGBKHQYNZWWJHC-VHDGCEQUSA-N -1 1 359.430 0.531 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001285756602 1261874235 /nfs/dbraw/zinc/87/42/35/1261874235.db2.gz VSSYZRGOXDUEJC-LSJOCFKGSA-N -1 1 364.402 0.567 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001288129641 1262004298 /nfs/dbraw/zinc/00/42/98/1262004298.db2.gz NEVQILSZSLVAIW-RAIGVLPGSA-N -1 1 362.430 0.655 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001290178096 1262396318 /nfs/dbraw/zinc/39/63/18/1262396318.db2.gz MEYUBIUMILAENN-IVZWLZJFSA-N -1 1 370.381 0.659 10 0 FCAEMM Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001290223292 1262404775 /nfs/dbraw/zinc/40/47/75/1262404775.db2.gz ATKQUBFVJPQOGD-UHFFFAOYSA-N -1 1 371.445 0.532 10 0 FCAEMM C/C=C(/C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001291938383 1262615839 /nfs/dbraw/zinc/61/58/39/1262615839.db2.gz ZLGDYOBXAYIRGW-BJIUKROSSA-N -1 1 360.414 0.141 10 0 FCAEMM CCNC(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001292080961 1262641746 /nfs/dbraw/zinc/64/17/46/1262641746.db2.gz ZPBJBDRJKLRGQI-UPJWGTAASA-N -1 1 360.414 0.565 10 0 FCAEMM Cc1n[nH]c(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1[O-] ZINC001293094169 1262709023 /nfs/dbraw/zinc/70/90/23/1262709023.db2.gz QPUUNFCCAMRGNY-UHFFFAOYSA-N -1 1 359.434 0.546 10 0 FCAEMM Cc1nc2ccc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2nc1C ZINC001296953781 1262844406 /nfs/dbraw/zinc/84/44/06/1262844406.db2.gz NHQZEDOTKUAXQR-UHFFFAOYSA-N -1 1 353.386 0.884 10 0 FCAEMM O=C(c1ccc([C@@H]2CCC(=O)N2)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296955577 1262844519 /nfs/dbraw/zinc/84/45/19/1262844519.db2.gz AWXMBJUJTPZUDD-ZDUSSCGKSA-N -1 1 356.386 0.275 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001297416120 1262865061 /nfs/dbraw/zinc/86/50/61/1262865061.db2.gz DQJGMAJEZWSHCH-GRYCIOLGSA-N -1 1 358.402 0.088 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C(C)C ZINC001298017810 1262907289 /nfs/dbraw/zinc/90/72/89/1262907289.db2.gz JSNZQKIDPBHDCJ-WZRBSPASSA-N -1 1 360.418 0.334 10 0 FCAEMM CCOC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001301588008 1263011779 /nfs/dbraw/zinc/01/17/79/1263011779.db2.gz YJLSAZKYMPQNLA-SNVBAGLBSA-N -1 1 370.369 0.552 10 0 FCAEMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001301649987 1263013408 /nfs/dbraw/zinc/01/34/08/1263013408.db2.gz NYJOAYGYNZJYNA-GUTXKFCHSA-N -1 1 366.381 0.357 10 0 FCAEMM C[C@@H]1[C@H](C)N(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C)C(=O)N1C ZINC001479159256 1263173837 /nfs/dbraw/zinc/17/38/37/1263173837.db2.gz YFELZOPPOVQUTA-VWYCJHECSA-N -1 1 363.418 0.404 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NC[C@]1(OCCO)CCOC1 ZINC001479416475 1263190946 /nfs/dbraw/zinc/19/09/46/1263190946.db2.gz FTKIKZKIHCIPCP-MRXNPFEDSA-N -1 1 360.357 0.680 10 0 FCAEMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001486892045 1263558932 /nfs/dbraw/zinc/55/89/32/1263558932.db2.gz PPZBEFWIHWAFRU-MYFIVHGGSA-N -1 1 360.414 0.673 10 0 FCAEMM Cc1n[nH]c(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C2CC2)c1[O-] ZINC001493524950 1263725436 /nfs/dbraw/zinc/72/54/36/1263725436.db2.gz DUAXFMGBFMHRCO-IJLUTSLNSA-N -1 1 358.402 0.575 10 0 FCAEMM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001319903845 1263741291 /nfs/dbraw/zinc/74/12/91/1263741291.db2.gz CQDJGYPOBAPOBG-AWEZNQCLSA-N -1 1 354.370 0.986 10 0 FCAEMM O=C(c1cccnc1)N1CCC(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC001320367569 1263790004 /nfs/dbraw/zinc/79/00/04/1263790004.db2.gz SZTUOSXQGWMPJS-HNNXBMFYSA-N -1 1 369.429 0.853 10 0 FCAEMM C[C@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001498340642 1263970675 /nfs/dbraw/zinc/97/06/75/1263970675.db2.gz KJAJPAFQFNKBKH-BVWOBERRSA-N -1 1 371.441 0.383 10 0 FCAEMM C[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001513502719 1265160330 /nfs/dbraw/zinc/16/03/30/1265160330.db2.gz ZYZXBVHKNRRXLP-NGZCFLSTSA-N -1 1 361.320 0.677 10 0 FCAEMM CC/C=C(\C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001522304063 1266479651 /nfs/dbraw/zinc/47/96/51/1266479651.db2.gz FIWHJGWYPKVUIX-NMXNVWHYSA-N -1 1 374.441 0.531 10 0 FCAEMM CC/C=C(/C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001522304065 1266479794 /nfs/dbraw/zinc/47/97/94/1266479794.db2.gz FIWHJGWYPKVUIX-YWLZNCOMSA-N -1 1 374.441 0.531 10 0 FCAEMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001332836499 1266490138 /nfs/dbraw/zinc/49/01/38/1266490138.db2.gz GIKILWXXKJJZEF-CIQGVGRVSA-N -1 1 367.450 0.182 10 0 FCAEMM CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001333363358 1266586601 /nfs/dbraw/zinc/58/66/01/1266586601.db2.gz CCOQZRUVOYXYBO-KDOFPFPSSA-N -1 1 362.430 0.274 10 0 FCAEMM C[C@H]1C(=O)N(C)CCN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001527811364 1266926579 /nfs/dbraw/zinc/92/65/79/1266926579.db2.gz ZNEOGARLKOIIOZ-QMMMGPOBSA-N -1 1 350.814 0.794 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3coc4c3C(=O)NCCC4)nc2n1 ZINC001530319673 1267104713 /nfs/dbraw/zinc/10/47/13/1267104713.db2.gz UISVLLAQVCIOGV-UHFFFAOYSA-N -1 1 356.342 0.501 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001334842028 1267197262 /nfs/dbraw/zinc/19/72/62/1267197262.db2.gz VNFAFNAHUOMEGO-SNVBAGLBSA-N -1 1 365.367 0.296 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)[n-]1 ZINC001534727678 1267269832 /nfs/dbraw/zinc/26/98/32/1267269832.db2.gz AXWSXXJRMFDRSQ-CYBMUJFWSA-N -1 1 359.342 0.869 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3ccc(S(C)(=O)=O)o3)nc2n1 ZINC001534786588 1267271658 /nfs/dbraw/zinc/27/16/58/1267271658.db2.gz MWPCYGLMLZJUTC-HYXAFXHYSA-N -1 1 363.355 0.374 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CCN2CCCS2(=O)=O)[n-]c1Cl ZINC001538324366 1267401049 /nfs/dbraw/zinc/40/10/49/1267401049.db2.gz AKFITTXGNGVDRW-UHFFFAOYSA-N -1 1 364.811 0.604 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2nn[n-]n2)s1 ZINC001540099941 1267440579 /nfs/dbraw/zinc/44/05/79/1267440579.db2.gz GVVSBRBCPVJONK-UHFFFAOYSA-N -1 1 372.476 0.541 10 0 FCAEMM COCCOc1ccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)cn1 ZINC001540625403 1267456054 /nfs/dbraw/zinc/45/60/54/1267456054.db2.gz RQJBOZDAUYZGPC-UHFFFAOYSA-N -1 1 371.353 0.939 10 0 FCAEMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1ncc(Br)cc1[O-] ZINC001543079069 1267522364 /nfs/dbraw/zinc/52/23/64/1267522364.db2.gz HYPHIRYTZWDEPF-JTQLQIEISA-N -1 1 357.252 0.915 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCN1C(=O)COc2ccccc21 ZINC001544637368 1267588206 /nfs/dbraw/zinc/58/82/06/1267588206.db2.gz LPOHTDKZDCJFPD-UHFFFAOYSA-N -1 1 360.395 0.935 10 0 FCAEMM O=C([O-])CN(CCN1CCOCC1)C(=O)NCc1ccc2cncn2c1 ZINC001339510135 1268256174 /nfs/dbraw/zinc/25/61/74/1268256174.db2.gz SCQMYVRPGDSWDG-UHFFFAOYSA-N -1 1 361.402 0.263 10 0 FCAEMM CC[C@@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001556080879 1268809571 /nfs/dbraw/zinc/80/95/71/1268809571.db2.gz XPFUXWDHUHUBHE-OAHLLOKOSA-N -1 1 358.416 0.513 10 0 FCAEMM CN1CCn2ncc(C(=O)[N-]c3nnc(C4CC4)s3)c2S1(=O)=O ZINC001557283886 1268940233 /nfs/dbraw/zinc/94/02/33/1268940233.db2.gz CHHVSQCAGATQSY-UHFFFAOYSA-N -1 1 354.417 0.498 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC001557437246 1268947376 /nfs/dbraw/zinc/94/73/76/1268947376.db2.gz ADVFDFQYSLBURW-CQSZACIVSA-N -1 1 365.393 0.886 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001341364555 1268956680 /nfs/dbraw/zinc/95/66/80/1268956680.db2.gz HOBSSICYLOVPCW-LERXQTSPSA-N -1 1 362.430 0.797 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)c1cccc(F)c1Cl ZINC001557844154 1268981688 /nfs/dbraw/zinc/98/16/88/1268981688.db2.gz SYMOVXXOQLUISH-UHFFFAOYSA-N -1 1 353.737 0.718 10 0 FCAEMM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001558025981 1269004629 /nfs/dbraw/zinc/00/46/29/1269004629.db2.gz BKNCCQPRIOPBEJ-GFCCVEGCSA-N -1 1 368.438 0.836 10 0 FCAEMM COCCNc1nc(CC(=O)N2CCC(c3nn[n-]n3)CC2)cs1 ZINC001558026094 1269005243 /nfs/dbraw/zinc/00/52/43/1269005243.db2.gz COKNXSVWDSRIGS-UHFFFAOYSA-N -1 1 351.436 0.663 10 0 FCAEMM CC(C)(C)OC(=O)Nc1ccncc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001558079047 1269019034 /nfs/dbraw/zinc/01/90/34/1269019034.db2.gz OSXBVSQGUUDHND-JTQLQIEISA-N -1 1 359.390 0.993 10 0 FCAEMM CSC[C@@H](C)C(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CCC2)CC1 ZINC001558173868 1269045035 /nfs/dbraw/zinc/04/50/35/1269045035.db2.gz XNNLLFSCCUHHLR-LLVKDONJSA-N -1 1 366.491 0.933 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(c3nccn3C)CC2)co1 ZINC001558181573 1269048116 /nfs/dbraw/zinc/04/81/16/1269048116.db2.gz USDCTOKACDWJOZ-UHFFFAOYSA-N -1 1 368.415 0.045 10 0 FCAEMM O=C(NCc1nnc2c(=O)[nH]ccn12)c1c([O-])cnc2c(F)cccc21 ZINC001558407343 1269085808 /nfs/dbraw/zinc/08/58/08/1269085808.db2.gz AVQVGXJBMWBHDD-UHFFFAOYSA-N -1 1 354.301 0.741 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]c1=O ZINC001558500021 1269101415 /nfs/dbraw/zinc/10/14/15/1269101415.db2.gz FVZDSOYVUFCFAT-JTQLQIEISA-N -1 1 374.401 0.329 10 0 FCAEMM CNC(=O)CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001342115506 1269355018 /nfs/dbraw/zinc/35/50/18/1269355018.db2.gz NEOLQYGMWYUGAQ-CHWSQXEVSA-N -1 1 362.430 0.670 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@H](N2CCCC2=O)C1 ZINC001565247788 1269459050 /nfs/dbraw/zinc/45/90/50/1269459050.db2.gz JWMGBKHOSYBWRR-NSHDSACASA-N -1 1 361.402 0.161 10 0 FCAEMM CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCOCC1 ZINC001565614637 1269483120 /nfs/dbraw/zinc/48/31/20/1269483120.db2.gz VXQKJFRAGASLSO-NSHDSACASA-N -1 1 367.406 0.238 10 0 FCAEMM CCO[C@@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC)C(C)C ZINC001566012952 1269550962 /nfs/dbraw/zinc/55/09/62/1269550962.db2.gz VWNKULDQNLMWCV-GZBFAFLISA-N -1 1 353.467 0.639 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001566489394 1269648200 /nfs/dbraw/zinc/64/82/00/1269648200.db2.gz BSCNYEWCAGBKEW-VIFPVBQESA-N -1 1 364.349 0.766 10 0 FCAEMM COc1ccccc1[C@H](O)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001566777480 1269664250 /nfs/dbraw/zinc/66/42/50/1269664250.db2.gz AUIXIQHPRRYOAI-AWEZNQCLSA-N -1 1 352.368 0.720 10 0 FCAEMM CC[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])N1CCO[C@@H](CC)C1 ZINC001566778107 1269664386 /nfs/dbraw/zinc/66/43/86/1269664386.db2.gz UFCQSPKPBFRYLY-FZMZJTMJSA-N -1 1 371.459 0.868 10 0 FCAEMM Cn1[n-]c(CN[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)nc1=O ZINC001567662406 1269702615 /nfs/dbraw/zinc/70/26/15/1269702615.db2.gz GIGYCSPSPHAGRF-FPCVCCKLSA-N -1 1 371.441 0.623 10 0 FCAEMM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001342986387 1269715949 /nfs/dbraw/zinc/71/59/49/1269715949.db2.gz UMGMLPCYNRHJMW-TZMCWYRMSA-N -1 1 365.430 0.806 10 0 FCAEMM CCC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001343014270 1269730904 /nfs/dbraw/zinc/73/09/04/1269730904.db2.gz YWDNTSKEJZARIV-KWCYVHTRSA-N -1 1 351.403 0.558 10 0 FCAEMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)nc1=O ZINC001569377593 1269779838 /nfs/dbraw/zinc/77/98/38/1269779838.db2.gz XWPYBDXUCNPFGI-CLCXKQKWSA-N -1 1 355.442 0.993 10 0 FCAEMM O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001569608067 1269792402 /nfs/dbraw/zinc/79/24/02/1269792402.db2.gz ZUDIIQQCQCDBME-IZBGITOTSA-N -1 1 361.446 0.698 10 0 FCAEMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1)[C@@H]1CCO[C@H]1C1CC1 ZINC001569732037 1269800674 /nfs/dbraw/zinc/80/06/74/1269800674.db2.gz UDOLTRSSALZQRQ-OCCSQVGLSA-N -1 1 365.434 0.080 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001570204691 1269848395 /nfs/dbraw/zinc/84/83/95/1269848395.db2.gz AKOUEBCULSKNAX-MNOVXSKESA-N -1 1 368.440 0.046 10 0 FCAEMM O=C(NCc1cc([O-])[nH]c(=O)n1)c1nccn2c(Br)cnc12 ZINC001570729904 1269908066 /nfs/dbraw/zinc/90/80/66/1269908066.db2.gz YSASVBWDOZJWPD-UHFFFAOYSA-N -1 1 365.147 0.623 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CO)c1csc(C(C)C)n1 ZINC001570890337 1269920022 /nfs/dbraw/zinc/92/00/22/1269920022.db2.gz WJHYEKGQFNNWAC-ZETCQYMHSA-N -1 1 354.388 0.940 10 0 FCAEMM NC(=O)CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001344082904 1270092574 /nfs/dbraw/zinc/09/25/74/1270092574.db2.gz FBMBWWITRRCNOX-CHWSQXEVSA-N -1 1 362.430 0.990 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(C(=O)c2ncccc2[O-])CC1 ZINC001572707436 1270109863 /nfs/dbraw/zinc/10/98/63/1270109863.db2.gz PBYXMPLKNJNOHA-OLZOCXBDSA-N -1 1 358.398 0.187 10 0 FCAEMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)C(C)C ZINC001572913215 1270341111 /nfs/dbraw/zinc/34/11/11/1270341111.db2.gz HUYLRWVIWXPVKX-UXIGCNINSA-N -1 1 362.430 0.525 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001573265002 1270718825 /nfs/dbraw/zinc/71/88/25/1270718825.db2.gz WCUYOTMBOUJAKE-HZSPNIEDSA-N -1 1 362.430 0.811 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CO[C@H]2CCOC2)CCN1C(=O)c1ncccc1[O-] ZINC001573268832 1270721895 /nfs/dbraw/zinc/72/18/95/1270721895.db2.gz SMPCDMIQZMGOGO-MELADBBJSA-N -1 1 363.414 0.702 10 0 FCAEMM COC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001573723151 1270860332 /nfs/dbraw/zinc/86/03/32/1270860332.db2.gz QXBCONSTDZIODM-DFHBCGBQSA-N -1 1 363.414 0.369 10 0 FCAEMM CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001574312032 1271187231 /nfs/dbraw/zinc/18/72/31/1271187231.db2.gz XJLLJLAWKZWDBJ-VWYCJHECSA-N -1 1 364.402 0.948 10 0 FCAEMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001716907381 1287393720 /nfs/dbraw/zinc/39/37/20/1287393720.db2.gz ZVTPKHMYAZWFMN-SGMGOOAPSA-N -1 1 365.434 0.080 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2[nH]ncc2Br)n[n-]1 ZINC001584176378 1282141026 /nfs/dbraw/zinc/14/10/26/1282141026.db2.gz MJGNQZOOQXHTPB-RXMQYKEDSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2[nH]ncc2Br)n1 ZINC001584176378 1282141030 /nfs/dbraw/zinc/14/10/30/1282141030.db2.gz MJGNQZOOQXHTPB-RXMQYKEDSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)n[n-]1 ZINC001584176948 1282141083 /nfs/dbraw/zinc/14/10/83/1282141083.db2.gz ZIRHYTZEGFYNFN-MFKMUULPSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)[n-]1 ZINC001584176948 1282141087 /nfs/dbraw/zinc/14/10/87/1282141087.db2.gz ZIRHYTZEGFYNFN-MFKMUULPSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)n1 ZINC001584176948 1282141089 /nfs/dbraw/zinc/14/10/89/1282141089.db2.gz ZIRHYTZEGFYNFN-MFKMUULPSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[n-]c1Cl ZINC001584880331 1282180297 /nfs/dbraw/zinc/18/02/97/1282180297.db2.gz YXNIBTJHGYFKNN-GFCCVEGCSA-N -1 1 364.811 0.650 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C2CCC(NC(C)=O)CC2)n[n-]1 ZINC001632567563 1282187457 /nfs/dbraw/zinc/18/74/57/1282187457.db2.gz ORUGWBHPJHAISI-GCVQQVDUSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2CCC(NC(C)=O)CC2)[n-]1 ZINC001632567563 1282187464 /nfs/dbraw/zinc/18/74/64/1282187464.db2.gz ORUGWBHPJHAISI-GCVQQVDUSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2CCC(NC(C)=O)CC2)n1 ZINC001632567563 1282187466 /nfs/dbraw/zinc/18/74/66/1282187466.db2.gz ORUGWBHPJHAISI-GCVQQVDUSA-N -1 1 351.407 0.854 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(c3nn[n-]n3)CC2)COC1 ZINC001632652524 1282195543 /nfs/dbraw/zinc/19/55/43/1282195543.db2.gz ZCBFCFKBAXARGM-UHFFFAOYSA-N -1 1 366.422 0.590 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001632722823 1282201230 /nfs/dbraw/zinc/20/12/30/1282201230.db2.gz XOMGBPBJJAMNSI-YMTOWFKASA-N -1 1 373.456 0.245 10 0 FCAEMM C[C@@H](CNC(=O)c1ncc(Br)cc1[O-])N1CCN(C)CC1 ZINC001585149474 1282205976 /nfs/dbraw/zinc/20/59/76/1282205976.db2.gz FVKVPLQNTCKQEF-JTQLQIEISA-N -1 1 357.252 0.915 10 0 FCAEMM O=C(C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Br)s1 ZINC001585183720 1282209559 /nfs/dbraw/zinc/20/95/59/1282209559.db2.gz UUPMRUWYPPIAMI-ZCFIWIBFSA-N -1 1 372.204 0.807 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC001585869968 1282249322 /nfs/dbraw/zinc/24/93/22/1282249322.db2.gz OTLQWUJNMBUOJV-NSHDSACASA-N -1 1 350.400 0.616 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001633669758 1282263673 /nfs/dbraw/zinc/26/36/73/1282263673.db2.gz LWPFEFBMTLQZSI-IUCAKERBSA-N -1 1 360.461 0.227 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001633867260 1282279846 /nfs/dbraw/zinc/27/98/46/1282279846.db2.gz PIVFKYDNQJNJKO-GFCCVEGCSA-N -1 1 373.369 0.378 10 0 FCAEMM Cc1[nH]nc(Br)c1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895618 1282282830 /nfs/dbraw/zinc/28/28/30/1282282830.db2.gz LHAUYJQWXKLTOP-UHFFFAOYSA-N -1 1 356.184 0.118 10 0 FCAEMM O=C([C@@H]1C[C@H](c2ccccc2)OC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895763 1282283001 /nfs/dbraw/zinc/28/30/01/1282283001.db2.gz QEVIAEFZYHZSKM-QWHCGFSZSA-N -1 1 357.370 0.314 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCCC(=O)N(C)c2nn[n-]n2)cc1C ZINC001634121765 1282301203 /nfs/dbraw/zinc/30/12/03/1282301203.db2.gz YCGNWVJQAVPNLZ-UHFFFAOYSA-N -1 1 352.420 0.538 10 0 FCAEMM CSc1ncc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(=O)[n-]1 ZINC001586847007 1282317125 /nfs/dbraw/zinc/31/71/25/1282317125.db2.gz DRVMDLMWUNJZTC-JKYUHCHBSA-N -1 1 351.388 0.012 10 0 FCAEMM COCCn1cc(N2C[C@H](C(=O)[N-]OC3CCOCC3)CC2=O)cn1 ZINC001634620606 1282339045 /nfs/dbraw/zinc/33/90/45/1282339045.db2.gz GUVPIFKYNBFQQS-GFCCVEGCSA-N -1 1 352.391 0.109 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001587869536 1282384756 /nfs/dbraw/zinc/38/47/56/1282384756.db2.gz LDDOPRGQKPXZBZ-BETUJISGSA-N -1 1 360.418 0.471 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001587869537 1282384910 /nfs/dbraw/zinc/38/49/10/1282384910.db2.gz LDDOPRGQKPXZBZ-CHWSQXEVSA-N -1 1 360.418 0.471 10 0 FCAEMM CC(C)(C)c1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)nc2ncnn21 ZINC001587870183 1282386070 /nfs/dbraw/zinc/38/60/70/1282386070.db2.gz QRKKHOHFADQCGV-UHFFFAOYSA-N -1 1 355.406 0.955 10 0 FCAEMM CCOC(=O)[C@H](CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(C)=O ZINC001588033096 1282399126 /nfs/dbraw/zinc/39/91/26/1282399126.db2.gz QCTQIMKLFIFLLA-SNVBAGLBSA-N -1 1 351.359 0.030 10 0 FCAEMM COc1cnc(C2(NC(=O)c3cn(C)c(=O)[nH]c3=O)CCCC2)[n-]c1=O ZINC001636115966 1282460204 /nfs/dbraw/zinc/46/02/04/1282460204.db2.gz FVHRNWZYNPBVIK-UHFFFAOYSA-N -1 1 361.358 0.189 10 0 FCAEMM Cc1nc(CS(C)(=O)=O)sc1CC(=O)[N-]O[C@H](CO)C(C)C ZINC001636274386 1282477847 /nfs/dbraw/zinc/47/78/47/1282477847.db2.gz IJOJBUOTCLBLJB-SNVBAGLBSA-N -1 1 350.462 0.603 10 0 FCAEMM O=C(CC1CS(=O)(=O)C1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001637134612 1282567107 /nfs/dbraw/zinc/56/71/07/1282567107.db2.gz JTOJIKGMWJWAJO-UHFFFAOYSA-N -1 1 374.440 0.206 10 0 FCAEMM C[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC001637134912 1282567637 /nfs/dbraw/zinc/56/76/37/1282567637.db2.gz MOJOKLWWSQOROJ-CABZTGNLSA-N -1 1 367.427 0.686 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OC)o1 ZINC001637818688 1282627173 /nfs/dbraw/zinc/62/71/73/1282627173.db2.gz NCAGEWQVEOGVIF-ZJUUUORDSA-N -1 1 360.388 0.028 10 0 FCAEMM C[C@](O)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC001637891540 1282635061 /nfs/dbraw/zinc/63/50/61/1282635061.db2.gz ZBHGSQOACWVYFW-SFHVURJKSA-N -1 1 358.398 0.962 10 0 FCAEMM CSCC[C@@H](CC(=O)NN1CC(=O)[N-]C1=O)NC(=O)OC(C)(C)C ZINC001638137993 1282663782 /nfs/dbraw/zinc/66/37/82/1282663782.db2.gz WAARRAJLBVLORT-VIFPVBQESA-N -1 1 360.436 0.606 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2nnc3c(=O)n(C)ccn23)c1 ZINC001638488855 1282700706 /nfs/dbraw/zinc/70/07/06/1282700706.db2.gz NZSACUAGXJWIEQ-UHFFFAOYSA-N -1 1 355.354 0.227 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)n1 ZINC001638577558 1282706419 /nfs/dbraw/zinc/70/64/19/1282706419.db2.gz DELZWFVVVDEHBP-VXGBXAGGSA-N -1 1 358.354 0.902 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)co1 ZINC001638606284 1282709748 /nfs/dbraw/zinc/70/97/48/1282709748.db2.gz PZRSOSMZMGZYMP-XALPAYFRSA-N -1 1 372.443 0.890 10 0 FCAEMM COC(=O)c1ccn(CC(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)n1 ZINC001640132843 1282842942 /nfs/dbraw/zinc/84/29/42/1282842942.db2.gz SLUGLWXWEIWQSM-LLVKDONJSA-N -1 1 361.358 0.538 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)n[n-]1 ZINC001640225331 1282848342 /nfs/dbraw/zinc/84/83/42/1282848342.db2.gz KPVZZPQMWHVXRD-QWRGUYRKSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)[n-]1 ZINC001640225331 1282848354 /nfs/dbraw/zinc/84/83/54/1282848354.db2.gz KPVZZPQMWHVXRD-QWRGUYRKSA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)n1 ZINC001640225331 1282848358 /nfs/dbraw/zinc/84/83/58/1282848358.db2.gz KPVZZPQMWHVXRD-QWRGUYRKSA-N -1 1 351.407 0.807 10 0 FCAEMM COC(=O)[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C(=O)OC ZINC001640537362 1282872155 /nfs/dbraw/zinc/87/21/55/1282872155.db2.gz IWPAFGVJVMTPBU-BETUJISGSA-N -1 1 358.350 0.975 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NN1CC(=O)[N-]C1=O ZINC001641142529 1282927383 /nfs/dbraw/zinc/92/73/83/1282927383.db2.gz XBQBXVQIWVHPFG-LLVKDONJSA-N -1 1 363.374 0.100 10 0 FCAEMM Cn1ncc2c1CC(C)(C)CN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001641529930 1282959380 /nfs/dbraw/zinc/95/93/80/1282959380.db2.gz CFCDYSIFUDNVKT-UHFFFAOYSA-N -1 1 357.414 0.862 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680834329 1283453154 /nfs/dbraw/zinc/45/31/54/1283453154.db2.gz MYMCIKTUDLFBOK-ZENOOKHLSA-N -1 1 363.414 0.151 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001684377693 1284168528 /nfs/dbraw/zinc/16/85/28/1284168528.db2.gz NSALDUBACCRWCH-RWMBFGLXSA-N -1 1 362.430 0.717 10 0 FCAEMM CNC(=O)CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001702690880 1285788935 /nfs/dbraw/zinc/78/89/35/1285788935.db2.gz SBAKSIMMWBKRGV-OLZOCXBDSA-N -1 1 362.430 0.813 10 0 FCAEMM Cc1ncc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001702831813 1285924004 /nfs/dbraw/zinc/92/40/04/1285924004.db2.gz ATCNWDYGYZHKLN-BXKDBHETSA-N -1 1 360.418 0.983 10 0 FCAEMM CN(CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)c1ncccc1[O-] ZINC001703633829 1286125327 /nfs/dbraw/zinc/12/53/27/1286125327.db2.gz VOEYFXUAMDBJJN-HEHGZKQESA-N -1 1 363.414 0.417 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1nn[n-]n1 ZINC001595889756 1286268073 /nfs/dbraw/zinc/26/80/73/1286268073.db2.gz XVQNEZAJCOCHOZ-DGCLKSJQSA-N -1 1 365.438 0.368 10 0 FCAEMM CC[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001704659983 1286277444 /nfs/dbraw/zinc/27/74/44/1286277444.db2.gz QGDRSNATMWMGLU-SNUQEOBHSA-N -1 1 362.430 0.128 10 0 FCAEMM CSCc1n[nH]c(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC001596394692 1286299177 /nfs/dbraw/zinc/29/91/77/1286299177.db2.gz XMMSKHROGBXZNQ-UHFFFAOYSA-N -1 1 355.445 0.969 10 0 FCAEMM CSCc1nnc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)[nH]1 ZINC001596394692 1286299181 /nfs/dbraw/zinc/29/91/81/1286299181.db2.gz XMMSKHROGBXZNQ-UHFFFAOYSA-N -1 1 355.445 0.969 10 0 FCAEMM O=C(CNCC(F)(F)F)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597371083 1286340707 /nfs/dbraw/zinc/34/07/07/1286340707.db2.gz ROVMVLLAYWWRIS-UHFFFAOYSA-N -1 1 367.349 0.923 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)C[C@@H]1C ZINC001597910496 1286369972 /nfs/dbraw/zinc/36/99/72/1286369972.db2.gz IFKSCYZMGLYUBL-JTQLQIEISA-N -1 1 354.432 0.614 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001705468902 1286399840 /nfs/dbraw/zinc/39/98/40/1286399840.db2.gz GMCKBJAMSBQILF-MRAWALMUSA-N -1 1 363.414 0.296 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001719165459 1287818622 /nfs/dbraw/zinc/81/86/22/1287818622.db2.gz JDUWBZWJWSKSJB-DMDPSCGWSA-N -1 1 360.418 0.431 10 0 FCAEMM CCOCCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001719224052 1287895021 /nfs/dbraw/zinc/89/50/21/1287895021.db2.gz FJPDTNZNPLLEMK-TZMCWYRMSA-N -1 1 351.403 0.560 10 0 FCAEMM COC[C@@H](OC)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001719957380 1288206880 /nfs/dbraw/zinc/20/68/80/1288206880.db2.gz HBCRUCIDGDPWCH-WRSAYESZSA-N -1 1 363.414 0.560 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001721925076 1288391195 /nfs/dbraw/zinc/39/11/95/1288391195.db2.gz WXHGGNNBDXCHTG-MYFIVHGGSA-N -1 1 362.430 0.885 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CN(C)C(=O)C1CC1 ZINC001735825933 1288936365 /nfs/dbraw/zinc/93/63/65/1288936365.db2.gz SKSZRXYEUOZGOM-DGCLKSJQSA-N -1 1 360.414 0.232 10 0 FCAEMM CS(=O)(=O)c1ccc(OCCNC(=O)CCCc2nn[n-]n2)cc1 ZINC001616330476 1289775254 /nfs/dbraw/zinc/77/52/54/1289775254.db2.gz IYGZRVVZGUEPDZ-UHFFFAOYSA-N -1 1 353.404 0.121 10 0 FCAEMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001616944260 1289803888 /nfs/dbraw/zinc/80/38/88/1289803888.db2.gz AMKOWLFDFRSZBZ-CHWFTXMASA-N -1 1 357.461 0.172 10 0 FCAEMM NC(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)nc1Cl ZINC001616947586 1289804994 /nfs/dbraw/zinc/80/49/94/1289804994.db2.gz UNHDYDVPUFXDCN-MRVPVSSYSA-N -1 1 353.795 0.277 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CCOC)C2)[n-]c1Cl ZINC001617107434 1289813343 /nfs/dbraw/zinc/81/33/43/1289813343.db2.gz ITGBYTZLSATVIE-QMMMGPOBSA-N -1 1 358.782 0.673 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)C1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001739144548 1289817196 /nfs/dbraw/zinc/81/71/96/1289817196.db2.gz CSYWOSJYKPHJIQ-BLYZHGLHSA-N -1 1 362.430 0.078 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1 ZINC001617437709 1289842188 /nfs/dbraw/zinc/84/21/88/1289842188.db2.gz GYUBJNHNFWVGLP-SDDRHHMPSA-N -1 1 353.375 0.840 10 0 FCAEMM Cn1cc(NC(=O)CNC(=O)c2ncccc2[O-])c(-c2ccccn2)n1 ZINC001622607922 1290162884 /nfs/dbraw/zinc/16/28/84/1290162884.db2.gz OWDHWMQJCHSUQI-UHFFFAOYSA-N -1 1 352.354 0.951 10 0 FCAEMM CCN1CCc2nc(NC(=O)CNC(=O)c3ncccc3[O-])sc2C1 ZINC001623374465 1290216662 /nfs/dbraw/zinc/21/66/62/1290216662.db2.gz PERHCQOVYYZVFB-UHFFFAOYSA-N -1 1 361.427 0.990 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001624892454 1290304093 /nfs/dbraw/zinc/30/40/93/1290304093.db2.gz IPINAISMCNEZHC-UHFFFAOYSA-N -1 1 373.394 0.089 10 0 FCAEMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1c[n-]ncc1=O ZINC001625344056 1290336056 /nfs/dbraw/zinc/33/60/56/1290336056.db2.gz RDVASJLNFBOHAI-HNNXBMFYSA-N -1 1 352.354 0.452 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3n(n2)CCC[C@@H]3O)c1 ZINC001625734953 1290361462 /nfs/dbraw/zinc/36/14/62/1290361462.db2.gz KIBMSFMJLBUEAK-AWEZNQCLSA-N -1 1 366.399 0.576 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC001625944739 1290367920 /nfs/dbraw/zinc/36/79/20/1290367920.db2.gz LKUPVWRHGUBHBS-ZDUSSCGKSA-N -1 1 353.423 0.040 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cccc(N2CCOC2=O)c1 ZINC001626045137 1290369523 /nfs/dbraw/zinc/36/95/23/1290369523.db2.gz LPFKNEATHDUENZ-UHFFFAOYSA-N -1 1 370.365 0.790 10 0 FCAEMM O=C([C@H]1CCN(Cc2ccccc2)C1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046484 1290370583 /nfs/dbraw/zinc/37/05/83/1290370583.db2.gz AWQUQTCMKSUNBO-CQSZACIVSA-N -1 1 370.413 0.058 10 0 FCAEMM O=C(c1c(O)cnc2c(F)cccc21)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626047120 1290373079 /nfs/dbraw/zinc/37/30/79/1290373079.db2.gz ZOGVSHUMBGJVIA-UHFFFAOYSA-N -1 1 358.333 0.716 10 0 FCAEMM C[C@@H]1[C@@H](CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)[C@H](C)Nc2ccnn21 ZINC001627166226 1290443146 /nfs/dbraw/zinc/44/31/46/1290443146.db2.gz ZORLRLJGLHDKHJ-RNJOBUHISA-N -1 1 360.422 0.768 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001740064797 1290476610 /nfs/dbraw/zinc/47/66/10/1290476610.db2.gz NCJYMSWJXXUQCS-TUAOUCFPSA-N -1 1 360.418 0.573 10 0 FCAEMM CSc1nc(CNC(=O)CCCCCCS(N)(=O)=O)cc(=O)[n-]1 ZINC001627728214 1290481274 /nfs/dbraw/zinc/48/12/74/1290481274.db2.gz SZTJKXIFOOYFRX-UHFFFAOYSA-N -1 1 362.477 0.759 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001628571805 1290542254 /nfs/dbraw/zinc/54/22/54/1290542254.db2.gz BDFXAXXEVQNNHD-NSHDSACASA-N -1 1 374.363 0.908 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC001628702383 1290550456 /nfs/dbraw/zinc/55/04/56/1290550456.db2.gz NXJYANFWWIYJSR-UHFFFAOYSA-N -1 1 355.416 0.077 10 0 FCAEMM O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC001628961401 1290565068 /nfs/dbraw/zinc/56/50/68/1290565068.db2.gz WGZGFNAPVZEHON-UHFFFAOYSA-N -1 1 371.426 0.776 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001630294769 1290656730 /nfs/dbraw/zinc/65/67/30/1290656730.db2.gz HFFJWRZAHIRELJ-SECBINFHSA-N -1 1 355.354 0.976 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)o1 ZINC001630409400 1290666794 /nfs/dbraw/zinc/66/67/94/1290666794.db2.gz OXATYXACXGPOCL-ZDUSSCGKSA-N -1 1 365.367 0.665 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC001631129645 1290715203 /nfs/dbraw/zinc/71/52/03/1290715203.db2.gz IIAGLSRLCLOUAA-ZJUUUORDSA-N -1 1 365.342 0.454 10 0 FCAEMM Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCOC[C@@H]3c3nn[n-]n3)C2=O)c1 ZINC001631568729 1290739646 /nfs/dbraw/zinc/73/96/46/1290739646.db2.gz KVSXVLFSQXSZFL-LSDHHAIUSA-N -1 1 370.413 0.770 10 0 FCAEMM CCO[C@H]1COCC[C@@H]1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244473 1290866578 /nfs/dbraw/zinc/86/65/78/1290866578.db2.gz QQUGBAMWADXAGA-RISCZKNCSA-N -1 1 351.403 0.703 10 0 FCAEMM CNC(=O)NC[C@@H]1COCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001643283921 1290871084 /nfs/dbraw/zinc/87/10/84/1290871084.db2.gz ZLSTWSWRHWVYLK-SNVBAGLBSA-N -1 1 362.361 0.850 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC001643437138 1290888302 /nfs/dbraw/zinc/88/83/02/1290888302.db2.gz PGGVOFFKQZLWGK-MGCOHNPYSA-N -1 1 361.358 0.806 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001643821149 1290917608 /nfs/dbraw/zinc/91/76/08/1290917608.db2.gz VEZPYOBGVUKCOF-UHFFFAOYSA-N -1 1 363.422 0.439 10 0 FCAEMM C[C@@H]1Oc2ccccc2N(CCC(=O)NC2(c3nn[n-]n3)CCC2)C1=O ZINC001643872213 1290921505 /nfs/dbraw/zinc/92/15/05/1290921505.db2.gz YNNQPOBDKOHGQS-NSHDSACASA-N -1 1 356.386 0.899 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCc2ccccc2NC1=O ZINC001644145840 1290942270 /nfs/dbraw/zinc/94/22/70/1290942270.db2.gz MVDUKQLSWSETID-CYBMUJFWSA-N -1 1 354.366 0.587 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(N2CCCCC2)n1 ZINC001644156681 1290944158 /nfs/dbraw/zinc/94/41/58/1290944158.db2.gz LNUHBSZMICBSLO-UHFFFAOYSA-N -1 1 370.413 0.965 10 0 FCAEMM O=C(COCCOc1ccccc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644157252 1290944405 /nfs/dbraw/zinc/94/44/05/1290944405.db2.gz SHCLLEFBHRZHDA-UHFFFAOYSA-N -1 1 359.382 0.967 10 0 FCAEMM CN(Cc1cc(=O)n2[n-]ccc2n1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001644172936 1290945436 /nfs/dbraw/zinc/94/54/36/1290945436.db2.gz WSKZGRPIAHWMED-CYBMUJFWSA-N -1 1 365.434 0.682 10 0 FCAEMM O=C(CNC(=O)c1cc(F)ccc1[O-])NCC(=O)NCc1ccccc1 ZINC001644337568 1290956519 /nfs/dbraw/zinc/95/65/19/1290956519.db2.gz NFNLGWZTJXMNDZ-UHFFFAOYSA-N -1 1 359.357 0.694 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)[n-]c1=O ZINC001646345810 1291063916 /nfs/dbraw/zinc/06/39/16/1291063916.db2.gz MHNRISIRJKYUBB-LBPRGKRZSA-N -1 1 374.401 0.777 10 0 FCAEMM CCOC(=O)c1[n-]cnc1CNC(=O)c1cnc2scc(C)n2c1=O ZINC001647899519 1291081721 /nfs/dbraw/zinc/08/17/21/1291081721.db2.gz ONQVBHXSMMJKKG-UHFFFAOYSA-N -1 1 361.383 0.894 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CCc3nnnn3CC2)[n-]c1=O ZINC001648405540 1291120075 /nfs/dbraw/zinc/12/00/75/1291120075.db2.gz GOXLJQFXHGKSAF-GHMZBOCLSA-N -1 1 359.390 0.494 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001650961897 1291189935 /nfs/dbraw/zinc/18/99/35/1291189935.db2.gz BSEGYDHQXMBXCA-OAHLLOKOSA-N -1 1 353.382 0.681 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686826 1291233748 /nfs/dbraw/zinc/23/37/48/1291233748.db2.gz BHXVMSUTNBLAMZ-VIFPVBQESA-N -1 1 353.404 0.178 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686826 1291233756 /nfs/dbraw/zinc/23/37/56/1291233756.db2.gz BHXVMSUTNBLAMZ-VIFPVBQESA-N -1 1 353.404 0.178 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC001651686826 1291233760 /nfs/dbraw/zinc/23/37/60/1291233760.db2.gz BHXVMSUTNBLAMZ-VIFPVBQESA-N -1 1 353.404 0.178 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[n-]c1=O ZINC001652476724 1291278947 /nfs/dbraw/zinc/27/89/47/1291278947.db2.gz LAIDPKLEEFFZCM-CQSZACIVSA-N -1 1 358.420 0.014 10 0 FCAEMM COc1cnc(C2(NC(=O)CCCS(C)(=O)=O)CCCC2)[n-]c1=O ZINC001652805448 1291300588 /nfs/dbraw/zinc/30/05/88/1291300588.db2.gz MSSLKLKYANDQKX-UHFFFAOYSA-N -1 1 357.432 0.901 10 0 FCAEMM CCc1noc([C@@H]2CC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001653186500 1291326129 /nfs/dbraw/zinc/32/61/29/1291326129.db2.gz QIKLTOIMGJHPBB-MNOVXSKESA-N -1 1 359.386 0.915 10 0 FCAEMM CCOC(=O)[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCOC1 ZINC001653254439 1291331792 /nfs/dbraw/zinc/33/17/92/1291331792.db2.gz PHDWIDVRDFGWHH-NHYWBVRUSA-N -1 1 351.403 0.703 10 0 FCAEMM CCOC(=O)c1cccc2[nH]c(NC(=O)CCn3cc[n-]c(=O)c3=O)nc21 ZINC001653490381 1291347338 /nfs/dbraw/zinc/34/73/38/1291347338.db2.gz IXDWPPLWRAEGRH-UHFFFAOYSA-N -1 1 371.353 0.618 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Br)[nH]c2=O)n1 ZINC001654267737 1291403837 /nfs/dbraw/zinc/40/38/37/1291403837.db2.gz YUEPBPSCUDPKPS-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)[nH]c2=O)[n-]1 ZINC001654267737 1291403841 /nfs/dbraw/zinc/40/38/41/1291403841.db2.gz YUEPBPSCUDPKPS-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM O=c1[n-]c(CN2CCCS(=O)(=O)C[C@@H]2C2CC2)nc2c1COCC2 ZINC001655716263 1291481528 /nfs/dbraw/zinc/48/15/28/1291481528.db2.gz DDJXAFXAKAHZSX-CQSZACIVSA-N -1 1 353.444 0.654 10 0 FCAEMM C[C@H](CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)c1cnn(C)c1 ZINC001656979199 1291586628 /nfs/dbraw/zinc/58/66/28/1291586628.db2.gz DQMVJIBIPZSODP-BZPMIXESSA-N -1 1 361.450 0.115 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001662244515 1291718325 /nfs/dbraw/zinc/71/83/25/1291718325.db2.gz MTRKXGYXEXJUST-NILFDRSVSA-N -1 1 361.402 0.261 10 0 FCAEMM Cn1[n-]c(CN[C@@H](CNC(=O)[C@]23C[C@H]2COC3)c2ccccc2)nc1=O ZINC001664578631 1291803543 /nfs/dbraw/zinc/80/35/43/1291803543.db2.gz QGVOSYODENKOGZ-DEYYWGMASA-N -1 1 357.414 0.092 10 0 FCAEMM Cn1cc(C[C@H]2CCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)cn1 ZINC001684758538 1292328984 /nfs/dbraw/zinc/32/89/84/1292328984.db2.gz ZTHXLABNAFUDMO-GFCCVEGCSA-N -1 1 372.429 0.763 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@H]1C ZINC001684869128 1292346303 /nfs/dbraw/zinc/34/63/03/1292346303.db2.gz MMTNXRRQNJEYCH-NXEZZACHSA-N -1 1 350.375 0.205 10 0 FCAEMM O=C(NCCC[C@@H]1CCOC1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684868008 1292346428 /nfs/dbraw/zinc/34/64/28/1292346428.db2.gz DFKVXCMZRYZWII-SNVBAGLBSA-N -1 1 350.375 0.397 10 0 FCAEMM O=C(NCCOC1CCSCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869397 1292347173 /nfs/dbraw/zinc/34/71/73/1292347173.db2.gz OTOVUKCMGHWHQF-UHFFFAOYSA-N -1 1 368.459 0.966 10 0 FCAEMM Cn1nccc1[C@H]1COCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869622 1292348318 /nfs/dbraw/zinc/34/83/18/1292348318.db2.gz QRJBUTRQTYYCPK-CQSZACIVSA-N -1 1 374.401 0.272 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COC[C@@H]1CCCO1 ZINC001685214531 1292454065 /nfs/dbraw/zinc/45/40/65/1292454065.db2.gz FPTIMOPLCVYULC-RDBSUJKOSA-N -1 1 363.414 0.702 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COC[C@H]1CCCO1 ZINC001685214530 1292454087 /nfs/dbraw/zinc/45/40/87/1292454087.db2.gz FPTIMOPLCVYULC-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM CCC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001685505632 1292547082 /nfs/dbraw/zinc/54/70/82/1292547082.db2.gz ZNYNRUMANVFJSA-KPZWWZAWSA-N -1 1 360.414 0.234 10 0 FCAEMM CCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C ZINC001685594396 1292567840 /nfs/dbraw/zinc/56/78/40/1292567840.db2.gz IAHLBRCZIDPZFE-DGCLKSJQSA-N -1 1 362.430 0.920 10 0 FCAEMM CCOCCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001685647016 1292583418 /nfs/dbraw/zinc/58/34/18/1292583418.db2.gz NPZPDVJBOHZWDT-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001685749592 1292619172 /nfs/dbraw/zinc/61/91/72/1292619172.db2.gz ALDXSPOPNYVJBU-QFSBIZTOSA-N -1 1 351.378 0.740 10 0 FCAEMM CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC001686091634 1292763892 /nfs/dbraw/zinc/76/38/92/1292763892.db2.gz PEQPGCSVADFPQR-MDZLAQPJSA-N -1 1 370.413 0.470 10 0 FCAEMM O=C(N[C@H]1CCC(=O)NC1=O)c1cc(I)ccc1[O-] ZINC000161593527 836020176 /nfs/dbraw/zinc/02/01/76/836020176.db2.gz YUEQGGBPONFGOB-QMMMGPOBSA-N -1 1 374.134 0.532 10 0 FCAEMM CCOC(=O)CCC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000749073512 836341633 /nfs/dbraw/zinc/34/16/33/836341633.db2.gz LORQOVUFNTUZPA-UHFFFAOYSA-N -1 1 351.403 0.509 10 0 FCAEMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000749294386 836354326 /nfs/dbraw/zinc/35/43/26/836354326.db2.gz HHAYSLDPMRIATH-LBPRGKRZSA-N -1 1 353.828 0.628 10 0 FCAEMM CCc1noc2ncc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)cc12 ZINC001116662066 846729182 /nfs/dbraw/zinc/72/91/82/846729182.db2.gz HQGPBQNVVJZJKZ-UHFFFAOYSA-N -1 1 368.415 0.566 10 0 FCAEMM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001118177475 847312513 /nfs/dbraw/zinc/31/25/13/847312513.db2.gz SXTKDNZVGXGFPV-GYSYKLTISA-N -1 1 369.443 0.704 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CCCS2)CC1 ZINC001119638849 847919355 /nfs/dbraw/zinc/91/93/55/847919355.db2.gz UZDTUSZTKMTYAP-AWEZNQCLSA-N -1 1 358.508 0.616 10 0 FCAEMM CC[C@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)CCS1 ZINC001123122057 848570445 /nfs/dbraw/zinc/57/04/45/848570445.db2.gz GUMYWDFQXKHMIV-MNOVXSKESA-N -1 1 350.452 0.827 10 0 FCAEMM CC[C@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)CCS1 ZINC001123122057 848570448 /nfs/dbraw/zinc/57/04/48/848570448.db2.gz GUMYWDFQXKHMIV-MNOVXSKESA-N -1 1 350.452 0.827 10 0 FCAEMM CCn1cc(CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)nn1 ZINC001136149799 849208733 /nfs/dbraw/zinc/20/87/33/849208733.db2.gz ZHRAYNSIOIIJSO-UHFFFAOYSA-N -1 1 353.404 0.859 10 0 FCAEMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cnncc2[O-])C1 ZINC001136517129 849225854 /nfs/dbraw/zinc/22/58/54/849225854.db2.gz SJRRVAPSACWADY-NSHDSACASA-N -1 1 350.375 0.056 10 0 FCAEMM COC[C@]1(C(=O)NCc2nn[n-]n2)CCCCN1C(=O)OC(C)(C)C ZINC001136627206 849231399 /nfs/dbraw/zinc/23/13/99/849231399.db2.gz AEZUVXKZPNOVCJ-HNNXBMFYSA-N -1 1 354.411 0.622 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCc2c(C)[nH][nH]c2=O)c(=O)[n-]1 ZINC001136654150 849233299 /nfs/dbraw/zinc/23/32/99/849233299.db2.gz UZLUVAUFNHAHQW-NSHDSACASA-N -1 1 351.432 0.773 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC001136807487 849243379 /nfs/dbraw/zinc/24/33/79/849243379.db2.gz UXPSLYYAXSDGJI-UHFFFAOYSA-N -1 1 368.287 0.555 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001136994677 849251746 /nfs/dbraw/zinc/25/17/46/849251746.db2.gz FFMIYFVHCZJXQF-OAHLLOKOSA-N -1 1 365.415 0.230 10 0 FCAEMM COCCC(=O)N1CCC(NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001137476071 849267854 /nfs/dbraw/zinc/26/78/54/849267854.db2.gz RKTGWNLIXCVVRZ-UHFFFAOYSA-N -1 1 363.443 0.775 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001137822146 849286555 /nfs/dbraw/zinc/28/65/55/849286555.db2.gz LERARKSDDCCXMT-DYVFJYSZSA-N -1 1 367.423 0.979 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1cc(Br)cn2ncnc12)c1nn[n-]n1 ZINC001138057209 849296180 /nfs/dbraw/zinc/29/61/80/849296180.db2.gz IXSLZQGZBFGUMF-ZETCQYMHSA-N -1 1 365.195 0.881 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCC1CCN(CC(F)F)CC1 ZINC001141640812 849403758 /nfs/dbraw/zinc/40/37/58/849403758.db2.gz JTHHUEAVDCRQIO-UHFFFAOYSA-N -1 1 356.373 0.610 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)CC1CCCCC1 ZINC001143112700 849475079 /nfs/dbraw/zinc/47/50/79/849475079.db2.gz AKLLIHXGJPCSTH-UHFFFAOYSA-N -1 1 352.391 0.713 10 0 FCAEMM COCc1nnc2n1CCN(C(=O)c1c(C)[n-]c(=O)nc1SC)C2 ZINC001165440620 850441600 /nfs/dbraw/zinc/44/16/00/850441600.db2.gz QNFVNTNAABCCHK-UHFFFAOYSA-N -1 1 350.404 0.606 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC001178126093 850887328 /nfs/dbraw/zinc/88/73/28/850887328.db2.gz NOYPXMHDVDYGLE-ANRSDYALSA-N -1 1 352.347 0.247 10 0 FCAEMM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001178904870 850938349 /nfs/dbraw/zinc/93/83/49/850938349.db2.gz BAWKFQCXHPYTLL-UHFFFAOYSA-N -1 1 360.296 0.837 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)o1 ZINC001181233240 851096215 /nfs/dbraw/zinc/09/62/15/851096215.db2.gz VSIVOFXVTMAZEL-RYUDHWBXSA-N -1 1 374.459 0.419 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001181697995 851128168 /nfs/dbraw/zinc/12/81/68/851128168.db2.gz IXBHAHLIAWLPLF-UHFFFAOYSA-N -1 1 363.321 0.742 10 0 FCAEMM COC(=O)[C@H](Cc1cncs1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001197542968 853128815 /nfs/dbraw/zinc/12/88/15/853128815.db2.gz OHGXHXYZGGLKFZ-LBPRGKRZSA-N -1 1 350.400 0.585 10 0 FCAEMM CC1(C)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@@]1=O ZINC001235542383 857426691 /nfs/dbraw/zinc/42/66/91/857426691.db2.gz CCAAYYSVVLDYHI-VWLOTQADSA-N -1 1 368.459 0.698 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)n[n-]1 ZINC001251471406 857725042 /nfs/dbraw/zinc/72/50/42/857725042.db2.gz CFILRRSBILLJAX-UHFFFAOYSA-N -1 1 360.355 0.006 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 ZINC001251471406 857725048 /nfs/dbraw/zinc/72/50/48/857725048.db2.gz CFILRRSBILLJAX-UHFFFAOYSA-N -1 1 360.355 0.006 10 0 FCAEMM C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001261482014 858564448 /nfs/dbraw/zinc/56/44/48/858564448.db2.gz XZSPFSXWJNNFAE-UHIISALHSA-N -1 1 369.443 0.704 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)CCCOC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264622699 859404216 /nfs/dbraw/zinc/40/42/16/859404216.db2.gz WBAGCDXWZGCONR-MELADBBJSA-N -1 1 353.467 0.640 10 0 FCAEMM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCOC2)C1)c1ncccc1[O-] ZINC001282148050 864084243 /nfs/dbraw/zinc/08/42/43/864084243.db2.gz CKAMRHWIAGDVDY-JKDFXYPNSA-N -1 1 351.378 0.931 10 0 FCAEMM CC[C@H](C)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001290677029 865487538 /nfs/dbraw/zinc/48/75/38/865487538.db2.gz JJZUNTPLLKFPAL-XQQFMLRXSA-N -1 1 350.419 0.078 10 0 FCAEMM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(N)c1 ZINC001295412509 865894528 /nfs/dbraw/zinc/89/45/28/865894528.db2.gz ZCHJHBBDURFNLH-VIFPVBQESA-N -1 1 350.404 0.205 10 0 FCAEMM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(N)c1 ZINC001295412508 865894973 /nfs/dbraw/zinc/89/49/73/865894973.db2.gz ZCHJHBBDURFNLH-SECBINFHSA-N -1 1 350.404 0.205 10 0 FCAEMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001296864147 865992895 /nfs/dbraw/zinc/99/28/95/865992895.db2.gz BTCCPENISDOREQ-HLTSFMKQSA-N -1 1 351.281 0.828 10 0 FCAEMM O=C(CC1CS(=O)(=O)C1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001297239670 866016802 /nfs/dbraw/zinc/01/68/02/866016802.db2.gz DZAZORUZQPWTAV-UHFFFAOYSA-N -1 1 356.366 0.338 10 0 FCAEMM CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)CCc2nn[n-]n2)C1 ZINC001297801200 866061133 /nfs/dbraw/zinc/06/11/33/866061133.db2.gz XYCCPRHTNLBNBM-LLVKDONJSA-N -1 1 354.411 0.275 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@H]1CCOC1 ZINC001349188063 866258137 /nfs/dbraw/zinc/25/81/37/866258137.db2.gz ZUHZEFRXOJCEPZ-UTUOFQBUSA-N -1 1 362.463 0.218 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@H]1CCOC1 ZINC001349188063 866258152 /nfs/dbraw/zinc/25/81/52/866258152.db2.gz ZUHZEFRXOJCEPZ-UTUOFQBUSA-N -1 1 362.463 0.218 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccnc(C(=O)OC)c2)co1 ZINC001301608770 866274300 /nfs/dbraw/zinc/27/43/00/866274300.db2.gz XZWJZRLIFVUBPG-UHFFFAOYSA-N -1 1 353.356 0.299 10 0 FCAEMM Clc1n[n-]c(-c2nnc(N3CCC4(COC4)C3)n2C[C@H]2CCOC2)n1 ZINC001349313271 866301719 /nfs/dbraw/zinc/30/17/19/866301719.db2.gz OILZJBKFZUNHFI-SNVBAGLBSA-N -1 1 365.825 0.980 10 0 FCAEMM CCOC(=O)CS[C@@H](CNC(=O)CCc1nn[n-]n1)C(F)(F)F ZINC001302853261 866360659 /nfs/dbraw/zinc/36/06/59/866360659.db2.gz IPDOOHCORLXMQM-ZETCQYMHSA-N -1 1 355.342 0.476 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001303202283 866390129 /nfs/dbraw/zinc/39/01/29/866390129.db2.gz XTBAQLXHTBZDPO-LLVKDONJSA-N -1 1 352.395 0.671 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001349841288 866459028 /nfs/dbraw/zinc/45/90/28/866459028.db2.gz TZRGAKNVNKSHGI-UVLXDEKHSA-N -1 1 351.447 0.591 10 0 FCAEMM Cn1nc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc1Br ZINC001350428030 866592640 /nfs/dbraw/zinc/59/26/40/866592640.db2.gz FSHMJHVANYCMDD-MRVPVSSYSA-N -1 1 354.212 0.791 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CC2(C1)C[C@H](O)CNC2=O ZINC001350582527 866635654 /nfs/dbraw/zinc/63/56/54/866635654.db2.gz FWSJNAAJEJMKEJ-VIFPVBQESA-N -1 1 355.188 0.478 10 0 FCAEMM CC(C)OCCS(=O)(=O)[N-]Cc1nc([C@H](C)c2cnccn2)no1 ZINC001351361162 866841030 /nfs/dbraw/zinc/84/10/30/866841030.db2.gz INAQKIBBJRKMHH-LLVKDONJSA-N -1 1 355.420 0.856 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)CCOC1 ZINC001351729565 866954695 /nfs/dbraw/zinc/95/46/95/866954695.db2.gz OQUXOECJIFUIPX-WFASDCNBSA-N -1 1 360.501 0.613 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)n1 ZINC001352793981 867255848 /nfs/dbraw/zinc/25/58/48/867255848.db2.gz QIECHYIZSMERDG-QMMMGPOBSA-N -1 1 354.212 0.791 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](CC(C)C)OC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001316737448 867432435 /nfs/dbraw/zinc/43/24/35/867432435.db2.gz MLBVACFTLSAFQC-MJBXVCDLSA-N -1 1 353.467 0.639 10 0 FCAEMM COCCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)CCC1 ZINC001316798133 867501118 /nfs/dbraw/zinc/50/11/18/867501118.db2.gz VSQQJDQWRVFEPD-OLZOCXBDSA-N -1 1 351.451 0.394 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccc(C[S@@](C)=O)c2)n[n-]1 ZINC001320662769 868235960 /nfs/dbraw/zinc/23/59/60/868235960.db2.gz TXIHHLHEAQCOJK-XMMPIXPASA-N -1 1 350.400 0.790 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(C[S@@](C)=O)c2)n1 ZINC001320662769 868235979 /nfs/dbraw/zinc/23/59/79/868235979.db2.gz TXIHHLHEAQCOJK-XMMPIXPASA-N -1 1 350.400 0.790 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1COC2=O ZINC001321453662 868479657 /nfs/dbraw/zinc/47/96/57/868479657.db2.gz IMNSHIXIFHVXOT-ZDUSSCGKSA-N -1 1 368.411 0.574 10 0 FCAEMM CC(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001344024042 870708278 /nfs/dbraw/zinc/70/82/78/870708278.db2.gz LOXMBMKMUNQIPU-CHWSQXEVSA-N -1 1 350.419 0.126 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)C[C@@H](C)S1 ZINC001344455222 870891051 /nfs/dbraw/zinc/89/10/51/870891051.db2.gz OLTYXFMHTUJSDE-GMTAPVOTSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)C[C@@H](C)S1 ZINC001344455222 870891065 /nfs/dbraw/zinc/89/10/65/870891065.db2.gz OLTYXFMHTUJSDE-GMTAPVOTSA-N -1 1 350.452 0.825 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCS(=O)(=O)CCO1 ZINC001346600346 871924268 /nfs/dbraw/zinc/92/42/68/871924268.db2.gz XGMGOHSBEZRCBS-UHFFFAOYSA-N -1 1 350.343 0.585 10 0 FCAEMM COc1ccc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(OC)c1 ZINC001347144760 872181815 /nfs/dbraw/zinc/18/18/15/872181815.db2.gz AMWFQCNRCMRLFJ-PIGZYNQJSA-N -1 1 350.371 0.675 10 0 FCAEMM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001347671905 872445949 /nfs/dbraw/zinc/44/59/49/872445949.db2.gz MPGJJMRICOOXBA-UWVGGRQHSA-N -1 1 360.340 0.392 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2nc(C)no2)o1 ZINC001348481218 872710719 /nfs/dbraw/zinc/71/07/19/872710719.db2.gz LLCUBXJXELOJRR-KCJUWKMLSA-N -1 1 356.360 0.139 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001330674338 872758534 /nfs/dbraw/zinc/75/85/34/872758534.db2.gz HWLGKCJCYDGJIE-AWEZNQCLSA-N -1 1 368.411 0.574 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)c(=O)c2c(OC)c1 ZINC001331664514 873185464 /nfs/dbraw/zinc/18/54/64/873185464.db2.gz QVPBJBIGOHXQQG-CAOHOXQTSA-N -1 1 362.407 0.891 10 0 FCAEMM Cn1cc(CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC001333265259 873883489 /nfs/dbraw/zinc/88/34/89/873883489.db2.gz VBMKYSBSUXIGNQ-UHFFFAOYSA-N -1 1 352.341 0.422 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCSC1 ZINC000293223506 214156390 /nfs/dbraw/zinc/15/63/90/214156390.db2.gz VPBHNKVHPZDREO-SNVBAGLBSA-N -1 1 373.378 0.766 10 0 FCAEMM COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000293840191 214204811 /nfs/dbraw/zinc/20/48/11/214204811.db2.gz WHUMVTFATJGIPQ-NSHDSACASA-N -1 1 371.415 0.253 10 0 FCAEMM C[C@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000296100475 214331664 /nfs/dbraw/zinc/33/16/64/214331664.db2.gz ZWGFQJOAYUYPIH-SECBINFHSA-N -1 1 371.463 0.001 10 0 FCAEMM C[C@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000296100475 214331666 /nfs/dbraw/zinc/33/16/66/214331666.db2.gz ZWGFQJOAYUYPIH-SECBINFHSA-N -1 1 371.463 0.001 10 0 FCAEMM C[C@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1n[n-]c(C(C)(C)C)n1 ZINC000296100475 214331669 /nfs/dbraw/zinc/33/16/69/214331669.db2.gz ZWGFQJOAYUYPIH-SECBINFHSA-N -1 1 371.463 0.001 10 0 FCAEMM COC(=O)c1cccc([C@H](C(=O)OC)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289462985 213873828 /nfs/dbraw/zinc/87/38/28/213873828.db2.gz QFNBOQKREIOACZ-UONOGXRCSA-N -1 1 374.397 0.978 10 0 FCAEMM C[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)c1ccn(C)n1 ZINC000930832787 674065433 /nfs/dbraw/zinc/06/54/33/674065433.db2.gz COQCLSIRNSCBSU-VIFPVBQESA-N -1 1 352.341 0.940 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H](C)C(=O)c3ccc([O-])cc3)C[C@H]21 ZINC000931026325 674088024 /nfs/dbraw/zinc/08/80/24/674088024.db2.gz VFUROTTWYIEQJG-KSYCFECVSA-N -1 1 353.440 0.955 10 0 FCAEMM CN1CC[C@H]2OCCN(C(=O)c3cc(F)ccc3[N-]S(C)(=O)=O)[C@@H]2C1 ZINC000284865166 213237625 /nfs/dbraw/zinc/23/76/25/213237625.db2.gz DUDAZHCGHKOGQK-HUUCEWRRSA-N -1 1 371.434 0.742 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000366709474 216019891 /nfs/dbraw/zinc/01/98/91/216019891.db2.gz JZNVAXBJIHVAGE-KGLIPLIRSA-N -1 1 363.466 0.983 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000366709476 216020858 /nfs/dbraw/zinc/02/08/58/216020858.db2.gz JZNVAXBJIHVAGE-ZIAGYGMSSA-N -1 1 363.466 0.983 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367116809 216077759 /nfs/dbraw/zinc/07/77/59/216077759.db2.gz IFVWNOUXBTVHGD-STQMWFEESA-N -1 1 370.479 0.500 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)co1 ZINC000369030870 216334586 /nfs/dbraw/zinc/33/45/86/216334586.db2.gz ZIVWMHKGLAJPGU-UFGOTCBOSA-N -1 1 356.400 0.601 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000276236438 212192469 /nfs/dbraw/zinc/19/24/69/212192469.db2.gz TYUBTLAFZOQNCL-VCTAVGKDSA-N -1 1 355.412 0.932 10 0 FCAEMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3cnc([O-])n(C)c3=O)C1)CCCC2 ZINC000275452003 212029612 /nfs/dbraw/zinc/02/96/12/212029612.db2.gz FFKNUUAXVWMWIC-LBPRGKRZSA-N -1 1 357.414 0.957 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275028889 211950790 /nfs/dbraw/zinc/95/07/90/211950790.db2.gz TYUYDUHIYAJZTI-CQSZACIVSA-N -1 1 369.443 0.264 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000375392728 217259050 /nfs/dbraw/zinc/25/90/50/217259050.db2.gz ORZAQUKAVYDJBH-GHMZBOCLSA-N -1 1 374.415 0.370 10 0 FCAEMM C[C@H]1CCCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@@H]1C(=O)[O-] ZINC000424269784 247194128 /nfs/dbraw/zinc/19/41/28/247194128.db2.gz XITQYWFWCPGXOH-ZBEGNZNMSA-N -1 1 371.393 0.970 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)C(=O)[O-] ZINC000424497195 247240596 /nfs/dbraw/zinc/24/05/96/247240596.db2.gz UTVQEUBLBZSKLB-AWEZNQCLSA-N -1 1 353.463 0.936 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)NC)c2ccccc2)o1 ZINC000435945178 248026557 /nfs/dbraw/zinc/02/65/57/248026557.db2.gz UPGNXNLEBNYKMP-GFCCVEGCSA-N -1 1 365.411 0.795 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)[n-]1 ZINC000444631359 248366173 /nfs/dbraw/zinc/36/61/73/248366173.db2.gz UJJMCWKQDPOMJA-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)n[n-]1 ZINC000444631359 248366176 /nfs/dbraw/zinc/36/61/76/248366176.db2.gz UJJMCWKQDPOMJA-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3ccn(C)n3)CC2)n1 ZINC000445225561 248376570 /nfs/dbraw/zinc/37/65/70/248376570.db2.gz QYVQZIIEXYMBQR-UHFFFAOYSA-N -1 1 361.406 0.804 10 0 FCAEMM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000469908688 250010954 /nfs/dbraw/zinc/01/09/54/250010954.db2.gz QSMNVEWGIXHSQX-VXGBXAGGSA-N -1 1 371.459 0.989 10 0 FCAEMM Cn1cc(C[C@H](O)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC000469818718 250005114 /nfs/dbraw/zinc/00/51/14/250005114.db2.gz ILLJLCYECMEGAW-ZDUSSCGKSA-N -1 1 356.379 0.473 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)o1 ZINC000470040018 250022834 /nfs/dbraw/zinc/02/28/34/250022834.db2.gz YZHKZEIDVODHEB-INIZCTEOSA-N -1 1 372.443 0.988 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(OC)cc1OC ZINC000472616790 250167970 /nfs/dbraw/zinc/16/79/70/250167970.db2.gz FHYLOTAVYGDZGA-XHDPSFHLSA-N -1 1 373.427 0.874 10 0 FCAEMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000410027119 533012044 /nfs/dbraw/zinc/01/20/44/533012044.db2.gz CCOSWXKJHGELKN-QWHCGFSZSA-N -1 1 372.425 0.926 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000114413208 208313654 /nfs/dbraw/zinc/31/36/54/208313654.db2.gz VJQVFYBIBFFCGP-SNVBAGLBSA-N -1 1 357.370 0.667 10 0 FCAEMM NC(=O)c1[nH]nnc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855097 230275220 /nfs/dbraw/zinc/27/52/20/230275220.db2.gz BBGJCDIWKPEOSL-LLVKDONJSA-N -1 1 374.376 0.463 10 0 FCAEMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)s1 ZINC000287528614 488878228 /nfs/dbraw/zinc/87/82/28/488878228.db2.gz UIVQESUIYDHFDE-ZCFIWIBFSA-N -1 1 355.365 0.333 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323884783 488904495 /nfs/dbraw/zinc/90/44/95/488904495.db2.gz LXBDPYMDVNRTEL-LBPRGKRZSA-N -1 1 353.356 0.171 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000326234161 488913864 /nfs/dbraw/zinc/91/38/64/488913864.db2.gz QMDODGKZQBOIFZ-GFCCVEGCSA-N -1 1 353.356 0.171 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCCCC2)c(=O)n(C)c1=O ZINC000328850896 488943582 /nfs/dbraw/zinc/94/35/82/488943582.db2.gz RUUHGSXSKYGQLK-STQMWFEESA-N -1 1 355.460 0.579 10 0 FCAEMM CN1CCCc2ccc(S(=O)(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cc21 ZINC000364414640 488957590 /nfs/dbraw/zinc/95/75/90/488957590.db2.gz FNNSZFRTMUAEDJ-CQSZACIVSA-N -1 1 364.427 0.766 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)cc1 ZINC000024431695 487645624 /nfs/dbraw/zinc/64/56/24/487645624.db2.gz VZLJFDCPKDTSEP-UHFFFAOYSA-N -1 1 363.395 0.711 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000025376219 487664707 /nfs/dbraw/zinc/66/47/07/487664707.db2.gz KRBMGKVFUDSOEM-RKDXNWHRSA-N -1 1 369.365 0.483 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000025376222 487664842 /nfs/dbraw/zinc/66/48/42/487664842.db2.gz KRBMGKVFUDSOEM-BDAKNGLRSA-N -1 1 369.365 0.483 10 0 FCAEMM O=C(NCCS(=O)(=O)NCC1CCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000069032007 488370444 /nfs/dbraw/zinc/37/04/44/488370444.db2.gz JKZUIXNQENOKFP-UHFFFAOYSA-N -1 1 364.427 0.372 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccccn3)CC2)o1 ZINC000186443922 488406662 /nfs/dbraw/zinc/40/66/62/488406662.db2.gz UOMUMPHDZQFSGR-UHFFFAOYSA-N -1 1 364.427 0.935 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000268353335 488410832 /nfs/dbraw/zinc/41/08/32/488410832.db2.gz RTPNGWRJZFHQFZ-UHFFFAOYSA-N -1 1 354.428 0.461 10 0 FCAEMM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(I)c([O-])c1 ZINC000230903642 488452911 /nfs/dbraw/zinc/45/29/11/488452911.db2.gz PSVREYIMDVDDMU-MRVPVSSYSA-N -1 1 374.134 0.532 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000101664304 488495270 /nfs/dbraw/zinc/49/52/70/488495270.db2.gz UXNQLIBWIFOCRO-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)[n-]1 ZINC000101664304 488495272 /nfs/dbraw/zinc/49/52/72/488495272.db2.gz UXNQLIBWIFOCRO-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM O=C(Cc1cc[nH]n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000265911774 488722245 /nfs/dbraw/zinc/72/22/45/488722245.db2.gz RAJOHPCWNHGVNV-UHFFFAOYSA-N -1 1 366.399 0.317 10 0 FCAEMM COCc1nc2n(n1)C[C@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000152837865 488723568 /nfs/dbraw/zinc/72/35/68/488723568.db2.gz SVYUXGJXYADRBL-SNVBAGLBSA-N -1 1 354.370 0.406 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)co1 ZINC000153422094 488731056 /nfs/dbraw/zinc/73/10/56/488731056.db2.gz ORLNGARSTTXTLE-LBPRGKRZSA-N -1 1 367.431 0.320 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])oc1C ZINC000274925532 488744488 /nfs/dbraw/zinc/74/44/88/488744488.db2.gz BZGCQEYSRRSRFQ-GFCCVEGCSA-N -1 1 374.415 0.592 10 0 FCAEMM CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000155946697 488760664 /nfs/dbraw/zinc/76/06/64/488760664.db2.gz HBRYVQVVDXOEJI-JTQLQIEISA-N -1 1 353.404 0.607 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)co1 ZINC000156277139 488763455 /nfs/dbraw/zinc/76/34/55/488763455.db2.gz QXDCGJKQPWXFNY-NSHDSACASA-N -1 1 367.431 0.647 10 0 FCAEMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)C[C@@H](C)O1 ZINC000267697835 488813119 /nfs/dbraw/zinc/81/31/19/488813119.db2.gz PRJQBCQHCJRXRU-UPJWGTAASA-N -1 1 350.419 0.200 10 0 FCAEMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)C[C@H](C)O1 ZINC000267697827 488813278 /nfs/dbraw/zinc/81/32/78/488813278.db2.gz PRJQBCQHCJRXRU-FRRDWIJNSA-N -1 1 350.419 0.200 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[n-]4)C3)n2)CC1 ZINC000563196484 491226469 /nfs/dbraw/zinc/22/64/69/491226469.db2.gz ZOLWEKGYDCODAB-ZDUSSCGKSA-N -1 1 371.445 0.677 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cn1C ZINC000280264329 488993432 /nfs/dbraw/zinc/99/34/32/488993432.db2.gz KBMKCSKRTONOSP-JTQLQIEISA-N -1 1 367.431 0.803 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)co1 ZINC000280651699 489022615 /nfs/dbraw/zinc/02/26/15/489022615.db2.gz UQXULZKCINYBIW-HNNXBMFYSA-N -1 1 358.416 0.598 10 0 FCAEMM CC(C)(C)c1cc(CS(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])no1 ZINC000563227712 491229363 /nfs/dbraw/zinc/22/93/63/491229363.db2.gz ZJSVVJIARHFKOH-LLVKDONJSA-N -1 1 356.404 0.811 10 0 FCAEMM CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289167449 489046500 /nfs/dbraw/zinc/04/65/00/489046500.db2.gz FDOMOBGQZUVNGE-CYBMUJFWSA-N -1 1 372.429 0.618 10 0 FCAEMM COc1ccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1OC ZINC000289399897 489065121 /nfs/dbraw/zinc/06/51/21/489065121.db2.gz KXUXZUXUIKZHGM-NSHDSACASA-N -1 1 361.402 0.933 10 0 FCAEMM Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289543634 489075764 /nfs/dbraw/zinc/07/57/64/489075764.db2.gz WVWOLWWCNLXBLX-CQSZACIVSA-N -1 1 359.430 0.781 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)cnc2n1 ZINC000365597974 489091817 /nfs/dbraw/zinc/09/18/17/489091817.db2.gz JPESDJTWXQJVBN-KRWDZBQOSA-N -1 1 355.354 0.458 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@]3(C1)NC(=O)NC3=O)c2=O ZINC000365597974 489091818 /nfs/dbraw/zinc/09/18/18/489091818.db2.gz JPESDJTWXQJVBN-KRWDZBQOSA-N -1 1 355.354 0.458 10 0 FCAEMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2c(C)onc2N)(C(=O)OC)C1(C)C ZINC000289770740 489091951 /nfs/dbraw/zinc/09/19/51/489091951.db2.gz HMURESQDXGFVJH-YMTOWFKASA-N -1 1 361.420 0.590 10 0 FCAEMM CO[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CC1 ZINC000281653030 489094506 /nfs/dbraw/zinc/09/45/06/489094506.db2.gz RXSPDNAXNPCFDL-HNNXBMFYSA-N -1 1 370.427 0.777 10 0 FCAEMM CO[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CC1 ZINC000281653031 489094598 /nfs/dbraw/zinc/09/45/98/489094598.db2.gz RXSPDNAXNPCFDL-OAHLLOKOSA-N -1 1 370.427 0.777 10 0 FCAEMM CCN(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@@H]1CCOC1 ZINC000570375986 491237084 /nfs/dbraw/zinc/23/70/84/491237084.db2.gz SKYREMAHFYXYKO-CQSZACIVSA-N -1 1 364.446 0.897 10 0 FCAEMM O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282836722 489193357 /nfs/dbraw/zinc/19/33/57/489193357.db2.gz DYHYPRHJXLSNBU-CABCVRRESA-N -1 1 369.425 0.853 10 0 FCAEMM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282879750 489196950 /nfs/dbraw/zinc/19/69/50/489196950.db2.gz JISNPANRQJKMIP-ZDUSSCGKSA-N -1 1 373.413 0.633 10 0 FCAEMM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C1=O ZINC000282957839 489201474 /nfs/dbraw/zinc/20/14/74/489201474.db2.gz QZOYBJJQJROOCR-NEPJUHHUSA-N -1 1 371.397 0.618 10 0 FCAEMM O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283022265 489207474 /nfs/dbraw/zinc/20/74/74/489207474.db2.gz XPDRAOGNXUDAJJ-JTQLQIEISA-N -1 1 359.415 0.819 10 0 FCAEMM CCO[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298687188 489353159 /nfs/dbraw/zinc/35/31/59/489353159.db2.gz BONITBRBXQFHCR-WFASDCNBSA-N -1 1 370.427 0.777 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425226052 489518138 /nfs/dbraw/zinc/51/81/38/489518138.db2.gz MEPCQMPGCAARHH-CYBMUJFWSA-N -1 1 359.448 0.801 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000372158795 489553376 /nfs/dbraw/zinc/55/33/76/489553376.db2.gz WEELOPJFRRZBEG-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000372158795 489553379 /nfs/dbraw/zinc/55/33/79/489553379.db2.gz WEELOPJFRRZBEG-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM CCOC(=O)[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC12COC2 ZINC000454264301 489566876 /nfs/dbraw/zinc/56/68/76/489566876.db2.gz LRJWKTZOEIXMJN-GFCCVEGCSA-N -1 1 357.366 0.575 10 0 FCAEMM Cc1cnc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000427641070 489616470 /nfs/dbraw/zinc/61/64/70/489616470.db2.gz DGIDGANEPJLPHI-JTQLQIEISA-N -1 1 356.425 0.722 10 0 FCAEMM Cc1cnc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000427641071 489616534 /nfs/dbraw/zinc/61/65/34/489616534.db2.gz DGIDGANEPJLPHI-SNVBAGLBSA-N -1 1 356.425 0.722 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000429491412 489689910 /nfs/dbraw/zinc/68/99/10/489689910.db2.gz LDFMTMAUFFGCDE-QWRGUYRKSA-N -1 1 374.397 0.830 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000429491412 489689914 /nfs/dbraw/zinc/68/99/14/489689914.db2.gz LDFMTMAUFFGCDE-QWRGUYRKSA-N -1 1 374.397 0.830 10 0 FCAEMM COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000430310921 489730103 /nfs/dbraw/zinc/73/01/03/489730103.db2.gz GCHDLLPZIHRIKV-SNVBAGLBSA-N -1 1 365.415 0.424 10 0 FCAEMM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430311199 489730128 /nfs/dbraw/zinc/73/01/28/489730128.db2.gz HNQMYZPVICJHMI-CYBMUJFWSA-N -1 1 357.418 0.829 10 0 FCAEMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ncc(C)cc2[O-])C1 ZINC000460275882 489861259 /nfs/dbraw/zinc/86/12/59/489861259.db2.gz IULBZJGGHDAMHN-ZDUSSCGKSA-N -1 1 363.414 0.969 10 0 FCAEMM CO[C@@H](C)[C@@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000461271093 489901117 /nfs/dbraw/zinc/90/11/17/489901117.db2.gz OLSVPCAALILJLQ-YPMHNXCESA-N -1 1 352.435 0.799 10 0 FCAEMM COc1ccc(OC)c(NC(=O)C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000476753455 489914079 /nfs/dbraw/zinc/91/40/79/489914079.db2.gz IGESXTQVUBDZAJ-UHFFFAOYSA-N -1 1 360.374 0.741 10 0 FCAEMM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000477023164 489932301 /nfs/dbraw/zinc/93/23/01/489932301.db2.gz XIJMZTWGYVMNPG-WRBXQSRGSA-N -1 1 361.406 0.052 10 0 FCAEMM COc1cc(OC)cc(N2C[C@@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)c1 ZINC000477038721 489935469 /nfs/dbraw/zinc/93/54/69/489935469.db2.gz VMMBAKRULBCSFH-JTQLQIEISA-N -1 1 372.385 0.375 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)o1 ZINC000479177443 490071754 /nfs/dbraw/zinc/07/17/54/490071754.db2.gz LSAOWDLTTBZACS-UHFFFAOYSA-N -1 1 356.356 0.644 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC2CCN(S(C)(=O)=O)CC2)sc1C ZINC000532801230 490120084 /nfs/dbraw/zinc/12/00/84/490120084.db2.gz QQQQNISQIZAJPH-UHFFFAOYSA-N -1 1 367.518 0.710 10 0 FCAEMM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533113846 490177601 /nfs/dbraw/zinc/17/76/01/490177601.db2.gz RVZVMIZLMXTNOT-KGLIPLIRSA-N -1 1 368.397 0.425 10 0 FCAEMM Cn1ccnc1CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000520692176 490180848 /nfs/dbraw/zinc/18/08/48/490180848.db2.gz PCRDJPCOYZZAJI-UHFFFAOYSA-N -1 1 352.398 0.615 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)co1 ZINC000497624616 490184574 /nfs/dbraw/zinc/18/45/74/490184574.db2.gz SWEVHQJNWUUXSV-CQSZACIVSA-N -1 1 354.388 0.934 10 0 FCAEMM CCOC(=O)[C@@H](CCOC)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000466746691 490209847 /nfs/dbraw/zinc/20/98/47/490209847.db2.gz XCTOGXOKYRKTSO-CYBMUJFWSA-N -1 1 364.402 0.679 10 0 FCAEMM O=C(NCCc1nc(=O)o[n-]1)c1n[nH]c2ccc(Br)cc21 ZINC000447633249 490247939 /nfs/dbraw/zinc/24/79/39/490247939.db2.gz WRFNAVVFRVWOIB-UHFFFAOYSA-N -1 1 352.148 0.974 10 0 FCAEMM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000534198384 490331054 /nfs/dbraw/zinc/33/10/54/490331054.db2.gz UIOMQEUJZHVDPH-UHFFFAOYSA-N -1 1 365.415 0.238 10 0 FCAEMM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000534198384 490331058 /nfs/dbraw/zinc/33/10/58/490331058.db2.gz UIOMQEUJZHVDPH-UHFFFAOYSA-N -1 1 365.415 0.238 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000547642925 490333304 /nfs/dbraw/zinc/33/33/04/490333304.db2.gz LZCKYWXFCFZTAP-GFCCVEGCSA-N -1 1 364.420 0.343 10 0 FCAEMM C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000499260674 490404733 /nfs/dbraw/zinc/40/47/33/490404733.db2.gz HOTCSPBGNDMGLE-RISCZKNCSA-N -1 1 356.386 0.121 10 0 FCAEMM Cc1nnnn1-c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(F)c1 ZINC000449929474 490436539 /nfs/dbraw/zinc/43/65/39/490436539.db2.gz RXNZTQJZJVYFHS-UHFFFAOYSA-N -1 1 357.353 0.822 10 0 FCAEMM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468953670 490468829 /nfs/dbraw/zinc/46/88/29/490468829.db2.gz LZLZFTKJUIZNMG-VXGBXAGGSA-N -1 1 371.459 0.988 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cn1 ZINC000548551307 490504087 /nfs/dbraw/zinc/50/40/87/490504087.db2.gz PNZFMIJOTGBSBX-ZDUSSCGKSA-N -1 1 371.415 0.086 10 0 FCAEMM COC(=O)[C@@]1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCSC1 ZINC000536249987 490564548 /nfs/dbraw/zinc/56/45/48/490564548.db2.gz VOAFIEQTRRGDGR-MRXNPFEDSA-N -1 1 364.427 0.759 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c(C(F)(F)F)n1 ZINC000549341006 490576636 /nfs/dbraw/zinc/57/66/36/490576636.db2.gz YJOCHQKFXYEIOO-UHFFFAOYSA-N -1 1 354.354 0.761 10 0 FCAEMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)OC)cc1 ZINC000486128789 490592963 /nfs/dbraw/zinc/59/29/63/490592963.db2.gz VLKLYLHWBIGWBE-UHFFFAOYSA-N -1 1 364.445 0.680 10 0 FCAEMM C[C@@H](OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1nccn1C ZINC000486960188 490682050 /nfs/dbraw/zinc/68/20/50/490682050.db2.gz ABKQCMKANIRJKA-SECBINFHSA-N -1 1 354.388 0.489 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccsc2)o1 ZINC000512561603 490688028 /nfs/dbraw/zinc/68/80/28/490688028.db2.gz YRNFTLSAIKDIJC-UHFFFAOYSA-N -1 1 357.413 0.077 10 0 FCAEMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512608666 490689748 /nfs/dbraw/zinc/68/97/48/490689748.db2.gz WSMJYUWMMFFWQF-VIFPVBQESA-N -1 1 357.436 0.431 10 0 FCAEMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512608666 490689751 /nfs/dbraw/zinc/68/97/51/490689751.db2.gz WSMJYUWMMFFWQF-VIFPVBQESA-N -1 1 357.436 0.431 10 0 FCAEMM O=C(CSCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1CCCCC1 ZINC000538224262 490720548 /nfs/dbraw/zinc/72/05/48/490720548.db2.gz SDQAQPLXMOHPEF-LBPRGKRZSA-N -1 1 352.464 0.651 10 0 FCAEMM CNC(=O)NC[C@H]1CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000528122535 490779442 /nfs/dbraw/zinc/77/94/42/490779442.db2.gz XSZZVHMRAPIAIG-AWEZNQCLSA-N -1 1 372.429 0.995 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)COc3cnn(C)c3)CC2)n1 ZINC000505138428 490821167 /nfs/dbraw/zinc/82/11/67/490821167.db2.gz CFUKJNZCOIWPID-UHFFFAOYSA-N -1 1 362.390 0.500 10 0 FCAEMM CCn1ncc(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)n1 ZINC000528997477 490836032 /nfs/dbraw/zinc/83/60/32/490836032.db2.gz ZHUXBFXXVARFTQ-UHFFFAOYSA-N -1 1 368.419 1.000 10 0 FCAEMM NS(=O)(=O)c1ccc(OCCN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530170527 490892170 /nfs/dbraw/zinc/89/21/70/490892170.db2.gz SZBNQRDLBKUVMN-HNNXBMFYSA-N -1 1 366.395 0.990 10 0 FCAEMM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000543099753 490922332 /nfs/dbraw/zinc/92/23/32/490922332.db2.gz LNMUSZLFLLKPFO-SNVBAGLBSA-N -1 1 363.395 0.760 10 0 FCAEMM Cn1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cn1 ZINC000559806501 491501285 /nfs/dbraw/zinc/50/12/85/491501285.db2.gz URVYTYWLGDFQCV-UHFFFAOYSA-N -1 1 366.399 0.756 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000575803701 491562012 /nfs/dbraw/zinc/56/20/12/491562012.db2.gz YGVYKFDXMUUKOJ-KBMXLJTQSA-N -1 1 361.442 0.975 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C1CC1 ZINC000569217817 491642608 /nfs/dbraw/zinc/64/26/08/491642608.db2.gz UQPQNAKRQCQEOQ-WDEREUQCSA-N -1 1 370.435 0.896 10 0 FCAEMM COCc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000580082078 491716804 /nfs/dbraw/zinc/71/68/04/491716804.db2.gz PAWCWZYHYSQXAN-GFCCVEGCSA-N -1 1 369.399 0.539 10 0 FCAEMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)NC1CCOCC1 ZINC000580514202 491734131 /nfs/dbraw/zinc/73/41/31/491734131.db2.gz MYQMEFWCXHCKPA-UHFFFAOYSA-N -1 1 350.400 0.541 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)NC1CCOCC1 ZINC000580514202 491734132 /nfs/dbraw/zinc/73/41/32/491734132.db2.gz MYQMEFWCXHCKPA-UHFFFAOYSA-N -1 1 350.400 0.541 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CN3c4ccccc4O[C@H](C)C3=O)nc2n1 ZINC000588006205 491737273 /nfs/dbraw/zinc/73/72/73/491737273.db2.gz QKUCBKHPDZGVHH-SNVBAGLBSA-N -1 1 368.353 0.479 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc(-c3ccccn3)s2)[n-]1 ZINC000590105765 491769788 /nfs/dbraw/zinc/76/97/88/491769788.db2.gz QGOBPFDXEHFGPU-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc(-c3ccccn3)s2)n[n-]1 ZINC000590105765 491769789 /nfs/dbraw/zinc/76/97/89/491769789.db2.gz QGOBPFDXEHFGPU-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CCOC(=O)C[C@@H](CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000590554491 491779096 /nfs/dbraw/zinc/77/90/96/491779096.db2.gz CYRXUCQOXNLCSM-ZDUSSCGKSA-N -1 1 374.397 0.525 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccnn1C ZINC000592089836 491831317 /nfs/dbraw/zinc/83/13/17/491831317.db2.gz ASUJUFWNZFOYJF-AWEZNQCLSA-N -1 1 369.399 0.630 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1scnc1C)c1ccnn1C ZINC000592098458 491832105 /nfs/dbraw/zinc/83/21/05/491832105.db2.gz WBLIODRXYMIUSC-GFCCVEGCSA-N -1 1 358.445 0.561 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccnn1C ZINC000592095380 491832126 /nfs/dbraw/zinc/83/21/26/491832126.db2.gz ZZENPJXBVWAHJX-CQSZACIVSA-N -1 1 351.384 0.643 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccnn1C ZINC000592097607 491832168 /nfs/dbraw/zinc/83/21/68/491832168.db2.gz RAVIUAQYMMBMQP-HNNXBMFYSA-N -1 1 367.427 0.770 10 0 FCAEMM O=S(=O)([N-]CC1(O)CCS(=O)(=O)CC1)c1c(F)cccc1Cl ZINC000583194769 491839844 /nfs/dbraw/zinc/83/98/44/491839844.db2.gz QBDWHMYVHIHVFY-UHFFFAOYSA-N -1 1 371.839 0.697 10 0 FCAEMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000583824743 491852823 /nfs/dbraw/zinc/85/28/23/491852823.db2.gz ISTTUSKJEVHQPT-UHFFFAOYSA-N -1 1 371.337 0.362 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000594850238 491866613 /nfs/dbraw/zinc/86/66/13/491866613.db2.gz VQSZCNYGCKYUCI-WPRPVWTQSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000594866932 491868419 /nfs/dbraw/zinc/86/84/19/491868419.db2.gz VPFMPMPPCXUYIF-JSGCOSHPSA-N -1 1 355.428 0.639 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000601314607 491903455 /nfs/dbraw/zinc/90/34/55/491903455.db2.gz KZROJYSYFDENEW-GJZGRUSLSA-N -1 1 368.455 0.701 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@H](C(=O)OC)c2ccc(F)c(C)c2)CC1=O ZINC000601394886 491912621 /nfs/dbraw/zinc/91/26/21/491912621.db2.gz YLMWRIGCLOZWEW-DOMZBBRYSA-N -1 1 372.418 0.888 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@H](N3CCOCC3)C2(C)C)c1 ZINC000601452641 491921166 /nfs/dbraw/zinc/92/11/66/491921166.db2.gz LNNRFKHFXMXDIG-OLZOCXBDSA-N -1 1 372.443 0.844 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 ZINC000601452640 491921510 /nfs/dbraw/zinc/92/15/10/491921510.db2.gz LNNRFKHFXMXDIG-CHWSQXEVSA-N -1 1 372.443 0.844 10 0 FCAEMM O=C(NC[C@@H]1CN2CCN1CCC2)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000614506030 492034235 /nfs/dbraw/zinc/03/42/35/492034235.db2.gz DJQYXCCBXFXYLB-OAHLLOKOSA-N -1 1 359.405 0.837 10 0 FCAEMM COc1ccc(-n2cc([O-])c(C(=O)NC[C@H]3CN4CCN3CCC4)n2)cc1 ZINC000614506953 492035266 /nfs/dbraw/zinc/03/52/66/492035266.db2.gz KGRVXRKPGIEQIC-HNNXBMFYSA-N -1 1 371.441 0.706 10 0 FCAEMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3cnn(-c4ccncc4)c3)ccc21 ZINC000597679000 492058882 /nfs/dbraw/zinc/05/88/82/492058882.db2.gz PIMUSICBEHRJRO-UHFFFAOYSA-N -1 1 369.362 0.952 10 0 FCAEMM CCOC(=O)C[C@@H](CO)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000597680526 492059155 /nfs/dbraw/zinc/05/91/55/492059155.db2.gz FRFKSNRVWYTSIQ-ZDUSSCGKSA-N -1 1 374.397 0.113 10 0 FCAEMM Cc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)c2ncc(C)cc2O)c([O-])c1 ZINC000615215481 492078670 /nfs/dbraw/zinc/07/86/70/492078670.db2.gz KVXGEAKRSBLDPU-GFCCVEGCSA-N -1 1 374.397 0.368 10 0 FCAEMM Cc1cnc(C(=O)NC[C@@H](O)CN(C)C(=O)c2ncc(C)cc2O)c([O-])c1 ZINC000615215481 492078671 /nfs/dbraw/zinc/07/86/71/492078671.db2.gz KVXGEAKRSBLDPU-GFCCVEGCSA-N -1 1 374.397 0.368 10 0 FCAEMM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605530960 492098011 /nfs/dbraw/zinc/09/80/11/492098011.db2.gz FOKUXGCSXZZYBI-UHFFFAOYSA-N -1 1 361.406 0.340 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC000615918547 492106943 /nfs/dbraw/zinc/10/69/43/492106943.db2.gz UJTVSWVVIGIBRW-SNVBAGLBSA-N -1 1 351.407 0.683 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)n1 ZINC000615918547 492106946 /nfs/dbraw/zinc/10/69/46/492106946.db2.gz UJTVSWVVIGIBRW-SNVBAGLBSA-N -1 1 351.407 0.683 10 0 FCAEMM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000616442305 492132363 /nfs/dbraw/zinc/13/23/63/492132363.db2.gz OWEYTXSQZAKRTG-NSHDSACASA-N -1 1 353.343 0.564 10 0 FCAEMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599314971 492159055 /nfs/dbraw/zinc/15/90/55/492159055.db2.gz CEMQVIHVUUXPTM-CQSZACIVSA-N -1 1 367.370 0.817 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c(=O)n(C)c1=O ZINC000608036677 492163992 /nfs/dbraw/zinc/16/39/92/492163992.db2.gz VAUDDDZIHJIJTJ-AWEZNQCLSA-N -1 1 363.439 0.904 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1c(C)onc1N ZINC000599402984 492168757 /nfs/dbraw/zinc/16/87/57/492168757.db2.gz JJDGYNHCOBJANG-LBPRGKRZSA-N -1 1 369.399 0.636 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)o1 ZINC000617526578 492174090 /nfs/dbraw/zinc/17/40/90/492174090.db2.gz BZLKCDYQVYBWJA-QJPTWQEYSA-N -1 1 360.432 0.484 10 0 FCAEMM CO[C@]1(CO)CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000617794694 492192334 /nfs/dbraw/zinc/19/23/34/492192334.db2.gz KCUZZUOKJFNFFX-LJQANCHMSA-N -1 1 372.425 0.683 10 0 FCAEMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCCCC1 ZINC000620370214 492305471 /nfs/dbraw/zinc/30/54/71/492305471.db2.gz HRQZUZYCPFFUMP-LLVKDONJSA-N -1 1 371.459 0.989 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)o1 ZINC000620411338 492308028 /nfs/dbraw/zinc/30/80/28/492308028.db2.gz QJLSFOKUUPINKV-NSHDSACASA-N -1 1 357.432 0.565 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NC[C@](C)(CO)OC)c(=O)c2c(OC)c1 ZINC000628013826 492444874 /nfs/dbraw/zinc/44/48/74/492444874.db2.gz FPMVTTUYGCQZPK-QGZVFWFLSA-N -1 1 350.371 0.673 10 0 FCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871139 492491644 /nfs/dbraw/zinc/49/16/44/492491644.db2.gz ROWYPBUMEUUBBC-JTQLQIEISA-N -1 1 364.431 0.756 10 0 FCAEMM COCCOCc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1 ZINC000622869816 492491723 /nfs/dbraw/zinc/49/17/23/492491723.db2.gz HPZSCTRVODKCEL-UHFFFAOYSA-N -1 1 357.370 0.563 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871292 492492198 /nfs/dbraw/zinc/49/21/98/492492198.db2.gz XECBAYUBUBFZJC-WCBMZHEXSA-N -1 1 364.431 0.612 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)nc2n1 ZINC000643909427 492601231 /nfs/dbraw/zinc/60/12/31/492601231.db2.gz XPUJDYFUYHYSBV-CQSZACIVSA-N -1 1 368.397 0.566 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)nc2n1 ZINC000643909545 492601737 /nfs/dbraw/zinc/60/17/37/492601737.db2.gz IKMKVCYCJZNBFM-CYBMUJFWSA-N -1 1 366.381 0.713 10 0 FCAEMM COc1ccc(NC(=O)NCC[C@@]2(O)CCOC2)cc1[N-]S(C)(=O)=O ZINC000650056082 492609330 /nfs/dbraw/zinc/60/93/30/492609330.db2.gz LEYOCPATABXIBT-OAHLLOKOSA-N -1 1 373.431 0.730 10 0 FCAEMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n1 ZINC000656375439 492616595 /nfs/dbraw/zinc/61/65/95/492616595.db2.gz NUEUVBHMHQHGAZ-UHFFFAOYSA-N -1 1 365.452 0.895 10 0 FCAEMM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)C(=O)c1ccc([O-])cc1 ZINC000629435038 492628013 /nfs/dbraw/zinc/62/80/13/492628013.db2.gz HIFDJOIBKIMHLQ-KRWDZBQOSA-N -1 1 355.394 0.987 10 0 FCAEMM CN(C)S(=O)(=O)N1CC(NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC000629527305 492639155 /nfs/dbraw/zinc/63/91/55/492639155.db2.gz RHDKQYXEFKALJX-UHFFFAOYSA-N -1 1 350.400 0.161 10 0 FCAEMM CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506450 492646615 /nfs/dbraw/zinc/64/66/15/492646615.db2.gz MMAKKKZOVOYSNE-HOTGVXAUSA-N -1 1 355.479 0.789 10 0 FCAEMM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1ncccc1Br ZINC000656859660 492652708 /nfs/dbraw/zinc/65/27/08/492652708.db2.gz SVFHEWJKVDMDEG-ZETCQYMHSA-N -1 1 355.235 0.310 10 0 FCAEMM C[C@@]1([N-]S(=O)(=O)c2ncccc2Br)CCS(=O)(=O)C1 ZINC000656863988 492653869 /nfs/dbraw/zinc/65/38/69/492653869.db2.gz WLEMDROPRHTDLP-SNVBAGLBSA-N -1 1 369.262 0.700 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F)[C@H]1CCOC1 ZINC000656913306 492667750 /nfs/dbraw/zinc/66/77/50/492667750.db2.gz MEWIZVGTIHFMKP-LEWSCRJBSA-N -1 1 365.398 0.969 10 0 FCAEMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ncccc1Br ZINC000656935763 492672992 /nfs/dbraw/zinc/67/29/92/492672992.db2.gz SXQDWTCRZALHKA-QMMMGPOBSA-N -1 1 371.278 0.946 10 0 FCAEMM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1ncccc1Br ZINC000656971264 492683239 /nfs/dbraw/zinc/68/32/39/492683239.db2.gz SJFVCNQMCSZSFM-UHFFFAOYSA-N -1 1 369.262 0.557 10 0 FCAEMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656970949 492683321 /nfs/dbraw/zinc/68/33/21/492683321.db2.gz UMUACOFOVYBGMY-QMMMGPOBSA-N -1 1 350.238 0.989 10 0 FCAEMM Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C2 ZINC000657022290 492696942 /nfs/dbraw/zinc/69/69/42/492696942.db2.gz KCAHNNYPRZDXSN-MRVPVSSYSA-N -1 1 372.248 0.808 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCOC1 ZINC000657072258 492709348 /nfs/dbraw/zinc/70/93/48/492709348.db2.gz YVBOPSSLLNFLNN-IJEWVQPXSA-N -1 1 368.455 0.545 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000630845224 492778926 /nfs/dbraw/zinc/77/89/26/492778926.db2.gz RGYXFPNGMXAGBO-AWEZNQCLSA-N -1 1 364.837 0.975 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000630895380 492782748 /nfs/dbraw/zinc/78/27/48/492782748.db2.gz HCFLYJQVVQZELE-UHFFFAOYSA-N -1 1 350.329 0.395 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[n-]1 ZINC000651563875 492783457 /nfs/dbraw/zinc/78/34/57/492783457.db2.gz KJXQUQRECVOPDU-CQSZACIVSA-N -1 1 358.446 0.856 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)CCOCC1 ZINC000651636244 492797266 /nfs/dbraw/zinc/79/72/66/492797266.db2.gz AZSCIKCIWVPPNN-AWEZNQCLSA-N -1 1 354.428 0.517 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cn3c(n2)CCCC3)c1 ZINC000651638214 492798640 /nfs/dbraw/zinc/79/86/40/492798640.db2.gz QNJPUXXURSNJRS-UHFFFAOYSA-N -1 1 350.400 0.754 10 0 FCAEMM Cc1ccccc1C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCC1 ZINC000651766140 492820028 /nfs/dbraw/zinc/82/00/28/492820028.db2.gz WZTVWKFHMZOWAM-UHFFFAOYSA-N -1 1 363.439 0.750 10 0 FCAEMM CC(=O)N1CC[C@@H](CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000652196836 492894613 /nfs/dbraw/zinc/89/46/13/492894613.db2.gz FRJBPKMCGHGULR-AWEZNQCLSA-N -1 1 359.430 0.969 10 0 FCAEMM COc1ccccc1C1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000645809972 492977486 /nfs/dbraw/zinc/97/74/86/492977486.db2.gz SOKLWVITCQWOSW-UHFFFAOYSA-N -1 1 365.411 0.060 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(CO)CCc3ccccc32)co1 ZINC000652704768 492995409 /nfs/dbraw/zinc/99/54/09/492995409.db2.gz SLBRGHXJKDDFNH-KRWDZBQOSA-N -1 1 364.423 0.794 10 0 FCAEMM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632548702 493027207 /nfs/dbraw/zinc/02/72/07/493027207.db2.gz VEACBEYLFJTXQC-KBPBESRZSA-N -1 1 363.439 0.257 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1=O ZINC000632548582 493027395 /nfs/dbraw/zinc/02/73/95/493027395.db2.gz RFUSDPBGAYFVEK-QWHCGFSZSA-N -1 1 351.428 0.114 10 0 FCAEMM O=C(c1ccnc(N2CCOCC2)n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000626845373 493033108 /nfs/dbraw/zinc/03/31/08/493033108.db2.gz ACPIHLLXOHKCIV-NSHDSACASA-N -1 1 360.374 0.422 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cccnc1-n1cncn1)C1CCOCC1 ZINC000647125879 493168404 /nfs/dbraw/zinc/16/84/04/493168404.db2.gz DRHKOMNCHZCPJN-AWEZNQCLSA-N -1 1 367.431 0.846 10 0 FCAEMM CN1CCN(c2ccc(NC(=O)c3c[n-]n4c3nccc4=O)nc2)CC1 ZINC000670459967 493569771 /nfs/dbraw/zinc/56/97/71/493569771.db2.gz PEXXPRANRKIBNT-UHFFFAOYSA-N -1 1 353.386 0.422 10 0 FCAEMM CCOc1cccc(CCNC(=O)c2coc(S(=O)(=O)[N-]C)c2)n1 ZINC000677313383 493595850 /nfs/dbraw/zinc/59/58/50/493595850.db2.gz MXKJHRCNLNIHPI-UHFFFAOYSA-N -1 1 353.400 0.954 10 0 FCAEMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000663616913 493604853 /nfs/dbraw/zinc/60/48/53/493604853.db2.gz ANPMBQDYJFGRFK-GJZGRUSLSA-N -1 1 369.462 0.077 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N2CCN(C3CC3)C[C@H](C)C2)s[n-]1 ZINC000411576794 528684941 /nfs/dbraw/zinc/68/49/41/528684941.db2.gz YLJZSNKIYJVMKU-NSHDSACASA-N -1 1 351.476 0.794 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762985 536386323 /nfs/dbraw/zinc/38/63/23/536386323.db2.gz HWYLFLRSJABLDV-LLVKDONJSA-N -1 1 373.331 0.878 10 0 FCAEMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106151 546608380 /nfs/dbraw/zinc/60/83/80/546608380.db2.gz QMDKOKJPGWVEEV-JQWIXIFHSA-N -1 1 374.463 0.199 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)c1ccnn1C ZINC000592093671 546609628 /nfs/dbraw/zinc/60/96/28/546609628.db2.gz UPJPBNDNAMVITC-AWEZNQCLSA-N -1 1 353.400 0.762 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)c1ccnn1C ZINC000592094171 546611158 /nfs/dbraw/zinc/61/11/58/546611158.db2.gz ZCNWOSKIFJUCKF-ZDUSSCGKSA-N -1 1 366.399 0.020 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1 ZINC000592382359 546636540 /nfs/dbraw/zinc/63/65/40/546636540.db2.gz NVHWDJYXUUGTAA-ZDUSSCGKSA-N -1 1 374.415 0.757 10 0 FCAEMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000593633442 546724312 /nfs/dbraw/zinc/72/43/12/546724312.db2.gz HGHGQQHTZJLYPQ-LBPRGKRZSA-N -1 1 367.420 0.411 10 0 FCAEMM COC(=O)[C@@H](CCF)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000593803378 546752246 /nfs/dbraw/zinc/75/22/46/546752246.db2.gz VESSGVZEHFAALW-SECBINFHSA-N -1 1 364.395 0.987 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CCSCC1 ZINC000594766413 546821561 /nfs/dbraw/zinc/82/15/61/546821561.db2.gz VYQDZVBFQAOGKZ-NWDGAFQWSA-N -1 1 367.489 0.396 10 0 FCAEMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594785982 546834815 /nfs/dbraw/zinc/83/48/15/546834815.db2.gz WSRNSTOHWHIJRF-XUXIUFHCSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000594821737 546836252 /nfs/dbraw/zinc/83/62/52/546836252.db2.gz JJMMSDZIAANXNX-MFKMUULPSA-N -1 1 359.400 0.638 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000594824515 546837230 /nfs/dbraw/zinc/83/72/30/546837230.db2.gz NFAREOIZRJIUFX-WDEREUQCSA-N -1 1 351.327 0.582 10 0 FCAEMM CN(CC(=O)NC1(c2nn[n-]n2)CC1)C(=O)c1ccc(Br)o1 ZINC000477064703 546942969 /nfs/dbraw/zinc/94/29/69/546942969.db2.gz VRLLJGIVKCGOES-UHFFFAOYSA-N -1 1 369.179 0.433 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1 ZINC000015755959 547348001 /nfs/dbraw/zinc/34/80/01/547348001.db2.gz HUTXZQJHVCOOCO-UHFFFAOYSA-N -1 1 369.424 0.494 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000866871125 663472683 /nfs/dbraw/zinc/47/26/83/663472683.db2.gz FLLGTGCZPRVKRJ-LBPRGKRZSA-N -1 1 363.509 0.731 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)c(Br)n1C ZINC000311540445 664111039 /nfs/dbraw/zinc/11/10/39/664111039.db2.gz TVMKLBFQCRZTSR-LWESTGQBSA-N -1 1 372.310 0.926 10 0 FCAEMM Cn1cc(/C=C/C(=O)Nc2ccc3nc([S-])[nH]c3c2)c(=O)n(C)c1=O ZINC000183230706 664220383 /nfs/dbraw/zinc/22/03/83/664220383.db2.gz CNFNMFMZVVSPTO-ZZXKWVIFSA-N -1 1 357.395 0.901 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCSC3)n2)CC1 ZINC000909355516 664376369 /nfs/dbraw/zinc/37/63/69/664376369.db2.gz DIDBDMJHHOHLCS-MRXNPFEDSA-N -1 1 350.444 0.524 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ncccc2F)C1 ZINC000866945279 665232171 /nfs/dbraw/zinc/23/21/71/665232171.db2.gz KRTHMKMMZXJOOP-UZJPJQLHSA-N -1 1 350.441 0.752 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ncccc2F)C1 ZINC000866945278 665232301 /nfs/dbraw/zinc/23/23/01/665232301.db2.gz KRTHMKMMZXJOOP-LADRHHBVSA-N -1 1 350.441 0.752 10 0 FCAEMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866965959 665252007 /nfs/dbraw/zinc/25/20/07/665252007.db2.gz RCCSGMKCOWQXAT-AMXDTQDGSA-N -1 1 359.473 0.989 10 0 FCAEMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867458248 665260414 /nfs/dbraw/zinc/26/04/14/665260414.db2.gz KTGAYQMMPGLWOM-LURJTMIESA-N -1 1 358.189 0.362 10 0 FCAEMM Cn1nc2c(c1C(=O)N1CCSC[C@H]1c1nn[n-]n1)CSCC2 ZINC000907478807 666131964 /nfs/dbraw/zinc/13/19/64/666131964.db2.gz WHWWWYJOFDXBOW-JTQLQIEISA-N -1 1 351.461 0.653 10 0 FCAEMM C[C@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCS1(=O)=O ZINC000908285690 666198349 /nfs/dbraw/zinc/19/83/49/666198349.db2.gz UHFZTXNZGCYCGT-GXFFZTMASA-N -1 1 370.393 0.871 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCCC23CC3)CC1 ZINC000908722764 666215936 /nfs/dbraw/zinc/21/59/36/666215936.db2.gz VPFCJLYJEZXJNF-HNNXBMFYSA-N -1 1 352.479 0.910 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC000908732007 666216604 /nfs/dbraw/zinc/21/66/04/666216604.db2.gz IZIRLRPZNYENJY-LVQVYYBASA-N -1 1 352.479 0.622 10 0 FCAEMM CSC[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000910877815 666286628 /nfs/dbraw/zinc/28/66/28/666286628.db2.gz LNTNSKPQSQPVRT-ZDUSSCGKSA-N -1 1 352.460 0.526 10 0 FCAEMM CSC[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000910878120 666286667 /nfs/dbraw/zinc/28/66/67/666286667.db2.gz NQAGLFRFRXGKKU-OAHLLOKOSA-N -1 1 351.472 0.980 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)n2)CC1 ZINC000911161720 666318340 /nfs/dbraw/zinc/31/83/40/666318340.db2.gz ONQAHXRAGODBCJ-NSHDSACASA-N -1 1 360.336 0.969 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000921340242 666437281 /nfs/dbraw/zinc/43/72/81/666437281.db2.gz YVEVNNXJWVOWKR-CYBMUJFWSA-N -1 1 354.350 0.075 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)o1 ZINC000921323575 666438485 /nfs/dbraw/zinc/43/84/85/666438485.db2.gz KJGPBGPCKVCIPO-QWRGUYRKSA-N -1 1 360.457 0.924 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000921378473 666441999 /nfs/dbraw/zinc/44/19/99/666441999.db2.gz YPPWHAIDFUCPNS-NSHDSACASA-N -1 1 367.489 0.934 10 0 FCAEMM COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC000921381431 666442598 /nfs/dbraw/zinc/44/25/98/666442598.db2.gz BMAAKJYMRURJQH-CYBMUJFWSA-N -1 1 373.402 0.782 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)OC)CC1=O ZINC000921385312 666443287 /nfs/dbraw/zinc/44/32/87/666443287.db2.gz MIZIQTBYLWMMMB-KBPBESRZSA-N -1 1 372.418 0.450 10 0 FCAEMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@](C)(O)c1cccc(F)c1 ZINC000921399689 666445204 /nfs/dbraw/zinc/44/52/04/666445204.db2.gz CFTUZQWPPNIKIS-XUSGNXJCSA-N -1 1 353.441 0.442 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(=O)n(C)c1=O ZINC000180275154 666485214 /nfs/dbraw/zinc/48/52/14/666485214.db2.gz MUFIIVPHIRGLOQ-UHFFFAOYSA-N -1 1 365.198 0.587 10 0 FCAEMM O=C([N-]CC1CN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1)C(F)(F)F ZINC000913781682 666650104 /nfs/dbraw/zinc/65/01/04/666650104.db2.gz WUSHQFOVXJQVIP-UHFFFAOYSA-N -1 1 356.304 0.806 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)cc1 ZINC000733249865 666801344 /nfs/dbraw/zinc/80/13/44/666801344.db2.gz VKYGIYPFGIGVCL-UHFFFAOYSA-N -1 1 352.372 0.506 10 0 FCAEMM O=C(CNC(=O)NCc1ccc(Cl)cc1)NC1(c2nn[n-]n2)CCC1 ZINC000737889492 667074041 /nfs/dbraw/zinc/07/40/41/667074041.db2.gz OKZWBODMXIIVKM-UHFFFAOYSA-N -1 1 363.809 0.848 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(Cl)ccc1F ZINC000918982148 667146326 /nfs/dbraw/zinc/14/63/26/667146326.db2.gz UKEXYQPCCCTFJU-NSHDSACASA-N -1 1 352.815 0.451 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)c(F)c1 ZINC000918974370 667147918 /nfs/dbraw/zinc/14/79/18/667147918.db2.gz ZPHNPOPKIQKVSY-LLVKDONJSA-N -1 1 350.387 0.245 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1ccc(F)c(F)c1F ZINC000918987954 667148738 /nfs/dbraw/zinc/14/87/38/667148738.db2.gz INOSVDKFEPSVGA-VIFPVBQESA-N -1 1 354.350 0.075 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)[C@H]1CN(C)CCN1C ZINC000919982659 667214003 /nfs/dbraw/zinc/21/40/03/667214003.db2.gz VMDRFGBIIPFBSR-OWOHRZCZSA-N -1 1 374.532 0.612 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)N1CCOCC1 ZINC000752261884 667509804 /nfs/dbraw/zinc/50/98/04/667509804.db2.gz LQIGMBWKBHREIE-JTQLQIEISA-N -1 1 364.855 0.298 10 0 FCAEMM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000921963389 667555871 /nfs/dbraw/zinc/55/58/71/667555871.db2.gz BENHQZJQGGSHDV-JTQLQIEISA-N -1 1 361.221 0.590 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2noc3c2COCC3)c1C(F)(F)F ZINC000922076470 667582819 /nfs/dbraw/zinc/58/28/19/667582819.db2.gz KQZMQQDZSSDLMQ-UHFFFAOYSA-N -1 1 366.321 0.978 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)co1 ZINC000755897613 667652047 /nfs/dbraw/zinc/65/20/47/667652047.db2.gz CLJPOYQXEZMWGB-UHFFFAOYSA-N -1 1 373.431 0.927 10 0 FCAEMM CCN1CC[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1=O ZINC000709096455 667792121 /nfs/dbraw/zinc/79/21/21/667792121.db2.gz PEAHGSRLPUIECV-MRVPVSSYSA-N -1 1 365.253 0.390 10 0 FCAEMM CNC(=O)CCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805181168 667806289 /nfs/dbraw/zinc/80/62/89/667806289.db2.gz RXOJSJSGVATWHP-NHCYSSNCSA-N -1 1 366.384 1.000 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)o1 ZINC000761246402 667883610 /nfs/dbraw/zinc/88/36/10/667883610.db2.gz NUKQXRFVLHZFFJ-IUCAKERBSA-N -1 1 351.402 0.310 10 0 FCAEMM CCOC(=O)[C@H]1CN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CCO1 ZINC000741247652 668015332 /nfs/dbraw/zinc/01/53/32/668015332.db2.gz KNLAAQLFZQJZNC-CQSZACIVSA-N -1 1 350.371 0.216 10 0 FCAEMM CCNC(=O)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804871032 668030077 /nfs/dbraw/zinc/03/00/77/668030077.db2.gz OMXDECHOYCWQHJ-QXEWZRGKSA-N -1 1 352.357 0.610 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000773165664 668077754 /nfs/dbraw/zinc/07/77/54/668077754.db2.gz YQYOMYAJLQAOJN-NSHDSACASA-N -1 1 368.444 0.038 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCSC[C@@H]1CCO ZINC000769004092 668109302 /nfs/dbraw/zinc/10/93/02/668109302.db2.gz GYRZBMKLUMIFMW-LBPRGKRZSA-N -1 1 350.444 0.921 10 0 FCAEMM Cn1c(C2CCC2)nnc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F ZINC000774021000 668119087 /nfs/dbraw/zinc/11/90/87/668119087.db2.gz XHMHAALNNKYAML-UHFFFAOYSA-N -1 1 354.354 0.925 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCS(=O)(=O)NC ZINC000777072194 668307442 /nfs/dbraw/zinc/30/74/42/668307442.db2.gz YKQMMJSRIMGXFW-UHFFFAOYSA-N -1 1 364.445 0.544 10 0 FCAEMM CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788997 668735140 /nfs/dbraw/zinc/73/51/40/668735140.db2.gz SUHGAANCFVXFBG-NAKRPEOUSA-N -1 1 366.384 0.998 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nncn2C)c(F)cc1Cl ZINC000795782825 669061626 /nfs/dbraw/zinc/06/16/26/669061626.db2.gz XFYGCHMZWZCPQC-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2[nH]cnc2cc1F ZINC000821156374 669164025 /nfs/dbraw/zinc/16/40/25/669164025.db2.gz BFPGXEHDXFWUSP-UHFFFAOYSA-N -1 1 357.363 0.961 10 0 FCAEMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)N1CCC2(CC1)OCCO2 ZINC000798193324 669214929 /nfs/dbraw/zinc/21/49/29/669214929.db2.gz IAQGOWXOICEDQC-UHFFFAOYSA-N -1 1 351.407 0.055 10 0 FCAEMM CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000824345909 669385868 /nfs/dbraw/zinc/38/58/68/669385868.db2.gz OLRXZIOXZNNABM-YUSALJHKSA-N -1 1 365.352 0.292 10 0 FCAEMM COc1ccc(NC(=O)NCc2cnn(C)n2)cc1[N-]S(C)(=O)=O ZINC000806312282 669403222 /nfs/dbraw/zinc/40/32/22/669403222.db2.gz SOPXSQDVOGPJSC-UHFFFAOYSA-N -1 1 354.392 0.517 10 0 FCAEMM CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806850001 669449286 /nfs/dbraw/zinc/44/92/86/669449286.db2.gz YEZVINRCMAPIFA-UHFFFAOYSA-N -1 1 358.789 0.987 10 0 FCAEMM CC(C)(C)OC(=O)COCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000830419098 669782651 /nfs/dbraw/zinc/78/26/51/669782651.db2.gz OFTBRKLCGGKZFU-UHFFFAOYSA-N -1 1 351.355 0.845 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831399010 669844123 /nfs/dbraw/zinc/84/41/23/669844123.db2.gz XLCIYRCXQKZIHH-YUMQZZPRSA-N -1 1 356.857 0.059 10 0 FCAEMM C[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813635698 669846193 /nfs/dbraw/zinc/84/61/93/669846193.db2.gz CBFPBYSGPLYVPE-CIUDSAMLSA-N -1 1 350.341 0.491 10 0 FCAEMM O=C(Cc1ccc(Br)cc1O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000815519749 669916106 /nfs/dbraw/zinc/91/61/06/669916106.db2.gz GUKKTDXKBKWFAI-NSHDSACASA-N -1 1 368.191 0.810 10 0 FCAEMM O=C(Cc1ccc(Br)cc1O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000815519748 669916198 /nfs/dbraw/zinc/91/61/98/669916198.db2.gz GUKKTDXKBKWFAI-LLVKDONJSA-N -1 1 368.191 0.810 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)N1CCCC1 ZINC000867225460 670091494 /nfs/dbraw/zinc/09/14/94/670091494.db2.gz SCDLVBCJDLIYKW-QMMMGPOBSA-N -1 1 354.354 0.728 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867264817 670600058 /nfs/dbraw/zinc/60/00/58/670600058.db2.gz YFHPFHXYRJZXCK-SECBINFHSA-N -1 1 369.415 0.452 10 0 FCAEMM C[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)N(C)CC(F)(F)F ZINC000843013259 670765967 /nfs/dbraw/zinc/76/59/67/670765967.db2.gz FPMACKXAKYVESN-SNVBAGLBSA-N -1 1 359.414 0.799 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@H](CN3CCOC3=O)C2)c1 ZINC000867316002 670767438 /nfs/dbraw/zinc/76/74/38/670767438.db2.gz CXVXNRZJRVEDLD-LLVKDONJSA-N -1 1 356.400 0.864 10 0 FCAEMM Cc1cc2ncc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)c(C)n2n1 ZINC000843018200 670767808 /nfs/dbraw/zinc/76/78/08/670767808.db2.gz PGFBTWPILPSXSL-UHFFFAOYSA-N -1 1 365.459 0.890 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCC1 ZINC000843017512 670768080 /nfs/dbraw/zinc/76/80/80/670768080.db2.gz HTHBBYMOWXDWHP-AWEZNQCLSA-N -1 1 366.439 0.698 10 0 FCAEMM CN(C)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843018890 670768519 /nfs/dbraw/zinc/76/85/19/670768519.db2.gz WSYNGBLFQODUMN-UHFFFAOYSA-N -1 1 367.471 0.932 10 0 FCAEMM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018642 670768684 /nfs/dbraw/zinc/76/86/84/670768684.db2.gz QTGUANHKLNFPFX-CYBMUJFWSA-N -1 1 359.492 0.708 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(OCC(N)=O)c2)CCC1 ZINC000843019484 670769203 /nfs/dbraw/zinc/76/92/03/670769203.db2.gz RIOPQSDDIMGMHZ-UHFFFAOYSA-N -1 1 369.443 0.095 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@H]3CCCCN3C2=O)c1C(F)(F)F ZINC000867378180 670960973 /nfs/dbraw/zinc/96/09/73/670960973.db2.gz SWRVDTMHZNJQQM-BDAKNGLRSA-N -1 1 366.365 0.871 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)c1F ZINC000845974848 671059552 /nfs/dbraw/zinc/05/95/52/671059552.db2.gz CPAQBPPNWKOAQY-MRVPVSSYSA-N -1 1 369.317 0.931 10 0 FCAEMM CS(=O)(=O)CCS(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000848513254 671282891 /nfs/dbraw/zinc/28/28/91/671282891.db2.gz HSQOLUXLNQLKDT-CYBMUJFWSA-N -1 1 358.441 0.922 10 0 FCAEMM CC(C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231383 671323546 /nfs/dbraw/zinc/32/35/46/671323546.db2.gz COHGJGLWRFEAJB-DTWKUNHWSA-N -1 1 360.354 0.568 10 0 FCAEMM CC1(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC000849232473 671323739 /nfs/dbraw/zinc/32/37/39/671323739.db2.gz NIFOSMOBYZHXFA-SFYZADRCSA-N -1 1 358.338 0.465 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ncoc2-c2ccon2)CCC1 ZINC000851103624 671428312 /nfs/dbraw/zinc/42/83/12/671428312.db2.gz FFNYRJXBSDUMQH-UHFFFAOYSA-N -1 1 354.388 0.874 10 0 FCAEMM COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1 ZINC000851105902 671428457 /nfs/dbraw/zinc/42/84/57/671428457.db2.gz UBRQCYQILQKVGQ-UHFFFAOYSA-N -1 1 361.464 0.395 10 0 FCAEMM CCc1ocnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704628 671462352 /nfs/dbraw/zinc/46/23/52/671462352.db2.gz YWLZQLGSYXNHTO-GMSGAONNSA-N -1 1 363.292 0.973 10 0 FCAEMM COC[C@](C)(O)CCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852363900 671503601 /nfs/dbraw/zinc/50/36/01/671503601.db2.gz OFVPEMJGFQHHEA-UHIISALHSA-N -1 1 369.384 0.872 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(=O)n(C)cn1 ZINC000903162346 675917112 /nfs/dbraw/zinc/91/71/12/675917112.db2.gz DDXOBHKSSWHULF-CYBMUJFWSA-N -1 1 355.391 0.919 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC[C@@H]1COCCN1C ZINC000858837917 671779247 /nfs/dbraw/zinc/77/92/47/671779247.db2.gz VJPHOOIXWLUHSA-IJLUTSLNSA-N -1 1 366.384 0.558 10 0 FCAEMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000859133340 671795695 /nfs/dbraw/zinc/79/56/95/671795695.db2.gz FCWPQJYIEOOUTP-SSDOTTSWSA-N -1 1 366.212 0.882 10 0 FCAEMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000859133341 671795772 /nfs/dbraw/zinc/79/57/72/671795772.db2.gz FCWPQJYIEOOUTP-ZETCQYMHSA-N -1 1 366.212 0.882 10 0 FCAEMM CCN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000859178491 671798420 /nfs/dbraw/zinc/79/84/20/671798420.db2.gz JOKPQVIRCFOOQZ-SSDOTTSWSA-N -1 1 366.212 0.882 10 0 FCAEMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CCC(=O)N1 ZINC000859185659 671798852 /nfs/dbraw/zinc/79/88/52/671798852.db2.gz RFZSMJFQJMELIE-LLVKDONJSA-N -1 1 366.212 0.930 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000859343261 671817673 /nfs/dbraw/zinc/81/76/73/671817673.db2.gz YZDSDRDQHVBRID-NXEZZACHSA-N -1 1 365.839 0.710 10 0 FCAEMM CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000862301258 672043384 /nfs/dbraw/zinc/04/33/84/672043384.db2.gz DLRIFYCZMDWRBK-KRWDZBQOSA-N -1 1 351.403 0.650 10 0 FCAEMM Cn1ncc(C(F)(F)F)c1C[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000863493148 672131124 /nfs/dbraw/zinc/13/11/24/672131124.db2.gz ATTDJNRQNVXISJ-UHFFFAOYSA-N -1 1 370.278 0.549 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H](C)N1CCOCC1 ZINC000866741350 672295642 /nfs/dbraw/zinc/29/56/42/672295642.db2.gz DWIWWDXVAFDFMU-NXEZZACHSA-N -1 1 370.397 0.826 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(Br)n1 ZINC000866829338 672315139 /nfs/dbraw/zinc/31/51/39/672315139.db2.gz GURNSCAMISHMMT-YFKPBYRVSA-N -1 1 352.132 0.384 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)c1Cl ZINC000867452584 672318195 /nfs/dbraw/zinc/31/81/95/672318195.db2.gz HITGMJIFZPTWSG-GHMZBOCLSA-N -1 1 362.883 0.851 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000867900485 672380150 /nfs/dbraw/zinc/38/01/50/672380150.db2.gz RLQQLVXWTNIMNM-NSHDSACASA-N -1 1 358.382 0.742 10 0 FCAEMM COC[C@@H](CCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC000868762401 672409778 /nfs/dbraw/zinc/40/97/78/672409778.db2.gz ZKODKJDAVKDETD-ZWNOBZJWSA-N -1 1 355.357 0.890 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)CN1CCN(C2CC2)C1=O ZINC000869556890 672439696 /nfs/dbraw/zinc/43/96/96/672439696.db2.gz YIBFYDREBLBAAT-UHFFFAOYSA-N -1 1 365.308 0.067 10 0 FCAEMM C[C@@H](O)[C@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000717384689 673576661 /nfs/dbraw/zinc/57/66/61/673576661.db2.gz JTDHSJOQIJUBND-LHLIQPBNSA-N -1 1 351.140 0.468 10 0 FCAEMM CC(=O)NC[C@H]1CN(C(=O)NCCc2c(F)cc([O-])cc2F)CCO1 ZINC000927781801 673881140 /nfs/dbraw/zinc/88/11/40/673881140.db2.gz VAXHTKWGJKIFIN-LBPRGKRZSA-N -1 1 357.357 0.759 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccn(C)n3)CC2)o1 ZINC000928210667 673904751 /nfs/dbraw/zinc/90/47/51/673904751.db2.gz XOFXTYCKYXTUQL-UHFFFAOYSA-N -1 1 352.416 0.941 10 0 FCAEMM CCN1CC[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1=O ZINC000801799737 675809203 /nfs/dbraw/zinc/80/92/03/675809203.db2.gz JWQGPKBKPCWJAJ-LLVKDONJSA-N -1 1 364.368 0.707 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001648899823 1169108028 /nfs/dbraw/zinc/10/80/28/1169108028.db2.gz XTBBWKXOBJBFJC-TXEJJXNPSA-N -1 1 366.418 0.346 10 0 FCAEMM CC(=O)N1CCN(C(=O)C(=O)NCCc2c(F)cc([O-])cc2F)[C@H](C)C1 ZINC000933112373 1170063929 /nfs/dbraw/zinc/06/39/29/1170063929.db2.gz ZSSCAABLIRUWNF-SNVBAGLBSA-N -1 1 369.368 0.408 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCC(F)F)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001719629687 1170851438 /nfs/dbraw/zinc/85/14/38/1170851438.db2.gz PQOGFVCETQZWET-BDAKNGLRSA-N -1 1 368.344 0.182 10 0 FCAEMM CNC(=O)C1(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CC1 ZINC001719721608 1179771139 /nfs/dbraw/zinc/77/11/39/1179771139.db2.gz QKFYPWPNSCJQEW-VXGBXAGGSA-N -1 1 360.414 0.138 10 0 FCAEMM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051591 1187472402 /nfs/dbraw/zinc/47/24/02/1187472402.db2.gz OJFCLSZULPZCOF-UHFFFAOYSA-N -1 1 373.442 0.903 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1COc2ccccc2[C@H]1O ZINC001687390503 1188309373 /nfs/dbraw/zinc/30/93/73/1188309373.db2.gz AHBGUOYRXWXWKC-XJKSGUPXSA-N -1 1 372.381 0.549 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCOC[C@H]1[C@H]1CCCO1 ZINC001687391009 1188352234 /nfs/dbraw/zinc/35/22/34/1188352234.db2.gz PEIFPASVPASTBD-UONOGXRCSA-N -1 1 364.402 0.344 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC001687390774 1188352402 /nfs/dbraw/zinc/35/24/02/1188352402.db2.gz JUEMXJWEUFKVDG-MLGOLLRUSA-N -1 1 362.430 0.851 10 0 FCAEMM CC(=O)N1CC[C@H](CN(C)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687390816 1188352489 /nfs/dbraw/zinc/35/24/89/1188352489.db2.gz KSSDZPTUKUDEET-GFCCVEGCSA-N -1 1 363.418 0.265 10 0 FCAEMM CC(C)O[C@@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001687391289 1188352690 /nfs/dbraw/zinc/35/26/90/1188352690.db2.gz YALCXZFTSHZVOT-QGZVFWFLSA-N -1 1 366.418 0.638 10 0 FCAEMM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)NCCN1CCCOCC1 ZINC000909109920 1195782450 /nfs/dbraw/zinc/78/24/50/1195782450.db2.gz JIJLDSXDPOWHTP-INIZCTEOSA-N -1 1 363.414 0.939 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000912179553 1196333021 /nfs/dbraw/zinc/33/30/21/1196333021.db2.gz LYACIDCSTZJXQC-SJORKVTESA-N -1 1 371.437 0.911 10 0 FCAEMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000760965042 1196560602 /nfs/dbraw/zinc/56/06/02/1196560602.db2.gz LRNFSBAVALIBCM-CYBMUJFWSA-N -1 1 365.430 0.897 10 0 FCAEMM CC1(C)[C@H](C(=O)NC[C@@H](O)CNCc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1 ZINC001272415551 1197068159 /nfs/dbraw/zinc/06/81/59/1197068159.db2.gz YVHSXMUVMXNGQH-CFVMTHIKSA-N -1 1 359.430 0.517 10 0 FCAEMM C[C@@]1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCCN1C(=O)c1ccccc1 ZINC000735047831 1197829570 /nfs/dbraw/zinc/82/95/70/1197829570.db2.gz FEYFVXUJVMWNOK-KSSFIOAISA-N -1 1 370.413 0.795 10 0 FCAEMM C[C@H]1NC(C(=O)NC2(c3nn[n-]n3)CCCC2)=NN(c2ccccc2)C1=O ZINC000735821444 1197890547 /nfs/dbraw/zinc/89/05/47/1197890547.db2.gz GXSCQELUJFVKAT-LLVKDONJSA-N -1 1 368.401 0.424 10 0 FCAEMM Cc1nn(C)c(C)c1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(F)(F)F ZINC000771542238 1200603641 /nfs/dbraw/zinc/60/36/41/1200603641.db2.gz LDQGFPQVSRQAKO-GFCCVEGCSA-N -1 1 373.335 0.697 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)nc1=O ZINC000772360605 1200727033 /nfs/dbraw/zinc/72/70/33/1200727033.db2.gz XOPIKUVSRMAZFP-XQQFMLRXSA-N -1 1 358.402 0.779 10 0 FCAEMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000786491745 1200840130 /nfs/dbraw/zinc/84/01/30/1200840130.db2.gz AAVNCXBZJRHTSR-SNVBAGLBSA-N -1 1 362.390 0.783 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n[n-]1 ZINC000787907173 1200918398 /nfs/dbraw/zinc/91/83/98/1200918398.db2.gz YUEACXNOMPQIME-GFCCVEGCSA-N -1 1 371.397 0.959 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000787907173 1200918414 /nfs/dbraw/zinc/91/84/14/1200918414.db2.gz YUEACXNOMPQIME-GFCCVEGCSA-N -1 1 371.397 0.959 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cncc(N4CCCC4=O)c3)nc2n1 ZINC001129520956 1201341383 /nfs/dbraw/zinc/34/13/83/1201341383.db2.gz VEXGWHYSJUACEJ-UHFFFAOYSA-N -1 1 353.342 0.500 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCc3cccc(N4CCOCC4)n3)ccnc1-2 ZINC000806490991 1202741961 /nfs/dbraw/zinc/74/19/61/1202741961.db2.gz AULLNBXNKVKIEH-UHFFFAOYSA-N -1 1 367.413 0.895 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCN[C@@H](Cc2ccccc2)C1 ZINC001170549483 1202879548 /nfs/dbraw/zinc/87/95/48/1202879548.db2.gz WQXBGWNINDTYEM-AWEZNQCLSA-N -1 1 352.398 0.114 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCS(=O)(=O)CCO1 ZINC001649141016 1202954929 /nfs/dbraw/zinc/95/49/29/1202954929.db2.gz HHEHEVNHEDVJJP-UHFFFAOYSA-N -1 1 368.415 0.173 10 0 FCAEMM C[C@H]1CCN(C(=O)CCn2cnccc2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000816669659 1203074576 /nfs/dbraw/zinc/07/45/76/1203074576.db2.gz YEDSALQUCAGSHT-MJVIPROJSA-N -1 1 374.363 0.937 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)ccnc1-2 ZINC000823057328 1203247176 /nfs/dbraw/zinc/24/71/76/1203247176.db2.gz ATSDUPPTTBAZMW-QGZVFWFLSA-N -1 1 361.402 0.964 10 0 FCAEMM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)[N-]OCC(N)=O ZINC000772935086 1204624628 /nfs/dbraw/zinc/62/46/28/1204624628.db2.gz CPJHOLQHRJDQHN-UHFFFAOYSA-N -1 1 371.319 0.979 10 0 FCAEMM Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC001146489386 1204727521 /nfs/dbraw/zinc/72/75/21/1204727521.db2.gz TYPJKNAOYANAKN-CQSZACIVSA-N -1 1 372.429 0.579 10 0 FCAEMM CC1=C(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@H](C)n2ncnc2N1C ZINC001175215363 1206301879 /nfs/dbraw/zinc/30/18/79/1206301879.db2.gz ZVSJJRIHKNSYMA-JTQLQIEISA-N -1 1 371.401 0.448 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CC[C@H](c3nn[n-]n3)C2)=NO1 ZINC001175564100 1206306078 /nfs/dbraw/zinc/30/60/78/1206306078.db2.gz ZLHACSMPXHWQNC-UWVGGRQHSA-N -1 1 365.394 0.185 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001177865778 1206347556 /nfs/dbraw/zinc/34/75/56/1206347556.db2.gz GDABOEQNKIPOQC-SYQHCUMBSA-N -1 1 374.445 0.545 10 0 FCAEMM COc1cnc(C2(NC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CCCC2)[n-]c1=O ZINC001179195280 1206378120 /nfs/dbraw/zinc/37/81/20/1206378120.db2.gz ZBIUUXSWTJNGAS-VXGBXAGGSA-N -1 1 374.401 0.677 10 0 FCAEMM Cn1nnnc1-c1ccccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001179899796 1206386374 /nfs/dbraw/zinc/38/63/74/1206386374.db2.gz KCBAWOZAGJXNNX-UHFFFAOYSA-N -1 1 353.342 0.346 10 0 FCAEMM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)C(F)(F)F ZINC001489575649 1208954117 /nfs/dbraw/zinc/95/41/17/1208954117.db2.gz BCPXREKPGYZUMU-NGZCFLSTSA-N -1 1 361.320 0.677 10 0 FCAEMM COC[C@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001489906394 1209147018 /nfs/dbraw/zinc/14/70/18/1209147018.db2.gz UITBREHJICFKRP-SCRDCRAPSA-N -1 1 351.403 0.463 10 0 FCAEMM COC[C@@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001489960057 1209181909 /nfs/dbraw/zinc/18/19/09/1209181909.db2.gz HBQNBFALBBAYQU-VNHYZAJKSA-N -1 1 365.430 0.806 10 0 FCAEMM C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001490286025 1209297927 /nfs/dbraw/zinc/29/79/27/1209297927.db2.gz MGCSQJUGVNZWNW-DGCLKSJQSA-N -1 1 360.414 0.138 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)C(C)C)C1 ZINC001490386727 1209331138 /nfs/dbraw/zinc/33/11/38/1209331138.db2.gz DNKQPRBSCDEJGR-GHMZBOCLSA-N -1 1 366.418 0.767 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@@H](CC(F)(F)F)C3)ccnc1-2 ZINC000850720525 1209487028 /nfs/dbraw/zinc/48/70/28/1209487028.db2.gz IHBTVXYUBRAIOF-VIFPVBQESA-N -1 1 371.319 0.460 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc(C)n1 ZINC000851703225 1209516885 /nfs/dbraw/zinc/51/68/85/1209516885.db2.gz OIJLGRPNBUWTMI-MWLCHTKSSA-N -1 1 374.319 0.830 10 0 FCAEMM NC(=O)NC(=O)CN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852674037 1209558899 /nfs/dbraw/zinc/55/88/99/1209558899.db2.gz UBOSGRWRDPQRLX-VXGBXAGGSA-N -1 1 372.347 0.718 10 0 FCAEMM NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852735847 1209560845 /nfs/dbraw/zinc/56/08/45/1209560845.db2.gz JZZNMMKMMQOCBD-VXGBXAGGSA-N -1 1 373.331 0.882 10 0 FCAEMM NC(=O)c1cccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737055 1209561605 /nfs/dbraw/zinc/56/16/05/1209561605.db2.gz QFJJPHFMDYZOHI-RYUDHWBXSA-N -1 1 373.331 0.882 10 0 FCAEMM NC(=O)c1cccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737055 1209561610 /nfs/dbraw/zinc/56/16/10/1209561610.db2.gz QFJJPHFMDYZOHI-RYUDHWBXSA-N -1 1 373.331 0.882 10 0 FCAEMM CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ccn1 ZINC000856634737 1209720434 /nfs/dbraw/zinc/72/04/34/1209720434.db2.gz SESFZRAUGCCJLC-CYBMUJFWSA-N -1 1 374.401 0.423 10 0 FCAEMM Cc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cnccn1 ZINC000859278341 1209815310 /nfs/dbraw/zinc/81/53/10/1209815310.db2.gz PKWAEUNENFVAGI-CYBMUJFWSA-N -1 1 354.374 0.611 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000859382629 1209819834 /nfs/dbraw/zinc/81/98/34/1209819834.db2.gz XJYTXSDFZADPTK-ZKRNXSKHSA-N -1 1 372.381 0.389 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3)nc2C1 ZINC000869837841 1210096730 /nfs/dbraw/zinc/09/67/30/1210096730.db2.gz RMECKIREDQVAKD-CYBMUJFWSA-N -1 1 357.366 0.958 10 0 FCAEMM CCOC(=O)c1ccc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)o1 ZINC001137148684 1210504359 /nfs/dbraw/zinc/50/43/59/1210504359.db2.gz ONXAWHGHQMIWJQ-UHFFFAOYSA-N -1 1 372.337 0.966 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3Cn3ccnn3)nc2n1 ZINC001274692855 1211103113 /nfs/dbraw/zinc/10/31/13/1211103113.db2.gz GMPSBPHJQNILSU-UHFFFAOYSA-N -1 1 350.342 0.618 10 0 FCAEMM O=C(NCCOC[C@@H]1CCOC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930015612 1211682635 /nfs/dbraw/zinc/68/26/35/1211682635.db2.gz NWKARIMPMQRCDH-LLVKDONJSA-N -1 1 372.368 0.498 10 0 FCAEMM COC[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@H]1CCCO1 ZINC000930520155 1211711865 /nfs/dbraw/zinc/71/18/65/1211711865.db2.gz OOGPRAPDYBKRCL-LSDHHAIUSA-N -1 1 372.368 0.639 10 0 FCAEMM CCN1C[C@@H](CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC000930942597 1211729518 /nfs/dbraw/zinc/72/95/18/1211729518.db2.gz WOHLNERQBCNAPH-SNVBAGLBSA-N -1 1 369.368 0.314 10 0 FCAEMM O=C(C=CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)Nc1ccc2n[nH]cc2c1 ZINC000778932784 1211939305 /nfs/dbraw/zinc/93/93/05/1211939305.db2.gz CSZRKAIBTQUYIQ-QRGHLMKCSA-N -1 1 366.385 0.977 10 0 FCAEMM CCc1cc2c(COC(=O)C[C@@H]3NC(=O)NC3=O)cc(=O)oc2cc1[O-] ZINC000751576350 1220038538 /nfs/dbraw/zinc/03/85/38/1220038538.db2.gz MDYQVLZNVQTCPT-NSHDSACASA-N -1 1 360.322 0.702 10 0 FCAEMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC000798148766 1221280289 /nfs/dbraw/zinc/28/02/89/1221280289.db2.gz QFBOEJDUCVLVAZ-SMDDNHRTSA-N -1 1 370.413 0.918 10 0 FCAEMM COC(OC)[C@@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001117721912 1221615215 /nfs/dbraw/zinc/61/52/15/1221615215.db2.gz BYMZVQDJQYKPQV-GFCCVEGCSA-N -1 1 368.434 0.383 10 0 FCAEMM FCC[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001123097618 1222317718 /nfs/dbraw/zinc/31/77/18/1222317718.db2.gz LLTOAIQLGBTBGT-OLZOCXBDSA-N -1 1 364.429 0.995 10 0 FCAEMM FCC[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2C[C@@H]2CCOC2)C1 ZINC001123097618 1222317723 /nfs/dbraw/zinc/31/77/23/1222317723.db2.gz LLTOAIQLGBTBGT-OLZOCXBDSA-N -1 1 364.429 0.995 10 0 FCAEMM CCO[N-]C(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC001164584358 1223240224 /nfs/dbraw/zinc/24/02/24/1223240224.db2.gz ARFWMXKJQMWPKZ-AWEZNQCLSA-N -1 1 365.434 0.201 10 0 FCAEMM CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000848326082 1245366599 /nfs/dbraw/zinc/36/65/99/1245366599.db2.gz YVXYCKQEFYLYOR-UHFFFAOYSA-N -1 1 367.308 0.907 10 0 FCAEMM CO[C@H]1COCC[C@H]1N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000921927095 1245656674 /nfs/dbraw/zinc/65/66/74/1245656674.db2.gz HFRUUKNSBQVMBB-CVEARBPZSA-N -1 1 372.425 0.945 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)CCOC1 ZINC001329206041 1265711810 /nfs/dbraw/zinc/71/18/10/1265711810.db2.gz FDVVDYYGGSVNEK-GOSISDBHSA-N -1 1 361.446 0.852 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC001329594003 1265788175 /nfs/dbraw/zinc/78/81/75/1265788175.db2.gz LZJUMDOSCJFBQE-MMWGEVLESA-N -1 1 372.351 0.390 10 0 FCAEMM Cn1nc(I)cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001520460892 1265919501 /nfs/dbraw/zinc/91/95/01/1265919501.db2.gz SGOUXMKLVSFFSC-LURJTMIESA-N -1 1 373.158 0.168 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCS(=O)(=O)CCO1 ZINC001520876712 1266027339 /nfs/dbraw/zinc/02/73/39/1266027339.db2.gz HBIOHMNCYUSQIP-UHFFFAOYSA-N -1 1 350.190 0.957 10 0 FCAEMM Cc1cnn(C)c1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001331230097 1266176921 /nfs/dbraw/zinc/17/69/21/1266176921.db2.gz NNYLIBMGHHDVAX-UHFFFAOYSA-N -1 1 360.418 0.940 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC(Cn2cncn2)CC1 ZINC001235547131 1259577546 /nfs/dbraw/zinc/57/75/46/1259577546.db2.gz VFIKMTNPMFSJCM-UHFFFAOYSA-N -1 1 373.417 0.468 10 0 FCAEMM COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[C@](OC)(C(=O)[O-])C1 ZINC001331736051 1266275316 /nfs/dbraw/zinc/27/53/16/1266275316.db2.gz GRNLZEDJNAOQKJ-KBXCAEBGSA-N -1 1 367.398 0.813 10 0 FCAEMM Cn1nc2c(c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1)CCCC2 ZINC001335449737 1259667027 /nfs/dbraw/zinc/66/70/27/1259667027.db2.gz SXYWQSDLOULIKX-UHFFFAOYSA-N -1 1 356.448 0.080 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC2=C(CCC(=O)N2)C1 ZINC001254496561 1259887387 /nfs/dbraw/zinc/88/73/87/1259887387.db2.gz DGVNGZUFTBOCFB-UHFFFAOYSA-N -1 1 359.386 0.334 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001331850804 1266295434 /nfs/dbraw/zinc/29/54/34/1266295434.db2.gz ALXLHVYGWKTQCC-TZMCWYRMSA-N -1 1 354.366 0.727 10 0 FCAEMM Cc1cc(C)n2c(CN3CCN([C@@]4(C(=O)[O-])CCOC4)CC3)cnc2n1 ZINC001261786298 1260189203 /nfs/dbraw/zinc/18/92/03/1260189203.db2.gz BDMPRHMTHKZRJF-SFHVURJKSA-N -1 1 359.430 0.707 10 0 FCAEMM Cn1[n-]c(CN(CCO)[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)nc1=O ZINC001264076778 1260363471 /nfs/dbraw/zinc/36/34/71/1260363471.db2.gz MGCRLMYCMDLJLD-QWQRMKEZSA-N -1 1 363.462 0.084 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001281308595 1261108344 /nfs/dbraw/zinc/10/83/44/1261108344.db2.gz AXJVNHZOCUXPDJ-WHOFXGATSA-N -1 1 365.430 0.852 10 0 FCAEMM COCCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001281957728 1261308052 /nfs/dbraw/zinc/30/80/52/1261308052.db2.gz ORPLVOSYAIXRAG-BFHYXJOUSA-N -1 1 363.414 0.512 10 0 FCAEMM CS(=O)(=O)Cc1nc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)n[nH]1 ZINC001472082315 1261433121 /nfs/dbraw/zinc/43/31/21/1261433121.db2.gz MUDPANKAOKQVHE-UHFFFAOYSA-N -1 1 362.770 0.777 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)NC1(c2ncc(OC)c(=O)[n-]2)CCCC1 ZINC001472112455 1261438687 /nfs/dbraw/zinc/43/86/87/1261438687.db2.gz OQNJGTQNKZQADS-UHFFFAOYSA-N -1 1 372.447 0.358 10 0 FCAEMM Cc1nc(NC(=O)CCn2cc[n-]c(=O)c2=O)n(-c2ccc(F)cc2C)n1 ZINC001472136745 1261443077 /nfs/dbraw/zinc/44/30/77/1261443077.db2.gz NZKYYDPNSONVEB-UHFFFAOYSA-N -1 1 372.360 0.324 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001282402717 1261445888 /nfs/dbraw/zinc/44/58/88/1261445888.db2.gz QFMNACFIWSANII-AHIWAGSCSA-N -1 1 361.446 0.774 10 0 FCAEMM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001472255094 1261455980 /nfs/dbraw/zinc/45/59/80/1261455980.db2.gz FBLRXEPOSOGDBE-CQSZACIVSA-N -1 1 371.393 0.808 10 0 FCAEMM C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2)C1CC1 ZINC001282657696 1261571926 /nfs/dbraw/zinc/57/19/26/1261571926.db2.gz FIJSIHATCWQOPR-ATGSNQNLSA-N -1 1 374.441 0.221 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)c1ccccc1 ZINC001345492082 1261723324 /nfs/dbraw/zinc/72/33/24/1261723324.db2.gz DZKPFSPSTHKLSN-HIFRSBDPSA-N -1 1 370.409 0.346 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001287765622 1261972813 /nfs/dbraw/zinc/97/28/13/1261972813.db2.gz OBPXCOIOFFDOLP-AUSJPIAWSA-N -1 1 369.421 0.972 10 0 FCAEMM CC/C=C(/C)C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001289627094 1262278067 /nfs/dbraw/zinc/27/80/67/1262278067.db2.gz MQZBYGMJIMUZLU-CPLIYIOASA-N -1 1 360.414 0.717 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCn1ccnc1 ZINC001290958245 1262544684 /nfs/dbraw/zinc/54/46/84/1262544684.db2.gz QQRGHCZPVQIOGI-ZIAGYGMSSA-N -1 1 357.414 0.898 10 0 FCAEMM CCC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001292272313 1262676796 /nfs/dbraw/zinc/67/67/96/1262676796.db2.gz AKWGFHWPVXEQCX-SGTLLEGYSA-N -1 1 360.414 0.424 10 0 FCAEMM CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001293063438 1262708535 /nfs/dbraw/zinc/70/85/35/1262708535.db2.gz PVBLMCLOZSHGPG-UHFFFAOYSA-N -1 1 361.398 0.324 10 0 FCAEMM CN(CCCNC(=O)[C@]12C[C@H]1CCC2)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001294240438 1262728938 /nfs/dbraw/zinc/72/89/38/1262728938.db2.gz TYXNXWYDYQWBPB-FZKQIMNGSA-N -1 1 362.430 0.082 10 0 FCAEMM CC(C)CNC(=O)C1(NC(=O)CNC(=O)c2ncccc2[O-])CCCC1 ZINC001294432384 1262732747 /nfs/dbraw/zinc/73/27/47/1262732747.db2.gz ZNQVHPLFXPWMAY-UHFFFAOYSA-N -1 1 362.430 0.718 10 0 FCAEMM CCN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001296337712 1262805784 /nfs/dbraw/zinc/80/57/84/1262805784.db2.gz OEEWUYTYQKHJRI-FZKQIMNGSA-N -1 1 362.430 0.082 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)c1 ZINC001296501563 1262814593 /nfs/dbraw/zinc/81/45/93/1262814593.db2.gz SNZXZNSOVDFXCY-UHFFFAOYSA-N -1 1 357.370 0.553 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC001299653088 1262974189 /nfs/dbraw/zinc/97/41/89/1262974189.db2.gz YICAQXSFGQKEHX-OAHLLOKOSA-N -1 1 356.338 0.381 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1nn[n-]n1)O2 ZINC001301005958 1262999234 /nfs/dbraw/zinc/99/92/34/1262999234.db2.gz NDNUVWHMCLBOHE-LLVKDONJSA-N -1 1 366.422 0.417 10 0 FCAEMM CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001301547787 1263010528 /nfs/dbraw/zinc/01/05/28/1263010528.db2.gz LYVLJJCBDLLXIJ-SECBINFHSA-N -1 1 362.394 0.924 10 0 FCAEMM O=C(CN1Cc2ccccc2C1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302842867 1263063438 /nfs/dbraw/zinc/06/34/38/1263063438.db2.gz NBCSKCOBXJBGNN-UHFFFAOYSA-N -1 1 354.366 0.527 10 0 FCAEMM O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302936494 1263066127 /nfs/dbraw/zinc/06/61/27/1263066127.db2.gz ITJNLQFWYBJYNS-OLUVUFQESA-N -1 1 371.319 0.327 10 0 FCAEMM O=C(NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1)c1ncccc1[O-] ZINC001493533675 1263725595 /nfs/dbraw/zinc/72/55/95/1263725595.db2.gz JIRANNADMKUURP-UPJWGTAASA-N -1 1 355.398 0.939 10 0 FCAEMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001493585640 1263729635 /nfs/dbraw/zinc/72/96/35/1263729635.db2.gz YCUDKOSOHSCJHE-VHSXEESVSA-N -1 1 365.356 0.948 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)Cn1cncn1 ZINC001322053414 1264138519 /nfs/dbraw/zinc/13/85/19/1264138519.db2.gz ZIVHMPACOUSTNJ-LLVKDONJSA-N -1 1 353.386 0.479 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N2CC[C@H](CC(N)=O)C2)C1=O ZINC001322874645 1264285854 /nfs/dbraw/zinc/28/58/54/1264285854.db2.gz ANHKFNPPRRERLX-RISCZKNCSA-N -1 1 359.382 0.522 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@H](O)C1(C)C ZINC001324725301 1264688962 /nfs/dbraw/zinc/68/89/62/1264688962.db2.gz UIHIDHPUJZLTSW-AWEZNQCLSA-N -1 1 364.446 0.632 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001522969114 1266596207 /nfs/dbraw/zinc/59/62/07/1266596207.db2.gz ZOINAJYRAAYVDS-JDNHERCYSA-N -1 1 350.375 0.323 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)c2nn[nH]n2)C1 ZINC001528748698 1266994120 /nfs/dbraw/zinc/99/41/20/1266994120.db2.gz ABSFJZMJEJFWBY-DYVFJYSZSA-N -1 1 374.401 0.979 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)c2nn[n-]n2)C1 ZINC001528748698 1266994126 /nfs/dbraw/zinc/99/41/26/1266994126.db2.gz ABSFJZMJEJFWBY-DYVFJYSZSA-N -1 1 374.401 0.979 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCCC1 ZINC001334757878 1267163787 /nfs/dbraw/zinc/16/37/87/1267163787.db2.gz ACTPRNYDSURTPH-NEPJUHHUSA-N -1 1 360.414 0.458 10 0 FCAEMM CN(CCN(C)C(=O)[C@]12C[C@H]1CCC2)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001533025112 1267195741 /nfs/dbraw/zinc/19/57/41/1267195741.db2.gz OZCBVJZMAXHDMA-FZKQIMNGSA-N -1 1 362.430 0.034 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001535224823 1267285178 /nfs/dbraw/zinc/28/51/78/1267285178.db2.gz RBJJHYNFHGPINI-VXGBXAGGSA-N -1 1 355.398 0.703 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)[n-]c1Cl ZINC001538201124 1267396323 /nfs/dbraw/zinc/39/63/23/1267396323.db2.gz UGCJYHBTTDYGPM-LBPRGKRZSA-N -1 1 365.795 0.382 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3C[C@@H]4COC[C@H](C3)O4)c(=O)c2c(OC)c1 ZINC001335202402 1267402939 /nfs/dbraw/zinc/40/29/39/1267402939.db2.gz PMXGLOKYCRBQAY-TXEJJXNPSA-N -1 1 360.366 0.785 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC001539718902 1267434554 /nfs/dbraw/zinc/43/45/54/1267434554.db2.gz METDWRRKOIQBBO-UHFFFAOYSA-N -1 1 361.427 0.941 10 0 FCAEMM COc1ccc([C@@H](CNC(=O)CCc2nn[n-]n2)N2CCOCC2)cc1 ZINC001540579457 1267453155 /nfs/dbraw/zinc/45/31/55/1267453155.db2.gz XRTVFLCEYRCPQX-OAHLLOKOSA-N -1 1 360.418 0.331 10 0 FCAEMM CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCc2nn[n-]n2)CC1 ZINC001541006236 1267473501 /nfs/dbraw/zinc/47/35/01/1267473501.db2.gz YOIQGVGWYDGXIF-UHFFFAOYSA-N -1 1 367.454 0.191 10 0 FCAEMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001542348581 1267494943 /nfs/dbraw/zinc/49/49/43/1267494943.db2.gz JUNDBCYSRZGCRG-MNOVXSKESA-N -1 1 368.459 0.907 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC001543693999 1267556772 /nfs/dbraw/zinc/55/67/72/1267556772.db2.gz KUMHXNBUPGHKHY-UHFFFAOYSA-N -1 1 354.413 0.357 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CN3Cc4ccccc4OC3=O)nc2n1 ZINC001544981684 1267600741 /nfs/dbraw/zinc/60/07/41/1267600741.db2.gz FLBQNDSVCZJHIZ-UHFFFAOYSA-N -1 1 354.326 0.679 10 0 FCAEMM C[C@@H]1CN(Cc2csc(NC(=O)CCc3nn[n-]n3)n2)C[C@H](C)O1 ZINC001545036033 1267602651 /nfs/dbraw/zinc/60/26/51/1267602651.db2.gz LZIDMQKPUZLYFN-AOOOYVTPSA-N -1 1 351.436 0.837 10 0 FCAEMM Cc1cc(NCCNC(=O)c2cnc(C3CC3)[n-]c2=O)n2ncnc2n1 ZINC001545140271 1267605343 /nfs/dbraw/zinc/60/53/43/1267605343.db2.gz IPDGOQCLJMRCRA-UHFFFAOYSA-N -1 1 354.374 0.648 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CC(N)=O)c1 ZINC001546105618 1267635249 /nfs/dbraw/zinc/63/52/49/1267635249.db2.gz PRWGAOHHLKBMAV-SNVBAGLBSA-N -1 1 357.432 0.873 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCNC1=O ZINC001556693077 1268881207 /nfs/dbraw/zinc/88/12/07/1268881207.db2.gz WQNSBFWAOCZCAS-AWEZNQCLSA-N -1 1 355.398 0.880 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=C2CCCN=C2NN1 ZINC001557252311 1268937691 /nfs/dbraw/zinc/93/76/91/1268937691.db2.gz KKHURYRDBGGUJU-WPRPVWTQSA-N -1 1 359.352 0.599 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)n[n-]1 ZINC001557454676 1268948755 /nfs/dbraw/zinc/94/87/55/1268948755.db2.gz NURXNXMKWXUHTM-VIFPVBQESA-N -1 1 372.385 0.851 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)[n-]1 ZINC001557454676 1268948764 /nfs/dbraw/zinc/94/87/64/1268948764.db2.gz NURXNXMKWXUHTM-VIFPVBQESA-N -1 1 372.385 0.851 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)n1 ZINC001557454676 1268948773 /nfs/dbraw/zinc/94/87/73/1268948773.db2.gz NURXNXMKWXUHTM-VIFPVBQESA-N -1 1 372.385 0.851 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCCNC(=O)CC2)co1 ZINC001557886560 1268984850 /nfs/dbraw/zinc/98/48/50/1268984850.db2.gz ZVYCLKXSNKDBFK-UHFFFAOYSA-N -1 1 357.432 0.710 10 0 FCAEMM COC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001558339666 1269068749 /nfs/dbraw/zinc/06/87/49/1269068749.db2.gz JNUWKMFYFMOWLY-QWRGUYRKSA-N -1 1 354.411 0.697 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H](COC)c1nn[n-]n1 ZINC001558339902 1269068778 /nfs/dbraw/zinc/06/87/78/1269068778.db2.gz QAVYJHWNFQCHQU-NSHDSACASA-N -1 1 353.404 0.040 10 0 FCAEMM CCOC(=O)[C@H](CC(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1)C(C)=O ZINC001558500253 1269101463 /nfs/dbraw/zinc/10/14/63/1269101463.db2.gz PAOATBWJELIDMF-SNVBAGLBSA-N -1 1 353.375 0.701 10 0 FCAEMM COCCn1cc(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)ccc1=O ZINC001558532261 1269106312 /nfs/dbraw/zinc/10/63/12/1269106312.db2.gz JDWJSYBCYYKZKO-UHFFFAOYSA-N -1 1 362.386 0.319 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)o1 ZINC001558538824 1269107911 /nfs/dbraw/zinc/10/79/11/1269107911.db2.gz FNLFXUAXOVQJKS-DOMZBBRYSA-N -1 1 350.396 0.966 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[n-]c1=O ZINC001558702983 1269132692 /nfs/dbraw/zinc/13/26/92/1269132692.db2.gz DAOQDGDFKBXGRY-GRYCIOLGSA-N -1 1 360.374 0.455 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)c2ccc([O-])cc2o1 ZINC001559897863 1269179919 /nfs/dbraw/zinc/17/99/19/1269179919.db2.gz ZCFDYMZCLBEZAA-ZBFHGGJFSA-N -1 1 365.407 0.887 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(F)(F)F ZINC001341753869 1269187260 /nfs/dbraw/zinc/18/72/60/1269187260.db2.gz VQTPGDWYMKPIEQ-IQJOONFLSA-N -1 1 361.320 0.677 10 0 FCAEMM COC(=O)[C@@H](NC(=O)CN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1)C(C)C ZINC001560206430 1269196712 /nfs/dbraw/zinc/19/67/12/1269196712.db2.gz XOEVNABAUMWFGL-RISCZKNCSA-N -1 1 366.418 0.642 10 0 FCAEMM Cn1nccc1C[C@@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248607 1269459482 /nfs/dbraw/zinc/45/94/82/1269459482.db2.gz ZJLNZHDXUFIQSE-ZDUSSCGKSA-N -1 1 372.429 0.905 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001565886885 1269504498 /nfs/dbraw/zinc/50/44/98/1269504498.db2.gz VUKVSIBACNOBTP-UHFFFAOYSA-N -1 1 365.415 0.369 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCCCO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001566022108 1269559967 /nfs/dbraw/zinc/55/99/67/1269559967.db2.gz CHRJDFRYIXUTPU-QLFBSQMISA-N -1 1 365.478 0.927 10 0 FCAEMM O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001567334771 1269689800 /nfs/dbraw/zinc/68/98/00/1269689800.db2.gz UWNIAWQTIKUPBJ-UHFFFAOYSA-N -1 1 365.305 0.207 10 0 FCAEMM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001567422604 1269693514 /nfs/dbraw/zinc/69/35/14/1269693514.db2.gz IIGYHQMADGLLSH-QGZVFWFLSA-N -1 1 368.393 0.525 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC001569733554 1269800257 /nfs/dbraw/zinc/80/02/57/1269800257.db2.gz VZKJOPMVJMOMKP-SNVBAGLBSA-N -1 1 358.171 0.884 10 0 FCAEMM CC(C)C[C@H](CNC(=O)CCc1nn[n-]n1)CC(=O)O[C@H]1CCOC1 ZINC001570826582 1269917515 /nfs/dbraw/zinc/91/75/15/1269917515.db2.gz ZHJCWYVFBVYOCM-STQMWFEESA-N -1 1 353.423 0.633 10 0 FCAEMM CC(C)C[C@H](CNC(=O)CCc1nn[n-]n1)CC(=O)O[C@@H]1CCOC1 ZINC001570826581 1269917755 /nfs/dbraw/zinc/91/77/55/1269917755.db2.gz ZHJCWYVFBVYOCM-QWHCGFSZSA-N -1 1 353.423 0.633 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(Cc3nnn[n-]3)n1C[C@H]1CCOC1)C2 ZINC001344192855 1270111896 /nfs/dbraw/zinc/11/18/96/1270111896.db2.gz WNBQWSZNRIULQZ-YGRLFVJLSA-N -1 1 366.376 0.654 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(Cc3nn[n-]n3)n1C[C@H]1CCOC1)C2 ZINC001344192855 1270111901 /nfs/dbraw/zinc/11/19/01/1270111901.db2.gz WNBQWSZNRIULQZ-YGRLFVJLSA-N -1 1 366.376 0.654 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001573186428 1270646357 /nfs/dbraw/zinc/64/63/57/1270646357.db2.gz UYJFKZKWGQBPNG-OUAUKWLOSA-N -1 1 366.418 0.957 10 0 FCAEMM COCCOCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001573472443 1270786469 /nfs/dbraw/zinc/78/64/69/1270786469.db2.gz BMZQXSFJKVBUBW-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CCS(=O)(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001574438007 1271276789 /nfs/dbraw/zinc/27/67/89/1271276789.db2.gz DYQGIRIQNMGEIS-UTUOFQBUSA-N -1 1 367.427 0.084 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001580928234 1279142570 /nfs/dbraw/zinc/14/25/70/1279142570.db2.gz XVPKWRRIJUTSDJ-CHWSQXEVSA-N -1 1 364.446 0.184 10 0 FCAEMM C[C@@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001716495601 1287381757 /nfs/dbraw/zinc/38/17/57/1287381757.db2.gz VCNZUKSEAZGZFU-MYPMTAMASA-N -1 1 359.430 0.527 10 0 FCAEMM COC(=O)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)CC1CCCC1 ZINC001603597679 1287432643 /nfs/dbraw/zinc/43/26/43/1287432643.db2.gz YQUFRHNWJRXZJT-ZDUSSCGKSA-N -1 1 351.403 0.412 10 0 FCAEMM COC(=O)C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)cc1OC ZINC001631778616 1282111504 /nfs/dbraw/zinc/11/15/04/1282111504.db2.gz JLYSNPQCKZMKCP-GFCCVEGCSA-N -1 1 363.374 0.570 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC001584176547 1282141184 /nfs/dbraw/zinc/14/11/84/1282141184.db2.gz QDMWEMNNGCIRPR-WYGGZMRJSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C=CCOC2CCOCC2)[n-]1 ZINC001584176547 1282141186 /nfs/dbraw/zinc/14/11/86/1282141186.db2.gz QDMWEMNNGCIRPR-WYGGZMRJSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)/C=C\COC2CCOCC2)n1 ZINC001584176547 1282141187 /nfs/dbraw/zinc/14/11/87/1282141187.db2.gz QDMWEMNNGCIRPR-WYGGZMRJSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n[n-]1 ZINC001584176961 1282141221 /nfs/dbraw/zinc/14/12/21/1282141221.db2.gz ZRSGOFQYPHMVIB-QWRGUYRKSA-N -1 1 366.422 0.741 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)[n-]1 ZINC001584176961 1282141224 /nfs/dbraw/zinc/14/12/24/1282141224.db2.gz ZRSGOFQYPHMVIB-QWRGUYRKSA-N -1 1 366.422 0.741 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)n1 ZINC001584176961 1282141227 /nfs/dbraw/zinc/14/12/27/1282141227.db2.gz ZRSGOFQYPHMVIB-QWRGUYRKSA-N -1 1 366.422 0.741 10 0 FCAEMM CC(C)(CN1CCOCC1)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001631985455 1282146843 /nfs/dbraw/zinc/14/68/43/1282146843.db2.gz MUVFYHCZYRTBJQ-UHFFFAOYSA-N -1 1 357.432 0.337 10 0 FCAEMM C[C@H](CN(C)C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001632363291 1282170972 /nfs/dbraw/zinc/17/09/72/1282170972.db2.gz DVKFQUZLAVYSSA-SFYZADRCSA-N -1 1 369.476 0.427 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)n[n-]1 ZINC001632562782 1282187303 /nfs/dbraw/zinc/18/73/03/1282187303.db2.gz POMSSGVRRJKXFX-ZJUUUORDSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)[n-]1 ZINC001632562782 1282187309 /nfs/dbraw/zinc/18/73/09/1282187309.db2.gz POMSSGVRRJKXFX-ZJUUUORDSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)n1 ZINC001632562782 1282187317 /nfs/dbraw/zinc/18/73/17/1282187317.db2.gz POMSSGVRRJKXFX-ZJUUUORDSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@H]2CCOC[C@@H]2OCC)n[n-]1 ZINC001632567077 1282187375 /nfs/dbraw/zinc/18/73/75/1282187375.db2.gz BAAINOMCSLIBQX-TUAOUCFPSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@H]2CCOC[C@@H]2OCC)[n-]1 ZINC001632567077 1282187381 /nfs/dbraw/zinc/18/73/81/1282187381.db2.gz BAAINOMCSLIBQX-TUAOUCFPSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@H]2CCOC[C@@H]2OCC)n1 ZINC001632567077 1282187385 /nfs/dbraw/zinc/18/73/85/1282187385.db2.gz BAAINOMCSLIBQX-TUAOUCFPSA-N -1 1 354.407 0.990 10 0 FCAEMM COc1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1O ZINC001632571282 1282188245 /nfs/dbraw/zinc/18/82/45/1282188245.db2.gz SRUDCUWDXIPBBD-UHFFFAOYSA-N -1 1 352.368 0.935 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC001632647559 1282193995 /nfs/dbraw/zinc/19/39/95/1282193995.db2.gz MZQVAKBVUOGMOO-ZDUSSCGKSA-N -1 1 368.319 0.851 10 0 FCAEMM COCCOc1cncc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC001585197362 1282212658 /nfs/dbraw/zinc/21/26/58/1282212658.db2.gz VAOKCEMMMZHFDN-LBPRGKRZSA-N -1 1 352.420 0.844 10 0 FCAEMM O=C([C@@H]1C[C@@H](c2ccccc2)OC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895764 1282281817 /nfs/dbraw/zinc/28/18/17/1282281817.db2.gz QEVIAEFZYHZSKM-STQMWFEESA-N -1 1 357.370 0.314 10 0 FCAEMM CN(C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)c1nn[n-]n1 ZINC001634121539 1282301438 /nfs/dbraw/zinc/30/14/38/1282301438.db2.gz NLQBPQBZJBQUMG-UHFFFAOYSA-N -1 1 353.408 0.886 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)nc2n1 ZINC001587187734 1282340815 /nfs/dbraw/zinc/34/08/15/1282340815.db2.gz CURLFAFWXXBNIW-BDAKNGLRSA-N -1 1 361.280 0.265 10 0 FCAEMM COc1ccc2[nH]c([C@@H](C)NC(=O)CCn3cc[n-]c(=O)c3=O)nc2c1 ZINC001634654655 1282342726 /nfs/dbraw/zinc/34/27/26/1282342726.db2.gz JOZVTBRSSUVYKC-SNVBAGLBSA-N -1 1 357.370 0.689 10 0 FCAEMM COc1ccc2[nH]c([C@H](C)NC(=O)CCn3cc[n-]c(=O)c3=O)nc2c1 ZINC001634654654 1282342883 /nfs/dbraw/zinc/34/28/83/1282342883.db2.gz JOZVTBRSSUVYKC-JTQLQIEISA-N -1 1 357.370 0.689 10 0 FCAEMM Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635007018 1282372868 /nfs/dbraw/zinc/37/28/68/1282372868.db2.gz CSEMMFJAQXUOAU-UHFFFAOYSA-N -1 1 359.434 0.476 10 0 FCAEMM COC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001635090530 1282377820 /nfs/dbraw/zinc/37/78/20/1282377820.db2.gz LBWXKUPJJVZJGS-CYBMUJFWSA-N -1 1 370.369 0.610 10 0 FCAEMM CCn1c(=O)c2ccc(C(=O)N[C@H](CO)Cc3cnc[nH]3)cc2[n-]c1=S ZINC001587876073 1282383738 /nfs/dbraw/zinc/38/37/38/1282383738.db2.gz UHEUUBMQNAXDOO-LBPRGKRZSA-N -1 1 373.438 0.762 10 0 FCAEMM Cn1nc2c(c1C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CSCC2 ZINC001588033083 1282399370 /nfs/dbraw/zinc/39/93/70/1282399370.db2.gz POZPHGNHHNHMHI-UHFFFAOYSA-N -1 1 361.427 0.708 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001588033415 1282399613 /nfs/dbraw/zinc/39/96/13/1282399613.db2.gz VXOONSMVCVTNGD-WDEREUQCSA-N -1 1 365.386 0.229 10 0 FCAEMM COC(=O)C=Cc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001588031952 1282400096 /nfs/dbraw/zinc/40/00/96/1282400096.db2.gz BGQFJWKQKMLIQR-HWKANZROSA-N -1 1 359.338 0.964 10 0 FCAEMM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001635452515 1282406437 /nfs/dbraw/zinc/40/64/37/1282406437.db2.gz AOLCEULLWFIIBO-CYBMUJFWSA-N -1 1 370.413 0.828 10 0 FCAEMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001636417972 1282498788 /nfs/dbraw/zinc/49/87/88/1282498788.db2.gz QORIEPKXGKCEOR-KGLIPLIRSA-N -1 1 366.418 0.361 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC001636802583 1282538508 /nfs/dbraw/zinc/53/85/08/1282538508.db2.gz TTWQXOLCEBWCGK-VIFPVBQESA-N -1 1 353.379 0.440 10 0 FCAEMM CNS(=O)(=O)c1ccc(CC(=O)N(Cc2nn[n-]n2)CC(C)C)cc1 ZINC001637057753 1282555931 /nfs/dbraw/zinc/55/59/31/1282555931.db2.gz JFWRBTZNXQMFBK-UHFFFAOYSA-N -1 1 366.447 0.335 10 0 FCAEMM Cc1nc2ccccc2c(=O)n1CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001637057836 1282556735 /nfs/dbraw/zinc/55/67/35/1282556735.db2.gz MTALKLIOSSPVHP-UHFFFAOYSA-N -1 1 355.402 0.903 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)o1 ZINC001637799438 1282626272 /nfs/dbraw/zinc/62/62/72/1282626272.db2.gz VMTILAZJFOTTBU-NSHDSACASA-N -1 1 365.415 0.329 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909544 1282639137 /nfs/dbraw/zinc/63/91/37/1282639137.db2.gz HDBUCFQJVINIBU-MXWKQRLJSA-N -1 1 366.374 0.366 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909544 1282639149 /nfs/dbraw/zinc/63/91/49/1282639149.db2.gz HDBUCFQJVINIBU-MXWKQRLJSA-N -1 1 366.374 0.366 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909544 1282639159 /nfs/dbraw/zinc/63/91/59/1282639159.db2.gz HDBUCFQJVINIBU-MXWKQRLJSA-N -1 1 366.374 0.366 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2csc(S(C)(=O)=O)c2)n[n-]1 ZINC001638577985 1282706877 /nfs/dbraw/zinc/70/68/77/1282706877.db2.gz NHFNNTKOASVQNP-UHFFFAOYSA-N -1 1 358.401 0.376 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC001638577985 1282706883 /nfs/dbraw/zinc/70/68/83/1282706883.db2.gz NHFNNTKOASVQNP-UHFFFAOYSA-N -1 1 358.401 0.376 10 0 FCAEMM CC(C)(C)OC(=O)c1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)[nH]n1 ZINC001639026045 1282741589 /nfs/dbraw/zinc/74/15/89/1282741589.db2.gz VNBWLICPHRJFQW-JTQLQIEISA-N -1 1 365.419 0.808 10 0 FCAEMM COC(=O)C[C@@]1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CCCOC1 ZINC001639040924 1282743087 /nfs/dbraw/zinc/74/30/87/1282743087.db2.gz IOMCNYDKZMQCSA-HNNXBMFYSA-N -1 1 350.400 0.860 10 0 FCAEMM O=C(CNC(=O)c1ccccc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001639431665 1282787285 /nfs/dbraw/zinc/78/72/85/1282787285.db2.gz AXFPXSZSAAEFGE-UHFFFAOYSA-N -1 1 364.793 0.093 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)n1 ZINC001639810399 1282816529 /nfs/dbraw/zinc/81/65/29/1282816529.db2.gz SRVVETPGXUDZQR-NEPJUHHUSA-N -1 1 363.418 0.589 10 0 FCAEMM O=C(CCCc1nn[n-]n1)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC001639852213 1282821681 /nfs/dbraw/zinc/82/16/81/1282821681.db2.gz YHKSWKDXACTNFI-UHFFFAOYSA-N -1 1 370.392 0.886 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCn2nc(C(F)(F)F)cc2C1 ZINC001639854599 1282821848 /nfs/dbraw/zinc/82/18/48/1282821848.db2.gz SMSZOCSIWXBHTD-UHFFFAOYSA-N -1 1 359.264 0.768 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nc(-c4ccccc4)no3)cc2S1(=O)=O ZINC001641224153 1282932306 /nfs/dbraw/zinc/93/23/06/1282932306.db2.gz GYNIQRVICOEYJX-UHFFFAOYSA-N -1 1 374.382 0.820 10 0 FCAEMM CCCCC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1 ZINC001682256716 1283548284 /nfs/dbraw/zinc/54/82/84/1283548284.db2.gz YVHRJVQLZSJGDM-UONOGXRCSA-N -1 1 362.430 0.176 10 0 FCAEMM CCSCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001683195259 1283891366 /nfs/dbraw/zinc/89/13/66/1283891366.db2.gz SCVVVEMISYNBBD-DGCLKSJQSA-N -1 1 353.444 0.886 10 0 FCAEMM CCOC(=O)[C@H](C)C1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001683593613 1284053697 /nfs/dbraw/zinc/05/36/97/1284053697.db2.gz ABNRAFFGTKJZFA-SNVBAGLBSA-N -1 1 364.402 0.596 10 0 FCAEMM C[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)NC(N)=O ZINC001702972095 1286028910 /nfs/dbraw/zinc/02/89/10/1286028910.db2.gz DOOLTKIZCJDOLM-KKOKHZNYSA-N -1 1 361.402 0.096 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001704045482 1286177353 /nfs/dbraw/zinc/17/73/53/1286177353.db2.gz ZJODAYOUWLENOK-YNEHKIRRSA-N -1 1 364.446 0.230 10 0 FCAEMM CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001704461846 1286253131 /nfs/dbraw/zinc/25/31/31/1286253131.db2.gz AIEGBIKLOPNWEJ-UPJWGTAASA-N -1 1 360.414 0.362 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)c1nn[n-]n1 ZINC001595889464 1286267452 /nfs/dbraw/zinc/26/74/52/1286267452.db2.gz PTJKUYLFQNOSJH-LBPRGKRZSA-N -1 1 351.388 0.253 10 0 FCAEMM COc1cc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])ccc1O ZINC001597336344 1286339377 /nfs/dbraw/zinc/33/93/77/1286339377.db2.gz ZUQNWGCRQCMPRR-UHFFFAOYSA-N -1 1 352.368 0.935 10 0 FCAEMM Cc1nnc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])[nH]1 ZINC001597371012 1286341420 /nfs/dbraw/zinc/34/14/20/1286341420.db2.gz LZHYILFGYNKKBW-UHFFFAOYSA-N -1 1 351.388 0.441 10 0 FCAEMM Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001597410313 1286343087 /nfs/dbraw/zinc/34/30/87/1286343087.db2.gz XWHORMVIDWZKPT-UHFFFAOYSA-N -1 1 371.365 0.994 10 0 FCAEMM COC(=O)[C@H](Cn1cncn1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC001597957085 1286371479 /nfs/dbraw/zinc/37/14/79/1286371479.db2.gz IBJGOUJZYYBRCR-JTQLQIEISA-N -1 1 362.390 0.351 10 0 FCAEMM COCCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001719164793 1287817675 /nfs/dbraw/zinc/81/76/75/1287817675.db2.gz GPHKEYNHXITXQY-CHWSQXEVSA-N -1 1 351.403 0.417 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001719347045 1288105358 /nfs/dbraw/zinc/10/53/58/1288105358.db2.gz BRCINIDSQGZDLQ-MGPQQGTHSA-N -1 1 360.414 0.375 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@H](C)NC(N)=O)CCN1C(=O)c1ncccc1[O-] ZINC001719544367 1288174860 /nfs/dbraw/zinc/17/48/60/1288174860.db2.gz YNSAPSQQRFSPGA-SDDRHHMPSA-N -1 1 363.418 0.343 10 0 FCAEMM CC[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001721493040 1288344141 /nfs/dbraw/zinc/34/41/41/1288344141.db2.gz BCBTVDOCTZUJJJ-CZIZLABSSA-N -1 1 358.402 0.232 10 0 FCAEMM C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001721917356 1288388930 /nfs/dbraw/zinc/38/89/30/1288388930.db2.gz BENNQLUXWQKRAV-ADEWGFFLSA-N -1 1 358.402 0.088 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001733470059 1288612134 /nfs/dbraw/zinc/61/21/34/1288612134.db2.gz CCIZQJFWIJRXLH-YPMHNXCESA-N -1 1 353.423 0.080 10 0 FCAEMM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001735257180 1288710934 /nfs/dbraw/zinc/71/09/34/1288710934.db2.gz LVJUSMCFXQUQHW-RWMBFGLXSA-N -1 1 361.423 0.859 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001735422072 1288737811 /nfs/dbraw/zinc/73/78/11/1288737811.db2.gz NXVJLORRNHHQRJ-SOUVJXGZSA-N -1 1 370.409 0.535 10 0 FCAEMM C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001736355556 1289276376 /nfs/dbraw/zinc/27/63/76/1289276376.db2.gz AIYBJPCBGRWIGF-XFDQCWFDSA-N -1 1 364.402 0.687 10 0 FCAEMM O=C(CCNC(=O)c1cccc([O-])c1F)N1CCN(c2ncccn2)CC1 ZINC001611242829 1289637977 /nfs/dbraw/zinc/63/79/77/1289637977.db2.gz NUQOJQPQROWYGJ-UHFFFAOYSA-N -1 1 373.388 0.790 10 0 FCAEMM O=C(COCC(F)F)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001702144588 1289749430 /nfs/dbraw/zinc/74/94/30/1289749430.db2.gz XIUNSWUALFPQMM-WDEREUQCSA-N -1 1 355.341 0.742 10 0 FCAEMM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001615414098 1289756186 /nfs/dbraw/zinc/75/61/86/1289756186.db2.gz PNAJEFLTYFOYSG-UHFFFAOYSA-N -1 1 367.427 0.813 10 0 FCAEMM Nc1cc(Br)ccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616142828 1289769193 /nfs/dbraw/zinc/76/91/93/1289769193.db2.gz WEISAUAYHQDEDK-JTQLQIEISA-N -1 1 353.180 0.758 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)Cn2cc(C(=O)OC)cn2)[n-]c1Cl ZINC001617107696 1289814630 /nfs/dbraw/zinc/81/46/30/1289814630.db2.gz LAELCGXUSLNSCY-UHFFFAOYSA-N -1 1 355.738 0.862 10 0 FCAEMM O=C(c1ccnc(-c2ccccn2)n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617702860 1289856488 /nfs/dbraw/zinc/85/64/88/1289856488.db2.gz FRDHYZKLYGETOF-UHFFFAOYSA-N -1 1 352.358 0.176 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)/C=C/Cn3cncn3)CC2)n1 ZINC001618407903 1289904304 /nfs/dbraw/zinc/90/43/04/1289904304.db2.gz DDKAAKYNWLACIM-ONEGZZNKSA-N -1 1 359.390 0.535 10 0 FCAEMM COCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001702304293 1289997192 /nfs/dbraw/zinc/99/71/92/1289997192.db2.gz XMOCFKFXNCCEKV-OUCADQQQSA-N -1 1 351.403 0.415 10 0 FCAEMM CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C(C)C ZINC001702353768 1290114882 /nfs/dbraw/zinc/11/48/82/1290114882.db2.gz VVDLOWZEERGPOS-OSAQELSMSA-N -1 1 351.403 0.150 10 0 FCAEMM COc1ccc(C(=O)N2CCN(C(=O)c3cnncc3[O-])CC2)cc1OC ZINC001623886944 1290240488 /nfs/dbraw/zinc/24/04/88/1290240488.db2.gz ZWZOONWMQSYNCD-UHFFFAOYSA-N -1 1 372.381 0.798 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC001624443687 1290273267 /nfs/dbraw/zinc/27/32/67/1290273267.db2.gz YMYPYRCEXKQVSF-LBPRGKRZSA-N -1 1 358.402 0.616 10 0 FCAEMM C[C@H](CN(C)C(=O)c1nc(N(C)C)ncc1Br)c1nn[n-]n1 ZINC001624667932 1290285867 /nfs/dbraw/zinc/28/58/67/1290285867.db2.gz RROFZZQFQOQGRH-SSDOTTSWSA-N -1 1 369.227 0.694 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC001625611560 1290354716 /nfs/dbraw/zinc/35/47/16/1290354716.db2.gz MQGLQECBEIHKNU-QAVQXKDTSA-N -1 1 359.415 0.284 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001625698331 1290360545 /nfs/dbraw/zinc/36/05/45/1290360545.db2.gz WJHMLDMJTFLJGT-IBGZPJMESA-N -1 1 366.377 0.639 10 0 FCAEMM CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC001625747054 1290363422 /nfs/dbraw/zinc/36/34/22/1290363422.db2.gz ZVYWMTDUFXKMIM-CYBMUJFWSA-N -1 1 372.425 0.771 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCC(=O)Nc1ccc(Br)cc1 ZINC001626108915 1290377063 /nfs/dbraw/zinc/37/70/63/1290377063.db2.gz KBCBPADBMMAXOO-UHFFFAOYSA-N -1 1 353.180 0.650 10 0 FCAEMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CC(=O)N1 ZINC001626570990 1290404013 /nfs/dbraw/zinc/40/40/13/1290404013.db2.gz ISCBRZLXYGVEQC-OAHLLOKOSA-N -1 1 359.407 0.992 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001627470137 1290464627 /nfs/dbraw/zinc/46/46/27/1290464627.db2.gz TUQSTPJYXHTEGA-INIZCTEOSA-N -1 1 353.396 0.543 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001740209659 1290515994 /nfs/dbraw/zinc/51/59/94/1290515994.db2.gz OVZFRALLQVOOPK-VXGBXAGGSA-N -1 1 371.397 0.811 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC001628233724 1290517873 /nfs/dbraw/zinc/51/78/73/1290517873.db2.gz HAXKXESOYCGXGW-UHFFFAOYSA-N -1 1 360.442 0.418 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccc(N2CCOCC2)cc1 ZINC001628514099 1290539770 /nfs/dbraw/zinc/53/97/70/1290539770.db2.gz NGRGIPMFOFOODU-UHFFFAOYSA-N -1 1 356.382 0.992 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)CCc3nn[n-]n3)CC[C@H]21 ZINC001628526772 1290540461 /nfs/dbraw/zinc/54/04/61/1290540461.db2.gz ZLQACRHJLHPHEO-NWDGAFQWSA-N -1 1 350.423 0.990 10 0 FCAEMM COc1ccc(NC(=O)CCc2cnn(C)n2)cc1[N-]S(C)(=O)=O ZINC001629489243 1290601033 /nfs/dbraw/zinc/60/10/33/1290601033.db2.gz OFJUHBVUYCZQGE-UHFFFAOYSA-N -1 1 353.404 0.767 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001629873316 1290629872 /nfs/dbraw/zinc/62/98/72/1290629872.db2.gz BKZBAJBYJGOHAZ-GFCCVEGCSA-N -1 1 360.418 0.921 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\COC2CCOCC2)c1 ZINC001631408242 1290728564 /nfs/dbraw/zinc/72/85/64/1290728564.db2.gz QHNGMBDRCJZLBJ-UPHRSURJSA-N -1 1 356.400 0.730 10 0 FCAEMM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](c3nn[n-]n3)C1)C2=O ZINC001643386858 1290880591 /nfs/dbraw/zinc/88/05/91/1290880591.db2.gz KCISEPCVIZQBSB-NOEPWBJOSA-N -1 1 361.406 0.016 10 0 FCAEMM O=C(c1cc(Br)cn2ncnc12)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643391288 1290882725 /nfs/dbraw/zinc/88/27/25/1290882725.db2.gz VFDWPCFCYFXUTQ-ZETCQYMHSA-N -1 1 363.179 0.635 10 0 FCAEMM COC1(OC)CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H]1O ZINC001643456039 1290895016 /nfs/dbraw/zinc/89/50/16/1290895016.db2.gz XKYIMUAFKTVFTI-CYBMUJFWSA-N -1 1 364.402 0.177 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001643820213 1290917122 /nfs/dbraw/zinc/91/71/22/1290917122.db2.gz HRWBNEQNTROEAI-ZDUSSCGKSA-N -1 1 372.495 0.779 10 0 FCAEMM CCS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2nn[n-]n2)CC(C)C)C1 ZINC001643820030 1290918263 /nfs/dbraw/zinc/91/82/63/1290918263.db2.gz BRLLYDJKBSZPJX-LBPRGKRZSA-N -1 1 358.468 0.246 10 0 FCAEMM CC(C)(CNS(N)(=O)=O)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001643903778 1290925653 /nfs/dbraw/zinc/92/56/53/1290925653.db2.gz ULVJKNGAHBOSSR-UHFFFAOYSA-N -1 1 355.338 0.713 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(N2CCCC2)n1 ZINC001644156182 1290944919 /nfs/dbraw/zinc/94/49/19/1290944919.db2.gz GMVAPEJJDGPFMS-UHFFFAOYSA-N -1 1 356.386 0.575 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)S3)o1 ZINC001645856263 1291045712 /nfs/dbraw/zinc/04/57/12/1291045712.db2.gz UBXVEKXMTJIWPE-PBINXNQUSA-N -1 1 373.456 0.200 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC(=O)N1CCCCc2ccccc21 ZINC001646007104 1291053544 /nfs/dbraw/zinc/05/35/44/1291053544.db2.gz CTHRQPGVQFKEFS-UHFFFAOYSA-N -1 1 370.409 0.412 10 0 FCAEMM Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)NN1CC(=O)[N-]C1=O ZINC001648445602 1291121016 /nfs/dbraw/zinc/12/10/16/1291121016.db2.gz VRLSZDMVHUUDLE-UHFFFAOYSA-N -1 1 366.378 0.283 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001650749312 1291177898 /nfs/dbraw/zinc/17/78/98/1291177898.db2.gz UGGVPTZEGTWPQE-UHFFFAOYSA-N -1 1 356.382 0.821 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001650748181 1291177989 /nfs/dbraw/zinc/17/79/89/1291177989.db2.gz FMXRATIMJHKCKU-GMXVVIOVSA-N -1 1 360.414 0.566 10 0 FCAEMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857876 1291181624 /nfs/dbraw/zinc/18/16/24/1291181624.db2.gz KXJOFJILMRQMJO-BXKDBHETSA-N -1 1 374.405 0.731 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688962 1291232936 /nfs/dbraw/zinc/23/29/36/1291232936.db2.gz SGTMJMWOXOIKFC-NSHDSACASA-N -1 1 374.401 0.878 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688962 1291232942 /nfs/dbraw/zinc/23/29/42/1291232942.db2.gz SGTMJMWOXOIKFC-NSHDSACASA-N -1 1 374.401 0.878 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688962 1291232950 /nfs/dbraw/zinc/23/29/50/1291232950.db2.gz SGTMJMWOXOIKFC-NSHDSACASA-N -1 1 374.401 0.878 10 0 FCAEMM COC[C@@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1nn[n-]n1 ZINC001651846873 1291243741 /nfs/dbraw/zinc/24/37/41/1291243741.db2.gz PSXLABACUXGJPY-IRCOFANPSA-N -1 1 366.422 0.506 10 0 FCAEMM Cc1cc(=O)[nH]c(N2CC[C@@H](NC(=O)c3ccc4n[n-]c(=S)n4c3)C2)n1 ZINC001651886304 1291246743 /nfs/dbraw/zinc/24/67/43/1291246743.db2.gz JNOFBLPJGYPAJK-LLVKDONJSA-N -1 1 371.426 0.831 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)Cn2nc3c(OC)cccn3c2=O)cc1 ZINC001652048467 1291256674 /nfs/dbraw/zinc/25/66/74/1291256674.db2.gz PXFKXQSPCGNXOB-UHFFFAOYSA-N -1 1 356.338 0.470 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[n-]c1=O ZINC001652476723 1291279476 /nfs/dbraw/zinc/27/94/76/1291279476.db2.gz LAIDPKLEEFFZCM-AWEZNQCLSA-N -1 1 358.420 0.014 10 0 FCAEMM CCc1noc([C@H]2CC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001653186502 1291325714 /nfs/dbraw/zinc/32/57/14/1291325714.db2.gz QIKLTOIMGJHPBB-WDEREUQCSA-N -1 1 359.386 0.915 10 0 FCAEMM O=C([N-]CCCN1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1)C(F)(F)F ZINC001665161270 1291842406 /nfs/dbraw/zinc/84/24/06/1291842406.db2.gz HRUBUBZJRLPECT-DOMZBBRYSA-N -1 1 363.380 0.815 10 0 FCAEMM CCOCCO[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456368 1292177337 /nfs/dbraw/zinc/17/73/37/1292177337.db2.gz FRMGDXWJBSODMV-LBPRGKRZSA-N -1 1 366.418 0.592 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CCC(CO)CC1 ZINC001675456961 1292177710 /nfs/dbraw/zinc/17/77/10/1292177710.db2.gz WRNHEPRIIASOJS-UHFFFAOYSA-N -1 1 350.419 0.947 10 0 FCAEMM Cc1n[nH]c(C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1[O-] ZINC001679363811 1292302023 /nfs/dbraw/zinc/30/20/23/1292302023.db2.gz OLUSLQVHFKCEJJ-YUSALJHKSA-N -1 1 360.418 0.965 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001684869794 1292347543 /nfs/dbraw/zinc/34/75/43/1292347543.db2.gz SXQAPUUKPJLPPE-STQMWFEESA-N -1 1 361.402 0.208 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NCc1nnc2n1CCNC2=O ZINC001684896922 1292356652 /nfs/dbraw/zinc/35/66/52/1292356652.db2.gz DQMPDYRWVIWPEE-UHFFFAOYSA-N -1 1 366.328 0.047 10 0 FCAEMM CC(C)[C@H](F)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001685310324 1292493458 /nfs/dbraw/zinc/49/34/58/1292493458.db2.gz DTGDZTCFMNJHQR-DYEKYZERSA-N -1 1 368.409 0.026 10 0 FCAEMM CCC(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001685964419 1292709174 /nfs/dbraw/zinc/70/91/74/1292709174.db2.gz CCCKOYTUIFRLPM-DYEKYZERSA-N -1 1 372.429 0.716 10 0 FCAEMM Cn1ncc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])n1 ZINC001686099844 1292767406 /nfs/dbraw/zinc/76/74/06/1292767406.db2.gz OPEGTFFYJAPJKU-RDBSUJKOSA-N -1 1 370.413 0.410 10 0 FCAEMM NC(=O)Cc1ccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001686662714 1292945823 /nfs/dbraw/zinc/94/58/23/1292945823.db2.gz ASLGGTXOTRXVQM-UHFFFAOYSA-N -1 1 371.397 0.282 10 0 FCAEMM CCOC(=O)[C@@]([N-]S(=O)(=O)c1cnnn1C)(C1CCC1)C(F)(F)F ZINC000823207106 836512408 /nfs/dbraw/zinc/51/24/08/836512408.db2.gz HDWWFQKZVRDPPD-NSHDSACASA-N -1 1 370.353 0.758 10 0 FCAEMM CCOC(=O)[C@]([N-]S(=O)(=O)c1cnnn1C)(C1CCC1)C(F)(F)F ZINC000823207105 836512809 /nfs/dbraw/zinc/51/28/09/836512809.db2.gz HDWWFQKZVRDPPD-LLVKDONJSA-N -1 1 370.353 0.758 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(N3CCNC3=O)ccc2F)n1 ZINC001116106654 846609691 /nfs/dbraw/zinc/60/96/91/846609691.db2.gz PGWNXMGKZQHBSF-UHFFFAOYSA-N -1 1 368.350 0.129 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(N3CCNC3=O)ccc2F)[n-]1 ZINC001116106654 846609699 /nfs/dbraw/zinc/60/96/99/846609699.db2.gz PGWNXMGKZQHBSF-UHFFFAOYSA-N -1 1 368.350 0.129 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC001116685176 846736513 /nfs/dbraw/zinc/73/65/13/846736513.db2.gz WRQJRKGZLHXZAO-UHFFFAOYSA-N -1 1 367.427 0.352 10 0 FCAEMM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001118177483 847312064 /nfs/dbraw/zinc/31/20/64/847312064.db2.gz SXTKDNZVGXGFPV-UHIISALHSA-N -1 1 369.443 0.704 10 0 FCAEMM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001118177477 847312395 /nfs/dbraw/zinc/31/23/95/847312395.db2.gz SXTKDNZVGXGFPV-JTNHKYCSSA-N -1 1 369.443 0.704 10 0 FCAEMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC001119649724 847923410 /nfs/dbraw/zinc/92/34/10/847923410.db2.gz XNWYLBGPLMHFTE-CABCVRRESA-N -1 1 354.447 0.875 10 0 FCAEMM O=C([O-])CN(C(=O)N[C@@H]1CCCN2CCSC[C@H]12)C1CCOCC1 ZINC001119715387 847950635 /nfs/dbraw/zinc/95/06/35/847950635.db2.gz UEUUARWUIGBWAK-ZIAGYGMSSA-N -1 1 357.476 0.841 10 0 FCAEMM CSc1ncc(C(=O)NCCNS(=O)(=O)c2cccnc2)c(=O)[n-]1 ZINC001137687168 849278215 /nfs/dbraw/zinc/27/82/15/849278215.db2.gz QTIACPAMTBTLJY-UHFFFAOYSA-N -1 1 369.428 0.007 10 0 FCAEMM NS(=O)(=O)c1cc(NC(=O)Cc2n[nH]c3c2CCCC3)ccc1[O-] ZINC001137940578 849292253 /nfs/dbraw/zinc/29/22/53/849292253.db2.gz DEGAJCPLSCKNSC-UHFFFAOYSA-N -1 1 350.400 0.823 10 0 FCAEMM CO[C@@]1(C(=O)Nc2nc(Br)ccc2[O-])CCS(=O)(=O)C1 ZINC001138325912 849307566 /nfs/dbraw/zinc/30/75/66/849307566.db2.gz MPGRJVQYQXNWNA-NSHDSACASA-N -1 1 365.205 0.692 10 0 FCAEMM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)[N-]OCCO ZINC001138490179 849312553 /nfs/dbraw/zinc/31/25/53/849312553.db2.gz GUZLNZJLMHFITK-UTINFBMNSA-N -1 1 350.293 0.012 10 0 FCAEMM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)[N-]OCCO ZINC001138490178 849312695 /nfs/dbraw/zinc/31/26/95/849312695.db2.gz GUZLNZJLMHFITK-RGOKHQFPSA-N -1 1 350.293 0.012 10 0 FCAEMM CC(C)OCCCNC(=O)C1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001143807212 849500728 /nfs/dbraw/zinc/50/07/28/849500728.db2.gz PHVVQNURKFMJFN-UHFFFAOYSA-N -1 1 352.439 0.302 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CCC(=O)NC2CCCC2)n[n-]1 ZINC001146854982 849568786 /nfs/dbraw/zinc/56/87/86/849568786.db2.gz JDMBMNOMEREEIR-JTQLQIEISA-N -1 1 351.407 0.998 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCC(=O)NC2CCCC2)[n-]1 ZINC001146854982 849568791 /nfs/dbraw/zinc/56/87/91/849568791.db2.gz JDMBMNOMEREEIR-JTQLQIEISA-N -1 1 351.407 0.998 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCC(=O)NC2CCCC2)n1 ZINC001146854982 849568797 /nfs/dbraw/zinc/56/87/97/849568797.db2.gz JDMBMNOMEREEIR-JTQLQIEISA-N -1 1 351.407 0.998 10 0 FCAEMM COc1cc(CNC(=O)CCc2nn[n-]n2)c(Br)cc1O ZINC001165217113 850430209 /nfs/dbraw/zinc/43/02/09/850430209.db2.gz LZWPYGXINCQJTH-UHFFFAOYSA-N -1 1 356.180 0.925 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(Br)nnn2C)n[n-]1 ZINC001166125567 850462327 /nfs/dbraw/zinc/46/23/27/850462327.db2.gz AEIMFCGBONLMQQ-RXMQYKEDSA-N -1 1 372.183 0.363 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(Br)nnn2C)[n-]1 ZINC001166125567 850462332 /nfs/dbraw/zinc/46/23/32/850462332.db2.gz AEIMFCGBONLMQQ-RXMQYKEDSA-N -1 1 372.183 0.363 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(Br)nnn2C)n1 ZINC001166125567 850462335 /nfs/dbraw/zinc/46/23/35/850462335.db2.gz AEIMFCGBONLMQQ-RXMQYKEDSA-N -1 1 372.183 0.363 10 0 FCAEMM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001167728980 850553809 /nfs/dbraw/zinc/55/38/09/850553809.db2.gz XMXBATRCRRIKKD-UHFFFAOYSA-N -1 1 362.411 0.465 10 0 FCAEMM C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCS1 ZINC001179761917 850998533 /nfs/dbraw/zinc/99/85/33/850998533.db2.gz DCNIAJXXQPXXQX-BDAKNGLRSA-N -1 1 361.445 0.057 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)n1 ZINC001182523702 851177799 /nfs/dbraw/zinc/17/77/99/851177799.db2.gz CBGMELKCJDJDMI-SNVBAGLBSA-N -1 1 358.420 0.513 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)[n-]1 ZINC001182523702 851177805 /nfs/dbraw/zinc/17/78/05/851177805.db2.gz CBGMELKCJDJDMI-SNVBAGLBSA-N -1 1 358.420 0.513 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001212440521 854479210 /nfs/dbraw/zinc/47/92/10/854479210.db2.gz XBJFTPPXRRKSPQ-GXSJLCMTSA-N -1 1 351.327 0.582 10 0 FCAEMM CSC[C@@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001279181408 862711442 /nfs/dbraw/zinc/71/14/42/862711442.db2.gz TWBNVGXQXBGDBW-AEJSXWLSSA-N -1 1 352.420 0.069 10 0 FCAEMM COC(=O)[C@]1(C)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001235547599 857427690 /nfs/dbraw/zinc/42/76/90/857427690.db2.gz WMEYRWOHYAXWEH-MRXNPFEDSA-N -1 1 350.375 0.350 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001254943635 857992938 /nfs/dbraw/zinc/99/29/38/857992938.db2.gz KSIKPINYHIOMTD-LLVKDONJSA-N -1 1 362.835 0.737 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC001255249500 858002912 /nfs/dbraw/zinc/00/29/12/858002912.db2.gz HABJSGFTVQBYGL-UHFFFAOYSA-N -1 1 353.400 0.750 10 0 FCAEMM CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001261779516 858664049 /nfs/dbraw/zinc/66/40/49/858664049.db2.gz OUQNZKXUXRORCD-LLVKDONJSA-N -1 1 369.447 0.906 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)CCN1C(=O)c1ncccc1[O-] ZINC001282265169 864151571 /nfs/dbraw/zinc/15/15/71/864151571.db2.gz LFFOWKBWCNSSTO-SDDRHHMPSA-N -1 1 369.443 0.330 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)CCc3nnc(C(F)F)o3)nc2n1 ZINC001287285840 864712479 /nfs/dbraw/zinc/71/24/79/864712479.db2.gz KIHQSNTYICLSSH-UHFFFAOYSA-N -1 1 353.289 0.872 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@H](C)CSC ZINC001289457767 865075729 /nfs/dbraw/zinc/07/57/29/865075729.db2.gz XUIYNMQTSHTCNN-NQBHXWOUSA-N -1 1 353.444 0.742 10 0 FCAEMM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC)C(C)C ZINC001289538621 865125961 /nfs/dbraw/zinc/12/59/61/865125961.db2.gz MBINKJIUZISOQC-KYOSRNDESA-N -1 1 351.403 0.414 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CSC[C@H]1C(=O)N1CCCC1 ZINC001290400065 865404202 /nfs/dbraw/zinc/40/42/02/865404202.db2.gz IQXGYWBXNGLOKC-NSHDSACASA-N -1 1 364.427 0.041 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001290860470 865532325 /nfs/dbraw/zinc/53/23/25/865532325.db2.gz BJDTZCAFVKXUPG-GFCCVEGCSA-N -1 1 354.428 0.915 10 0 FCAEMM Nc1ccc(Br)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001292976588 865767568 /nfs/dbraw/zinc/76/75/68/865767568.db2.gz UXJPZQVOHUKSCP-SNVBAGLBSA-N -1 1 353.180 0.758 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC001294790715 865856800 /nfs/dbraw/zinc/85/68/00/865856800.db2.gz MUVZMDVGOGWPTQ-QMMMGPOBSA-N -1 1 360.201 0.995 10 0 FCAEMM COc1cccn2ncc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])c12 ZINC001295509507 865903603 /nfs/dbraw/zinc/90/36/03/865903603.db2.gz PWUYWMLJISOWBO-UHFFFAOYSA-N -1 1 362.367 0.948 10 0 FCAEMM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cnncc3[O-])CC2)cs1 ZINC001297393705 866029018 /nfs/dbraw/zinc/02/90/18/866029018.db2.gz BQMYRWFVELYSIV-UHFFFAOYSA-N -1 1 369.428 0.094 10 0 FCAEMM Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CCc1nn[n-]n1 ZINC001297561938 866040874 /nfs/dbraw/zinc/04/08/74/866040874.db2.gz KUTOMZIMJUUWRL-UHFFFAOYSA-N -1 1 372.838 0.189 10 0 FCAEMM CSc1ncc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(=O)[n-]1 ZINC001297721464 866052360 /nfs/dbraw/zinc/05/23/60/866052360.db2.gz DJIFJJYQKVVNPZ-AYVTZFPOSA-N -1 1 365.415 0.497 10 0 FCAEMM COCCOc1ccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)nn1 ZINC001298693505 866128068 /nfs/dbraw/zinc/12/80/68/866128068.db2.gz PBAIDTCLSYFKOL-UHFFFAOYSA-N -1 1 351.388 0.525 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300818938 866237496 /nfs/dbraw/zinc/23/74/96/866237496.db2.gz BBEMEMRNJJDNAM-CYBMUJFWSA-N -1 1 364.431 0.565 10 0 FCAEMM Cn1ncc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)c1Br ZINC001350427886 866592676 /nfs/dbraw/zinc/59/26/76/866592676.db2.gz DPEKCRZJEXFQNQ-MRVPVSSYSA-N -1 1 354.212 0.791 10 0 FCAEMM CCN1CCO[C@H](C(=O)NC2(c3ncc(OC)c(=O)[n-]3)CCCC2)C1 ZINC001350772170 866685699 /nfs/dbraw/zinc/68/56/99/866685699.db2.gz CRUFJFQOKJLXBP-ZDUSSCGKSA-N -1 1 350.419 0.797 10 0 FCAEMM CC(=O)CCN(C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001320289549 868134556 /nfs/dbraw/zinc/13/45/56/868134556.db2.gz HXJOOPSMRAPXMR-UHFFFAOYSA-N -1 1 350.419 0.697 10 0 FCAEMM NC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC001320435123 868166324 /nfs/dbraw/zinc/16/63/24/868166324.db2.gz UKBOVTULRZUQPV-ZDUSSCGKSA-N -1 1 355.416 0.003 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001320931975 868323140 /nfs/dbraw/zinc/32/31/40/868323140.db2.gz BUIUFMSYIMBUQM-IUCAKERBSA-N -1 1 370.431 0.399 10 0 FCAEMM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001321024610 868346131 /nfs/dbraw/zinc/34/61/31/868346131.db2.gz MNJFYGANQASMEA-VIFPVBQESA-N -1 1 366.465 0.388 10 0 FCAEMM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001321024610 868346135 /nfs/dbraw/zinc/34/61/35/868346135.db2.gz MNJFYGANQASMEA-VIFPVBQESA-N -1 1 366.465 0.388 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC001325293795 869843175 /nfs/dbraw/zinc/84/31/75/869843175.db2.gz LPOFFSJDXGKBTL-UHFFFAOYSA-N -1 1 360.342 0.624 10 0 FCAEMM CCN1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001327683346 871011541 /nfs/dbraw/zinc/01/15/41/871011541.db2.gz VGLXRWXMYASVOU-HZSPNIEDSA-N -1 1 353.463 0.792 10 0 FCAEMM CCN1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001327683348 871012098 /nfs/dbraw/zinc/01/20/98/871012098.db2.gz VGLXRWXMYASVOU-MELADBBJSA-N -1 1 353.463 0.792 10 0 FCAEMM FC1(F)[C@H]2CN(c3nnc(-c4nnn[n-]4)n3C[C@@H]3CCCCO3)C[C@H]21 ZINC001345486165 871373995 /nfs/dbraw/zinc/37/39/95/871373995.db2.gz SEZOANUNWXDSTQ-LPEHRKFASA-N -1 1 352.349 0.729 10 0 FCAEMM FC1(F)[C@H]2CN(c3nnc(-c4nn[n-]n4)n3C[C@@H]3CCCCO3)C[C@H]21 ZINC001345486165 871374013 /nfs/dbraw/zinc/37/40/13/871374013.db2.gz SEZOANUNWXDSTQ-LPEHRKFASA-N -1 1 352.349 0.729 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2CCO[C@@]3(CCSC3)C2)n1CC1CC1 ZINC001346851565 872033004 /nfs/dbraw/zinc/03/30/04/872033004.db2.gz UONIJIDJLJSFLW-HNNXBMFYSA-N -1 1 362.463 0.504 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2CCO[C@@]3(CCSC3)C2)n1CC1CC1 ZINC001346851565 872033018 /nfs/dbraw/zinc/03/30/18/872033018.db2.gz UONIJIDJLJSFLW-HNNXBMFYSA-N -1 1 362.463 0.504 10 0 FCAEMM Cn1ncc(Br)c1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001347660955 872439233 /nfs/dbraw/zinc/43/92/33/872439233.db2.gz MMAQSLDKGUJJQS-QMMMGPOBSA-N -1 1 354.212 0.791 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1CCO[C@H](CC)C1 ZINC001348165365 872614607 /nfs/dbraw/zinc/61/46/07/872614607.db2.gz KYOWXWDFHIQMJU-RBSFLKMASA-N -1 1 350.467 0.870 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])cn2)CC1 ZINC001330606638 872730020 /nfs/dbraw/zinc/73/00/20/872730020.db2.gz RCKVCBKQNZIOGN-KRWDZBQOSA-N -1 1 350.419 0.329 10 0 FCAEMM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001331137655 872978201 /nfs/dbraw/zinc/97/82/01/872978201.db2.gz XFGWKIZOJJMKKS-CHWSQXEVSA-N -1 1 353.467 0.355 10 0 FCAEMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](OC)C(=O)[O-] ZINC001333138689 873818728 /nfs/dbraw/zinc/81/87/28/873818728.db2.gz VWKCNCMJYCKMEV-OAHLLOKOSA-N -1 1 351.403 0.875 10 0 FCAEMM O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293816494 214203167 /nfs/dbraw/zinc/20/31/67/214203167.db2.gz CXCMEHSIOLTDQI-GFCCVEGCSA-N -1 1 361.377 0.302 10 0 FCAEMM COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000293840171 214205013 /nfs/dbraw/zinc/20/50/13/214205013.db2.gz WHUMVTFATJGIPQ-LLVKDONJSA-N -1 1 371.415 0.253 10 0 FCAEMM O=c1nc(C2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)[nH][n-]1 ZINC000294610967 214256218 /nfs/dbraw/zinc/25/62/18/214256218.db2.gz OCNATCZEXDOTIU-UHFFFAOYSA-N -1 1 357.823 0.856 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264966511 210028177 /nfs/dbraw/zinc/02/81/77/210028177.db2.gz XYYFRBIXIUUXEI-SSDOTTSWSA-N -1 1 374.772 0.823 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c1 ZINC000360075488 215352952 /nfs/dbraw/zinc/35/29/52/215352952.db2.gz MMUJTCQASGKKTG-UHFFFAOYSA-N -1 1 351.380 0.874 10 0 FCAEMM CS(=O)(=O)NCC1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000285451054 213343311 /nfs/dbraw/zinc/34/33/11/213343311.db2.gz MFIVHWTUXGIXEX-UHFFFAOYSA-N -1 1 355.460 0.496 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)co1 ZINC000366739464 216025655 /nfs/dbraw/zinc/02/56/55/216025655.db2.gz OPMCNYRMBXUMPF-JHJVBQTASA-N -1 1 358.416 0.596 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)o1 ZINC000366747588 216026082 /nfs/dbraw/zinc/02/60/82/216026082.db2.gz JNLAWTFLDJSHDN-MQIPJXDCSA-N -1 1 372.443 0.986 10 0 FCAEMM CN1CCN([C@H]2CCCCN(S(=O)(=O)[N-]CC(F)(F)F)C2)CC1 ZINC000195442698 209336167 /nfs/dbraw/zinc/33/61/67/209336167.db2.gz IVGUWVXKTZEAPQ-LBPRGKRZSA-N -1 1 358.430 0.485 10 0 FCAEMM C[C@H](CN(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1nn[n-]n1 ZINC000368524034 216258035 /nfs/dbraw/zinc/25/80/35/216258035.db2.gz JFWSDAHMVXMVBG-LLVKDONJSA-N -1 1 363.422 0.359 10 0 FCAEMM O=C(N[C@@H]1CCCc2c1cnn2CCO)c1nc2ccccc2c(=O)[n-]1 ZINC000368759163 216293631 /nfs/dbraw/zinc/29/36/31/216293631.db2.gz UAQSODHLDIUWDA-CQSZACIVSA-N -1 1 353.382 0.919 10 0 FCAEMM CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)co1 ZINC000368814861 216299802 /nfs/dbraw/zinc/29/98/02/216299802.db2.gz XCRGWYQNFMLTKF-CYBMUJFWSA-N -1 1 361.383 0.825 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)N3CCC[C@@H]3C)CC2)n1 ZINC000368941308 216320725 /nfs/dbraw/zinc/32/07/25/216320725.db2.gz ZSMSIVOIUKBIOA-NSHDSACASA-N -1 1 371.463 0.890 10 0 FCAEMM CC(=O)NC1CN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000190611862 209274835 /nfs/dbraw/zinc/27/48/35/209274835.db2.gz SGYWCTSKFAGOHG-UHFFFAOYSA-N -1 1 360.151 0.957 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)n1 ZINC000369338389 216385728 /nfs/dbraw/zinc/38/57/28/216385728.db2.gz IGIFASNLRBVCRM-ZYHUDNBSSA-N -1 1 372.447 0.668 10 0 FCAEMM CN(CC(=O)N1CCOCC1)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000277676685 212387909 /nfs/dbraw/zinc/38/79/09/212387909.db2.gz LCAYBWBERICZRN-UHFFFAOYSA-N -1 1 366.443 0.469 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)o1 ZINC000373372883 217013084 /nfs/dbraw/zinc/01/30/84/217013084.db2.gz LBGGBNOVQJQZST-UHFFFAOYSA-N -1 1 354.359 0.670 10 0 FCAEMM O=C([O-])C[NH+]1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000275350002 212011760 /nfs/dbraw/zinc/01/17/60/212011760.db2.gz WGDXCFNLPORMGJ-UHFFFAOYSA-N -1 1 352.334 0.931 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000374638530 217151824 /nfs/dbraw/zinc/15/18/24/217151824.db2.gz RIRPLWQJHJRZQD-WDEREUQCSA-N -1 1 363.867 0.920 10 0 FCAEMM NC(=O)c1cn(C2CN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)C2)nn1 ZINC000374934566 217192775 /nfs/dbraw/zinc/19/27/75/217192775.db2.gz YDLUSBLFJALEIE-UHFFFAOYSA-N -1 1 372.772 0.981 10 0 FCAEMM Cc1nnc([C@H]2CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO2)[nH]1 ZINC000183662831 209149711 /nfs/dbraw/zinc/14/97/11/209149711.db2.gz WSXXOSFSFICCCD-ZJUUUORDSA-N -1 1 363.340 0.716 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)c1Cl ZINC000183174403 209142444 /nfs/dbraw/zinc/14/24/44/209142444.db2.gz VGJWOJQSUPOTOA-LLVKDONJSA-N -1 1 369.834 0.942 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000375392729 217258648 /nfs/dbraw/zinc/25/86/48/217258648.db2.gz ORZAQUKAVYDJBH-MNOVXSKESA-N -1 1 374.415 0.370 10 0 FCAEMM COC(=O)CC1(NC(=O)c2cc(F)ccc2[O-])CCS(=O)(=O)CC1 ZINC000440146870 248159489 /nfs/dbraw/zinc/15/94/89/248159489.db2.gz QGTHCQGXDNHQPN-UHFFFAOYSA-N -1 1 359.375 0.772 10 0 FCAEMM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000452546948 249321245 /nfs/dbraw/zinc/32/12/45/249321245.db2.gz RGOKLTQNEMAWFP-JTQLQIEISA-N -1 1 352.416 0.701 10 0 FCAEMM CC[C@@H](CNS(C)(=O)=O)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000452546948 249321249 /nfs/dbraw/zinc/32/12/49/249321249.db2.gz RGOKLTQNEMAWFP-JTQLQIEISA-N -1 1 352.416 0.701 10 0 FCAEMM COC(=O)C1CCC([N-]S(=O)(=O)Cc2cc(C)on2)(C(=O)OC)CC1 ZINC000271266547 211368278 /nfs/dbraw/zinc/36/82/78/211368278.db2.gz NOAIDZWYFJLLPN-UHFFFAOYSA-N -1 1 374.415 0.677 10 0 FCAEMM Cn1cc(C[C@@H](O)C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC000469818712 250005330 /nfs/dbraw/zinc/00/53/30/250005330.db2.gz ILLJLCYECMEGAW-CYBMUJFWSA-N -1 1 356.379 0.473 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCSC1 ZINC000270190238 211165372 /nfs/dbraw/zinc/16/53/72/211165372.db2.gz AECNJBGIBIOUDU-NSHDSACASA-N -1 1 353.853 0.709 10 0 FCAEMM CC(C)[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)c2ccccc2C1=O ZINC000470976771 250082700 /nfs/dbraw/zinc/08/27/00/250082700.db2.gz UFAUTLBTTXVGQJ-LBPRGKRZSA-N -1 1 354.370 0.626 10 0 FCAEMM CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000470988151 250085033 /nfs/dbraw/zinc/08/50/33/250085033.db2.gz CNWUXFMXCRSRLT-UHFFFAOYSA-N -1 1 361.406 0.196 10 0 FCAEMM CCOCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472637952 250168992 /nfs/dbraw/zinc/16/89/92/250168992.db2.gz JNWRKICKAJSGFE-AWEZNQCLSA-N -1 1 361.416 0.874 10 0 FCAEMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000473140924 250204009 /nfs/dbraw/zinc/20/40/09/250204009.db2.gz DHUYQXNAQBTNFH-ONGXEEELSA-N -1 1 366.399 0.968 10 0 FCAEMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000473140924 250204012 /nfs/dbraw/zinc/20/40/12/250204012.db2.gz DHUYQXNAQBTNFH-ONGXEEELSA-N -1 1 366.399 0.968 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)CCn2nnc3ccccc3c2=O)[nH]n1 ZINC000119894623 208369724 /nfs/dbraw/zinc/36/97/24/208369724.db2.gz RLSMDFKCAVWXEX-UHFFFAOYSA-N -1 1 364.369 0.944 10 0 FCAEMM CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)[C@@H]2C1 ZINC000120223687 208377490 /nfs/dbraw/zinc/37/74/90/208377490.db2.gz RILZCMRXIHESRD-BMFZPTHFSA-N -1 1 374.441 0.977 10 0 FCAEMM CO[C@@H]1CC[C@H]2OCCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)[C@H]2C1 ZINC000120223510 208377684 /nfs/dbraw/zinc/37/76/84/208377684.db2.gz RILZCMRXIHESRD-VNQPRFMTSA-N -1 1 374.441 0.977 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178682903 209057330 /nfs/dbraw/zinc/05/73/30/209057330.db2.gz FAUKHWZOUWQFQJ-BEFAXECRSA-N -1 1 352.394 0.956 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C)c(Br)n1C ZINC000287431147 488868814 /nfs/dbraw/zinc/86/88/14/488868814.db2.gz PZRIPXYQIPVCBA-POYBYMJQSA-N -1 1 365.253 0.436 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)co1 ZINC000278404683 488873138 /nfs/dbraw/zinc/87/31/38/488873138.db2.gz RARXUFUAAZRLLA-JTQLQIEISA-N -1 1 366.321 0.955 10 0 FCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000328657596 488927426 /nfs/dbraw/zinc/92/74/26/488927426.db2.gz PIZHYGGRLHLVQJ-UHFFFAOYSA-N -1 1 367.406 0.783 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000025376227 487664404 /nfs/dbraw/zinc/66/44/04/487664404.db2.gz KRBMGKVFUDSOEM-DTWKUNHWSA-N -1 1 369.365 0.483 10 0 FCAEMM Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000288269925 488963372 /nfs/dbraw/zinc/96/33/72/488963372.db2.gz GEHCHXVSWLHCDN-VUZLNAKASA-N -1 1 367.413 0.768 10 0 FCAEMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000074273266 488389567 /nfs/dbraw/zinc/38/95/67/488389567.db2.gz NBBIDWAWMFWNEN-LBPRGKRZSA-N -1 1 369.425 0.760 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1(O)CCCC1 ZINC000271651764 488535488 /nfs/dbraw/zinc/53/54/88/488535488.db2.gz ZPVQKWGMAQEJKV-UHFFFAOYSA-N -1 1 370.427 0.657 10 0 FCAEMM O=C(NC[C@H](O)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000154115069 488738616 /nfs/dbraw/zinc/73/86/16/488738616.db2.gz VETRANPEBZFIHQ-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])ccc1C ZINC000274870871 488739444 /nfs/dbraw/zinc/73/94/44/488739444.db2.gz AMSSNFARJNGMBP-CYBMUJFWSA-N -1 1 367.383 0.479 10 0 FCAEMM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000155946819 488760950 /nfs/dbraw/zinc/76/09/50/488760950.db2.gz HBRYVQVVDXOEJI-SNVBAGLBSA-N -1 1 353.404 0.607 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)co1 ZINC000277809082 488789335 /nfs/dbraw/zinc/78/93/35/488789335.db2.gz GXMJYLAWEDLTOE-KWQFWETISA-N -1 1 370.349 0.963 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2-n2ccnc2)co1 ZINC000162711565 488804482 /nfs/dbraw/zinc/80/44/82/488804482.db2.gz PTKGMJAYOHUDHH-UHFFFAOYSA-N -1 1 361.383 0.698 10 0 FCAEMM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cn1 ZINC000173418254 488842545 /nfs/dbraw/zinc/84/25/45/488842545.db2.gz ZEAOSUIKWIXRJH-JTQLQIEISA-N -1 1 358.855 0.754 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329382645 488999160 /nfs/dbraw/zinc/99/91/60/488999160.db2.gz OMDHEJXUSKMVDX-NWDGAFQWSA-N -1 1 354.432 0.626 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329382646 488999232 /nfs/dbraw/zinc/99/92/32/488999232.db2.gz OMDHEJXUSKMVDX-RYUDHWBXSA-N -1 1 354.432 0.626 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C[C@H]2C)c1C ZINC000629643915 492661476 /nfs/dbraw/zinc/66/14/76/492661476.db2.gz OSJCGOAPLMUQAJ-BXKDBHETSA-N -1 1 364.493 0.876 10 0 FCAEMM CC(C)Cc1nnc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)s1 ZINC000289565143 489077389 /nfs/dbraw/zinc/07/73/89/489077389.db2.gz YCWWVJDIZPZKIU-SNVBAGLBSA-N -1 1 365.463 0.966 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000365998638 489133516 /nfs/dbraw/zinc/13/35/16/489133516.db2.gz ZWLDVSAWASEFDW-KOLCDFICSA-N -1 1 356.402 0.967 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCN1CCO ZINC000331176404 489181847 /nfs/dbraw/zinc/18/18/47/489181847.db2.gz QDZUQSQYNUFLNF-GFCCVEGCSA-N -1 1 373.475 0.495 10 0 FCAEMM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)nn1 ZINC000282908516 489198677 /nfs/dbraw/zinc/19/86/77/489198677.db2.gz MNALTVUDPIXVFW-SNVBAGLBSA-N -1 1 361.406 0.325 10 0 FCAEMM C[C@]1(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)Cc2ccccc2C(=O)O1 ZINC000282976873 489203349 /nfs/dbraw/zinc/20/33/49/489203349.db2.gz SRBQRKCLMWYIHZ-KPZWWZAWSA-N -1 1 356.382 0.976 10 0 FCAEMM O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283029800 489207739 /nfs/dbraw/zinc/20/77/39/489207739.db2.gz YJYSTYUTNSTBNK-NSHDSACASA-N -1 1 373.438 0.943 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)o1 ZINC000283517185 489269039 /nfs/dbraw/zinc/26/90/39/489269039.db2.gz FNNPRDLTNKERPU-SMDDNHRTSA-N -1 1 372.443 0.485 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCCCO1)[N-]c1ccccn1 ZINC000349464552 489291886 /nfs/dbraw/zinc/29/18/86/489291886.db2.gz KCUBADFONOKWSI-UHFFFAOYSA-N -1 1 363.461 0.961 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)c1C ZINC000349476030 489294544 /nfs/dbraw/zinc/29/45/44/489294544.db2.gz GJDDRHGKPNDCGL-JOYOIKCWSA-N -1 1 364.493 0.828 10 0 FCAEMM O=C(COCC1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298479551 489330034 /nfs/dbraw/zinc/33/00/34/489330034.db2.gz GEIREGDUUNZWPB-UHFFFAOYSA-N -1 1 370.427 0.778 10 0 FCAEMM CS(=O)(=O)CCS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000370469070 489363805 /nfs/dbraw/zinc/36/38/05/489363805.db2.gz LUCWPSYWEARADY-UHFFFAOYSA-N -1 1 363.392 0.340 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000363373416 489459454 /nfs/dbraw/zinc/45/94/54/489459454.db2.gz OYSUXPIKVKEMFS-ZDUSSCGKSA-N -1 1 370.409 0.634 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000451626276 489512589 /nfs/dbraw/zinc/51/25/89/489512589.db2.gz SJCBDVNTZFBJBB-VIFPVBQESA-N -1 1 357.413 0.415 10 0 FCAEMM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000451809038 489524990 /nfs/dbraw/zinc/52/49/90/489524990.db2.gz LEKQEPSMYHUBNT-UHFFFAOYSA-N -1 1 363.848 0.956 10 0 FCAEMM CCC1(CC)NC(=O)N(CC(=O)Nc2cc(-c3nccn3C)n[nH]2)C1=O ZINC000372085321 489543354 /nfs/dbraw/zinc/54/33/54/489543354.db2.gz GTLOEEBJMUZYLB-UHFFFAOYSA-N -1 1 359.390 0.859 10 0 FCAEMM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cc2o1 ZINC000416462849 489595923 /nfs/dbraw/zinc/59/59/23/489595923.db2.gz STFOLJORKAZHBS-VIFPVBQESA-N -1 1 358.269 0.852 10 0 FCAEMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000416551715 489609178 /nfs/dbraw/zinc/60/91/78/489609178.db2.gz SQJAROJHOSTRCS-UBHAPETDSA-N -1 1 362.473 0.717 10 0 FCAEMM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000563802792 491269645 /nfs/dbraw/zinc/26/96/45/491269645.db2.gz YIKFTFYJHFTOSE-SNVBAGLBSA-N -1 1 361.333 0.160 10 0 FCAEMM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000563802792 491269648 /nfs/dbraw/zinc/26/96/48/491269648.db2.gz YIKFTFYJHFTOSE-SNVBAGLBSA-N -1 1 361.333 0.160 10 0 FCAEMM COCC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CC1 ZINC000489157522 489697709 /nfs/dbraw/zinc/69/77/09/489697709.db2.gz XDXRLYROYCQAML-UHFFFAOYSA-N -1 1 370.427 0.778 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1nn[n-]n1 ZINC000376496768 489744394 /nfs/dbraw/zinc/74/43/94/489744394.db2.gz ZHTDLALKULDTNF-JQWIXIFHSA-N -1 1 352.464 0.853 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)[n-]1 ZINC000476036991 489864049 /nfs/dbraw/zinc/86/40/49/489864049.db2.gz ZJLZUIAAMNAQIR-UHFFFAOYSA-N -1 1 372.369 0.772 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)n[n-]1 ZINC000476036991 489864051 /nfs/dbraw/zinc/86/40/51/489864051.db2.gz ZJLZUIAAMNAQIR-UHFFFAOYSA-N -1 1 372.369 0.772 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000461089342 489895702 /nfs/dbraw/zinc/89/57/02/489895702.db2.gz XDKJBRUAKYXPNQ-SNVBAGLBSA-N -1 1 364.427 0.653 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000476535765 489897948 /nfs/dbraw/zinc/89/79/48/489897948.db2.gz PEFQELXDWOOFQA-UHIISALHSA-N -1 1 365.473 0.686 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000494805710 489914467 /nfs/dbraw/zinc/91/44/67/489914467.db2.gz WBTIRTULRWJYDB-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(S(N)(=O)=O)c2)sc1C ZINC000435207796 489988352 /nfs/dbraw/zinc/98/83/52/489988352.db2.gz NPNNQFIDFAUMOM-UHFFFAOYSA-N -1 1 361.470 0.886 10 0 FCAEMM Cn1cc([C@]2(C)CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CCO2)cn1 ZINC000378371548 490056773 /nfs/dbraw/zinc/05/67/73/490056773.db2.gz RURWWBOMOCETEO-KRWDZBQOSA-N -1 1 356.386 0.795 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000464892501 490072978 /nfs/dbraw/zinc/07/29/78/490072978.db2.gz LCQBDPHHJXPBMD-CMPLNLGQSA-N -1 1 364.427 0.371 10 0 FCAEMM O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793552 490116946 /nfs/dbraw/zinc/11/69/46/490116946.db2.gz CHCGUUKQVUCGDX-JTQLQIEISA-N -1 1 361.431 0.732 10 0 FCAEMM CN(Cc1nnnn1C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000466835864 490216213 /nfs/dbraw/zinc/21/62/13/490216213.db2.gz RCLLXLZYDPCFDK-UHFFFAOYSA-N -1 1 356.408 0.152 10 0 FCAEMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)no1 ZINC000508103045 490299249 /nfs/dbraw/zinc/29/92/49/490299249.db2.gz PKUHQDVLPBOTFA-UHFFFAOYSA-N -1 1 359.429 0.995 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnnn2-c2cccc(F)c2)n1 ZINC000448114674 490315350 /nfs/dbraw/zinc/31/53/50/490315350.db2.gz WNWSDMHJJFPGTD-UHFFFAOYSA-N -1 1 351.323 0.180 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnnn2-c2cccc(F)c2)[n-]1 ZINC000448114674 490315353 /nfs/dbraw/zinc/31/53/53/490315353.db2.gz WNWSDMHJJFPGTD-UHFFFAOYSA-N -1 1 351.323 0.180 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)c(F)c1 ZINC000547642937 490333721 /nfs/dbraw/zinc/33/37/21/490333721.db2.gz LZCKYWXFCFZTAP-LBPRGKRZSA-N -1 1 364.420 0.343 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000508545134 490337031 /nfs/dbraw/zinc/33/70/31/490337031.db2.gz IEIJQOFVCFGLJY-KOLCDFICSA-N -1 1 355.416 0.920 10 0 FCAEMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522854999 490413200 /nfs/dbraw/zinc/41/32/00/490413200.db2.gz IMFPUXPYLCXEHP-UHFFFAOYSA-N -1 1 361.406 0.340 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)o1 ZINC000548063264 490415206 /nfs/dbraw/zinc/41/52/06/490415206.db2.gz NXKHZWBGEZUJAY-JTQLQIEISA-N -1 1 365.415 0.580 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548208990 490440078 /nfs/dbraw/zinc/44/00/78/490440078.db2.gz FOIBUVQVNQBIRM-SFYZADRCSA-N -1 1 364.401 0.088 10 0 FCAEMM CC[C@@H](O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000450391541 490465616 /nfs/dbraw/zinc/46/56/16/490465616.db2.gz NGCIXVBDMLNLRU-LLVKDONJSA-N -1 1 358.416 0.513 10 0 FCAEMM CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000422772234 490474129 /nfs/dbraw/zinc/47/41/29/490474129.db2.gz SDRWWRMUHSFEDF-AWEZNQCLSA-N -1 1 353.463 0.890 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000548526868 490494968 /nfs/dbraw/zinc/49/49/68/490494968.db2.gz MDINMVMQUVSLRH-CYBMUJFWSA-N -1 1 367.383 0.099 10 0 FCAEMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000535533717 490497314 /nfs/dbraw/zinc/49/73/14/490497314.db2.gz OVYKBMBUVWSYLM-MRVPVSSYSA-N -1 1 352.372 0.722 10 0 FCAEMM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000535533717 490497318 /nfs/dbraw/zinc/49/73/18/490497318.db2.gz OVYKBMBUVWSYLM-MRVPVSSYSA-N -1 1 352.372 0.722 10 0 FCAEMM C[C@H](NC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)C(=O)N1CCCCC1 ZINC000450917137 490499759 /nfs/dbraw/zinc/49/97/59/490499759.db2.gz YAMPBHUJESHHCO-LBPRGKRZSA-N -1 1 365.434 0.472 10 0 FCAEMM COc1ccc(NC(=O)COc2cnn(C)c2)cc1[N-]S(C)(=O)=O ZINC000500504895 490528564 /nfs/dbraw/zinc/52/85/64/490528564.db2.gz UXYMVBAQZCVPAZ-UHFFFAOYSA-N -1 1 354.388 0.818 10 0 FCAEMM CC(C)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000500567272 490535753 /nfs/dbraw/zinc/53/57/53/490535753.db2.gz HIFHNUSXOJILMB-OUAUKWLOSA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000500567272 490535758 /nfs/dbraw/zinc/53/57/58/490535758.db2.gz HIFHNUSXOJILMB-OUAUKWLOSA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500583844 490537102 /nfs/dbraw/zinc/53/71/02/490537102.db2.gz ZWUBHQKNTZMMNB-VIFPVBQESA-N -1 1 371.444 0.663 10 0 FCAEMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500583844 490537108 /nfs/dbraw/zinc/53/71/08/490537108.db2.gz ZWUBHQKNTZMMNB-VIFPVBQESA-N -1 1 371.444 0.663 10 0 FCAEMM CCOc1ccncc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000571927112 491338227 /nfs/dbraw/zinc/33/82/27/491338227.db2.gz OJPJFVAZCLTVKY-GFCCVEGCSA-N -1 1 357.432 0.698 10 0 FCAEMM COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000525332942 490598161 /nfs/dbraw/zinc/59/81/61/490598161.db2.gz HHEMADQFRWWJTJ-NSHDSACASA-N -1 1 361.402 0.585 10 0 FCAEMM COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000525332942 490598163 /nfs/dbraw/zinc/59/81/63/490598163.db2.gz HHEMADQFRWWJTJ-NSHDSACASA-N -1 1 361.402 0.585 10 0 FCAEMM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)o1 ZINC000525692778 490622255 /nfs/dbraw/zinc/62/22/55/490622255.db2.gz LQPHUARQSRGYAG-UHFFFAOYSA-N -1 1 355.372 0.217 10 0 FCAEMM Cc1[nH]ncc1C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000564978805 491342553 /nfs/dbraw/zinc/34/25/53/491342553.db2.gz ONYXHUWQROSJHO-IAQYHMDHSA-N -1 1 362.430 0.993 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)ccc2N1C ZINC000537125156 490651096 /nfs/dbraw/zinc/65/10/96/490651096.db2.gz ZVWHVIWLGIMWFE-JQWIXIFHSA-N -1 1 355.402 0.996 10 0 FCAEMM NS(=O)(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)s1 ZINC000502056914 490673170 /nfs/dbraw/zinc/67/31/70/490673170.db2.gz RQTWFXKSOJLWRK-UHFFFAOYSA-N -1 1 364.408 0.562 10 0 FCAEMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512565662 490688204 /nfs/dbraw/zinc/68/82/04/490688204.db2.gz QTDFEPZZQIVVFD-SECBINFHSA-N -1 1 352.372 0.817 10 0 FCAEMM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512565662 490688207 /nfs/dbraw/zinc/68/82/07/490688207.db2.gz QTDFEPZZQIVVFD-SECBINFHSA-N -1 1 352.372 0.817 10 0 FCAEMM COCCCOc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000512664408 490691849 /nfs/dbraw/zinc/69/18/49/490691849.db2.gz BHUYEJQOUKFJAE-UHFFFAOYSA-N -1 1 355.376 0.271 10 0 FCAEMM COCCCOc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cn1 ZINC000512664408 490691852 /nfs/dbraw/zinc/69/18/52/490691852.db2.gz BHUYEJQOUKFJAE-UHFFFAOYSA-N -1 1 355.376 0.271 10 0 FCAEMM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000538050187 490706661 /nfs/dbraw/zinc/70/66/61/490706661.db2.gz ILDTTYZPVXNEQJ-UHFFFAOYSA-N -1 1 372.378 0.466 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000538227749 490721106 /nfs/dbraw/zinc/72/11/06/490721106.db2.gz DMZVYGGFEXZHGF-NSHDSACASA-N -1 1 350.404 0.128 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)co1 ZINC000527519534 490731748 /nfs/dbraw/zinc/73/17/48/490731748.db2.gz XEYUBHYXPHNEFD-NSHDSACASA-N -1 1 352.368 0.758 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2)c1 ZINC000513794588 490747653 /nfs/dbraw/zinc/74/76/53/490747653.db2.gz SEKSGJXXQCTYSZ-UHFFFAOYSA-N -1 1 352.368 0.775 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000505268009 490825473 /nfs/dbraw/zinc/82/54/73/490825473.db2.gz HRSIREQUNQVOGN-UHFFFAOYSA-N -1 1 357.414 0.818 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cn1C ZINC000505279025 490825985 /nfs/dbraw/zinc/82/59/85/490825985.db2.gz CCSLXFBCJBEAAH-UHFFFAOYSA-N -1 1 360.399 0.766 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1CCOc1ccc(F)cc1 ZINC000505989027 490846665 /nfs/dbraw/zinc/84/66/65/490846665.db2.gz CENAQUQUDDTNEQ-UHFFFAOYSA-N -1 1 372.364 0.737 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)co1 ZINC000529623642 490863560 /nfs/dbraw/zinc/86/35/60/490863560.db2.gz QFOPHCMTMPQRLK-VIFPVBQESA-N -1 1 366.321 0.918 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)o1 ZINC000529998976 490885831 /nfs/dbraw/zinc/88/58/31/490885831.db2.gz UZFCNAOJHXONNL-GFCCVEGCSA-N -1 1 363.395 0.744 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000543746042 490944225 /nfs/dbraw/zinc/94/42/25/490944225.db2.gz UAJIELIJLCZFCM-GXTWGEPZSA-N -1 1 370.413 0.916 10 0 FCAEMM COc1nnc([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)s1 ZINC000660356109 493346552 /nfs/dbraw/zinc/34/65/52/493346552.db2.gz OVGZEVHEMIGYMA-UHFFFAOYSA-N -1 1 353.385 0.411 10 0 FCAEMM Cn1[n-]c(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)nc1=O ZINC000574501794 491501308 /nfs/dbraw/zinc/50/13/08/491501308.db2.gz GJLTXABKNFAZHZ-RISCZKNCSA-N -1 1 353.785 0.963 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)o1 ZINC000567946959 491542362 /nfs/dbraw/zinc/54/23/62/491542362.db2.gz GQOPFYCGFGYSKZ-SNVBAGLBSA-N -1 1 351.388 0.304 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)N2CCCN(CC(=O)[O-])CC2)CCCC1 ZINC000562231410 491661355 /nfs/dbraw/zinc/66/13/55/491661355.db2.gz JFGAANZVBDSWQI-UHFFFAOYSA-N -1 1 362.448 0.142 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC000579354025 491696144 /nfs/dbraw/zinc/69/61/44/491696144.db2.gz OWQFTPCVXUYOSG-DGCLKSJQSA-N -1 1 357.370 0.775 10 0 FCAEMM COCc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000580082079 491716878 /nfs/dbraw/zinc/71/68/78/491716878.db2.gz PAWCWZYHYSQXAN-LBPRGKRZSA-N -1 1 369.399 0.539 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)nc2n1 ZINC000588006388 491737152 /nfs/dbraw/zinc/73/71/52/491737152.db2.gz GVNXLBTZUNVNFN-CQSZACIVSA-N -1 1 369.381 0.958 10 0 FCAEMM CCOC(=O)C[C@H](CO)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000590554490 491779251 /nfs/dbraw/zinc/77/92/51/491779251.db2.gz CYRXUCQOXNLCSM-CYBMUJFWSA-N -1 1 374.397 0.525 10 0 FCAEMM CN1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000590606514 491781304 /nfs/dbraw/zinc/78/13/04/491781304.db2.gz UFXKFTTVHKEOJB-NSHDSACASA-N -1 1 365.452 0.570 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)ncn2C)c1ccnn1C ZINC000592090830 491831713 /nfs/dbraw/zinc/83/17/13/491831713.db2.gz FFHPBJNTSWXHRT-AWEZNQCLSA-N -1 1 363.399 0.499 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000594864347 491867959 /nfs/dbraw/zinc/86/79/59/491867959.db2.gz FILBVQAEEHBWLQ-ZDUSSCGKSA-N -1 1 353.412 0.931 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)o1 ZINC000600560954 491868696 /nfs/dbraw/zinc/86/86/96/491868696.db2.gz XFOLYCINUJVQNB-GRYCIOLGSA-N -1 1 370.427 0.992 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000601314606 491903434 /nfs/dbraw/zinc/90/34/34/491903434.db2.gz KZROJYSYFDENEW-CABCVRRESA-N -1 1 368.455 0.701 10 0 FCAEMM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601402823 491914264 /nfs/dbraw/zinc/91/42/64/491914264.db2.gz XDKFHHBGZLKVRA-GJZGRUSLSA-N -1 1 362.492 0.748 10 0 FCAEMM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601402822 491914296 /nfs/dbraw/zinc/91/42/96/491914296.db2.gz XDKFHHBGZLKVRA-CABCVRRESA-N -1 1 362.492 0.748 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000595327368 491919678 /nfs/dbraw/zinc/91/96/78/491919678.db2.gz QTVYJCJXGVOXQJ-QWRGUYRKSA-N -1 1 363.432 0.811 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)cc1C ZINC000595328503 491919833 /nfs/dbraw/zinc/91/98/33/491919833.db2.gz VHCXRBTYQOQFQD-LLVKDONJSA-N -1 1 371.371 0.301 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC000595366813 491924471 /nfs/dbraw/zinc/92/44/71/491924471.db2.gz JUCVTQYXQBBQII-GFCCVEGCSA-N -1 1 371.415 0.635 10 0 FCAEMM COC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C ZINC000595884145 491958929 /nfs/dbraw/zinc/95/89/29/491958929.db2.gz GVCPNVFGIBWAOM-PIGZYNQJSA-N -1 1 350.371 0.634 10 0 FCAEMM Cn1cc(CCC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)nn1 ZINC000613554065 491985973 /nfs/dbraw/zinc/98/59/73/491985973.db2.gz CULKOMRXBWESTK-CYBMUJFWSA-N -1 1 364.772 0.959 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CCNC3=O)c2)n1 ZINC000596649956 491993813 /nfs/dbraw/zinc/99/38/13/491993813.db2.gz IPJTZJRWJGWVNB-LBPRGKRZSA-N -1 1 372.385 0.336 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000614067260 492012843 /nfs/dbraw/zinc/01/28/43/492012843.db2.gz CZCYMCXTLRLVID-KRWDZBQOSA-N -1 1 361.402 0.273 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)n1 ZINC000597573608 492048403 /nfs/dbraw/zinc/04/84/03/492048403.db2.gz GKESGCARYJFPBQ-OLZOCXBDSA-N -1 1 366.418 0.739 10 0 FCAEMM COC(=O)[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1cccc(OC)c1 ZINC000598018508 492079062 /nfs/dbraw/zinc/07/90/62/492079062.db2.gz AKOGQEKVTWELOF-JTQLQIEISA-N -1 1 363.326 0.549 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605381466 492092908 /nfs/dbraw/zinc/09/29/08/492092908.db2.gz RIBPRFWTLKTWOJ-UHFFFAOYSA-N -1 1 364.431 0.649 10 0 FCAEMM O=C(CNS(=O)(=O)c1cccs1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381772 492093133 /nfs/dbraw/zinc/09/31/33/492093133.db2.gz VPHNIGFAFXZSQS-UHFFFAOYSA-N -1 1 356.433 0.125 10 0 FCAEMM O=C(CCN1C(=O)c2ccccc2C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605531381 492097758 /nfs/dbraw/zinc/09/77/58/492097758.db2.gz YSDXYBVGNLGNMP-UHFFFAOYSA-N -1 1 354.370 0.772 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000605530752 492097973 /nfs/dbraw/zinc/09/79/73/492097973.db2.gz QOAHNWAHCZSFAK-UHFFFAOYSA-N -1 1 369.385 0.451 10 0 FCAEMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3c(O)cccc3F)cnc21 ZINC000608004149 492161699 /nfs/dbraw/zinc/16/16/99/492161699.db2.gz AVYBOAUHOZDLSQ-UHFFFAOYSA-N -1 1 366.330 0.680 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1F ZINC000599392795 492167335 /nfs/dbraw/zinc/16/73/35/492167335.db2.gz XQENAFHLLRZWAK-QWRGUYRKSA-N -1 1 365.354 0.570 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000599403428 492168617 /nfs/dbraw/zinc/16/86/17/492168617.db2.gz DGDZYJORETVLNK-CABCVRRESA-N -1 1 357.428 0.878 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000608365775 492174270 /nfs/dbraw/zinc/17/42/70/492174270.db2.gz BGBKQYZDNVSAOY-UWVGGRQHSA-N -1 1 356.375 0.505 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000599456085 492174923 /nfs/dbraw/zinc/17/49/23/492174923.db2.gz IUXUFUQXCZLBKG-HZSPNIEDSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000599476833 492178423 /nfs/dbraw/zinc/17/84/23/492178423.db2.gz MXKQPPPAUKIFRX-UHFFFAOYSA-N -1 1 372.374 0.920 10 0 FCAEMM NC(=O)[C@H]1C[C@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000600317512 492259416 /nfs/dbraw/zinc/25/94/16/492259416.db2.gz WBRQGOOQJZMVHR-ZKCHVHJHSA-N -1 1 360.151 0.991 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)co1 ZINC000620415771 492308236 /nfs/dbraw/zinc/30/82/36/492308236.db2.gz GRJFITRSNWHGRT-NSHDSACASA-N -1 1 357.432 0.565 10 0 FCAEMM CN(CCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)Cc1ccccc1 ZINC000647581570 492324236 /nfs/dbraw/zinc/32/42/36/492324236.db2.gz FEAFTPVNJKMSPX-UHFFFAOYSA-N -1 1 361.442 0.948 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c(=O)n(C)c1=O ZINC000621324158 492376223 /nfs/dbraw/zinc/37/62/23/492376223.db2.gz ZZTCVGVOUDSVOU-LLVKDONJSA-N -1 1 365.402 0.576 10 0 FCAEMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000655907185 492486743 /nfs/dbraw/zinc/48/67/43/492486743.db2.gz OWJVGWNUMWXZKF-NSHDSACASA-N -1 1 359.304 0.935 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)NC(=O)CCc3ccccc3)nc2n1 ZINC000622870054 492492148 /nfs/dbraw/zinc/49/21/48/492492148.db2.gz QAZUWSJUJNPJQB-GFCCVEGCSA-N -1 1 368.397 0.802 10 0 FCAEMM CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1)C(=O)[O-] ZINC000655985663 492505483 /nfs/dbraw/zinc/50/54/83/492505483.db2.gz AUJUQMZHAMRBPS-CQSZACIVSA-N -1 1 367.421 0.977 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3CN(C)C2=O)o1 ZINC000623287434 492538887 /nfs/dbraw/zinc/53/88/87/492538887.db2.gz ANJXHVIWMIMHEU-AWEZNQCLSA-N -1 1 363.395 0.631 10 0 FCAEMM COc1ccc(-n2ccc(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)n2)cc1 ZINC000643909094 492600328 /nfs/dbraw/zinc/60/03/28/492600328.db2.gz FCVBGRDHLWBUAQ-UHFFFAOYSA-N -1 1 365.353 0.595 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cnn(CC(N)=O)c1 ZINC000629287068 492601438 /nfs/dbraw/zinc/60/14/38/492601438.db2.gz MFAVFUPXYSFADG-CQSZACIVSA-N -1 1 370.406 0.507 10 0 FCAEMM COC[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000650056234 492609282 /nfs/dbraw/zinc/60/92/82/492609282.db2.gz SJMMNJJWQTZLQY-NWDGAFQWSA-N -1 1 373.431 0.680 10 0 FCAEMM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C1 ZINC000656375374 492616314 /nfs/dbraw/zinc/61/63/14/492616314.db2.gz HGQPGOWCVADBSB-UHFFFAOYSA-N -1 1 369.415 0.726 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)Nc1cn[nH]c1)[N-][C@H]1CCCC1(F)F ZINC000656381925 492617759 /nfs/dbraw/zinc/61/77/59/492617759.db2.gz LSCWHDRJSOOKQT-JTQLQIEISA-N -1 1 372.419 0.649 10 0 FCAEMM O=c1c(Br)c[nH]cc1[N-]S(=O)(=O)N1CCCOCC1 ZINC000650193717 492621127 /nfs/dbraw/zinc/62/11/27/492621127.db2.gz MYJWWRBFTIQLDV-UHFFFAOYSA-N -1 1 352.210 0.516 10 0 FCAEMM CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629496437 492636620 /nfs/dbraw/zinc/63/66/20/492636620.db2.gz TWMWAMLPWDLJJC-OAGGEKHMSA-N -1 1 355.479 0.502 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(=O)NCCF ZINC000656979849 492685902 /nfs/dbraw/zinc/68/59/02/492685902.db2.gz BWIZSTMQGIMSCX-ZETCQYMHSA-N -1 1 354.201 0.597 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC23CC3)o1 ZINC000629830140 492689470 /nfs/dbraw/zinc/68/94/70/492689470.db2.gz ACMNXDZJYVHHIF-JTQLQIEISA-N -1 1 355.416 0.353 10 0 FCAEMM Cn1cnc(CCC[N-]S(=O)(=O)c2ncccc2Br)n1 ZINC000657017289 492695560 /nfs/dbraw/zinc/69/55/60/492695560.db2.gz JQIAZBGRYMFMCP-UHFFFAOYSA-N -1 1 360.237 0.884 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629926354 492705802 /nfs/dbraw/zinc/70/58/02/492705802.db2.gz JMNIVRWQFLNQLM-AWEZNQCLSA-N -1 1 357.414 0.864 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(F)c(F)cc1F ZINC000657087582 492713584 /nfs/dbraw/zinc/71/35/84/492713584.db2.gz VPOCVMORNSKTEH-CYBMUJFWSA-N -1 1 355.334 0.550 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(F)c1 ZINC000657088662 492713757 /nfs/dbraw/zinc/71/37/57/492713757.db2.gz FGOUCPSGEAKCSC-CQSZACIVSA-N -1 1 351.371 0.720 10 0 FCAEMM CCCCn1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C)n1 ZINC000630414942 492745273 /nfs/dbraw/zinc/74/52/73/492745273.db2.gz HQYZMYIRYNPASG-UHFFFAOYSA-N -1 1 358.464 0.773 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]CC1(OCCO)CCC(F)(F)CC1 ZINC000625408915 492776657 /nfs/dbraw/zinc/77/66/57/492776657.db2.gz CNVVGTWWJNLKLL-UHFFFAOYSA-N -1 1 369.390 0.801 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC3(C2)CCCO3)c(F)c1 ZINC000625428148 492781114 /nfs/dbraw/zinc/78/11/14/492781114.db2.gz MUBWGNLIGMIESO-UHFFFAOYSA-N -1 1 364.420 0.751 10 0 FCAEMM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1nn[n-]n1 ZINC000630917758 492784805 /nfs/dbraw/zinc/78/48/05/492784805.db2.gz ZZKNBJRZIROYIC-HNNXBMFYSA-N -1 1 358.446 0.882 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)[n-]1 ZINC000651591955 492788375 /nfs/dbraw/zinc/78/83/75/492788375.db2.gz GCYLHRRTOLVNBQ-MRXNPFEDSA-N -1 1 370.457 0.952 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[n-]1 ZINC000651618838 492795049 /nfs/dbraw/zinc/79/50/49/492795049.db2.gz YWCWVNQIHIPEIF-GOEBONIOSA-N -1 1 370.457 0.999 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3NC2=O)CCOCC1 ZINC000625522263 492809317 /nfs/dbraw/zinc/80/93/17/492809317.db2.gz STTLVJMQYDSSCS-CQSZACIVSA-N -1 1 354.428 0.665 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)CCCC1 ZINC000632038175 492916033 /nfs/dbraw/zinc/91/60/33/492916033.db2.gz QUYFVVOSORXQIS-ZDUSSCGKSA-N -1 1 370.475 0.794 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC000632047983 492918555 /nfs/dbraw/zinc/91/85/55/492918555.db2.gz XFBBQKOMGZJJLT-PRJMDXOYSA-N -1 1 352.338 0.716 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCCC1 ZINC000632048851 492920139 /nfs/dbraw/zinc/92/01/39/492920139.db2.gz VKYMUWXRXAIHDZ-GXTWGEPZSA-N -1 1 370.475 0.793 10 0 FCAEMM Cc1cn2c(n1)C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000626339013 492964424 /nfs/dbraw/zinc/96/44/24/492964424.db2.gz RDBHVJRHDDMQMC-JTQLQIEISA-N -1 1 350.400 0.746 10 0 FCAEMM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)C1 ZINC000632285158 492965051 /nfs/dbraw/zinc/96/50/51/492965051.db2.gz GSBQBDKMCCTJAO-ZDUSSCGKSA-N -1 1 370.406 0.626 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2CCN([C@H]3CCN(C)C3=O)CC2)sc1C ZINC000632490552 493008749 /nfs/dbraw/zinc/00/87/49/493008749.db2.gz LDKMBYDJXBRWOD-ZDUSSCGKSA-N -1 1 372.516 0.733 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@]2(O)CCOC2)o1 ZINC000652809964 493022292 /nfs/dbraw/zinc/02/22/92/493022292.db2.gz VKUPNGBTOXSBQB-HNNXBMFYSA-N -1 1 360.432 0.628 10 0 FCAEMM COc1ccc(NC(=O)N2CN(C)C(=O)[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000646289806 493037780 /nfs/dbraw/zinc/03/77/80/493037780.db2.gz KBYFSPXVTVOBJG-VIFPVBQESA-N -1 1 356.404 0.719 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000659646250 493228881 /nfs/dbraw/zinc/22/88/81/493228881.db2.gz GURSYEJAAGDADI-AWEZNQCLSA-N -1 1 365.405 0.916 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(F)c1 ZINC000682488202 493303419 /nfs/dbraw/zinc/30/34/19/493303419.db2.gz LSAVTPMHTWRMHI-UHFFFAOYSA-N -1 1 355.384 0.686 10 0 FCAEMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)o1 ZINC000676235651 493532398 /nfs/dbraw/zinc/53/23/98/493532398.db2.gz NFTQFZAKDRGRGY-QMMMGPOBSA-N -1 1 357.413 0.747 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)sc1C ZINC000676416560 493550367 /nfs/dbraw/zinc/55/03/67/493550367.db2.gz OOQJLOUDYSMMLE-GFCCVEGCSA-N -1 1 359.473 0.818 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)sc1C ZINC000676415808 493550477 /nfs/dbraw/zinc/55/04/77/493550477.db2.gz CDBGBRXHYOLZCA-YGRLFVJLSA-N -1 1 372.472 0.759 10 0 FCAEMM Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1NS(C)(=O)=O ZINC000677047836 493582930 /nfs/dbraw/zinc/58/29/30/493582930.db2.gz MKCFWPAKUVMCAJ-LBPRGKRZSA-N -1 1 364.431 0.899 10 0 FCAEMM COc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc(Cl)c1[O-] ZINC000680470929 493718377 /nfs/dbraw/zinc/71/83/77/493718377.db2.gz VTRREGCMTIHSMH-UHFFFAOYSA-N -1 1 355.822 0.900 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cn1C ZINC000440269602 536406748 /nfs/dbraw/zinc/40/67/48/536406748.db2.gz JXHNJQCCJHSZQQ-UHFFFAOYSA-N -1 1 354.363 0.424 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000424865940 536918720 /nfs/dbraw/zinc/91/87/20/536918720.db2.gz NCLDVJUROHSEMZ-BSEYFRJRSA-N -1 1 354.472 0.766 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CSc2nc3ccccc3[nH]2)n1 ZINC000501844603 546565889 /nfs/dbraw/zinc/56/58/89/546565889.db2.gz FKYXHXFFMXCUPZ-UHFFFAOYSA-N -1 1 352.401 0.815 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CSc2nc3ccccc3[nH]2)[n-]1 ZINC000501844603 546565895 /nfs/dbraw/zinc/56/58/95/546565895.db2.gz FKYXHXFFMXCUPZ-UHFFFAOYSA-N -1 1 352.401 0.815 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ccnn1C ZINC000592094161 546610941 /nfs/dbraw/zinc/61/09/41/546610941.db2.gz BMQZCTYWRPPNPQ-KOLCDFICSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)s1 ZINC000593632058 546724521 /nfs/dbraw/zinc/72/45/21/546724521.db2.gz IKBHSAAUXVAMKO-ZETCQYMHSA-N -1 1 369.392 0.723 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)c1ccnn1C ZINC000593612138 546727329 /nfs/dbraw/zinc/72/73/29/546727329.db2.gz CNOHITVDDNTCTL-CQSZACIVSA-N -1 1 365.411 0.938 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CCSCC1 ZINC000594766412 546821379 /nfs/dbraw/zinc/82/13/79/546821379.db2.gz VYQDZVBFQAOGKZ-NEPJUHHUSA-N -1 1 367.489 0.396 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C)c1cccc(OC)c1 ZINC000594823484 546836402 /nfs/dbraw/zinc/83/64/02/546836402.db2.gz VPVHZVRCFDXRRB-AWEZNQCLSA-N -1 1 353.400 0.930 10 0 FCAEMM CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)n1 ZINC000548681819 547012688 /nfs/dbraw/zinc/01/26/88/547012688.db2.gz SJSJYDFCERJEFX-QWRGUYRKSA-N -1 1 350.402 0.415 10 0 FCAEMM CCn1ncn([N-]C(=O)c2c(C)n[nH]c2I)c1=O ZINC000897834944 665776521 /nfs/dbraw/zinc/77/65/21/665776521.db2.gz QPLXEEQMTBGASV-UHFFFAOYSA-N -1 1 362.131 0.085 10 0 FCAEMM O=S(=O)([N-]CCCOCCO)c1ccc(Br)nc1F ZINC000859101021 663159742 /nfs/dbraw/zinc/15/97/42/663159742.db2.gz NJOZQVAGTSYEIQ-UHFFFAOYSA-N -1 1 357.201 0.661 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000866960879 665249459 /nfs/dbraw/zinc/24/94/59/665249459.db2.gz VPTKQQPSOSQDEM-WHEQGISXSA-N -1 1 359.473 0.853 10 0 FCAEMM COC(=O)[C@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000905860502 666039907 /nfs/dbraw/zinc/03/99/07/666039907.db2.gz AIHRQECUXQYJGJ-ZETCQYMHSA-N -1 1 353.119 0.586 10 0 FCAEMM CS(=O)(=O)CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])COC1 ZINC000912259074 666397327 /nfs/dbraw/zinc/39/73/27/666397327.db2.gz OMSISZSCBQMKPS-UHFFFAOYSA-N -1 1 353.318 0.954 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000921377539 666442027 /nfs/dbraw/zinc/44/20/27/666442027.db2.gz XROVCKYCIVMKKK-GRYCIOLGSA-N -1 1 355.478 0.252 10 0 FCAEMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000921378052 666442078 /nfs/dbraw/zinc/44/20/78/666442078.db2.gz MQPVRMQWAYSDEK-SNVBAGLBSA-N -1 1 353.462 0.544 10 0 FCAEMM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000921383241 666442460 /nfs/dbraw/zinc/44/24/60/666442460.db2.gz RXUKJZIKZKPWNS-IHRRRGAJSA-N -1 1 350.481 0.604 10 0 FCAEMM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000921385257 666443076 /nfs/dbraw/zinc/44/30/76/666443076.db2.gz KPHJQDFWOKYBBP-GJZGRUSLSA-N -1 1 374.434 0.160 10 0 FCAEMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@](C)(O)c1cccc(F)c1 ZINC000921399687 666445117 /nfs/dbraw/zinc/44/51/17/666445117.db2.gz CFTUZQWPPNIKIS-LAJNKCICSA-N -1 1 353.441 0.442 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCS(=O)(=O)C1 ZINC000921466958 666449924 /nfs/dbraw/zinc/44/99/24/666449924.db2.gz LOFJQRACPQJTNV-CYBMUJFWSA-N -1 1 369.411 0.755 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912732187 666470900 /nfs/dbraw/zinc/47/09/00/666470900.db2.gz ULVRICRYGHWYBJ-GBIKHYSHSA-N -1 1 370.393 0.869 10 0 FCAEMM O=C(NCCC(=O)N1CCOCC1)NCCc1c(F)cc([O-])cc1F ZINC000913992183 666679222 /nfs/dbraw/zinc/67/92/22/666679222.db2.gz RDVWOEMFCJTYPZ-UHFFFAOYSA-N -1 1 357.357 0.761 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-]CCOCCO)c1F ZINC000914138460 666705495 /nfs/dbraw/zinc/70/54/95/666705495.db2.gz VRACDLTWWMJPFJ-UHFFFAOYSA-N -1 1 372.212 0.884 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)cc1C ZINC000917066703 667052857 /nfs/dbraw/zinc/05/28/57/667052857.db2.gz PGLOPNSOSSPZJR-GFCCVEGCSA-N -1 1 357.432 0.043 10 0 FCAEMM O=S(=O)([N-]C1CC(N2CCOCC2)C1)c1nc[nH]c1Br ZINC000918276424 667108712 /nfs/dbraw/zinc/10/87/12/667108712.db2.gz IIUNLEZHKFCPSA-UHFFFAOYSA-N -1 1 365.253 0.314 10 0 FCAEMM Cn1ncnc1CCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000919536765 667183917 /nfs/dbraw/zinc/18/39/17/667183917.db2.gz GPPRUSVOSCRHPL-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM CN(CCN1CCCS1(=O)=O)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000751935055 667494872 /nfs/dbraw/zinc/49/48/72/667494872.db2.gz VFSNFKONPJQXLY-UHFFFAOYSA-N -1 1 368.488 0.927 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)NCCc2c(F)cc([O-])cc2F)CN1C1CC1 ZINC000921966101 667555794 /nfs/dbraw/zinc/55/57/94/667555794.db2.gz UHPGLANUIACUSN-NSHDSACASA-N -1 1 360.382 0.896 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)co1 ZINC000756569121 667679126 /nfs/dbraw/zinc/67/91/26/667679126.db2.gz ATBJLKLSTQMEAL-NXEZZACHSA-N -1 1 351.402 0.310 10 0 FCAEMM O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1(c2nn[n-]n2)CCC1 ZINC000737966936 667895681 /nfs/dbraw/zinc/89/56/81/667895681.db2.gz MULRRERRLIMDIK-UHFFFAOYSA-N -1 1 371.369 0.934 10 0 FCAEMM C[C@H](CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)NC(=O)OC(C)(C)C ZINC000765318281 668004768 /nfs/dbraw/zinc/00/47/68/668004768.db2.gz JPALAKRPWBERTA-GHMZBOCLSA-N -1 1 354.411 0.793 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)nc1=O ZINC000765457232 668007209 /nfs/dbraw/zinc/00/72/09/668007209.db2.gz GYTUPYYOGNOWDW-MRVPVSSYSA-N -1 1 352.297 0.483 10 0 FCAEMM Cn1[n-]c(COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)nc1=O ZINC000765461111 668007385 /nfs/dbraw/zinc/00/73/85/668007385.db2.gz JMSSEEAUMREKEQ-UHFFFAOYSA-N -1 1 366.277 0.154 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)nc1=O ZINC000765461058 668007426 /nfs/dbraw/zinc/00/74/26/668007426.db2.gz YRBAANUQYIMSAU-NSHDSACASA-N -1 1 350.400 0.447 10 0 FCAEMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000765497116 668008550 /nfs/dbraw/zinc/00/85/50/668008550.db2.gz QNQDZAWPBGLTCN-JTQLQIEISA-N -1 1 368.415 0.206 10 0 FCAEMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCOC1 ZINC000766557848 668031477 /nfs/dbraw/zinc/03/14/77/668031477.db2.gz DNJOMAGNNZLDTM-LBPRGKRZSA-N -1 1 351.812 0.382 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000743325663 668046853 /nfs/dbraw/zinc/04/68/53/668046853.db2.gz QURJWVYDLZKCAH-VIFPVBQESA-N -1 1 373.435 0.936 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000743325663 668046855 /nfs/dbraw/zinc/04/68/55/668046855.db2.gz QURJWVYDLZKCAH-VIFPVBQESA-N -1 1 373.435 0.936 10 0 FCAEMM Cn1cc(S(=O)(=O)NCCOC(=O)c2c([O-])cc(F)cc2F)cn1 ZINC000744880611 668067167 /nfs/dbraw/zinc/06/71/67/668067167.db2.gz PUFRLUMKZJYIRX-UHFFFAOYSA-N -1 1 361.326 0.539 10 0 FCAEMM O=S(=O)(c1ncc(-c2ccc(F)cc2)[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000774007464 668118060 /nfs/dbraw/zinc/11/80/60/668118060.db2.gz KUEXCWFCHHGZLV-VXGBXAGGSA-N -1 1 360.388 0.147 10 0 FCAEMM O=S(=O)(c1nc(-c2ccc(F)cc2)c[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000774007464 668118063 /nfs/dbraw/zinc/11/80/63/668118063.db2.gz KUEXCWFCHHGZLV-VXGBXAGGSA-N -1 1 360.388 0.147 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000776563248 668272294 /nfs/dbraw/zinc/27/22/94/668272294.db2.gz IDEHRVQOBMHVLM-GFCCVEGCSA-N -1 1 367.456 0.924 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000779377262 668418185 /nfs/dbraw/zinc/41/81/85/668418185.db2.gz BPJDJOUTTZVQMV-SECBINFHSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000779377262 668418187 /nfs/dbraw/zinc/41/81/87/668418187.db2.gz BPJDJOUTTZVQMV-SECBINFHSA-N -1 1 373.435 0.794 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000783260788 668606956 /nfs/dbraw/zinc/60/69/56/668606956.db2.gz ARZKVQAJYZJHBJ-CBAPKCEASA-N -1 1 363.338 0.519 10 0 FCAEMM CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788995 668735422 /nfs/dbraw/zinc/73/54/22/668735422.db2.gz SUHGAANCFVXFBG-MMWGEVLESA-N -1 1 366.384 0.998 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469072 668929340 /nfs/dbraw/zinc/92/93/40/668929340.db2.gz NYYPXPFTQJNEBL-ZJUUUORDSA-N -1 1 354.325 0.218 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCn2ncnn2)c(F)cc1Cl ZINC000795878978 669068280 /nfs/dbraw/zinc/06/82/80/669068280.db2.gz CMNQTEGDMIEKJX-UHFFFAOYSA-N -1 1 363.758 0.231 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncn(C)n2)c(F)cc1Cl ZINC000795906236 669070459 /nfs/dbraw/zinc/07/04/59/669070459.db2.gz UNEMCLXFYKFAIN-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nnn(C)n2)c(F)cc1Cl ZINC000795956726 669073056 /nfs/dbraw/zinc/07/30/56/669073056.db2.gz GCLPQCFYJSQPJM-UHFFFAOYSA-N -1 1 363.758 0.268 10 0 FCAEMM NC(=O)C1CC(NC(=O)c2cc(I)ccc2[O-])C1 ZINC000716683197 669347387 /nfs/dbraw/zinc/34/73/87/669347387.db2.gz HLQVQSOVBCWPGH-UHFFFAOYSA-N -1 1 360.151 0.991 10 0 FCAEMM C[C@@H]1CCN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000824752721 669412162 /nfs/dbraw/zinc/41/21/62/669412162.db2.gz HYRXBHHVMKYQIG-MXWKQRLJSA-N -1 1 370.393 0.869 10 0 FCAEMM C[C@H]1CCN(C(=O)Cn2cccnc2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707873 669509790 /nfs/dbraw/zinc/50/97/90/669509790.db2.gz GOHODAUPFQLQJS-NHCYSSNCSA-N -1 1 360.336 0.547 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccnn1C ZINC000828127736 669618408 /nfs/dbraw/zinc/61/84/08/669618408.db2.gz WDAHCVDOYAPLEX-GFCCVEGCSA-N -1 1 358.807 0.802 10 0 FCAEMM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810682344 669697010 /nfs/dbraw/zinc/69/70/10/669697010.db2.gz XIGGPCRMDJFXGE-HFAKWTLXSA-N -1 1 366.455 0.843 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C2COCCOC2)c(F)cc1Cl ZINC000813739146 669851680 /nfs/dbraw/zinc/85/16/80/669851680.db2.gz PNYNEWOQUOKWDD-UHFFFAOYSA-N -1 1 367.782 0.959 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C)C(=O)OCc1ccccc1 ZINC000814286826 669880226 /nfs/dbraw/zinc/88/02/26/669880226.db2.gz RCJWXPGGJMFTNT-IPYPFGDCSA-N -1 1 356.444 0.798 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@@H]1n1cccn1 ZINC000815109479 669900343 /nfs/dbraw/zinc/90/03/43/669900343.db2.gz DCMCMMRREJHPOV-MXWKQRLJSA-N -1 1 359.839 0.967 10 0 FCAEMM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867106154 669941100 /nfs/dbraw/zinc/94/11/00/669941100.db2.gz WTNAGFVIUZQTHD-IUCAKERBSA-N -1 1 357.354 0.911 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)c1C(F)(F)F ZINC000867449906 670053338 /nfs/dbraw/zinc/05/33/38/670053338.db2.gz BTRBBDJKZJHPDV-LBPRGKRZSA-N -1 1 371.381 0.895 10 0 FCAEMM COCC[C@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000867198902 670069062 /nfs/dbraw/zinc/06/90/62/670069062.db2.gz BZMQSQBXWSKRNB-NSHDSACASA-N -1 1 357.354 0.913 10 0 FCAEMM COC(=O)c1ccccc1CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015539 670767063 /nfs/dbraw/zinc/76/70/63/670767063.db2.gz LWNZXWGOOOIWBR-UHFFFAOYSA-N -1 1 368.455 0.946 10 0 FCAEMM Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)cn12 ZINC000843015926 670767130 /nfs/dbraw/zinc/76/71/30/670767130.db2.gz JNYIEIWHTRRDNN-UHFFFAOYSA-N -1 1 351.432 0.582 10 0 FCAEMM COC(=O)c1ncoc1CCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015705 670767145 /nfs/dbraw/zinc/76/71/45/670767145.db2.gz VQCSCHCFEONBSM-UHFFFAOYSA-N -1 1 373.431 0.324 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C)CCC1 ZINC000843017594 670767871 /nfs/dbraw/zinc/76/78/71/670767871.db2.gz FYQGTSIJXPMABK-UHFFFAOYSA-N -1 1 363.480 0.784 10 0 FCAEMM CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C1CCCC1 ZINC000843017408 670768107 /nfs/dbraw/zinc/76/81/07/670768107.db2.gz DBYYSIGNZAREDL-CQSZACIVSA-N -1 1 359.492 0.612 10 0 FCAEMM C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018584 670768652 /nfs/dbraw/zinc/76/86/52/670768652.db2.gz YZZYQOFKXIPDQQ-NSHDSACASA-N -1 1 373.500 0.797 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1 ZINC000867345113 670892328 /nfs/dbraw/zinc/89/23/28/670892328.db2.gz XAJHSXBGDFJUPT-LXGOIASLSA-N -1 1 351.416 0.965 10 0 FCAEMM Cn1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nn1 ZINC000845094824 670964994 /nfs/dbraw/zinc/96/49/94/670964994.db2.gz WDNOESNEPYNNLV-UHFFFAOYSA-N -1 1 370.387 0.525 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C2(n3cnnn3)CCCCC2)CCC1 ZINC000845615024 671028963 /nfs/dbraw/zinc/02/89/63/671028963.db2.gz HBEPRFQPESTNHX-UHFFFAOYSA-N -1 1 370.479 0.263 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000847323656 671183112 /nfs/dbraw/zinc/18/31/12/671183112.db2.gz QIYZCCIFUYQWAY-OUAUKWLOSA-N -1 1 364.368 0.848 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCn1ccnn1 ZINC000847350071 671184616 /nfs/dbraw/zinc/18/46/16/671184616.db2.gz DQVSWELTMVYZQX-GHMZBOCLSA-N -1 1 362.356 0.909 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000848456904 671277188 /nfs/dbraw/zinc/27/71/88/671277188.db2.gz PJRAETXLWSCQAI-MNOVXSKESA-N -1 1 361.320 0.897 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1nnnn1C1CC1 ZINC000852734361 671520684 /nfs/dbraw/zinc/52/06/84/671520684.db2.gz AFGWNVJIFQUKCZ-WCBMZHEXSA-N -1 1 362.312 0.104 10 0 FCAEMM CC(C)(C)n1nnc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000854525948 671582084 /nfs/dbraw/zinc/58/20/84/671582084.db2.gz JUMQGQKAIJAVAB-VIFPVBQESA-N -1 1 362.356 0.959 10 0 FCAEMM COC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859080662 671792228 /nfs/dbraw/zinc/79/22/28/671792228.db2.gz CDZDFZXIRCZEFO-SSDOTTSWSA-N -1 1 357.201 0.659 10 0 FCAEMM COC[C@H](O)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859088950 671793033 /nfs/dbraw/zinc/79/30/33/671793033.db2.gz ZLFPACOEHHHGQD-SSDOTTSWSA-N -1 1 357.201 0.659 10 0 FCAEMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859147370 671796429 /nfs/dbraw/zinc/79/64/29/671796429.db2.gz ACYDTGSGYZIYPG-YFKPBYRVSA-N -1 1 366.168 0.019 10 0 FCAEMM C[C@]1([N-]S(=O)(=O)c2ccc(Br)nc2F)CCOC1=O ZINC000859163747 671797318 /nfs/dbraw/zinc/79/73/18/671797318.db2.gz BTNKRZLBVNOJOR-JTQLQIEISA-N -1 1 353.169 0.967 10 0 FCAEMM O=C1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)nc2F)N1 ZINC000859225355 671802523 /nfs/dbraw/zinc/80/25/23/671802523.db2.gz NLIQGLOHZUQSLX-LURJTMIESA-N -1 1 352.185 0.540 10 0 FCAEMM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859225874 671802621 /nfs/dbraw/zinc/80/26/21/671802621.db2.gz GSJJYEHUCKNCQT-MRVPVSSYSA-N -1 1 366.212 0.786 10 0 FCAEMM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859404902 671823607 /nfs/dbraw/zinc/82/36/07/671823607.db2.gz REDQWQYDMACYHA-LURJTMIESA-N -1 1 370.200 0.670 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000860230236 671876259 /nfs/dbraw/zinc/87/62/59/671876259.db2.gz FESLZXQHOSBOON-MWLCHTKSSA-N -1 1 358.370 0.747 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@]2(C3CCCC3)CCNC2=O)CCC1 ZINC000860847880 671921743 /nfs/dbraw/zinc/92/17/43/671921743.db2.gz SCOYNAIWBGWIII-QGZVFWFLSA-N -1 1 371.503 0.613 10 0 FCAEMM COc1cncc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000863532884 672134108 /nfs/dbraw/zinc/13/41/08/672134108.db2.gz MIPRVRRLAOEODK-KOLCDFICSA-N -1 1 362.308 0.581 10 0 FCAEMM O=C1CCCN1CCC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866441401 672274119 /nfs/dbraw/zinc/27/41/19/672274119.db2.gz ZEXXHGQCJDQTLQ-UHFFFAOYSA-N -1 1 351.226 0.463 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(=O)NC2CCCC2)c1C(F)(F)F ZINC000866672969 672286006 /nfs/dbraw/zinc/28/60/06/672286006.db2.gz UJZFQWJKRANWJO-UHFFFAOYSA-N -1 1 354.354 0.776 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2CCOCC2(C)C)c1C(F)(F)F ZINC000866731175 672293563 /nfs/dbraw/zinc/29/35/63/672293563.db2.gz QLCZDKZGGQOBKA-UHFFFAOYSA-N -1 1 370.397 0.828 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2CCSCC2)c1C(F)(F)F ZINC000866778293 672304026 /nfs/dbraw/zinc/30/40/26/672304026.db2.gz UNWANHQIZFKGLQ-UHFFFAOYSA-N -1 1 358.411 0.766 10 0 FCAEMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867459632 672319709 /nfs/dbraw/zinc/31/97/09/672319709.db2.gz WEKHHZPTZMUTGF-LURJTMIESA-N -1 1 358.189 0.362 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)NCC[S@@](=O)CC(F)(F)F)c1 ZINC000867497750 672326331 /nfs/dbraw/zinc/32/63/31/672326331.db2.gz RYEAGZPSBVTWJX-OAQYLSRUSA-N -1 1 361.363 0.990 10 0 FCAEMM O=[S@](CC[N-]S(=O)(=O)N=S1(=O)CCCC1)CC(F)(F)F ZINC000867497970 672326401 /nfs/dbraw/zinc/32/64/01/672326401.db2.gz GQGQEOQZXOJZFA-GOSISDBHSA-N -1 1 356.413 0.394 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000867529726 672331923 /nfs/dbraw/zinc/33/19/23/672331923.db2.gz MRMAETUZAQGTPE-GIYNXVAASA-N -1 1 365.521 0.582 10 0 FCAEMM O=C1N(CC[N-]S(=O)(=O)c2ccc(F)nc2F)C[C@@H]2CCCCN12 ZINC000867529307 672332034 /nfs/dbraw/zinc/33/20/34/672332034.db2.gz JUDADJOMTVKZQF-JTQLQIEISA-N -1 1 360.386 0.928 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000867774568 672366381 /nfs/dbraw/zinc/36/63/81/672366381.db2.gz BPMFEZLFZYZKNQ-JMCQJSRRSA-N -1 1 353.318 0.960 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2cn3cc(F)ccc3n2)CCC1 ZINC000870446722 672493203 /nfs/dbraw/zinc/49/32/03/672493203.db2.gz JCTGTRMTZLZXBB-UHFFFAOYSA-N -1 1 368.434 0.946 10 0 FCAEMM CC1(NS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CC(F)(F)C1 ZINC000871873715 672577725 /nfs/dbraw/zinc/57/77/25/672577725.db2.gz TYXDEGREJNBQSU-UHFFFAOYSA-N -1 1 370.390 0.668 10 0 FCAEMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CN1CCCCC1 ZINC000872452237 672619912 /nfs/dbraw/zinc/61/99/12/672619912.db2.gz IEDAFHHYFJXCMR-XUSGNXJCSA-N -1 1 355.526 0.564 10 0 FCAEMM C[C@@H](O)[C@@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000717387422 673576574 /nfs/dbraw/zinc/57/65/74/673576574.db2.gz SUNQBRVGWMLETN-LDWIPMOCSA-N -1 1 351.140 0.468 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(Br)n1C ZINC000717575624 673627560 /nfs/dbraw/zinc/62/75/60/673627560.db2.gz ISSQFUGUCAYSFL-VIFPVBQESA-N -1 1 352.254 0.930 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000927962172 673894558 /nfs/dbraw/zinc/89/45/58/673894558.db2.gz WRUVVPWGYROKQX-FZMZJTMJSA-N -1 1 353.394 0.772 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000801976153 675815881 /nfs/dbraw/zinc/81/58/81/675815881.db2.gz PCOIBWBWSWBXOK-ZDUSSCGKSA-N -1 1 366.292 0.976 10 0 FCAEMM O=C(C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC001625790905 1167849900 /nfs/dbraw/zinc/84/99/00/1167849900.db2.gz VGFMMELOYFLUKC-ZFWWWQNUSA-N -1 1 367.423 0.770 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1ccccc1OCCN1CCOCC1 ZINC001625802922 1167954255 /nfs/dbraw/zinc/95/42/55/1167954255.db2.gz AWYNUBKDIMAIBQ-UHFFFAOYSA-N -1 1 360.418 0.160 10 0 FCAEMM CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001719629207 1170849485 /nfs/dbraw/zinc/84/94/85/1170849485.db2.gz HPCQGLBAIYSOIP-WLDGIZNKSA-N -1 1 362.430 0.389 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001719636383 1171143137 /nfs/dbraw/zinc/14/31/37/1171143137.db2.gz LNNPGODHNVEBAL-UTLUCORTSA-N -1 1 370.381 0.610 10 0 FCAEMM CC(C)n1c(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[n-]c1=S ZINC000066640013 1181868116 /nfs/dbraw/zinc/86/81/16/1181868116.db2.gz NJJAOLPQATYFSK-UHFFFAOYSA-N -1 1 374.426 0.841 10 0 FCAEMM CCc1nc(CN2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)no1 ZINC001167700092 1181968232 /nfs/dbraw/zinc/96/82/32/1181968232.db2.gz MTDRQUIZTSZQEL-UHFFFAOYSA-N -1 1 360.418 0.518 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N(CCN1CCOCC1)CC1CC1 ZINC001167748846 1183162172 /nfs/dbraw/zinc/16/21/72/1183162172.db2.gz JSPLWFIVXDGDNK-UHFFFAOYSA-N -1 1 362.430 0.088 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC001687391008 1188352418 /nfs/dbraw/zinc/35/24/18/1188352418.db2.gz PEIFPASVPASTBD-KGLIPLIRSA-N -1 1 364.402 0.344 10 0 FCAEMM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001719872001 1188374293 /nfs/dbraw/zinc/37/42/93/1188374293.db2.gz ZGYNIOLWYJFSFP-BNOWGMLFSA-N -1 1 373.413 0.057 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2cn(C)nn2)no1 ZINC000904814775 1195547259 /nfs/dbraw/zinc/54/72/59/1195547259.db2.gz VSJOENJMIJGARP-UHFFFAOYSA-N -1 1 350.342 0.910 10 0 FCAEMM CN1CCN(c2cccc(C(=O)NCc3ccc(C(=O)[O-])cn3)n2)CC1 ZINC000911732828 1196310444 /nfs/dbraw/zinc/31/04/44/1196310444.db2.gz ZZRPWZGPNBSILT-UHFFFAOYSA-N -1 1 355.398 0.857 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)OCc2ccccc2)n[n-]1 ZINC000787906372 1200916382 /nfs/dbraw/zinc/91/63/82/1200916382.db2.gz PMKSNRAMFHLBDI-UHFFFAOYSA-N -1 1 361.358 0.524 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)OCc2ccccc2)n1 ZINC000787906372 1200916391 /nfs/dbraw/zinc/91/63/91/1200916391.db2.gz PMKSNRAMFHLBDI-UHFFFAOYSA-N -1 1 361.358 0.524 10 0 FCAEMM Cn1cc([C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C(C)(C)C)cn1 ZINC000806924175 1202789034 /nfs/dbraw/zinc/78/90/34/1202789034.db2.gz FKIYTFUBGZSZIY-CQSZACIVSA-N -1 1 369.429 0.917 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC[C@@H]3CCCC[C@H]3O)ccnc1-2 ZINC000806945281 1202799534 /nfs/dbraw/zinc/79/95/34/1202799534.db2.gz SRWHHMCUXPNCNV-SWLSCSKDSA-N -1 1 359.430 0.728 10 0 FCAEMM O=C(COC(=O)c1cn[n-]n1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000805609231 1203060868 /nfs/dbraw/zinc/06/08/68/1203060868.db2.gz ORFYTBPESGWPTL-UHFFFAOYSA-N -1 1 357.370 0.383 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818656894 1203142785 /nfs/dbraw/zinc/14/27/85/1203142785.db2.gz MPGDSBYYNZHKKT-CYBMUJFWSA-N -1 1 373.413 0.951 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000818656894 1203142787 /nfs/dbraw/zinc/14/27/87/1203142787.db2.gz MPGDSBYYNZHKKT-CYBMUJFWSA-N -1 1 373.413 0.951 10 0 FCAEMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCNC1=O)C(F)(F)F ZINC000824300159 1203290618 /nfs/dbraw/zinc/29/06/18/1203290618.db2.gz VOMGPIOENNCYHI-QWRGUYRKSA-N -1 1 370.331 0.694 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000844071078 1203333525 /nfs/dbraw/zinc/33/35/25/1203333525.db2.gz WVXPZUFDBMNWLS-UHFFFAOYSA-N -1 1 359.386 0.621 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1CCCCC(=O)C1=O ZINC001146300608 1204714958 /nfs/dbraw/zinc/71/49/58/1204714958.db2.gz UDPJTQKFDJQIPZ-UHFFFAOYSA-N -1 1 359.386 0.250 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001147342787 1204773657 /nfs/dbraw/zinc/77/36/57/1204773657.db2.gz MQAWBLGTCLCITN-UHFFFAOYSA-N -1 1 373.438 0.841 10 0 FCAEMM O=C(Cn1cnc(-c2ccccc2)n1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175214168 1206301601 /nfs/dbraw/zinc/30/16/01/1206301601.db2.gz LDPHWDHQDPSDLP-UHFFFAOYSA-N -1 1 366.381 0.830 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cn2ccnn2)cc1 ZINC001175213844 1206301658 /nfs/dbraw/zinc/30/16/58/1206301658.db2.gz IBKDYHZKCKAACI-UHFFFAOYSA-N -1 1 366.381 0.825 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574010 1206343489 /nfs/dbraw/zinc/34/34/89/1206343489.db2.gz STFFCTXVHQKSPR-LLVKDONJSA-N -1 1 359.390 0.971 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574010 1206343493 /nfs/dbraw/zinc/34/34/93/1206343493.db2.gz STFFCTXVHQKSPR-LLVKDONJSA-N -1 1 359.390 0.971 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cnn2c1NCCC2 ZINC001177574010 1206343497 /nfs/dbraw/zinc/34/34/97/1206343497.db2.gz STFFCTXVHQKSPR-LLVKDONJSA-N -1 1 359.390 0.971 10 0 FCAEMM COCCOc1cc(C(=O)N[C@@H](COC)c2nn[n-]n2)nc2ccccc21 ZINC001177828748 1206346629 /nfs/dbraw/zinc/34/66/29/1206346629.db2.gz QQQGYXGMRZYNOL-AWEZNQCLSA-N -1 1 372.385 0.891 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CCN2C(=O)C(C)=C(C)C2=O)[n-]c1=O ZINC001180060068 1206388687 /nfs/dbraw/zinc/38/86/87/1206388687.db2.gz QPJBHEUVCLNHKT-LBPRGKRZSA-N -1 1 374.397 0.950 10 0 FCAEMM COC(=O)[C@@]1(O)CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC001184191142 1206466174 /nfs/dbraw/zinc/46/61/74/1206466174.db2.gz MKEUTBIAQWTQNW-QGZVFWFLSA-N -1 1 362.386 0.121 10 0 FCAEMM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001489288153 1208719111 /nfs/dbraw/zinc/71/91/11/1208719111.db2.gz SIMXOBYEUBHSJN-CHWSQXEVSA-N -1 1 362.430 0.882 10 0 FCAEMM Cn1cc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)cn1 ZINC001489865067 1209124563 /nfs/dbraw/zinc/12/45/63/1209124563.db2.gz BPLKTQPIWBFBQE-GXTWGEPZSA-N -1 1 357.414 0.778 10 0 FCAEMM C[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001490286088 1209297669 /nfs/dbraw/zinc/29/76/69/1209297669.db2.gz OBGUOGVCTCXWAF-GHMZBOCLSA-N -1 1 357.357 0.893 10 0 FCAEMM CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000850705938 1209484992 /nfs/dbraw/zinc/48/49/92/1209484992.db2.gz KPVBCBSXZCKPKS-LBPRGKRZSA-N -1 1 372.429 0.044 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000859277773 1209815438 /nfs/dbraw/zinc/81/54/38/1209815438.db2.gz AYIAVHVNFUUCDL-VXGBXAGGSA-N -1 1 364.406 0.713 10 0 FCAEMM NC(=O)c1ccc(CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000861772574 1209881447 /nfs/dbraw/zinc/88/14/47/1209881447.db2.gz VSBNUXBKVJNZHB-NSHDSACASA-N -1 1 372.347 0.640 10 0 FCAEMM CCC[C@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001137206533 1210727125 /nfs/dbraw/zinc/72/71/25/1210727125.db2.gz WCVZLZHLTIXRAR-COPLHBTASA-N -1 1 373.335 0.968 10 0 FCAEMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)cc2)[n-]1 ZINC000928453066 1211602963 /nfs/dbraw/zinc/60/29/63/1211602963.db2.gz IEQAIJUGDGPQQC-BLLLJJGKSA-N -1 1 372.425 0.704 10 0 FCAEMM O=C(NCCCN1CCOCC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929102512 1211617356 /nfs/dbraw/zinc/61/73/56/1211617356.db2.gz VRSHBWDROJZEFG-UHFFFAOYSA-N -1 1 371.384 0.168 10 0 FCAEMM O=C(c1c([O-])cnc2c(F)cccc21)N(CCO)CCN1CCOCC1 ZINC000901144113 1218085625 /nfs/dbraw/zinc/08/56/25/1218085625.db2.gz SGMMAIBEURIUKK-UHFFFAOYSA-N -1 1 363.389 0.846 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000752844014 1220082874 /nfs/dbraw/zinc/08/28/74/1220082874.db2.gz YQQLGOBDTIOPCX-GOEBONIOSA-N -1 1 369.381 0.592 10 0 FCAEMM C[C@H]1[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CC(=O)N1Cc1ccccc1 ZINC000799087126 1221301581 /nfs/dbraw/zinc/30/15/81/1221301581.db2.gz JMXIYMVGMVEXIC-DZGCQCFKSA-N -1 1 370.409 0.233 10 0 FCAEMM CC(C)[C@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCN(C)CC1 ZINC001118546351 1221799144 /nfs/dbraw/zinc/79/91/44/1221799144.db2.gz SGBPCGCKIWGVIY-RVKKMQEKSA-N -1 1 368.478 0.001 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@@H](C)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001118568488 1221801372 /nfs/dbraw/zinc/80/13/72/1221801372.db2.gz BWTITAQZDFBSPH-DYVFJYSZSA-N -1 1 359.426 0.750 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001118568484 1221801570 /nfs/dbraw/zinc/80/15/70/1221801570.db2.gz BWTITAQZDFBSPH-CXAGYDPISA-N -1 1 359.426 0.750 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001138057289 1222476545 /nfs/dbraw/zinc/47/65/45/1222476545.db2.gz KNPNQTOGOKMKOZ-PUYPPJJSSA-N -1 1 373.335 0.573 10 0 FCAEMM CN(Cc1nnc2n1CCCCC2)C(=O)CNC(=O)c1ncccc1[O-] ZINC001141337204 1222653375 /nfs/dbraw/zinc/65/33/75/1222653375.db2.gz YQDYYJDMADOOBW-UHFFFAOYSA-N -1 1 358.402 0.494 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001166630321 1223283612 /nfs/dbraw/zinc/28/36/12/1223283612.db2.gz QOVPJHDORAPQQF-LLVKDONJSA-N -1 1 365.386 0.086 10 0 FCAEMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000941187057 1246490587 /nfs/dbraw/zinc/49/05/87/1246490587.db2.gz GWZWYBDAJHIWNB-QWHCGFSZSA-N -1 1 370.413 0.138 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C[C@H]2CCOC2)C[C@H]1F ZINC001516133200 1265537803 /nfs/dbraw/zinc/53/78/03/1265537803.db2.gz RIUSZBIMXJBYCL-IJLUTSLNSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C[C@H]2CCOC2)C[C@H]1F ZINC001516133200 1265537808 /nfs/dbraw/zinc/53/78/08/1265537808.db2.gz RIUSZBIMXJBYCL-IJLUTSLNSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001519586422 1265735296 /nfs/dbraw/zinc/73/52/96/1265735296.db2.gz GBPGMXAASYCBLJ-MRVPVSSYSA-N -1 1 350.814 0.794 10 0 FCAEMM Cn1nc(I)cc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001520460895 1265920042 /nfs/dbraw/zinc/92/00/42/1265920042.db2.gz SGOUXMKLVSFFSC-ZCFIWIBFSA-N -1 1 373.158 0.168 10 0 FCAEMM COCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001520648195 1265957131 /nfs/dbraw/zinc/95/71/31/1265957131.db2.gz YWABZWNBBOMZJZ-AGIUHOORSA-N -1 1 351.403 0.558 10 0 FCAEMM Cc1ccc(NC(=O)C2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)nc1 ZINC001330580840 1266063778 /nfs/dbraw/zinc/06/37/78/1266063778.db2.gz BKHCMGQGLPJQKQ-AWEZNQCLSA-N -1 1 360.414 0.726 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)CCOC1 ZINC001331671793 1266263242 /nfs/dbraw/zinc/26/32/42/1266263242.db2.gz YPEBYWUULUPAJF-SFHVURJKSA-N -1 1 362.382 0.051 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@@H]1COCCO1 ZINC001521970197 1266265667 /nfs/dbraw/zinc/26/56/67/1266265667.db2.gz CKDYVHPXTZZFBC-NFAWXSAZSA-N -1 1 363.414 0.417 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCCC[C@H]1C1OCCO1 ZINC001235546495 1259578720 /nfs/dbraw/zinc/57/87/20/1259578720.db2.gz SNAAKBXYSGHUMA-ZDUSSCGKSA-N -1 1 364.402 0.692 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2F)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264731560 1260405576 /nfs/dbraw/zinc/40/55/76/1260405576.db2.gz QDRNVBHNUJOZNN-DOMZBBRYSA-N -1 1 361.421 0.959 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2nc3nc(C)cc(C)n3n2)[n-]c1=O ZINC001472022308 1261426378 /nfs/dbraw/zinc/42/63/78/1261426378.db2.gz VLNGWFMEFHCCRG-UHFFFAOYSA-N -1 1 357.374 0.910 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)n[n-]1 ZINC001472545422 1261474140 /nfs/dbraw/zinc/47/41/40/1261474140.db2.gz KYDRRXZIWWBMBM-VIFPVBQESA-N -1 1 355.395 0.901 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)n1 ZINC001472545422 1261474142 /nfs/dbraw/zinc/47/41/42/1261474142.db2.gz KYDRRXZIWWBMBM-VIFPVBQESA-N -1 1 355.395 0.901 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])NC(N)=O ZINC001282729414 1261601255 /nfs/dbraw/zinc/60/12/55/1261601255.db2.gz PNGGDPALBUPKBM-KKOKHZNYSA-N -1 1 361.402 0.096 10 0 FCAEMM COCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001282799598 1261634140 /nfs/dbraw/zinc/63/41/40/1261634140.db2.gz JVGNHRVZQWCIGD-SGTLLEGYSA-N -1 1 360.414 0.817 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)cn1 ZINC001283967346 1261726282 /nfs/dbraw/zinc/72/62/82/1261726282.db2.gz POFSVXXOVWXWPD-RRFJBIMHSA-N -1 1 369.425 0.949 10 0 FCAEMM C[C@H](CCNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001284428599 1261754605 /nfs/dbraw/zinc/75/46/05/1261754605.db2.gz CKMZXKCAGRTWPV-MYFIVHGGSA-N -1 1 360.414 0.721 10 0 FCAEMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001287620318 1261964046 /nfs/dbraw/zinc/96/40/46/1261964046.db2.gz MEGSOYDWTCZVSS-MYFIVHGGSA-N -1 1 360.414 0.673 10 0 FCAEMM CCC(CC)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001289244223 1262154751 /nfs/dbraw/zinc/15/47/51/1262154751.db2.gz QBNWACXAOFLEAY-ZWNOBZJWSA-N -1 1 360.418 0.431 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1ccncn1 ZINC001289314012 1262169617 /nfs/dbraw/zinc/16/96/17/1262169617.db2.gz OTQQREICZHQNBU-TZMCWYRMSA-N -1 1 355.398 0.787 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001289921190 1262371946 /nfs/dbraw/zinc/37/19/46/1262371946.db2.gz ZEWMPJYQNQLNRE-JHJVBQTASA-N -1 1 368.409 0.218 10 0 FCAEMM CCCCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001290578481 1262470736 /nfs/dbraw/zinc/47/07/36/1262470736.db2.gz GQAHVUSXGKFQSH-KGLIPLIRSA-N -1 1 364.446 0.613 10 0 FCAEMM CC[C@H](OC)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001290593385 1262472611 /nfs/dbraw/zinc/47/26/11/1262472611.db2.gz IRARLVDGHJZDSV-UTLUCORTSA-N -1 1 368.390 0.041 10 0 FCAEMM CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CNC(=O)c1ncccc1[O-] ZINC001298377171 1262923781 /nfs/dbraw/zinc/92/37/81/1262923781.db2.gz LIZAOEGUCHOLER-PPUFBPAQSA-N -1 1 361.398 0.850 10 0 FCAEMM COc1cncc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC001300859487 1262997560 /nfs/dbraw/zinc/99/75/60/1262997560.db2.gz SDYVALRRFHQUAD-UHFFFAOYSA-N -1 1 357.301 0.925 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC001302294063 1263038871 /nfs/dbraw/zinc/03/88/71/1263038871.db2.gz OVECKORJXQRKLI-QGZVFWFLSA-N -1 1 365.393 0.824 10 0 FCAEMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479157962 1263174188 /nfs/dbraw/zinc/17/41/88/1263174188.db2.gz QNMBHWWTYCROGH-GWCFXTLKSA-N -1 1 368.434 0.212 10 0 FCAEMM CCC[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479503676 1263229930 /nfs/dbraw/zinc/22/99/30/1263229930.db2.gz RCDQZBILCLCWLB-FPMFFAJLSA-N -1 1 361.450 0.764 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2cc(C)on2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001316737038 1263442912 /nfs/dbraw/zinc/44/29/12/1263442912.db2.gz FCSVIYWGBJNDBD-UONOGXRCSA-N -1 1 362.434 0.507 10 0 FCAEMM CC(C)[C@@H](CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1ncccc1[O-] ZINC001487072271 1263586848 /nfs/dbraw/zinc/58/68/48/1263586848.db2.gz NWTQYRSWCHYWIN-FRRDWIJNSA-N -1 1 362.430 0.512 10 0 FCAEMM O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1cc(=O)n2[n-]cnc2n1 ZINC001501877746 1264148384 /nfs/dbraw/zinc/14/83/84/1264148384.db2.gz TUBXWTLOJLJJLU-RUHGSLFBSA-N -1 1 370.413 0.256 10 0 FCAEMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1)[C@@H]1CCO[C@H]1C1CC1 ZINC001502631997 1264180239 /nfs/dbraw/zinc/18/02/39/1264180239.db2.gz SFETWENAODMYAW-OCCSQVGLSA-N -1 1 365.434 0.080 10 0 FCAEMM CCCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001512898693 1264722244 /nfs/dbraw/zinc/72/22/44/1264722244.db2.gz PTBAKGIMYMTIJY-OUCADQQQSA-N -1 1 351.403 0.294 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC1(CO)CC1 ZINC001324995963 1264752320 /nfs/dbraw/zinc/75/23/20/1264752320.db2.gz ZGNGGEFYPWLGOP-UHFFFAOYSA-N -1 1 364.446 0.491 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001326164534 1265072621 /nfs/dbraw/zinc/07/26/21/1265072621.db2.gz ALGGBFDWGJGZGD-SNVBAGLBSA-N -1 1 365.340 0.719 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H](N[C@@H]2CCC(=O)N(C)C2)C1=O ZINC001326938709 1265204156 /nfs/dbraw/zinc/20/41/56/1265204156.db2.gz WAHDLDGLVHTLJQ-CHWSQXEVSA-N -1 1 359.382 0.536 10 0 FCAEMM C/C=C(/C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001515016493 1265399483 /nfs/dbraw/zinc/39/94/83/1265399483.db2.gz VMCVJPMKODAXBM-MOGXBFFPSA-N -1 1 362.430 0.294 10 0 FCAEMM C[C@@H]1CSCCN1c1nnc(-c2nnn[n-]2)n1C[C@H]1CCCCO1 ZINC001526378395 1266804842 /nfs/dbraw/zinc/80/48/42/1266804842.db2.gz LVWZYWUHUHJMDF-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H]1CSCCN1c1nnc(-c2nn[n-]n2)n1C[C@H]1CCCCO1 ZINC001526378395 1266804860 /nfs/dbraw/zinc/80/48/60/1266804860.db2.gz LVWZYWUHUHJMDF-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM CN1CCN(c2cc(C(=O)NC[C@]3(C(=O)[O-])CCCOC3)ccn2)CC1 ZINC001334205834 1266880396 /nfs/dbraw/zinc/88/03/96/1266880396.db2.gz QZLMBMUGWXYXRY-GOSISDBHSA-N -1 1 362.430 0.445 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)COCCNC(=O)c3ccccc3)nc2n1 ZINC001527691636 1266915967 /nfs/dbraw/zinc/91/59/67/1266915967.db2.gz XRLMYFZGXZSTOU-UHFFFAOYSA-N -1 1 370.369 0.111 10 0 FCAEMM O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001529827095 1267080111 /nfs/dbraw/zinc/08/01/11/1267080111.db2.gz AIQPXQCMFIABAA-QGZVFWFLSA-N -1 1 362.407 0.558 10 0 FCAEMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001538334656 1267401745 /nfs/dbraw/zinc/40/17/45/1267401745.db2.gz UZXGZISSHSBAIF-UHFFFAOYSA-N -1 1 365.312 0.858 10 0 FCAEMM Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nn[n-]n1 ZINC001540339748 1267445650 /nfs/dbraw/zinc/44/56/50/1267445650.db2.gz HQOWDRNCGQKOQU-UHFFFAOYSA-N -1 1 367.207 0.958 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3coc4c3C(=O)NCCC4)nc2n1 ZINC001543195675 1267529970 /nfs/dbraw/zinc/52/99/70/1267529970.db2.gz AMFAYYUXRWTCOD-UHFFFAOYSA-N -1 1 370.369 0.891 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001543237873 1267534330 /nfs/dbraw/zinc/53/43/30/1267534330.db2.gz UNHGJKVDWKHSQP-JTQLQIEISA-N -1 1 373.438 0.887 10 0 FCAEMM CSc1ncc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c(=O)[n-]1 ZINC001543784788 1267561019 /nfs/dbraw/zinc/56/10/19/1267561019.db2.gz VOJWTEGKRIHRGM-OAHLLOKOSA-N -1 1 370.500 0.842 10 0 FCAEMM COCn1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])n1 ZINC001546114615 1267636567 /nfs/dbraw/zinc/63/65/67/1267636567.db2.gz ZEFLCTXGVSXAAW-UHFFFAOYSA-N -1 1 366.399 0.886 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001339949601 1268384213 /nfs/dbraw/zinc/38/42/13/1268384213.db2.gz DRQIXRBJMNXXEB-ZJUUUORDSA-N -1 1 374.488 0.660 10 0 FCAEMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCNC1=O ZINC001556080505 1268810011 /nfs/dbraw/zinc/81/00/11/1268810011.db2.gz HWUZDBLQDPZMRV-INIZCTEOSA-N -1 1 367.427 0.641 10 0 FCAEMM CCC(CC)(NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1nn[n-]n1 ZINC001556494817 1268860800 /nfs/dbraw/zinc/86/08/00/1268860800.db2.gz GIYJQSOLFFNBKB-CYBMUJFWSA-N -1 1 370.413 0.850 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC001556563187 1268866897 /nfs/dbraw/zinc/86/68/97/1268866897.db2.gz JKKBEBHLNRGFGV-VXJOIVPMSA-N -1 1 365.415 0.372 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001556818961 1268898584 /nfs/dbraw/zinc/89/85/84/1268898584.db2.gz ZNOHJMGQDGDZJX-KBXCAEBGSA-N -1 1 361.373 0.253 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001556854622 1268899101 /nfs/dbraw/zinc/89/91/01/1268899101.db2.gz AJVMBBPIVDQWFY-UHFFFAOYSA-N -1 1 362.415 0.537 10 0 FCAEMM CCCCS(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC001556891274 1268903344 /nfs/dbraw/zinc/90/33/44/1268903344.db2.gz LVAAVQVGNZGNTM-UHFFFAOYSA-N -1 1 364.445 0.454 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H](CO)c3cncn3C)c(=O)c2c(OC)c1 ZINC001557695748 1268966956 /nfs/dbraw/zinc/96/69/56/1268966956.db2.gz WUHBZLOTJUSNOL-CYBMUJFWSA-N -1 1 372.381 0.742 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H](CO)c3cncn3C)c(=O)c2c(OC)c1 ZINC001557695751 1268967232 /nfs/dbraw/zinc/96/72/32/1268967232.db2.gz WUHBZLOTJUSNOL-ZDUSSCGKSA-N -1 1 372.381 0.742 10 0 FCAEMM CNC(=O)NC[C@H]1CCCCN1C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001557951494 1268994116 /nfs/dbraw/zinc/99/41/16/1268994116.db2.gz BYNNYWNJPZEXGU-CYBMUJFWSA-N -1 1 374.445 0.904 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(c2ccccn2)=NO1 ZINC001558049560 1269013341 /nfs/dbraw/zinc/01/33/41/1269013341.db2.gz UIHQIZRRELNCAG-CQSZACIVSA-N -1 1 355.354 0.459 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048757 1269013360 /nfs/dbraw/zinc/01/33/60/1269013360.db2.gz LJOZXOKDATUIKO-GFCCVEGCSA-N -1 1 366.443 0.573 10 0 FCAEMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001558162975 1269036911 /nfs/dbraw/zinc/03/69/11/1269036911.db2.gz YZEPZAGTZDGURJ-UHFFFAOYSA-N -1 1 370.435 0.650 10 0 FCAEMM CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](COC)c1nn[n-]n1 ZINC001558339579 1269068150 /nfs/dbraw/zinc/06/81/50/1269068150.db2.gz HDNFWVMKUIUEHG-LBPRGKRZSA-N -1 1 353.404 0.283 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CN2C(=O)c3ccccc3C2=O)[n-]c1=O ZINC001558499850 1269101686 /nfs/dbraw/zinc/10/16/86/1269101686.db2.gz CQXJQJDWFOMYMZ-UHFFFAOYSA-N -1 1 370.365 0.838 10 0 FCAEMM CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001558684050 1269131056 /nfs/dbraw/zinc/13/10/56/1269131056.db2.gz UBVDTAMZROVLEK-DGCLKSJQSA-N -1 1 362.434 0.800 10 0 FCAEMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001558848252 1269149603 /nfs/dbraw/zinc/14/96/03/1269149603.db2.gz OZEURQFICOBSIV-RGCMKSIDSA-N -1 1 365.430 0.751 10 0 FCAEMM COC(=O)CC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001565247947 1269459558 /nfs/dbraw/zinc/45/95/58/1269459558.db2.gz LSGRXRUOUYNXBX-UHFFFAOYSA-N -1 1 364.402 0.740 10 0 FCAEMM CC(C)n1c([C@H]2CCCN(C(=O)c3nnc(O)nc3O)C2)n[n-]c1=S ZINC001565757065 1269491653 /nfs/dbraw/zinc/49/16/53/1269491653.db2.gz LZDYQNZBEJALJC-QMMMGPOBSA-N -1 1 365.419 0.764 10 0 FCAEMM CC(C)n1c([C@@H]2CCCN(C(=O)c3nnc(O)nc3O)C2)n[n-]c1=S ZINC001565757064 1269491659 /nfs/dbraw/zinc/49/16/59/1269491659.db2.gz LZDYQNZBEJALJC-MRVPVSSYSA-N -1 1 365.419 0.764 10 0 FCAEMM CNC(=O)CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001565979553 1269538569 /nfs/dbraw/zinc/53/85/69/1269538569.db2.gz VRNVGVVGTBOUOG-OLZOCXBDSA-N -1 1 366.466 0.533 10 0 FCAEMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001566993694 1269672829 /nfs/dbraw/zinc/67/28/29/1269672829.db2.gz XSQPOTDZXFXMME-GFCCVEGCSA-N -1 1 369.418 0.180 10 0 FCAEMM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC001567974964 1269716036 /nfs/dbraw/zinc/71/60/36/1269716036.db2.gz HLSOFEOBGCQYOV-VIFPVBQESA-N -1 1 366.399 0.781 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001569612200 1269793686 /nfs/dbraw/zinc/79/36/86/1269793686.db2.gz WUTKKYSBMXREQW-UHFFFAOYSA-N -1 1 373.438 0.963 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1 ZINC001571883008 1269970790 /nfs/dbraw/zinc/97/07/90/1269970790.db2.gz ULUJAYIAPMRXLQ-DOMZBBRYSA-N -1 1 363.414 0.296 10 0 FCAEMM Cc1nnc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001344269527 1270123649 /nfs/dbraw/zinc/12/36/49/1270123649.db2.gz SUGCBHZRHWSBSA-NWDGAFQWSA-N -1 1 359.386 0.736 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001344513154 1270193774 /nfs/dbraw/zinc/19/37/74/1270193774.db2.gz ZEZILVARBANUJA-UHFFFAOYSA-N -1 1 373.348 0.260 10 0 FCAEMM C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CCCNC(=O)c1ncccc1[O-] ZINC001344625865 1270212812 /nfs/dbraw/zinc/21/28/12/1270212812.db2.gz HSNTWIDSAMGYBB-CHWSQXEVSA-N -1 1 362.430 0.800 10 0 FCAEMM CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC001345040654 1270309682 /nfs/dbraw/zinc/30/96/82/1270309682.db2.gz DGNVTBAWVXMQRV-OLZOCXBDSA-N -1 1 360.414 0.234 10 0 FCAEMM CCOCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001573084172 1270600844 /nfs/dbraw/zinc/60/08/44/1270600844.db2.gz STQHCRFLPVJPFD-ZIAGYGMSSA-N -1 1 365.430 0.998 10 0 FCAEMM O=C(/C=C/C1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001574304790 1271179898 /nfs/dbraw/zinc/17/98/98/1271179898.db2.gz HSFHXSSKHBXDEA-LOSLYSQWSA-N -1 1 372.425 0.141 10 0 FCAEMM CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001735907069 1289015372 /nfs/dbraw/zinc/01/53/72/1289015372.db2.gz OKXLISRNHJBJFU-FXAINCCUSA-N -1 1 366.443 0.113 10 0 FCAEMM O=C(N(CCNCc1n[nH]c(=O)[n-]1)Cc1ccccc1)[C@]12C[C@H]1COC2 ZINC001717005174 1287400627 /nfs/dbraw/zinc/40/06/27/1287400627.db2.gz QFHVDFDPPOHECT-KSSFIOAISA-N -1 1 357.414 0.665 10 0 FCAEMM CC(C)OCCCNC(=O)C1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001584865605 1282178916 /nfs/dbraw/zinc/17/89/16/1282178916.db2.gz SBINHLSNQYQYJD-UHFFFAOYSA-N -1 1 350.419 0.966 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@H](C)c2n[n-]c(C(=O)OCC)n2)cn1 ZINC001632567101 1282186540 /nfs/dbraw/zinc/18/65/40/1282186540.db2.gz BTCVLLXIRLQEFM-SNVBAGLBSA-N -1 1 350.379 0.705 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@H](C)c2nnc(C(=O)OCC)[n-]2)cn1 ZINC001632567101 1282186546 /nfs/dbraw/zinc/18/65/46/1282186546.db2.gz BTCVLLXIRLQEFM-SNVBAGLBSA-N -1 1 350.379 0.705 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[n-]2)cn1 ZINC001632567101 1282186548 /nfs/dbraw/zinc/18/65/48/1282186548.db2.gz BTCVLLXIRLQEFM-SNVBAGLBSA-N -1 1 350.379 0.705 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)n[n-]1 ZINC001632562349 1282187164 /nfs/dbraw/zinc/18/71/64/1282187164.db2.gz MAEGPMFYFCLQSF-MNOVXSKESA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)[n-]1 ZINC001632562349 1282187168 /nfs/dbraw/zinc/18/71/68/1282187168.db2.gz MAEGPMFYFCLQSF-MNOVXSKESA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)n1 ZINC001632562349 1282187173 /nfs/dbraw/zinc/18/71/73/1282187173.db2.gz MAEGPMFYFCLQSF-MNOVXSKESA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2coc3c2C(=O)NCCC3)n[n-]1 ZINC001632567449 1282187329 /nfs/dbraw/zinc/18/73/29/1282187329.db2.gz LUELJRFBGYFLHP-QMMMGPOBSA-N -1 1 361.358 0.741 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2coc3c2C(=O)NCCC3)[n-]1 ZINC001632567449 1282187335 /nfs/dbraw/zinc/18/73/35/1282187335.db2.gz LUELJRFBGYFLHP-QMMMGPOBSA-N -1 1 361.358 0.741 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2coc3c2C(=O)NCCC3)n1 ZINC001632567449 1282187341 /nfs/dbraw/zinc/18/73/41/1282187341.db2.gz LUELJRFBGYFLHP-QMMMGPOBSA-N -1 1 361.358 0.741 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2coc3c2C(=O)NCCC3)n[n-]1 ZINC001632567448 1282187515 /nfs/dbraw/zinc/18/75/15/1282187515.db2.gz LUELJRFBGYFLHP-MRVPVSSYSA-N -1 1 361.358 0.741 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2coc3c2C(=O)NCCC3)[n-]1 ZINC001632567448 1282187521 /nfs/dbraw/zinc/18/75/21/1282187521.db2.gz LUELJRFBGYFLHP-MRVPVSSYSA-N -1 1 361.358 0.741 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2coc3c2C(=O)NCCC3)n1 ZINC001632567448 1282187525 /nfs/dbraw/zinc/18/75/25/1282187525.db2.gz LUELJRFBGYFLHP-MRVPVSSYSA-N -1 1 361.358 0.741 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001632775632 1282206025 /nfs/dbraw/zinc/20/60/25/1282206025.db2.gz MKRFGFJCXKAESL-VIFPVBQESA-N -1 1 358.280 0.137 10 0 FCAEMM O=C([C@H]1CCN(Cc2ccccc2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183581 1282210254 /nfs/dbraw/zinc/21/02/54/1282210254.db2.gz PECZOAVGCAMDMJ-KBPBESRZSA-N -1 1 356.386 0.148 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001633270344 1282238195 /nfs/dbraw/zinc/23/81/95/1282238195.db2.gz KUSWUYKGKSVPHW-ZDUSSCGKSA-N -1 1 368.319 0.851 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC001585869967 1282249307 /nfs/dbraw/zinc/24/93/07/1282249307.db2.gz OTLQWUJNMBUOJV-LLVKDONJSA-N -1 1 350.400 0.616 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001633669759 1282263818 /nfs/dbraw/zinc/26/38/18/1282263818.db2.gz LWPFEFBMTLQZSI-RKDXNWHRSA-N -1 1 360.461 0.227 10 0 FCAEMM CC1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC2(CC1)OCCO2 ZINC001633895705 1282281800 /nfs/dbraw/zinc/28/18/00/1282281800.db2.gz OJETXGYANSESMM-UHFFFAOYSA-N -1 1 351.407 0.333 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OC)co1 ZINC001634287685 1282316063 /nfs/dbraw/zinc/31/60/63/1282316063.db2.gz CNXIWPVAVOMJCN-MNOVXSKESA-N -1 1 360.388 0.028 10 0 FCAEMM CSc1ncc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(=O)[n-]1 ZINC001586847008 1282317596 /nfs/dbraw/zinc/31/75/96/1282317596.db2.gz DRVMDLMWUNJZTC-NXSYQRQQSA-N -1 1 351.388 0.012 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(N2CCOCC2)CCCCC1 ZINC001587094559 1282330595 /nfs/dbraw/zinc/33/05/95/1282330595.db2.gz JBJIWPOFSXXVAX-UHFFFAOYSA-N -1 1 367.450 0.621 10 0 FCAEMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001587444556 1282357152 /nfs/dbraw/zinc/35/71/52/1282357152.db2.gz JWPMHBGKJITLSN-UHFFFAOYSA-N -1 1 359.423 0.876 10 0 FCAEMM COc1ccc(CN2CC[C@H](NC(=O)c3cnncc3[O-])C2=O)c(OC)c1 ZINC001634975802 1282369302 /nfs/dbraw/zinc/36/93/02/1282369302.db2.gz LTVXBQHIHJRWJW-AWEZNQCLSA-N -1 1 372.381 0.730 10 0 FCAEMM CN(Cc1nnc[nH]1)C(=O)c1cnc(I)c([O-])c1 ZINC001635163693 1282384969 /nfs/dbraw/zinc/38/49/69/1282384969.db2.gz CEJHEHOYOOASQX-UHFFFAOYSA-N -1 1 359.127 0.782 10 0 FCAEMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588032743 1282400122 /nfs/dbraw/zinc/40/01/22/1282400122.db2.gz KNXZJVQUCKVWKW-ZANVPECISA-N -1 1 352.391 0.642 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)n[n-]1 ZINC001635381490 1282400719 /nfs/dbraw/zinc/40/07/19/1282400719.db2.gz WMSRNPWCLPKRAE-SNVBAGLBSA-N -1 1 358.420 0.229 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)[n-]1 ZINC001635381490 1282400724 /nfs/dbraw/zinc/40/07/24/1282400724.db2.gz WMSRNPWCLPKRAE-SNVBAGLBSA-N -1 1 358.420 0.229 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)n1 ZINC001635381490 1282400727 /nfs/dbraw/zinc/40/07/27/1282400727.db2.gz WMSRNPWCLPKRAE-SNVBAGLBSA-N -1 1 358.420 0.229 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001635764736 1282431730 /nfs/dbraw/zinc/43/17/30/1282431730.db2.gz KHVRFAWIBPQGNJ-UKRRQHHQSA-N -1 1 356.382 0.949 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC001635764737 1282431980 /nfs/dbraw/zinc/43/19/80/1282431980.db2.gz KHVRFAWIBPQGNJ-ZFWWWQNUSA-N -1 1 356.382 0.949 10 0 FCAEMM COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)CCCc1nn[n-]n1 ZINC001636123531 1282461722 /nfs/dbraw/zinc/46/17/22/1282461722.db2.gz RKXXMKIPMZHHBZ-KRWDZBQOSA-N -1 1 371.401 0.620 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)C1CN(C(=O)C2CCCCC2)C1 ZINC001636321597 1282485266 /nfs/dbraw/zinc/48/52/66/1282485266.db2.gz GQQIDEYPHRSCHE-UHFFFAOYSA-N -1 1 374.441 0.910 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(C2)CCNC(=O)O3)o1 ZINC001636427107 1282501217 /nfs/dbraw/zinc/50/12/17/1282501217.db2.gz ZHQWVYKSSQTLPM-UHFFFAOYSA-N -1 1 371.415 0.681 10 0 FCAEMM CN(CCNC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001637484114 1282598426 /nfs/dbraw/zinc/59/84/26/1282598426.db2.gz PSHDXYOOPIMCAK-UHFFFAOYSA-N -1 1 352.391 0.500 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC001638337359 1282687155 /nfs/dbraw/zinc/68/71/55/1282687155.db2.gz JKNNBNYUTUXRSO-VPOLOUISSA-N -1 1 355.416 0.065 10 0 FCAEMM CC(C)(C)OC(=O)c1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)[nH]n1 ZINC001639026047 1282741557 /nfs/dbraw/zinc/74/15/57/1282741557.db2.gz VNBWLICPHRJFQW-SNVBAGLBSA-N -1 1 365.419 0.808 10 0 FCAEMM CC(C)c1nc([C@H](CO)NC(=O)CNC(=O)c2ncccc2[O-])cs1 ZINC001639389159 1282784530 /nfs/dbraw/zinc/78/45/30/1282784530.db2.gz MEOKCQUHDGBOAC-JTQLQIEISA-N -1 1 364.427 0.947 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2nnn3cc(C)[nH]c(=O)c23)[n-]c1=O ZINC001640132482 1282841531 /nfs/dbraw/zinc/84/15/31/1282841531.db2.gz PGYDAIVYAWVUBP-SECBINFHSA-N -1 1 371.357 0.620 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)n[n-]1 ZINC001640225330 1282847318 /nfs/dbraw/zinc/84/73/18/1282847318.db2.gz KPVZZPQMWHVXRD-MNOVXSKESA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)[n-]1 ZINC001640225330 1282847323 /nfs/dbraw/zinc/84/73/23/1282847323.db2.gz KPVZZPQMWHVXRD-MNOVXSKESA-N -1 1 351.407 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)CC)C2)n1 ZINC001640225330 1282847328 /nfs/dbraw/zinc/84/73/28/1282847328.db2.gz KPVZZPQMWHVXRD-MNOVXSKESA-N -1 1 351.407 0.807 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cccnc1N1CCCC1 ZINC001640262460 1282849989 /nfs/dbraw/zinc/84/99/89/1282849989.db2.gz SLJWMGRRMWAOMU-UHFFFAOYSA-N -1 1 355.398 0.829 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccnc(C(=O)OC)c2)o1 ZINC001642504750 1283016140 /nfs/dbraw/zinc/01/61/40/1283016140.db2.gz JKPQHSZAFBALFF-UHFFFAOYSA-N -1 1 353.356 0.299 10 0 FCAEMM C[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001682408805 1283591456 /nfs/dbraw/zinc/59/14/56/1283591456.db2.gz ZYZXBVHKNRRXLP-IQJOONFLSA-N -1 1 361.320 0.677 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001683595261 1284052597 /nfs/dbraw/zinc/05/25/97/1284052597.db2.gz WMBREGCULSQDPY-UONOGXRCSA-N -1 1 364.402 0.344 10 0 FCAEMM C/C=C(\C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001684366749 1284166148 /nfs/dbraw/zinc/16/61/48/1284166148.db2.gz WEZYMQFRPATQAN-WHKYXBHASA-N -1 1 358.402 0.399 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1(NC(N)=O)CC1 ZINC001702623629 1285757277 /nfs/dbraw/zinc/75/72/77/1285757277.db2.gz INNSKHXHMZTWSW-WDEREUQCSA-N -1 1 361.402 0.097 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)C=C1CCC1 ZINC001702714292 1285812950 /nfs/dbraw/zinc/81/29/50/1285812950.db2.gz YIGNLLVPUVXHTI-OCCSQVGLSA-N -1 1 360.414 0.143 10 0 FCAEMM Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])nn1 ZINC001702930838 1286007753 /nfs/dbraw/zinc/00/77/53/1286007753.db2.gz BEXCJALRRUENBR-RDBSUJKOSA-N -1 1 370.413 0.410 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CCC1 ZINC001702936872 1286011086 /nfs/dbraw/zinc/01/10/86/1286011086.db2.gz WLWUEDFLBOXBNF-AGIUHOORSA-N -1 1 372.425 0.565 10 0 FCAEMM CCn1c(=O)[nH]c2cc(C(=O)N(Cc3nn[n-]n3)CC(C)C)ccc2c1=O ZINC001593759099 1286214542 /nfs/dbraw/zinc/21/45/42/1286214542.db2.gz RSXHXRNUYJHEGP-UHFFFAOYSA-N -1 1 371.401 0.934 10 0 FCAEMM Cc1nc(CC2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)no1 ZINC001597029234 1286325674 /nfs/dbraw/zinc/32/56/74/1286325674.db2.gz BACANTXRLKJKSH-UHFFFAOYSA-N -1 1 359.386 0.690 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(N2CCOC2=O)cc1 ZINC001597216894 1286334606 /nfs/dbraw/zinc/33/46/06/1286334606.db2.gz MIEYAQSIRIRXPW-UHFFFAOYSA-N -1 1 370.365 0.790 10 0 FCAEMM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001597409175 1286343319 /nfs/dbraw/zinc/34/33/19/1286343319.db2.gz CTWUFJINGXKXID-UHFFFAOYSA-N -1 1 359.354 0.864 10 0 FCAEMM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001707044239 1286435862 /nfs/dbraw/zinc/43/58/62/1286435862.db2.gz HRZLMKNZKAVFBE-XNJGSVPQSA-N -1 1 366.466 0.578 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CCCS(C)(=O)=O ZINC001707191908 1286495967 /nfs/dbraw/zinc/49/59/67/1286495967.db2.gz JZFXPCCRQOARQV-QWHCGFSZSA-N -1 1 355.460 0.805 10 0 FCAEMM CC(C)CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001707270457 1287130311 /nfs/dbraw/zinc/13/03/11/1287130311.db2.gz QPXGOUZSKCHFHZ-MCIONIFRSA-N -1 1 353.467 0.639 10 0 FCAEMM C[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001736095915 1289141382 /nfs/dbraw/zinc/14/13/82/1289141382.db2.gz WRWWVYOESFLZSG-SDDRHHMPSA-N -1 1 369.443 0.235 10 0 FCAEMM CCCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](OCC)C1 ZINC001736138319 1289169439 /nfs/dbraw/zinc/16/94/39/1289169439.db2.gz YZJCZVPNQAOYNG-UKRRQHHQSA-N -1 1 365.430 0.807 10 0 FCAEMM COCCO[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001735702849 1288775759 /nfs/dbraw/zinc/77/57/59/1288775759.db2.gz HSUSLYGKQYKOHQ-HZSPNIEDSA-N -1 1 363.414 0.512 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCCN(CC)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001737293053 1289526322 /nfs/dbraw/zinc/52/63/22/1289526322.db2.gz FGOJAKTWZLHGSX-VXGBXAGGSA-N -1 1 360.418 0.432 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CN2CCCCS2(=O)=O)[n-]c1Cl ZINC001610904746 1289618461 /nfs/dbraw/zinc/61/84/61/1289618461.db2.gz ZRXMXSOUGOVGDU-UHFFFAOYSA-N -1 1 364.811 0.604 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nnc(C4CC4)s3)cc2S1(=O)=O ZINC001611337686 1289643052 /nfs/dbraw/zinc/64/30/52/1289643052.db2.gz MSXUYSPERDSIDF-UHFFFAOYSA-N -1 1 354.417 0.498 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCC(=O)Nc1ccc(F)c(F)c1 ZINC001616020491 1289767865 /nfs/dbraw/zinc/76/78/65/1289767865.db2.gz OKDLZERBRLZLJX-UHFFFAOYSA-N -1 1 364.308 0.550 10 0 FCAEMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001617438347 1289841874 /nfs/dbraw/zinc/84/18/74/1289841874.db2.gz UBUKOBQUIOSGFO-KKOKHZNYSA-N -1 1 355.416 0.837 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[nH]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001617641948 1289852338 /nfs/dbraw/zinc/85/23/38/1289852338.db2.gz HVJCNCCDMXOKPA-OUAUKWLOSA-N -1 1 366.447 0.459 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001617641948 1289852349 /nfs/dbraw/zinc/85/23/49/1289852349.db2.gz HVJCNCCDMXOKPA-OUAUKWLOSA-N -1 1 366.447 0.459 10 0 FCAEMM O=C(c1ccc(OCC(F)(F)F)o1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703179 1289858349 /nfs/dbraw/zinc/85/83/49/1289858349.db2.gz MTGZSTBMCYNXJV-UHFFFAOYSA-N -1 1 361.280 0.858 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001617899610 1289871155 /nfs/dbraw/zinc/87/11/55/1289871155.db2.gz BYPHQENPXNXJDF-BLLLJJGKSA-N -1 1 363.414 0.201 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001739394452 1289905420 /nfs/dbraw/zinc/90/54/20/1289905420.db2.gz YGBXEJNOYJVNAY-BFHYXJOUSA-N -1 1 360.414 0.375 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3cn(CC)nn3)CC2)n1 ZINC001618409320 1289905405 /nfs/dbraw/zinc/90/54/05/1289905405.db2.gz NKYYAPCQABCLDU-UHFFFAOYSA-N -1 1 361.406 0.542 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC001621421789 1290033955 /nfs/dbraw/zinc/03/39/55/1290033955.db2.gz FEKNFZLZPAAGMS-UHFFFAOYSA-N -1 1 351.370 0.518 10 0 FCAEMM C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001739502920 1290076632 /nfs/dbraw/zinc/07/66/32/1290076632.db2.gz RCKWTBSCQLUGLD-HZSPNIEDSA-N -1 1 363.414 0.560 10 0 FCAEMM NC(=O)CN1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC1 ZINC001622348169 1290122479 /nfs/dbraw/zinc/12/24/79/1290122479.db2.gz HEBMSGIGKDSYOZ-UHFFFAOYSA-N -1 1 357.366 0.708 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001623213171 1290206815 /nfs/dbraw/zinc/20/68/15/1290206815.db2.gz KOIPNWRGGXOJQC-QMMMGPOBSA-N -1 1 352.757 0.847 10 0 FCAEMM C[C@H]1CO[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC001624543697 1290279256 /nfs/dbraw/zinc/27/92/56/1290279256.db2.gz YFBHKLFMUMRAOA-ABAIWWIYSA-N -1 1 370.427 0.777 10 0 FCAEMM CN(C)C(=O)C=CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786014 1290296145 /nfs/dbraw/zinc/29/61/45/1290296145.db2.gz NJTZHAZXVGHHNK-URWSZGRFSA-N -1 1 352.757 0.842 10 0 FCAEMM COC(=O)N1CCN(c2ccc(NC(=O)CCc3nn[n-]n3)cn2)CC1 ZINC001624779425 1290296343 /nfs/dbraw/zinc/29/63/43/1290296343.db2.gz MCJWBFIIVAOJJE-UHFFFAOYSA-N -1 1 360.378 0.054 10 0 FCAEMM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739654641 1290307190 /nfs/dbraw/zinc/30/71/90/1290307190.db2.gz BPODFRGIGIQWSF-YPMHNXCESA-N -1 1 351.403 0.151 10 0 FCAEMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1c[n-]ncc1=O ZINC001625344057 1290335353 /nfs/dbraw/zinc/33/53/53/1290335353.db2.gz RDVASJLNFBOHAI-OAHLLOKOSA-N -1 1 352.354 0.452 10 0 FCAEMM COc1c(F)cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c(N)c1F ZINC001626047080 1290371949 /nfs/dbraw/zinc/37/19/49/1290371949.db2.gz YEFXGAVUQRAQSV-UHFFFAOYSA-N -1 1 354.317 0.193 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC001626328632 1290389373 /nfs/dbraw/zinc/38/93/73/1290389373.db2.gz QOUQXUBCDIVVKC-SWLSCSKDSA-N -1 1 358.398 0.291 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC001626328630 1290390155 /nfs/dbraw/zinc/39/01/55/1290390155.db2.gz QOUQXUBCDIVVKC-DOMZBBRYSA-N -1 1 358.398 0.291 10 0 FCAEMM CN(C[C@@]1(O)CCc2ccccc21)C(=O)CNC(=O)c1ncccc1[O-] ZINC001627247746 1290447701 /nfs/dbraw/zinc/44/77/01/1290447701.db2.gz NDPKEBBOVBPIMN-IBGZPJMESA-N -1 1 355.394 0.809 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001627858053 1290490509 /nfs/dbraw/zinc/49/05/09/1290490509.db2.gz MIVQCWNMWXRWSJ-LPEHRKFASA-N -1 1 354.325 0.359 10 0 FCAEMM COc1ccc(NC(=O)c2cnncc2[O-])cc1S(=O)(=O)NC1CC1 ZINC001628399290 1290530996 /nfs/dbraw/zinc/53/09/96/1290530996.db2.gz PUZVBMBZHLPCKG-UHFFFAOYSA-N -1 1 364.383 0.884 10 0 FCAEMM Cn1cc([C@H]2C[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])CCO2)cn1 ZINC001628572792 1290541569 /nfs/dbraw/zinc/54/15/69/1290541569.db2.gz MCACVOKHAVINIC-GXTWGEPZSA-N -1 1 359.386 0.287 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001628673100 1290548909 /nfs/dbraw/zinc/54/89/09/1290548909.db2.gz VGJQMFZKVMCZSS-LBPRGKRZSA-N -1 1 372.381 0.931 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001628717801 1290551103 /nfs/dbraw/zinc/55/11/03/1290551103.db2.gz HJFIPTRBLPPIFZ-ZETCQYMHSA-N -1 1 368.440 0.918 10 0 FCAEMM CN(CC(F)F)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001628863077 1290559317 /nfs/dbraw/zinc/55/93/17/1290559317.db2.gz AAIGGABBCGZIIZ-UHFFFAOYSA-N -1 1 356.373 0.705 10 0 FCAEMM CSc1ncc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c(=O)[n-]1 ZINC001628986811 1290567831 /nfs/dbraw/zinc/56/78/31/1290567831.db2.gz OKLZYRNQXKTDFQ-SNVBAGLBSA-N -1 1 354.457 0.945 10 0 FCAEMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001629863857 1290628895 /nfs/dbraw/zinc/62/88/95/1290628895.db2.gz LWUDRKHWIGPGQP-NSHDSACASA-N -1 1 361.329 0.583 10 0 FCAEMM CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2nc([O-])cc(=O)[nH]2)C1=O ZINC001630646983 1290685680 /nfs/dbraw/zinc/68/56/80/1290685680.db2.gz QONWDOXDCGGULO-GOSISDBHSA-N -1 1 356.382 0.595 10 0 FCAEMM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643387627 1290882447 /nfs/dbraw/zinc/88/24/47/1290882447.db2.gz SLAJQDHJRBIMDN-RYUDHWBXSA-N -1 1 368.438 0.834 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)o1 ZINC001643877941 1290923187 /nfs/dbraw/zinc/92/31/87/1290923187.db2.gz MILFZQVDIYTTCZ-ZDUSSCGKSA-N -1 1 355.416 0.304 10 0 FCAEMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC001643899432 1290924000 /nfs/dbraw/zinc/92/40/00/1290924000.db2.gz OWAYDPYQOJSWRQ-CYBMUJFWSA-N -1 1 368.434 0.873 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001644128018 1290941132 /nfs/dbraw/zinc/94/11/32/1290941132.db2.gz UWUCUJHWRUWRTI-VIFPVBQESA-N -1 1 371.415 0.637 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(c2cnc3ccccc3n2)C1 ZINC001644758498 1290982614 /nfs/dbraw/zinc/98/26/14/1290982614.db2.gz LFHSFAXVFGNRBG-UHFFFAOYSA-N -1 1 351.366 0.496 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CCC(=O)N2CCOCC2)[n-]c1=O ZINC001645225345 1291009086 /nfs/dbraw/zinc/00/90/86/1291009086.db2.gz YTTSIXIOOGGHOM-UHFFFAOYSA-N -1 1 352.391 0.181 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1c(F)ccc([O-])c1F ZINC001645679003 1291039082 /nfs/dbraw/zinc/03/90/82/1291039082.db2.gz DYAAEGUENZJXOR-UHFFFAOYSA-N -1 1 356.372 0.458 10 0 FCAEMM CCOC(=O)[C@@]1(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)CCCOC1 ZINC001648039806 1291099097 /nfs/dbraw/zinc/09/90/97/1291099097.db2.gz OEHNANZWRPNCFX-OAHLLOKOSA-N -1 1 374.415 0.277 10 0 FCAEMM Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001648403104 1291119859 /nfs/dbraw/zinc/11/98/59/1291119859.db2.gz WJIHTFCKWQLAAA-STQMWFEESA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001648403104 1291119863 /nfs/dbraw/zinc/11/98/63/1291119863.db2.gz WJIHTFCKWQLAAA-STQMWFEESA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1)C2=O ZINC001648468952 1291122915 /nfs/dbraw/zinc/12/29/15/1291122915.db2.gz SJEPPWPZVXKXOZ-ZWNOBZJWSA-N -1 1 370.369 0.093 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1 ZINC001648468886 1291123782 /nfs/dbraw/zinc/12/37/82/1291123782.db2.gz PWAHPXJUHKFUOO-QJPTWQEYSA-N -1 1 351.407 0.858 10 0 FCAEMM COc1cnc([C@@H]2CCCN2Cc2coc(S(N)(=O)=O)c2)[n-]c1=O ZINC001648550884 1291128876 /nfs/dbraw/zinc/12/88/76/1291128876.db2.gz OUMPSEKZMHPOFA-JTQLQIEISA-N -1 1 354.388 0.768 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)n[n-]1 ZINC001648716772 1291137595 /nfs/dbraw/zinc/13/75/95/1291137595.db2.gz FLYSKJJOTGHHKF-MNOVXSKESA-N -1 1 368.390 0.298 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)n1 ZINC001648716772 1291137599 /nfs/dbraw/zinc/13/75/99/1291137599.db2.gz FLYSKJJOTGHHKF-MNOVXSKESA-N -1 1 368.390 0.298 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2c(CC(N)=O)cccc2C1 ZINC001648724633 1291138749 /nfs/dbraw/zinc/13/87/49/1291138749.db2.gz TVVKCVWPPLJXFS-UHFFFAOYSA-N -1 1 358.354 0.123 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cnn(-c2ccccc2)n1 ZINC001650749289 1291178074 /nfs/dbraw/zinc/17/80/74/1291178074.db2.gz SZDAKGAZYBDUKI-UHFFFAOYSA-N -1 1 352.354 0.766 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cncc(N3CCCC3=O)c2)n[n-]1 ZINC001650943763 1291188072 /nfs/dbraw/zinc/18/80/72/1291188072.db2.gz LZZCCUPMXIJDNN-UHFFFAOYSA-N -1 1 358.358 0.433 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cncc(N3CCCC3=O)c2)n1 ZINC001650943763 1291188076 /nfs/dbraw/zinc/18/80/76/1291188076.db2.gz LZZCCUPMXIJDNN-UHFFFAOYSA-N -1 1 358.358 0.433 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)n[n-]1 ZINC001650944147 1291188778 /nfs/dbraw/zinc/18/87/78/1291188778.db2.gz SLIPTVLLAYOBNI-MRXNPFEDSA-N -1 1 359.342 0.387 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)n1 ZINC001650944147 1291188781 /nfs/dbraw/zinc/18/87/81/1291188781.db2.gz SLIPTVLLAYOBNI-MRXNPFEDSA-N -1 1 359.342 0.387 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cnc3ccnn3c2C(F)F)n[n-]1 ZINC001650944407 1291188954 /nfs/dbraw/zinc/18/89/54/1291188954.db2.gz WXQWSEPSMQVNSM-UHFFFAOYSA-N -1 1 365.300 0.892 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc3ccnn3c2C(F)F)n1 ZINC001650944407 1291188957 /nfs/dbraw/zinc/18/89/57/1291188957.db2.gz WXQWSEPSMQVNSM-UHFFFAOYSA-N -1 1 365.300 0.892 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)n[n-]1 ZINC001650944452 1291189217 /nfs/dbraw/zinc/18/92/17/1291189217.db2.gz XXJFGDVDAZWPEZ-UHFFFAOYSA-N -1 1 370.369 0.316 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cn2c(C)nc3ccccc3c2=O)n1 ZINC001650944452 1291189219 /nfs/dbraw/zinc/18/92/19/1291189219.db2.gz XXJFGDVDAZWPEZ-UHFFFAOYSA-N -1 1 370.369 0.316 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC001651180676 1291202224 /nfs/dbraw/zinc/20/22/24/1291202224.db2.gz JUWLTJVOIVTZFW-QGZVFWFLSA-N -1 1 371.401 0.553 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)C(=O)N1CCN(c2ccccc2)CC1 ZINC001651218236 1291207910 /nfs/dbraw/zinc/20/79/10/1291207910.db2.gz GJPRSZIQBXCNMK-UHFFFAOYSA-N -1 1 355.402 0.044 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(O)cc2)[n-]c1=O ZINC001651254264 1291212140 /nfs/dbraw/zinc/21/21/40/1291212140.db2.gz FSNYDCVAIMEFAB-ZDUSSCGKSA-N -1 1 372.381 0.990 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001651348790 1291217649 /nfs/dbraw/zinc/21/76/49/1291217649.db2.gz BNQBMYIODBIRRW-UHFFFAOYSA-N -1 1 371.802 0.531 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(OC)c(Br)n1)c1nn[n-]n1 ZINC001651846841 1291243598 /nfs/dbraw/zinc/24/35/98/1291243598.db2.gz OPVSFXKOKZAEIB-ZETCQYMHSA-N -1 1 357.168 0.483 10 0 FCAEMM O=C(CN1Cc2ccccc2OC1=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651874761 1291247233 /nfs/dbraw/zinc/24/72/33/1291247233.db2.gz QYNRTYNWDBLVDL-GFCCVEGCSA-N -1 1 356.386 0.995 10 0 FCAEMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N[C@H]1CCS(=O)(=O)C1 ZINC001652873892 1291306757 /nfs/dbraw/zinc/30/67/57/1291306757.db2.gz VMBKIZBHFYISEE-LURJTMIESA-N -1 1 353.372 0.515 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@@H]2CCCS2(=O)=O)[n-]c1=O ZINC001653333957 1291336799 /nfs/dbraw/zinc/33/67/99/1291336799.db2.gz VBCGXTCDXHZDRJ-QWRGUYRKSA-N -1 1 355.416 0.822 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@H]2CCCS2(=O)=O)[n-]c1=O ZINC001653333956 1291336975 /nfs/dbraw/zinc/33/69/75/1291336975.db2.gz VBCGXTCDXHZDRJ-MNOVXSKESA-N -1 1 355.416 0.822 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)COC2CCCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656970836 1291584664 /nfs/dbraw/zinc/58/46/64/1291584664.db2.gz RGFNVCDZSAIOCO-OCCSQVGLSA-N -1 1 351.451 0.537 10 0 FCAEMM COCCS(=O)(=O)CCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001660522163 1291662772 /nfs/dbraw/zinc/66/27/72/1291662772.db2.gz LITYZBWOCONQLW-LBPRGKRZSA-N -1 1 359.448 0.779 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NCCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001660887354 1291674175 /nfs/dbraw/zinc/67/41/75/1291674175.db2.gz GSVCIJHWJDSALL-GJZGRUSLSA-N -1 1 362.478 0.570 10 0 FCAEMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001667107761 1291928309 /nfs/dbraw/zinc/92/83/09/1291928309.db2.gz HDFWLOKJDBSHKZ-MELADBBJSA-N -1 1 361.450 0.668 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CCO)C1CCCC1 ZINC001675457014 1292177544 /nfs/dbraw/zinc/17/75/44/1292177544.db2.gz YBROJFWXHWMYAA-CYBMUJFWSA-N -1 1 350.419 0.995 10 0 FCAEMM O=C(NCc1cnn(CCF)c1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001675456994 1292177727 /nfs/dbraw/zinc/17/77/27/1292177727.db2.gz XRBIVDBOYOAMCY-UHFFFAOYSA-N -1 1 350.354 0.420 10 0 FCAEMM CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001684780797 1292335365 /nfs/dbraw/zinc/33/53/65/1292335365.db2.gz JJZQPFCJJWUKLC-BXUZGUMPSA-N -1 1 360.418 0.575 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COCCCOC ZINC001684905917 1292360087 /nfs/dbraw/zinc/36/00/87/1292360087.db2.gz CXFSWYKSZKMULN-UONOGXRCSA-N -1 1 365.430 0.950 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@]1(C)CCNC1=O ZINC001685786555 1292635193 /nfs/dbraw/zinc/63/51/93/1292635193.db2.gz SQKPHZDLACWOSO-SEDUGSJDSA-N -1 1 360.414 0.138 10 0 FCAEMM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001686042783 1292743465 /nfs/dbraw/zinc/74/34/65/1292743465.db2.gz WRULVMCOYFYPQB-MQYQWHSLSA-N -1 1 374.441 0.797 10 0 FCAEMM COCC[C@H](COC)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000383292162 836052644 /nfs/dbraw/zinc/05/26/44/836052644.db2.gz AKPPIMLSLNWKIB-SECBINFHSA-N -1 1 370.269 0.821 10 0 FCAEMM COc1cc(=NS(=O)(=O)c2nc(C)n(C)c2Br)[n-]n1C ZINC000383605768 836052672 /nfs/dbraw/zinc/05/26/72/836052672.db2.gz KLOSXEOWRBGZBQ-UHFFFAOYSA-N -1 1 364.225 0.456 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000749278069 836353943 /nfs/dbraw/zinc/35/39/43/836353943.db2.gz HBPZTWOGQNCPMS-DTWKUNHWSA-N -1 1 356.325 0.940 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001118344795 847391629 /nfs/dbraw/zinc/39/16/29/847391629.db2.gz DVLMUCMJSISDJB-ZIQFBCGOSA-N -1 1 361.364 0.959 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@H]2CCCS2)CC1 ZINC001119638850 847919294 /nfs/dbraw/zinc/91/92/94/847919294.db2.gz UZDTUSZTKMTYAP-CQSZACIVSA-N -1 1 358.508 0.616 10 0 FCAEMM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)CN2CCC(CO)CC2)c1 ZINC001123388663 848590063 /nfs/dbraw/zinc/59/00/63/848590063.db2.gz FRMKJEZJGCFERW-QGZVFWFLSA-N -1 1 350.415 0.984 10 0 FCAEMM CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001123910469 848653584 /nfs/dbraw/zinc/65/35/84/848653584.db2.gz PJHLGZLQKDEBLZ-UHFFFAOYSA-N -1 1 361.789 0.988 10 0 FCAEMM COc1ccc(NC(=O)[C@@H]2CCCN(C)C2=O)cc1[N-]S(C)(=O)=O ZINC001136149709 849208788 /nfs/dbraw/zinc/20/87/88/849208788.db2.gz VPELYYOAYBTODG-NSHDSACASA-N -1 1 355.416 0.874 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC001136500530 849225259 /nfs/dbraw/zinc/22/52/59/849225259.db2.gz RJZXDOFQEZRVAB-UHFFFAOYSA-N -1 1 354.413 0.820 10 0 FCAEMM CCC[C@@H](NC(=O)Cc1sc(CS(C)(=O)=O)nc1C)c1nn[n-]n1 ZINC001137206155 849258814 /nfs/dbraw/zinc/25/88/14/849258814.db2.gz IFJHDLIYFCKUPL-SECBINFHSA-N -1 1 372.476 0.709 10 0 FCAEMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CC1CS(=O)(=O)C1 ZINC001137819375 849285680 /nfs/dbraw/zinc/28/56/80/849285680.db2.gz SANQLRSRMMPORF-UHFFFAOYSA-N -1 1 350.393 0.570 10 0 FCAEMM O=C(c1ccnc(-c2ccccn2)n1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001138438622 849311426 /nfs/dbraw/zinc/31/14/26/849311426.db2.gz XNPCTEFLEUCEBE-GFCCVEGCSA-N -1 1 354.399 0.982 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)o1 ZINC001149139647 849630366 /nfs/dbraw/zinc/63/03/66/849630366.db2.gz ZCQWVGKZWJQTGM-UHFFFAOYSA-N -1 1 368.371 0.369 10 0 FCAEMM COC(=O)CN(CCC(F)(F)F)C(=O)CNC(=O)c1ncccc1[O-] ZINC001149462839 849640178 /nfs/dbraw/zinc/64/01/78/849640178.db2.gz FJXSRPWOXQQAOL-UHFFFAOYSA-N -1 1 363.292 0.471 10 0 FCAEMM CSc1ncc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(=O)[n-]1 ZINC001175390384 850764033 /nfs/dbraw/zinc/76/40/33/850764033.db2.gz VICDVNZINUWCAE-UHFFFAOYSA-N -1 1 350.322 0.655 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001176594591 850792804 /nfs/dbraw/zinc/79/28/04/850792804.db2.gz RIVRVXUUKYCAJR-UHFFFAOYSA-N -1 1 370.410 0.302 10 0 FCAEMM COC[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1nn[n-]n1 ZINC001177829118 850871158 /nfs/dbraw/zinc/87/11/58/850871158.db2.gz VZIUVBLJCPDQMB-SECBINFHSA-N -1 1 366.179 0.956 10 0 FCAEMM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177867345 850874930 /nfs/dbraw/zinc/87/49/30/850874930.db2.gz YCHNYLNRYFZAGL-SECBINFHSA-N -1 1 370.460 0.312 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@]3(CO)CCCC[C@@]3(CO)C2)o1 ZINC001179831605 851000296 /nfs/dbraw/zinc/00/02/96/851000296.db2.gz FSTSQEFOXFRFGV-IYBDPMFKSA-N -1 1 372.443 0.175 10 0 FCAEMM COc1ccc(CN2CC[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC001182523587 851177320 /nfs/dbraw/zinc/17/73/20/851177320.db2.gz AQRCAXBCQDDYIN-GFCCVEGCSA-N -1 1 365.415 0.430 10 0 FCAEMM COc1ccc(CN2CC[C@@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC001182523587 851177329 /nfs/dbraw/zinc/17/73/29/851177329.db2.gz AQRCAXBCQDDYIN-GFCCVEGCSA-N -1 1 365.415 0.430 10 0 FCAEMM CO[C@@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCSC1 ZINC001254496916 857975077 /nfs/dbraw/zinc/97/50/77/857975077.db2.gz OXUFEBBWUJNSDG-OAHLLOKOSA-N -1 1 354.432 0.576 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001261481858 858563571 /nfs/dbraw/zinc/56/35/71/858563571.db2.gz RJLWSELWAGPDIV-GWCFXTLKSA-N -1 1 369.443 0.624 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001261481861 858563611 /nfs/dbraw/zinc/56/36/11/858563611.db2.gz RJLWSELWAGPDIV-ZWNOBZJWSA-N -1 1 369.443 0.624 10 0 FCAEMM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001262144044 858792722 /nfs/dbraw/zinc/79/27/22/858792722.db2.gz LSVIUIUNXPPQBL-GPCCPHFNSA-N -1 1 365.352 0.197 10 0 FCAEMM O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001263911078 859237400 /nfs/dbraw/zinc/23/74/00/859237400.db2.gz AEDZGUXDQQQIIQ-JTQLQIEISA-N -1 1 357.340 0.982 10 0 FCAEMM O=C(NCCNS(=O)(=O)c1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC001292406154 865741402 /nfs/dbraw/zinc/74/14/02/865741402.db2.gz IIVSDRYKSSGMNK-UHFFFAOYSA-N -1 1 362.411 0.768 10 0 FCAEMM O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc([O-])c1F ZINC001293903185 865812606 /nfs/dbraw/zinc/81/26/06/865812606.db2.gz UATPMSASCRAXTN-GFCCVEGCSA-N -1 1 351.378 0.194 10 0 FCAEMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001295523692 865902910 /nfs/dbraw/zinc/90/29/10/865902910.db2.gz BKQBAWAPVHHAGI-NWDGAFQWSA-N -1 1 368.411 0.971 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC001297176067 866011766 /nfs/dbraw/zinc/01/17/66/866011766.db2.gz OJJLEIFVNYEKKX-SNVBAGLBSA-N -1 1 357.336 0.907 10 0 FCAEMM O=C(CC1C(=O)N=CNC1=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001297239693 866016371 /nfs/dbraw/zinc/01/63/71/866016371.db2.gz FROHMDKOFUYQDR-UHFFFAOYSA-N -1 1 362.308 0.347 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC001297937326 866069889 /nfs/dbraw/zinc/06/98/89/866069889.db2.gz JCKMOTYAKMCTDM-WDEREUQCSA-N -1 1 352.441 0.810 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001297937321 866069991 /nfs/dbraw/zinc/06/99/91/866069991.db2.gz JCKMOTYAKMCTDM-MNOVXSKESA-N -1 1 352.441 0.810 10 0 FCAEMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(=O)N=S(C)(C)=O ZINC001299746352 866193833 /nfs/dbraw/zinc/19/38/33/866193833.db2.gz RQWRNYUEHWNJQL-UHFFFAOYSA-N -1 1 365.415 0.535 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CNC(=O)c2ccsc2)n[n-]1 ZINC001300601983 866229309 /nfs/dbraw/zinc/22/93/09/866229309.db2.gz JYDZMUKFHQLZAZ-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CNC(=O)c2ccsc2)[n-]1 ZINC001300601983 866229324 /nfs/dbraw/zinc/22/93/24/866229324.db2.gz JYDZMUKFHQLZAZ-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CNC(=O)c2ccsc2)n1 ZINC001300601983 866229340 /nfs/dbraw/zinc/22/93/40/866229340.db2.gz JYDZMUKFHQLZAZ-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001302137900 866310883 /nfs/dbraw/zinc/31/08/83/866310883.db2.gz SZVWUMNDDQRZOI-LBPRGKRZSA-N -1 1 357.399 0.888 10 0 FCAEMM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001302257366 866317272 /nfs/dbraw/zinc/31/72/72/866317272.db2.gz QABRTFTWWIFFBZ-JTQLQIEISA-N -1 1 361.803 0.848 10 0 FCAEMM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001302257367 866318037 /nfs/dbraw/zinc/31/80/37/866318037.db2.gz QABRTFTWWIFFBZ-SNVBAGLBSA-N -1 1 361.803 0.848 10 0 FCAEMM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1)N(C)C ZINC001303209225 866392195 /nfs/dbraw/zinc/39/21/95/866392195.db2.gz MPVSNPBFQMLWPI-GFCCVEGCSA-N -1 1 367.435 0.290 10 0 FCAEMM O=C([O-])C12CCC(C(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)(CC1)C2 ZINC001349997417 866487196 /nfs/dbraw/zinc/48/71/96/866487196.db2.gz QFIZTEQFRNWYEP-RXOFBLNVSA-N -1 1 352.431 0.363 10 0 FCAEMM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CO1 ZINC001350612980 866643416 /nfs/dbraw/zinc/64/34/16/866643416.db2.gz WGPLNSCGXHSYMT-CVEARBPZSA-N -1 1 354.447 0.827 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)C[C@@H]3CSCCS3)CC2)CCOC1 ZINC001351729551 866954151 /nfs/dbraw/zinc/95/41/51/866954151.db2.gz OQUXOECJIFUIPX-DOMZBBRYSA-N -1 1 360.501 0.613 10 0 FCAEMM CC(C)c1nc([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n[nH]1 ZINC001318296722 867636617 /nfs/dbraw/zinc/63/66/17/867636617.db2.gz BUZAEMLPECCXGZ-UHFFFAOYSA-N -1 1 369.403 0.794 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCN(CC)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001356229638 867960423 /nfs/dbraw/zinc/96/04/23/867960423.db2.gz UIONHXPVNPDXHY-NXEZZACHSA-N -1 1 352.391 0.521 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001357031567 868069849 /nfs/dbraw/zinc/06/98/49/868069849.db2.gz CMDGUYHDWKWONW-IVZWLZJFSA-N -1 1 352.391 0.425 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@H](O)C(F)(F)F ZINC001326234915 870221086 /nfs/dbraw/zinc/22/10/86/870221086.db2.gz VDNZUAPAWKRPIU-VIFPVBQESA-N -1 1 357.292 0.530 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001326348131 870268380 /nfs/dbraw/zinc/26/83/80/870268380.db2.gz MWLHWGGDKIXWED-INIZCTEOSA-N -1 1 369.443 0.644 10 0 FCAEMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001326383676 870287037 /nfs/dbraw/zinc/28/70/37/870287037.db2.gz UCIAONSNWYJOAL-GFCCVEGCSA-N -1 1 364.280 0.037 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nnn[n-]2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001344588405 870946081 /nfs/dbraw/zinc/94/60/81/870946081.db2.gz WIBRMESWWXTADH-TUAOUCFPSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nn[n-]n2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001344588405 870946095 /nfs/dbraw/zinc/94/60/95/870946095.db2.gz WIBRMESWWXTADH-TUAOUCFPSA-N -1 1 362.463 0.827 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1ccnn1C ZINC001345762486 871483778 /nfs/dbraw/zinc/48/37/78/871483778.db2.gz KWWUNZYCZNVDBY-JTQLQIEISA-N -1 1 366.321 0.960 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001328569127 871511649 /nfs/dbraw/zinc/51/16/49/871511649.db2.gz QKKCRYRPGHMXDX-CQSZACIVSA-N -1 1 368.440 0.048 10 0 FCAEMM O=C(N1CC[C@@H](c2nn[n-]n2)C1)C1(n2cc(Br)cn2)CC1 ZINC001347974722 872548452 /nfs/dbraw/zinc/54/84/52/872548452.db2.gz MYFOZEXNAZMWIZ-MRVPVSSYSA-N -1 1 352.196 0.664 10 0 FCAEMM C[C@H]1CCC[C@H](CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])O1 ZINC001332103152 873373878 /nfs/dbraw/zinc/37/38/78/873373878.db2.gz LFWVNBIJDLFZLF-LSDHHAIUSA-N -1 1 356.467 0.288 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@]2(C)CC2(F)F)CC1 ZINC001332578904 873564647 /nfs/dbraw/zinc/56/46/47/873564647.db2.gz KUIWETKNJAOBLX-OAHLLOKOSA-N -1 1 362.421 0.765 10 0 FCAEMM CC1(C)OC[C@H](CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)O1 ZINC001332996421 873753246 /nfs/dbraw/zinc/75/32/46/873753246.db2.gz FJOAHTQPWJBLMO-JTQLQIEISA-N -1 1 358.341 0.597 10 0 FCAEMM CC(C)[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000285873236 213409585 /nfs/dbraw/zinc/40/95/85/213409585.db2.gz VZYFTUGOVSKRCR-CQSZACIVSA-N -1 1 358.416 0.369 10 0 FCAEMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000367988429 216188729 /nfs/dbraw/zinc/18/87/29/216188729.db2.gz KPDSEDVVRKANSR-UHFFFAOYSA-N -1 1 374.445 0.627 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)co1 ZINC000369030868 216334005 /nfs/dbraw/zinc/33/40/05/216334005.db2.gz ZIVWMHKGLAJPGU-GAFUQQFSSA-N -1 1 356.400 0.601 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188550953 209231772 /nfs/dbraw/zinc/23/17/72/209231772.db2.gz IRLXIGBIHUNOKI-UHFFFAOYSA-N -1 1 357.414 0.309 10 0 FCAEMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000276146272 212171877 /nfs/dbraw/zinc/17/18/77/212171877.db2.gz CFZYRRUYUHZOLD-WPRPVWTQSA-N -1 1 357.457 0.844 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cn1C ZINC000275682492 212072349 /nfs/dbraw/zinc/07/23/49/212072349.db2.gz ONILVZQVLDMLGC-UHFFFAOYSA-N -1 1 365.411 0.963 10 0 FCAEMM CCOC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275291740 212002048 /nfs/dbraw/zinc/00/20/48/212002048.db2.gz MDQXKZGECYDHCW-UHFFFAOYSA-N -1 1 370.427 0.644 10 0 FCAEMM CC[C@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@]2(CCOC2)O1 ZINC000373692588 217047391 /nfs/dbraw/zinc/04/73/91/217047391.db2.gz CVIUBEHORYDERW-WFASDCNBSA-N -1 1 358.416 0.598 10 0 FCAEMM O=C(/C=C/c1cncc(O)c1)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000182012025 209125126 /nfs/dbraw/zinc/12/51/26/209125126.db2.gz KIAIUSMJTJSTSW-SNAWJCMRSA-N -1 1 358.442 0.957 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cccc1S(N)(=O)=O ZINC000425297248 247318646 /nfs/dbraw/zinc/31/86/46/247318646.db2.gz HYAVAGDPGYUARC-JTQLQIEISA-N -1 1 366.399 0.751 10 0 FCAEMM O=C(N=c1nc(-c2ccccc2)[n-]s1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425824580 247396710 /nfs/dbraw/zinc/39/67/10/247396710.db2.gz YXANKILARQUYSF-LLVKDONJSA-N -1 1 369.410 0.700 10 0 FCAEMM COc1ccc(N2C[C@@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)c(OC)c1 ZINC000430320079 247692301 /nfs/dbraw/zinc/69/23/01/247692301.db2.gz LZLJPPZEPPTKBN-JTQLQIEISA-N -1 1 372.385 0.375 10 0 FCAEMM COc1cc(C(=O)NCCNS(=O)(=O)NC(C)C)cc(Cl)c1[O-] ZINC000430515002 247704614 /nfs/dbraw/zinc/70/46/14/247704614.db2.gz MWIYXAOVOQHYMB-UHFFFAOYSA-N -1 1 365.839 0.616 10 0 FCAEMM C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443257988 248317307 /nfs/dbraw/zinc/31/73/07/248317307.db2.gz RVWCSGJQTUWJSZ-BDAKNGLRSA-N -1 1 354.425 0.492 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2ccnn2C)o1 ZINC000470582020 250051072 /nfs/dbraw/zinc/05/10/72/250051072.db2.gz HWBCPKNUUOJRHN-UHFFFAOYSA-N -1 1 356.404 0.210 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000473283732 250214241 /nfs/dbraw/zinc/21/42/41/250214241.db2.gz OYOADGPSPHWPLP-UHFFFAOYSA-N -1 1 374.397 0.659 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(CC(F)F)CC1 ZINC000104049571 208180652 /nfs/dbraw/zinc/18/06/52/208180652.db2.gz PLIZMGSLQUURFA-UHFFFAOYSA-N -1 1 353.373 0.591 10 0 FCAEMM CCc1nc2n(n1)C[C@@H](NC(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CC2 ZINC000114873178 208318523 /nfs/dbraw/zinc/31/85/23/208318523.db2.gz RVGQEECNJMAJKU-LBPRGKRZSA-N -1 1 369.429 0.467 10 0 FCAEMM C[C@@](O)(CNC(=O)c1ccc(Br)cc1[O-])CN1CCOCC1 ZINC000176903700 209011198 /nfs/dbraw/zinc/01/11/98/209011198.db2.gz CAWNTSDBRXUJEV-OAHLLOKOSA-N -1 1 373.247 0.968 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178682916 209058284 /nfs/dbraw/zinc/05/82/84/209058284.db2.gz FAUKHWZOUWQFQJ-KXBFYZLASA-N -1 1 352.394 0.956 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC2(C)OCCCO2)c(Br)n1C ZINC000287614904 488887739 /nfs/dbraw/zinc/88/77/39/488887739.db2.gz ZYCJWLVWGMQFQG-UHFFFAOYSA-N -1 1 368.253 0.922 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC000328648444 488926609 /nfs/dbraw/zinc/92/66/09/488926609.db2.gz UOFGHGLVHKPFED-HNNXBMFYSA-N -1 1 358.446 1.079 10 0 FCAEMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000041626789 487835194 /nfs/dbraw/zinc/83/51/94/487835194.db2.gz JJHLLSSWBHVTFP-JHJVBQTASA-N -1 1 357.476 0.823 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)o1 ZINC000068533502 488366974 /nfs/dbraw/zinc/36/69/74/488366974.db2.gz IYHVBQGHXCKLQK-GFCCVEGCSA-N -1 1 363.395 0.723 10 0 FCAEMM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2n[nH]c3c2CNCC3)c1 ZINC000262814287 488594862 /nfs/dbraw/zinc/59/48/62/488594862.db2.gz VDZOZZGBKWAQTF-UHFFFAOYSA-N -1 1 350.400 0.807 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCCOC1 ZINC000263918621 488635832 /nfs/dbraw/zinc/63/58/32/488635832.db2.gz DESOKJDOSIQXKJ-GFCCVEGCSA-N -1 1 370.427 0.778 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000273315558 488643360 /nfs/dbraw/zinc/64/33/60/488643360.db2.gz PTALTSNVRBANPH-GXTWGEPZSA-N -1 1 370.402 0.409 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000131688732 488648315 /nfs/dbraw/zinc/64/83/15/488648315.db2.gz MJKAPFABBVFDNM-NSHDSACASA-N -1 1 369.429 0.987 10 0 FCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000273586312 488660638 /nfs/dbraw/zinc/66/06/38/488660638.db2.gz KWZCLWIMJLRDKE-MLRMMBSGSA-N -1 1 364.217 0.873 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cocn1 ZINC000264306701 488662132 /nfs/dbraw/zinc/66/21/32/488662132.db2.gz KRPFNGGEQNUKTL-UHFFFAOYSA-N -1 1 353.356 0.653 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151903924 488711536 /nfs/dbraw/zinc/71/15/36/488711536.db2.gz BJBXPBZFNAKCGU-UHFFFAOYSA-N -1 1 364.369 0.796 10 0 FCAEMM CCc1nc2n(n1)C[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)CC2 ZINC000151992029 488712697 /nfs/dbraw/zinc/71/26/97/488712697.db2.gz XYPHFZPXJRRRAW-JTQLQIEISA-N -1 1 353.404 0.086 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1C ZINC000274886326 488740609 /nfs/dbraw/zinc/74/06/09/488740609.db2.gz DZDJCEWAOXLENV-ZDUSSCGKSA-N -1 1 367.383 0.479 10 0 FCAEMM Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000274925412 488744403 /nfs/dbraw/zinc/74/44/03/488744403.db2.gz BWFIHPZYVOEBCH-JTQLQIEISA-N -1 1 362.839 0.535 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000274989495 488750910 /nfs/dbraw/zinc/75/09/10/488750910.db2.gz YVORNRXNIUJGMG-SNVBAGLBSA-N -1 1 373.362 0.540 10 0 FCAEMM COc1cc(OC)cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000275063517 488758126 /nfs/dbraw/zinc/75/81/26/488758126.db2.gz ZHWOIABHFFFVLG-OAHLLOKOSA-N -1 1 372.443 0.921 10 0 FCAEMM COc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1OC ZINC000275219191 488773801 /nfs/dbraw/zinc/77/38/01/488773801.db2.gz DCRJOQKWXOSXIR-UHFFFAOYSA-N -1 1 358.416 0.485 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)co1 ZINC000277809078 488789340 /nfs/dbraw/zinc/78/93/40/488789340.db2.gz GXMJYLAWEDLTOE-KCJUWKMLSA-N -1 1 370.349 0.963 10 0 FCAEMM C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C1(N2CCOCC2)CCCC1 ZINC000267884468 488827181 /nfs/dbraw/zinc/82/71/81/488827181.db2.gz QHYLYFVFLFDFAX-LBPRGKRZSA-N -1 1 350.419 0.249 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749827 488837555 /nfs/dbraw/zinc/83/75/55/488837555.db2.gz PCBHHIOXFOWXNB-HNNXBMFYSA-N -1 1 373.457 0.917 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000365013491 489029815 /nfs/dbraw/zinc/02/98/15/489029815.db2.gz JGFXOJQZJWGAEW-JSGCOSHPSA-N -1 1 372.385 0.110 10 0 FCAEMM COC(=O)Cc1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000290461311 489142457 /nfs/dbraw/zinc/14/24/57/489142457.db2.gz DOODXEGILFGYLX-UHFFFAOYSA-N -1 1 370.427 0.183 10 0 FCAEMM COC(C)(C)CS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000290815533 489167173 /nfs/dbraw/zinc/16/71/73/489167173.db2.gz SNCKZEHJNZTRAF-VIFPVBQESA-N -1 1 358.424 0.896 10 0 FCAEMM O=C(CNC(=O)OCc1ccccc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282923097 489199780 /nfs/dbraw/zinc/19/97/80/489199780.db2.gz NZCJYMWUHXSDBC-ZDUSSCGKSA-N -1 1 359.386 0.730 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000368136652 489215706 /nfs/dbraw/zinc/21/57/06/489215706.db2.gz WAXSGYQZEHLVND-GFCCVEGCSA-N -1 1 350.400 1.039 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)c(=O)n(C)c1=O ZINC000283283573 489238906 /nfs/dbraw/zinc/23/89/06/489238906.db2.gz ULNQZHAIZITMNN-UHFFFAOYSA-N -1 1 363.439 0.556 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1ccc(F)cn1 ZINC000349470374 489293377 /nfs/dbraw/zinc/29/33/77/489293377.db2.gz SASJXUULVMHNQF-UHFFFAOYSA-N -1 1 353.397 0.320 10 0 FCAEMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)n1 ZINC000349480408 489296420 /nfs/dbraw/zinc/29/64/20/489296420.db2.gz XGQWTSCWKWMTAS-LBPRGKRZSA-N -1 1 365.477 0.164 10 0 FCAEMM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349547481 489312349 /nfs/dbraw/zinc/31/23/49/489312349.db2.gz UVEKMICWDGHMHL-BJHJDKERSA-N -1 1 363.461 0.046 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1ccccn1 ZINC000349589823 489322666 /nfs/dbraw/zinc/32/26/66/489322666.db2.gz IJZCWRVKDSREQV-LBPRGKRZSA-N -1 1 363.461 0.312 10 0 FCAEMM CN(CCCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)C(=O)OC(C)(C)C ZINC000370867645 489417423 /nfs/dbraw/zinc/41/74/23/489417423.db2.gz LDIGFFDHRMUUOC-NSHDSACASA-N -1 1 354.411 0.747 10 0 FCAEMM CC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299316777 489431310 /nfs/dbraw/zinc/43/13/10/489431310.db2.gz LOPMHXZPDLDOMN-CQSZACIVSA-N -1 1 358.416 0.777 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371286872 489473550 /nfs/dbraw/zinc/47/35/50/489473550.db2.gz IPPHPYJONCDFMW-TUAOUCFPSA-N -1 1 352.464 0.853 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000371286869 489473715 /nfs/dbraw/zinc/47/37/15/489473715.db2.gz IPPHPYJONCDFMW-QJPTWQEYSA-N -1 1 352.464 0.853 10 0 FCAEMM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(Cn3cc(C)cn3)on2)n1 ZINC000425111838 489517289 /nfs/dbraw/zinc/51/72/89/489517289.db2.gz XCAYTYFBGMXMDK-UHFFFAOYSA-N -1 1 359.346 0.635 10 0 FCAEMM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000427073568 489593282 /nfs/dbraw/zinc/59/32/82/489593282.db2.gz RNQQUMPIRAMFFA-AWEZNQCLSA-N -1 1 364.446 0.395 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC(C(=O)NCCCO)CC3)cnc2n1 ZINC000427385111 489605180 /nfs/dbraw/zinc/60/51/80/489605180.db2.gz RZZWVOHRKQZZAF-UHFFFAOYSA-N -1 1 372.425 0.995 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCC(C(=O)NCCCO)CC3)c[n-]c2n1 ZINC000427385111 489605183 /nfs/dbraw/zinc/60/51/83/489605183.db2.gz RZZWVOHRKQZZAF-UHFFFAOYSA-N -1 1 372.425 0.995 10 0 FCAEMM Cc1cnc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c([O-])c1 ZINC000427775467 489620483 /nfs/dbraw/zinc/62/04/83/489620483.db2.gz UJOWDVDODXCBGU-CQSZACIVSA-N -1 1 370.409 0.428 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H](C)C(=O)OC ZINC000428411157 489646988 /nfs/dbraw/zinc/64/69/88/489646988.db2.gz HFJCHRWODVMPGR-WCQYABFASA-N -1 1 358.416 0.284 10 0 FCAEMM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430311200 489730256 /nfs/dbraw/zinc/73/02/56/489730256.db2.gz HNQMYZPVICJHMI-ZDUSSCGKSA-N -1 1 357.418 0.829 10 0 FCAEMM COc1ccc(NC(=O)C2(C(=O)N(C)C)CC2)cc1[N-]S(C)(=O)=O ZINC000431914003 489822113 /nfs/dbraw/zinc/82/21/13/489822113.db2.gz PCDZYNDCUBVQGZ-UHFFFAOYSA-N -1 1 355.416 0.874 10 0 FCAEMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)n1ccc2ccccc2c1=O ZINC000493343124 489844417 /nfs/dbraw/zinc/84/44/17/489844417.db2.gz CZEPBCWMJLHYLQ-SECBINFHSA-N -1 1 361.383 0.723 10 0 FCAEMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)n1ccc2ccccc2c1=O ZINC000493343124 489844421 /nfs/dbraw/zinc/84/44/21/489844421.db2.gz CZEPBCWMJLHYLQ-SECBINFHSA-N -1 1 361.383 0.723 10 0 FCAEMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000432619793 489849755 /nfs/dbraw/zinc/84/97/55/489849755.db2.gz SBZRQNZCQPBFKV-SNVBAGLBSA-N -1 1 355.416 0.448 10 0 FCAEMM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1nc2ccccc2c(=O)[n-]1 ZINC000377316223 489884323 /nfs/dbraw/zinc/88/43/23/489884323.db2.gz LJIVKYCCWUEPMK-GOSISDBHSA-N -1 1 374.466 0.861 10 0 FCAEMM Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2(c3nn[n-]n3)CC2)cc1C ZINC000477021824 489931565 /nfs/dbraw/zinc/93/15/65/489931565.db2.gz SRUARFYFHXGEDO-UHFFFAOYSA-N -1 1 364.431 0.243 10 0 FCAEMM CCCn1c2ccccc2n(CCC(=O)NC2(c3nn[n-]n3)CC2)c1=O ZINC000477034731 489934477 /nfs/dbraw/zinc/93/44/77/489934477.db2.gz ZLNQUSFABDMDPQ-UHFFFAOYSA-N -1 1 355.402 0.922 10 0 FCAEMM CCOc1ccccc1C(=O)NCCCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000477044534 489935180 /nfs/dbraw/zinc/93/51/80/489935180.db2.gz PVUOPWXOPZYVRP-UHFFFAOYSA-N -1 1 358.402 0.914 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000477054641 489935889 /nfs/dbraw/zinc/93/58/89/489935889.db2.gz GASJDILUKKTANG-UHFFFAOYSA-N -1 1 368.357 0.279 10 0 FCAEMM COc1ccc(Cn2cc(C(=O)NC3(c4nn[n-]n4)CC3)cn2)cc1OC ZINC000477054728 489935986 /nfs/dbraw/zinc/93/59/86/489935986.db2.gz GINRPVXSJRTZHR-UHFFFAOYSA-N -1 1 369.385 0.881 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000477383016 489961197 /nfs/dbraw/zinc/96/11/97/489961197.db2.gz NRSBBPBBLOMBQR-LLVKDONJSA-N -1 1 360.370 0.326 10 0 FCAEMM O=C(CNC(=O)c1cc2ccccc2[nH]1)NC1(c2nn[n-]n2)CCCC1 ZINC000463684203 490024405 /nfs/dbraw/zinc/02/44/05/490024405.db2.gz OIFMBSCLGWJNEL-UHFFFAOYSA-N -1 1 353.386 0.997 10 0 FCAEMM COc1cc(C(=O)NCCC(=O)N2CCN(C)CC2)cc(Cl)c1[O-] ZINC000442975163 490062956 /nfs/dbraw/zinc/06/29/56/490062956.db2.gz JFBQBYQAAKJQQQ-UHFFFAOYSA-N -1 1 355.822 0.948 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)o1 ZINC000497585096 490179486 /nfs/dbraw/zinc/17/94/86/490179486.db2.gz MTMNVKFDFGUSAX-CQSZACIVSA-N -1 1 354.388 0.934 10 0 FCAEMM CCS(=O)(=O)NCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000497589230 490180143 /nfs/dbraw/zinc/18/01/43/490180143.db2.gz PPKBWULFTUDPES-UHFFFAOYSA-N -1 1 352.416 0.703 10 0 FCAEMM CCS(=O)(=O)NCCCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000497589230 490180150 /nfs/dbraw/zinc/18/01/50/490180150.db2.gz PPKBWULFTUDPES-UHFFFAOYSA-N -1 1 352.416 0.703 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)co1 ZINC000497624614 490185083 /nfs/dbraw/zinc/18/50/83/490185083.db2.gz SWEVHQJNWUUXSV-AWEZNQCLSA-N -1 1 354.388 0.934 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)co1 ZINC000407994560 490198042 /nfs/dbraw/zinc/19/80/42/490198042.db2.gz BXPPTZDBVKHAPF-GFCCVEGCSA-N -1 1 369.443 0.662 10 0 FCAEMM CS(=O)(=O)N1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000497738212 490206535 /nfs/dbraw/zinc/20/65/35/490206535.db2.gz CGIXEJSOQJSXOP-UHFFFAOYSA-N -1 1 350.400 0.077 10 0 FCAEMM CN(Cc1nnnn1C)C(=O)c1ccc(I)c([O-])c1 ZINC000546873679 490254378 /nfs/dbraw/zinc/25/43/78/490254378.db2.gz BCIYJLCAVSEZAB-UHFFFAOYSA-N -1 1 373.154 0.793 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 ZINC000564662085 491319329 /nfs/dbraw/zinc/31/93/29/491319329.db2.gz XEVPBYVKSZTCAS-UHFFFAOYSA-N -1 1 368.455 0.586 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000547871552 490370498 /nfs/dbraw/zinc/37/04/98/490370498.db2.gz PINZGBVSLCLZIF-GFCCVEGCSA-N -1 1 371.346 0.310 10 0 FCAEMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468953266 490468606 /nfs/dbraw/zinc/46/86/06/490468606.db2.gz LZLZFTKJUIZNMG-NWDGAFQWSA-N -1 1 371.459 0.988 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)co1 ZINC000509887935 490473041 /nfs/dbraw/zinc/47/30/41/490473041.db2.gz TVFYMMFWXANXHM-SNVBAGLBSA-N -1 1 365.415 0.580 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 ZINC000523789695 490495629 /nfs/dbraw/zinc/49/56/29/490495629.db2.gz GGIIEBBDDXHAMN-SECBINFHSA-N -1 1 355.420 0.328 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)[n-]1 ZINC000523789695 490495633 /nfs/dbraw/zinc/49/56/33/490495633.db2.gz GGIIEBBDDXHAMN-SECBINFHSA-N -1 1 355.420 0.328 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)n1 ZINC000500573159 490536122 /nfs/dbraw/zinc/53/61/22/490536122.db2.gz KGJDCVUMPDJISY-QMMMGPOBSA-N -1 1 369.428 0.513 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)[n-]1 ZINC000500573159 490536127 /nfs/dbraw/zinc/53/61/27/490536127.db2.gz KGJDCVUMPDJISY-QMMMGPOBSA-N -1 1 369.428 0.513 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500592120 490536980 /nfs/dbraw/zinc/53/69/80/490536980.db2.gz NSYPMGSCTRUFGT-YUMQZZPRSA-N -1 1 361.449 0.094 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500592120 490536984 /nfs/dbraw/zinc/53/69/84/490536984.db2.gz NSYPMGSCTRUFGT-YUMQZZPRSA-N -1 1 361.449 0.094 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)sc1C ZINC000548824359 490545153 /nfs/dbraw/zinc/54/51/53/490545153.db2.gz MVOGEXUXTLDKOV-WDEREUQCSA-N -1 1 367.518 0.756 10 0 FCAEMM COC(=O)[C@]1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCSC1 ZINC000536249979 490564577 /nfs/dbraw/zinc/56/45/77/490564577.db2.gz VOAFIEQTRRGDGR-INIZCTEOSA-N -1 1 364.427 0.759 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(N)=O)C2)o1 ZINC000536526511 490587662 /nfs/dbraw/zinc/58/76/62/490587662.db2.gz GHAAWUJYYYVJOU-SECBINFHSA-N -1 1 358.420 0.239 10 0 FCAEMM CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)[C@H]1c1cccnc1 ZINC000537122153 490650423 /nfs/dbraw/zinc/65/04/23/490650423.db2.gz DSRXPEZBMHMJCW-KCQAQPDRSA-N -1 1 355.402 0.520 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCn2cnc3sccc3c2=O)n1 ZINC000512591895 490689568 /nfs/dbraw/zinc/68/95/68/490689568.db2.gz INOKDTVHTPGNRD-UHFFFAOYSA-N -1 1 368.400 0.008 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCn2cnc3sccc3c2=O)[n-]1 ZINC000512591895 490689572 /nfs/dbraw/zinc/68/95/72/490689572.db2.gz INOKDTVHTPGNRD-UHFFFAOYSA-N -1 1 368.400 0.008 10 0 FCAEMM COc1cccc(CO[C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512640428 490690885 /nfs/dbraw/zinc/69/08/85/490690885.db2.gz VMGMEDXIWHMLRC-VIFPVBQESA-N -1 1 354.388 0.761 10 0 FCAEMM COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512640428 490690889 /nfs/dbraw/zinc/69/08/89/490690889.db2.gz VMGMEDXIWHMLRC-VIFPVBQESA-N -1 1 354.388 0.761 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)on1 ZINC000541310474 490857852 /nfs/dbraw/zinc/85/78/52/490857852.db2.gz TVMFQHZHLVSGIE-CQSZACIVSA-N -1 1 350.400 0.993 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000529732623 490867966 /nfs/dbraw/zinc/86/79/66/490867966.db2.gz CLYROSCCAWBJPO-JTQLQIEISA-N -1 1 357.794 0.824 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)[C@@H]2CCCO2)o1 ZINC000529766204 490875544 /nfs/dbraw/zinc/87/55/44/490875544.db2.gz LZGZWYSEVIXCFM-QWRGUYRKSA-N -1 1 360.432 0.626 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2c3ccccc3C(=O)N2C)co1 ZINC000529996881 490885696 /nfs/dbraw/zinc/88/56/96/490885696.db2.gz MHGMXZFXGWWVOP-ZDUSSCGKSA-N -1 1 363.395 0.744 10 0 FCAEMM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)CC2)n[nH]1 ZINC000531120822 490941730 /nfs/dbraw/zinc/94/17/30/490941730.db2.gz RVOSARMTZJRMPY-UHFFFAOYSA-N -1 1 369.385 0.414 10 0 FCAEMM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000565873116 491404353 /nfs/dbraw/zinc/40/43/53/491404353.db2.gz TVRDPWYDKSQYRD-DGCLKSJQSA-N -1 1 364.427 0.929 10 0 FCAEMM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000565873116 491404355 /nfs/dbraw/zinc/40/43/55/491404355.db2.gz TVRDPWYDKSQYRD-DGCLKSJQSA-N -1 1 364.427 0.929 10 0 FCAEMM CCOC(=O)C(=C(O)Cn1nnn(C2CC2)c1=O)c1nc(C)cs1 ZINC000574436210 491496301 /nfs/dbraw/zinc/49/63/01/491496301.db2.gz OQEJZIRKQVDBFA-NSHDSACASA-N -1 1 351.388 0.456 10 0 FCAEMM CCOC(=O)C(=C([O-])Cn1nnn(C2CC2)c1=O)c1nc(C)cs1 ZINC000574436210 491496303 /nfs/dbraw/zinc/49/63/03/491496303.db2.gz OQEJZIRKQVDBFA-NSHDSACASA-N -1 1 351.388 0.456 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2CCC3(CC2)NC(=O)NC3=O)sc1C ZINC000574778174 491519763 /nfs/dbraw/zinc/51/97/63/491519763.db2.gz SOSXLHSYPJHRDR-UHFFFAOYSA-N -1 1 358.445 0.559 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C(=O)[O-] ZINC000575803700 491562142 /nfs/dbraw/zinc/56/21/42/491562142.db2.gz YGVYKFDXMUUKOJ-FVQBIDKESA-N -1 1 361.442 0.975 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CCCn2nc3n(c2=O)CCCC3)sc1C ZINC000673696883 493359434 /nfs/dbraw/zinc/35/94/34/493359434.db2.gz HALQKSGPYBHWFO-UHFFFAOYSA-N -1 1 371.488 0.823 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)nc2n1 ZINC000588006740 491737193 /nfs/dbraw/zinc/73/71/93/491737193.db2.gz UAHYEUFFICKVSW-GFCCVEGCSA-N -1 1 373.417 0.592 10 0 FCAEMM CN(CC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1)c1ncnc2[nH]cnc21 ZINC000582064773 491796485 /nfs/dbraw/zinc/79/64/85/491796485.db2.gz QICFJJSHEHEALZ-UHFFFAOYSA-N -1 1 357.378 0.019 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccnn1C ZINC000592089894 491831417 /nfs/dbraw/zinc/83/14/17/491831417.db2.gz CHBZQHQIBVPSSG-ZDUSSCGKSA-N -1 1 357.363 0.760 10 0 FCAEMM COc1cnc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)nc1 ZINC000583880386 491854009 /nfs/dbraw/zinc/85/40/09/491854009.db2.gz WDNVLJCXDXUBJU-UHFFFAOYSA-N -1 1 374.401 0.697 10 0 FCAEMM O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(I)c([O-])c1 ZINC000600593367 491870087 /nfs/dbraw/zinc/87/00/87/491870087.db2.gz SCNZDNTVUBEVAJ-ONGXEEELSA-N -1 1 363.151 0.876 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC000613476077 491982708 /nfs/dbraw/zinc/98/27/08/491982708.db2.gz TVJVBXSOQGUSNZ-OPRDCNLKSA-N -1 1 351.329 0.746 10 0 FCAEMM COC(=O)c1c(C)cccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000614378425 492026805 /nfs/dbraw/zinc/02/68/05/492026805.db2.gz VMKRSMABTZWJGA-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM C[C@@H](NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N(C)C ZINC000605446847 492096119 /nfs/dbraw/zinc/09/61/19/492096119.db2.gz NMLFAAQNWMAOIV-ZCFIWIBFSA-N -1 1 352.338 0.886 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)NC(=O)c2cccs2)n[n-]1 ZINC000615918944 492107259 /nfs/dbraw/zinc/10/72/59/492107259.db2.gz LJEACWXAXWCUSM-MRVPVSSYSA-N -1 1 351.388 0.478 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)NC(=O)c2cccs2)n1 ZINC000615918944 492107262 /nfs/dbraw/zinc/10/72/62/492107262.db2.gz LJEACWXAXWCUSM-MRVPVSSYSA-N -1 1 351.388 0.478 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n[n-]1 ZINC000615920202 492107591 /nfs/dbraw/zinc/10/75/91/492107591.db2.gz OYGVIXQQCQGXKM-JTQLQIEISA-N -1 1 361.333 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000615920202 492107595 /nfs/dbraw/zinc/10/75/95/492107595.db2.gz OYGVIXQQCQGXKM-JTQLQIEISA-N -1 1 361.333 0.863 10 0 FCAEMM CNC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)c1ccccc1 ZINC000599302433 492157228 /nfs/dbraw/zinc/15/72/28/492157228.db2.gz JMUKAOOSSVUNCW-NSHDSACASA-N -1 1 367.383 0.617 10 0 FCAEMM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599405215 492168889 /nfs/dbraw/zinc/16/88/89/492168889.db2.gz SEUYFMFFJOSCTD-RISCZKNCSA-N -1 1 373.427 0.508 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)co1 ZINC000617534926 492174747 /nfs/dbraw/zinc/17/47/47/492174747.db2.gz MODJJZAKHWTAEK-KGYLQXTDSA-N -1 1 360.432 0.484 10 0 FCAEMM C[C@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000608490336 492177964 /nfs/dbraw/zinc/17/79/64/492177964.db2.gz XGHYMTPWOCAUJO-IINYFYTJSA-N -1 1 366.381 0.580 10 0 FCAEMM CNC(=O)NC[C@@H]1COCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000634514385 492349411 /nfs/dbraw/zinc/34/94/11/492349411.db2.gz PSISQFCTYZGMDN-SNVBAGLBSA-N -1 1 372.219 0.925 10 0 FCAEMM CO[C@@](C)(CO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000655209201 492414008 /nfs/dbraw/zinc/41/40/08/492414008.db2.gz GZSQBCSEHLBQAG-GOSISDBHSA-N -1 1 360.414 0.999 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(c2nncn2C)CC1 ZINC000655289293 492424678 /nfs/dbraw/zinc/42/46/78/492424678.db2.gz JPKWSZUDQFJFSZ-UHFFFAOYSA-N -1 1 359.434 0.879 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000622146538 492458905 /nfs/dbraw/zinc/45/89/05/492458905.db2.gz XKUQHYWXDLJEES-NEPJUHHUSA-N -1 1 351.384 0.186 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000622146538 492458909 /nfs/dbraw/zinc/45/89/09/492458909.db2.gz XKUQHYWXDLJEES-NEPJUHHUSA-N -1 1 351.384 0.186 10 0 FCAEMM Cc1ccc2c([n-]cc(C(=O)NCCN3CCCS3(=O)=O)c2=O)[nH+]1 ZINC000622409566 492474732 /nfs/dbraw/zinc/47/47/32/492474732.db2.gz WJIAJLYGDWCYKJ-UHFFFAOYSA-N -1 1 350.400 0.409 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCN1CCCS1(=O)=O)c2=O ZINC000622409566 492474737 /nfs/dbraw/zinc/47/47/37/492474737.db2.gz WJIAJLYGDWCYKJ-UHFFFAOYSA-N -1 1 350.400 0.409 10 0 FCAEMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)c1 ZINC000656375501 492616513 /nfs/dbraw/zinc/61/65/13/492616513.db2.gz UUGAIXDSQOXOAP-UHFFFAOYSA-N -1 1 365.452 0.895 10 0 FCAEMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1)C(C)(C)O ZINC000656383435 492619629 /nfs/dbraw/zinc/61/96/29/492619629.db2.gz OMVBHBQHWKDFAO-NSHDSACASA-N -1 1 365.477 0.292 10 0 FCAEMM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)C(=O)c1ccc([O-])cc1 ZINC000629435162 492629291 /nfs/dbraw/zinc/62/92/91/492629291.db2.gz HIFDJOIBKIMHLQ-QGZVFWFLSA-N -1 1 355.394 0.987 10 0 FCAEMM CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506452 492646788 /nfs/dbraw/zinc/64/67/88/492646788.db2.gz MMAKKKZOVOYSNE-JKSUJKDBSA-N -1 1 355.479 0.789 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)[C@H]1CCOC1 ZINC000656738606 492648527 /nfs/dbraw/zinc/64/85/27/492648527.db2.gz RLQLMDFFXHYOST-CBAPKCEASA-N -1 1 354.226 0.965 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1ncccc1Br ZINC000656910277 492666773 /nfs/dbraw/zinc/66/67/73/492666773.db2.gz XFWDCBZPJHCVHC-JTQLQIEISA-N -1 1 365.249 0.910 10 0 FCAEMM O=S(=O)([N-]CC1(CO)CCOCC1)c1ncccc1Br ZINC000656940894 492674398 /nfs/dbraw/zinc/67/43/98/492674398.db2.gz UUPSCZHRVFHSHV-UHFFFAOYSA-N -1 1 365.249 0.912 10 0 FCAEMM CNC(=O)c1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)nn1 ZINC000650815208 492669668 /nfs/dbraw/zinc/66/96/68/492669668.db2.gz LWHYUDROMLYIJG-UHFFFAOYSA-N -1 1 362.415 0.355 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1ncccc1Br)[C@@H]1CN(C)CCO1 ZINC000656938973 492673476 /nfs/dbraw/zinc/67/34/76/492673476.db2.gz LAIRCZZSTZTCOO-KOLCDFICSA-N -1 1 364.265 0.842 10 0 FCAEMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656940708 492674479 /nfs/dbraw/zinc/67/44/79/492674479.db2.gz ZMQWFESAUPRNKA-UHFFFAOYSA-N -1 1 350.238 0.895 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000656975359 492683917 /nfs/dbraw/zinc/68/39/17/492683917.db2.gz LMUZWPLMESFWKN-JGVFFNPUSA-N -1 1 359.326 0.559 10 0 FCAEMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656976100 492685049 /nfs/dbraw/zinc/68/50/49/492685049.db2.gz NFGNJMUYORFTME-GZMMTYOYSA-N -1 1 351.222 0.662 10 0 FCAEMM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657058573 492705532 /nfs/dbraw/zinc/70/55/32/492705532.db2.gz VDHLOOQOZNXPGE-NSHDSACASA-N -1 1 369.418 0.441 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629926360 492705645 /nfs/dbraw/zinc/70/56/45/492705645.db2.gz JMNIVRWQFLNQLM-CQSZACIVSA-N -1 1 357.414 0.864 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000657101808 492721057 /nfs/dbraw/zinc/72/10/57/492721057.db2.gz VGMVPWCDOLUTCE-VHSXEESVSA-N -1 1 357.812 0.569 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000657108876 492723025 /nfs/dbraw/zinc/72/30/25/492723025.db2.gz BEVQJQRSLJRJNF-AWEZNQCLSA-N -1 1 369.418 0.899 10 0 FCAEMM COc1ccc(OC)c(CN2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC000630454901 492747773 /nfs/dbraw/zinc/74/77/73/492747773.db2.gz YRJGSYPAPLNHQE-UHFFFAOYSA-N -1 1 360.418 0.494 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000630760707 492773069 /nfs/dbraw/zinc/77/30/69/492773069.db2.gz JMBLBBNZYFMOAN-UHFFFAOYSA-N -1 1 362.821 0.699 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CCOCC1 ZINC000651555256 492780641 /nfs/dbraw/zinc/78/06/41/492780641.db2.gz JEEVHRXIQDBEJI-OAHLLOKOSA-N -1 1 368.455 0.907 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000631626003 492826273 /nfs/dbraw/zinc/82/62/73/492826273.db2.gz LUCDGJLWVRBHNC-UHFFFAOYSA-N -1 1 360.393 0.575 10 0 FCAEMM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000625623942 492845893 /nfs/dbraw/zinc/84/58/93/492845893.db2.gz BXJOBCPUTBKSMB-UHFFFAOYSA-N -1 1 371.843 0.248 10 0 FCAEMM COCCOc1ccccc1N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC000631787229 492853049 /nfs/dbraw/zinc/85/30/49/492853049.db2.gz OGPURAZTDYVYAT-UHFFFAOYSA-N -1 1 360.418 0.506 10 0 FCAEMM Cc1cc(C2([N-]S(=O)(=O)c3cnn4c3OCCC4)CCOCC2)on1 ZINC000625653982 492853025 /nfs/dbraw/zinc/85/30/25/492853025.db2.gz WBINCHRQXSUXML-UHFFFAOYSA-N -1 1 368.415 0.946 10 0 FCAEMM CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000625669046 492856550 /nfs/dbraw/zinc/85/65/50/492856550.db2.gz OXSXNXRLBAVXSG-JGZJWPJOSA-N -1 1 366.436 0.901 10 0 FCAEMM CC[C@@H](NC(=O)CCc1nn[n-]n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000631806031 492856720 /nfs/dbraw/zinc/85/67/20/492856720.db2.gz ZNDMWDHCTOXLDT-HZPDHXFCSA-N -1 1 358.446 0.928 10 0 FCAEMM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC(=O)N2CCNCC2)n1 ZINC000645133831 492871064 /nfs/dbraw/zinc/87/10/64/492871064.db2.gz ZVTYALJXVJCNSK-UHFFFAOYSA-N -1 1 371.441 0.644 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000645573255 492930398 /nfs/dbraw/zinc/93/03/98/492930398.db2.gz UDJGVFVDQFRRBA-LEWSCRJBSA-N -1 1 356.448 0.258 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)sn1 ZINC000632336772 492976566 /nfs/dbraw/zinc/97/65/66/492976566.db2.gz FLICRBXKFXAFPF-SNVBAGLBSA-N -1 1 368.506 0.001 10 0 FCAEMM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)[N-]C2(C(F)F)CCCC2)C1 ZINC000632340654 492977462 /nfs/dbraw/zinc/97/74/62/492977462.db2.gz JYGUSPSMSVQBQS-JTQLQIEISA-N -1 1 360.448 0.765 10 0 FCAEMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632498924 493012771 /nfs/dbraw/zinc/01/27/71/493012771.db2.gz ANECXBTUWWCANL-HTRCEHHLSA-N -1 1 357.251 0.739 10 0 FCAEMM O=C([O-])CN(CC1CC1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000653326121 493095258 /nfs/dbraw/zinc/09/52/58/493095258.db2.gz UOEJZWRZJGBKAG-UHFFFAOYSA-N -1 1 357.366 0.581 10 0 FCAEMM CN(C)CCn1cc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)cn1 ZINC000633688899 493181387 /nfs/dbraw/zinc/18/13/87/493181387.db2.gz CTKXVELOQDPOAM-UHFFFAOYSA-N -1 1 350.448 0.864 10 0 FCAEMM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000659645072 493227730 /nfs/dbraw/zinc/22/77/30/493227730.db2.gz UYRVEGUYGHFAAE-HNNXBMFYSA-N -1 1 359.426 0.748 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cccs1 ZINC000659643942 493228014 /nfs/dbraw/zinc/22/80/14/493228014.db2.gz JICVJCCWJVIZLN-LLVKDONJSA-N -1 1 353.444 0.838 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000668153670 493322598 /nfs/dbraw/zinc/32/25/98/493322598.db2.gz VSHGMNNCRRIKNC-ZDUSSCGKSA-N -1 1 356.382 0.407 10 0 FCAEMM CN(CCN1CCCS1(=O)=O)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000674417544 493414311 /nfs/dbraw/zinc/41/43/11/493414311.db2.gz GWVPNFBQQWPJRN-UHFFFAOYSA-N -1 1 350.400 0.031 10 0 FCAEMM CCn1nc2c(cc1=O)CN(C(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000674421018 493414681 /nfs/dbraw/zinc/41/46/81/493414681.db2.gz TVLNFKBZUYGVAH-UHFFFAOYSA-N -1 1 351.366 0.698 10 0 FCAEMM Cc1cccc(NC(=O)[C@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC000662206776 493496101 /nfs/dbraw/zinc/49/61/01/493496101.db2.gz SHVKDSLITQLCIM-UONOGXRCSA-N -1 1 360.414 0.726 10 0 FCAEMM CCN1CC[C@@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1=O ZINC000669974614 493537544 /nfs/dbraw/zinc/53/75/44/493537544.db2.gz MVCPSTRPKDCCKM-LLVKDONJSA-N -1 1 370.431 0.809 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000670406801 493561739 /nfs/dbraw/zinc/56/17/39/493561739.db2.gz CVNLKMDRRAAWDP-ZDUSSCGKSA-N -1 1 370.450 0.317 10 0 FCAEMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677924877 493624699 /nfs/dbraw/zinc/62/46/99/493624699.db2.gz BGMNRULATDKPMO-GHMZBOCLSA-N -1 1 368.401 0.601 10 0 FCAEMM O=C(N1CCC[C@H](c2nn[n-]n2)C1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000678797864 493661222 /nfs/dbraw/zinc/66/12/22/493661222.db2.gz TYRKRDZIDSDGNC-LBPRGKRZSA-N -1 1 361.427 0.912 10 0 FCAEMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1S(N)(=O)=O ZINC000678797028 493661280 /nfs/dbraw/zinc/66/12/80/493661280.db2.gz OSCFHEGQEJUASA-LLVKDONJSA-N -1 1 350.404 0.175 10 0 FCAEMM O=C(NCc1nn[n-]n1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000679885404 493699204 /nfs/dbraw/zinc/69/92/04/493699204.db2.gz HHAFWTFBHLSPCR-UHFFFAOYSA-N -1 1 353.136 0.223 10 0 FCAEMM CC(C)[C@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443235176 535158191 /nfs/dbraw/zinc/15/81/91/535158191.db2.gz SYMPRYMCNKRNBZ-LLVKDONJSA-N -1 1 354.425 0.492 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)o1 ZINC000593628147 546723357 /nfs/dbraw/zinc/72/33/57/546723357.db2.gz XXRJZWJJZFFALV-UHFFFAOYSA-N -1 1 353.356 0.407 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2)c1ccnn1C ZINC000594466970 546790187 /nfs/dbraw/zinc/79/01/87/546790187.db2.gz DKORKZWAUDCRHU-OAHLLOKOSA-N -1 1 363.395 0.742 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1 ZINC000594806936 546828569 /nfs/dbraw/zinc/82/85/69/546828569.db2.gz FDUILVBBKTWYCS-WCFLWFBJSA-N -1 1 361.416 0.911 10 0 FCAEMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000010675480 546914763 /nfs/dbraw/zinc/91/47/63/546914763.db2.gz LTPLRVOVABOGEO-LLVKDONJSA-N -1 1 367.427 0.522 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(Cl)cnc1Cl ZINC000867503706 663136530 /nfs/dbraw/zinc/13/65/30/663136530.db2.gz IPFZAGWQOXMVAC-LBPRGKRZSA-N -1 1 371.242 0.835 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)N1CCN(C)CC1 ZINC000866857300 663467037 /nfs/dbraw/zinc/46/70/37/663467037.db2.gz DKOUKOXYSFFVRF-FATZIPQQSA-N -1 1 374.532 0.614 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000866873032 663472973 /nfs/dbraw/zinc/47/29/73/663472973.db2.gz KKEGAAZUXAIUHN-ASSNKEHSSA-N -1 1 354.542 0.211 10 0 FCAEMM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000291911577 663856298 /nfs/dbraw/zinc/85/62/98/663856298.db2.gz SKHUWPXJEMFMDZ-KBPBESRZSA-N -1 1 372.447 0.116 10 0 FCAEMM CCn1c(CNC(=O)c2cccc(S(=O)(=O)NC)c2)n[n-]c1=S ZINC000066636400 664038966 /nfs/dbraw/zinc/03/89/66/664038966.db2.gz ARRPLHOCEROBID-UHFFFAOYSA-N -1 1 355.445 0.799 10 0 FCAEMM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000311581423 664114116 /nfs/dbraw/zinc/11/41/16/664114116.db2.gz CWRBWHMVGOKBEQ-LURJTMIESA-N -1 1 354.226 0.721 10 0 FCAEMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc2c1O[C@H](C)C2 ZINC000725894598 664227939 /nfs/dbraw/zinc/22/79/39/664227939.db2.gz XLVCDLQUHLFXNN-SSDOTTSWSA-N -1 1 352.372 0.793 10 0 FCAEMM COc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc2c1O[C@H](C)C2 ZINC000725894598 664227940 /nfs/dbraw/zinc/22/79/40/664227940.db2.gz XLVCDLQUHLFXNN-SSDOTTSWSA-N -1 1 352.372 0.793 10 0 FCAEMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000728071007 665121286 /nfs/dbraw/zinc/12/12/86/665121286.db2.gz SAXWGDUYUWVGBM-QRJSTWQJSA-N -1 1 373.460 0.405 10 0 FCAEMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000728071007 665121288 /nfs/dbraw/zinc/12/12/88/665121288.db2.gz SAXWGDUYUWVGBM-QRJSTWQJSA-N -1 1 373.460 0.405 10 0 FCAEMM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866942275 665220121 /nfs/dbraw/zinc/22/01/21/665220121.db2.gz RFORXCQBKHCZCG-BDAKNGLRSA-N -1 1 357.354 0.911 10 0 FCAEMM CN1CCN(c2cc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)ccn2)CC1 ZINC000911156403 666317416 /nfs/dbraw/zinc/31/74/16/666317416.db2.gz GKIKWZHWORSRMU-NSHDSACASA-N -1 1 360.336 0.969 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@@H]12 ZINC000921321879 666433085 /nfs/dbraw/zinc/43/30/85/666433085.db2.gz KYYHYCQLXJDCOJ-NEPJUHHUSA-N -1 1 355.551 0.908 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)o1 ZINC000921323574 666438586 /nfs/dbraw/zinc/43/85/86/666438586.db2.gz KJGPBGPCKVCIPO-MNOVXSKESA-N -1 1 360.457 0.924 10 0 FCAEMM CCN1CCC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1=O ZINC000921490066 666454260 /nfs/dbraw/zinc/45/42/60/666454260.db2.gz YBDYRLYKEMZENP-QMMMGPOBSA-N -1 1 354.354 0.728 10 0 FCAEMM O=C(NCC12COCCN1CCOC2)c1cc(Br)ccc1[O-] ZINC000913308995 666521376 /nfs/dbraw/zinc/52/13/76/666521376.db2.gz SYQWLVWDFJAFKS-UHFFFAOYSA-N -1 1 371.231 0.986 10 0 FCAEMM O=C(Cn1c2ccccc2nc1-c1cscn1)NN1CC(=O)[N-]C1=O ZINC000070900524 666597897 /nfs/dbraw/zinc/59/78/97/666597897.db2.gz XWDRFVDXKFUNRJ-UHFFFAOYSA-N -1 1 356.367 0.743 10 0 FCAEMM O=C(COC(=O)c1ccccc1OCCO)N[N-]C(=O)c1cccs1 ZINC000064159867 666631724 /nfs/dbraw/zinc/63/17/24/666631724.db2.gz RWIRJSHPADLVAM-UHFFFAOYSA-N -1 1 364.379 0.737 10 0 FCAEMM CN1CC[C@](O)(CNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)C1 ZINC000914372424 666747565 /nfs/dbraw/zinc/74/75/65/666747565.db2.gz ROUPGFNGNGLJIS-LBPRGKRZSA-N -1 1 370.349 0.636 10 0 FCAEMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360845 666861438 /nfs/dbraw/zinc/86/14/38/666861438.db2.gz WLKKQCXKKRICPX-VIFPVBQESA-N -1 1 361.383 0.662 10 0 FCAEMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360845 666861442 /nfs/dbraw/zinc/86/14/42/666861442.db2.gz WLKKQCXKKRICPX-VIFPVBQESA-N -1 1 361.383 0.662 10 0 FCAEMM NC(=O)[C@]1([N-]S(=O)(=O)Cc2ccsc2Br)CCOC1 ZINC000916825504 667030566 /nfs/dbraw/zinc/03/05/66/667030566.db2.gz KVFFJNVBYFDHEQ-JTQLQIEISA-N -1 1 369.262 0.574 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)(F)F ZINC000921599252 667141344 /nfs/dbraw/zinc/14/13/44/667141344.db2.gz QMMKLIILBZCXGW-LXGOIASLSA-N -1 1 351.416 0.965 10 0 FCAEMM COC(=O)/C(C)=C/C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000921220214 667273204 /nfs/dbraw/zinc/27/32/04/667273204.db2.gz JFJLPLKZUNDVLL-FNORWQNLSA-N -1 1 366.237 0.889 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCSC3(CCC3)C2)c(=O)n(C)c1=O ZINC000921716643 667467450 /nfs/dbraw/zinc/46/74/50/667467450.db2.gz OALPMFKGIPHHGT-JTQLQIEISA-N -1 1 359.473 0.181 10 0 FCAEMM O=C1C[C@@H](S(=O)(=O)NCCc2c(F)cc([O-])cc2F)CN1C1CC1 ZINC000921966099 667555914 /nfs/dbraw/zinc/55/59/14/667555914.db2.gz UHPGLANUIACUSN-LLVKDONJSA-N -1 1 360.382 0.896 10 0 FCAEMM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000921966926 667556247 /nfs/dbraw/zinc/55/62/47/667556247.db2.gz OMJRHQVVUQYKLK-QMMMGPOBSA-N -1 1 350.194 0.788 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)co1 ZINC000753748327 667564359 /nfs/dbraw/zinc/56/43/59/667564359.db2.gz HCAAXYXOLDUOHU-AATRIKPKSA-N -1 1 373.431 0.998 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3nnn(C)c3C2)c(F)c1 ZINC000922043483 667573570 /nfs/dbraw/zinc/57/35/70/667573570.db2.gz ACARBMWQYSTXIT-QMMMGPOBSA-N -1 1 358.370 0.938 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCOc3ccccc32)c(=O)n(C)c1=O ZINC000922097357 667585902 /nfs/dbraw/zinc/58/59/02/667585902.db2.gz VAKPSUVRSZNKDY-INIZCTEOSA-N -1 1 365.411 0.060 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)o1 ZINC000761246400 667883458 /nfs/dbraw/zinc/88/34/58/667883458.db2.gz NUKQXRFVLHZFFJ-BDAKNGLRSA-N -1 1 351.402 0.310 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)OC ZINC000761300881 667886282 /nfs/dbraw/zinc/88/62/82/667886282.db2.gz SMVXIMOLLRTFMV-MRVPVSSYSA-N -1 1 351.327 0.981 10 0 FCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000775583303 668222272 /nfs/dbraw/zinc/22/22/72/668222272.db2.gz SARVODFFUVBRKA-ZADCQDASSA-N -1 1 364.217 0.873 10 0 FCAEMM Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000776628669 668280314 /nfs/dbraw/zinc/28/03/14/668280314.db2.gz TZAAIYOWUQFKQY-VIFPVBQESA-N -1 1 350.828 0.291 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000772226075 668294964 /nfs/dbraw/zinc/29/49/64/668294964.db2.gz MRWHYCWRODLMKO-SSDOTTSWSA-N -1 1 355.152 0.277 10 0 FCAEMM CC(=O)N1CCC[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782649958 668573832 /nfs/dbraw/zinc/57/38/32/668573832.db2.gz UGOSLDAGNUYSER-NSHDSACASA-N -1 1 354.325 0.483 10 0 FCAEMM CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000783091666 668597411 /nfs/dbraw/zinc/59/74/11/668597411.db2.gz MNKJIDQTRAUIAK-UHFFFAOYSA-N -1 1 358.420 0.782 10 0 FCAEMM C[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000786195781 668749490 /nfs/dbraw/zinc/74/94/90/668749490.db2.gz ACRNSVQZTGEDSS-ZCFIWIBFSA-N -1 1 358.294 0.398 10 0 FCAEMM C[C@H]1[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997346 668818745 /nfs/dbraw/zinc/81/87/45/668818745.db2.gz DDOGCBZCENDUBD-DTWKUNHWSA-N -1 1 373.435 0.792 10 0 FCAEMM C[C@H]1[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997346 668818748 /nfs/dbraw/zinc/81/87/48/668818748.db2.gz DDOGCBZCENDUBD-DTWKUNHWSA-N -1 1 373.435 0.792 10 0 FCAEMM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000789923048 668867367 /nfs/dbraw/zinc/86/73/67/668867367.db2.gz MXADYBOZFQIEMA-UHFFFAOYSA-N -1 1 357.164 0.819 10 0 FCAEMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(Br)n[nH]2)s1 ZINC000791333505 668888660 /nfs/dbraw/zinc/88/86/60/668888660.db2.gz WCURGUNBTWCRMZ-UHFFFAOYSA-N -1 1 367.210 0.648 10 0 FCAEMM NC(=O)c1ncccc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469106 668929284 /nfs/dbraw/zinc/92/92/84/668929284.db2.gz QDNQBCTVFCOQDE-VIFPVBQESA-N -1 1 358.320 0.711 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c(F)cc1Cl ZINC000795925888 669071554 /nfs/dbraw/zinc/07/15/54/669071554.db2.gz MSXILLDIDFPPAM-LURJTMIESA-N -1 1 350.755 0.433 10 0 FCAEMM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2[nH]cnc2cc1F ZINC000820645961 669112371 /nfs/dbraw/zinc/11/23/71/669112371.db2.gz RVDFSGFYSFSAOJ-SFYZADRCSA-N -1 1 357.363 0.959 10 0 FCAEMM NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1Cl ZINC000798335286 669229644 /nfs/dbraw/zinc/22/96/44/669229644.db2.gz JQSBDRSJUYHXEM-VIFPVBQESA-N -1 1 370.822 0.520 10 0 FCAEMM C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807801128 669517147 /nfs/dbraw/zinc/51/71/47/669517147.db2.gz FORXBRDTGMUBMN-QXEWZRGKSA-N -1 1 373.397 0.182 10 0 FCAEMM COC(=O)COCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807802499 669517255 /nfs/dbraw/zinc/51/72/55/669517255.db2.gz XYOXZPDTFJYQDI-AUTRQRHGSA-N -1 1 354.325 0.480 10 0 FCAEMM Cc1c(Br)cncc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826834721 669520101 /nfs/dbraw/zinc/52/01/01/669520101.db2.gz VOVLSKFUAFQEMF-JTQLQIEISA-N -1 1 353.180 0.879 10 0 FCAEMM CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830829366 669808824 /nfs/dbraw/zinc/80/88/24/669808824.db2.gz XPKOQCKMWWRDQK-SKDRFNHKSA-N -1 1 353.366 0.577 10 0 FCAEMM COC(=O)[C@@H]1O[C@@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C[C@H]1C ZINC000831113678 669828890 /nfs/dbraw/zinc/82/88/90/669828890.db2.gz XCOKMNZTLPXIHZ-SZEHBUNVSA-N -1 1 352.309 0.090 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831399008 669844226 /nfs/dbraw/zinc/84/42/26/669844226.db2.gz XLCIYRCXQKZIHH-SFYZADRCSA-N -1 1 356.857 0.059 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C3CC3)C2)c1C(F)(F)F ZINC000867072125 669848251 /nfs/dbraw/zinc/84/82/51/669848251.db2.gz VQVSOYFFFNTWJX-MRVPVSSYSA-N -1 1 366.365 0.728 10 0 FCAEMM CC(C)CN(C)S(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000814286732 669880035 /nfs/dbraw/zinc/88/00/35/669880035.db2.gz PYFQRJBZMYWRNF-ZFWWWQNUSA-N -1 1 358.460 0.901 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c(F)cc1Cl ZINC000832456167 669904835 /nfs/dbraw/zinc/90/48/35/669904835.db2.gz VVXUAHQJJMRERX-NXEZZACHSA-N -1 1 353.755 0.304 10 0 FCAEMM C[C@H]1CCN(C(=O)CS(=O)(=O)C2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000832581076 669910781 /nfs/dbraw/zinc/91/07/81/669910781.db2.gz ZPWDKNSQYKPFHV-AUTRQRHGSA-N -1 1 370.393 0.868 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@H]1OC ZINC000867107086 669941560 /nfs/dbraw/zinc/94/15/60/669941560.db2.gz RKLAEPQQMKDGPH-NQMVMOMDSA-N -1 1 357.354 0.910 10 0 FCAEMM C[C@H]1OC(=O)N[C@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000841436973 670559420 /nfs/dbraw/zinc/55/94/20/670559420.db2.gz ZIPWCNSLWMQWFM-GENCIFFESA-N -1 1 351.325 0.787 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCn1cc(Br)cn1 ZINC000867264230 670577119 /nfs/dbraw/zinc/57/71/19/670577119.db2.gz FBXVGHHJJOXABX-QGZVFWFLSA-N -1 1 359.271 0.598 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)CN1C1CC1 ZINC000867274487 670611858 /nfs/dbraw/zinc/61/18/58/670611858.db2.gz HUXGKVGQZGBHJH-RBOXIYTFSA-N -1 1 352.412 0.164 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)s2)C1)C(F)(F)F ZINC000867283584 670629856 /nfs/dbraw/zinc/62/98/56/670629856.db2.gz YSLCDEYNTUCWCV-ZETCQYMHSA-N -1 1 373.378 0.928 10 0 FCAEMM Cc1nnsc1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867299309 670696497 /nfs/dbraw/zinc/69/64/97/670696497.db2.gz RIGRUZUUWSYMEN-UHFFFAOYSA-N -1 1 352.239 0.821 10 0 FCAEMM COC(=O)c1ccnc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843013182 670766031 /nfs/dbraw/zinc/76/60/31/670766031.db2.gz BHCRQNDOIUCWIG-UHFFFAOYSA-N -1 1 355.416 0.412 10 0 FCAEMM C[C@@H](OCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1nccn1C ZINC000843013661 670766162 /nfs/dbraw/zinc/76/61/62/670766162.db2.gz JAQYMBIWIXLMMC-GFCCVEGCSA-N -1 1 358.464 0.428 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843017331 670767237 /nfs/dbraw/zinc/76/72/37/670767237.db2.gz AZCMDGBKKUVERL-UHFFFAOYSA-N -1 1 367.471 0.867 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2cnn3ccccc23)CCC1 ZINC000843015825 670767345 /nfs/dbraw/zinc/76/73/45/670767345.db2.gz XWGURQLGDLZIIF-UHFFFAOYSA-N -1 1 350.444 0.807 10 0 FCAEMM Cc1nn(C)c2ncc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)cc12 ZINC000843017333 670767471 /nfs/dbraw/zinc/76/74/71/670767471.db2.gz AZLBRRSWUSSQLF-UHFFFAOYSA-N -1 1 365.459 0.821 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(-n3cnnc3)cc2)CCC1 ZINC000843017618 670768154 /nfs/dbraw/zinc/76/81/54/670768154.db2.gz GXEQQKSZSLCBIU-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM COC(=O)CSCCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018883 670768546 /nfs/dbraw/zinc/76/85/46/670768546.db2.gz WNLXTAQINVRDLB-UHFFFAOYSA-N -1 1 352.478 0.213 10 0 FCAEMM C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019381 670769255 /nfs/dbraw/zinc/76/92/55/670769255.db2.gz OVUBPPHEUDRHBM-JTQLQIEISA-N -1 1 361.493 0.226 10 0 FCAEMM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867344592 670891578 /nfs/dbraw/zinc/89/15/78/670891578.db2.gz GQQWFNHKQDAEJL-IUCAKERBSA-N -1 1 357.354 0.769 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1 ZINC000867345111 670892501 /nfs/dbraw/zinc/89/25/01/670892501.db2.gz XAJHSXBGDFJUPT-GSDQLPOLSA-N -1 1 351.416 0.965 10 0 FCAEMM C[S@](=O)(=NS(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000867354608 670921229 /nfs/dbraw/zinc/92/12/29/670921229.db2.gz GUPLRKDFOPYLEW-XMQCVEROSA-N -1 1 373.500 0.841 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)NCC[C@@]2(O)CCOC2)C1)C(F)(F)F ZINC000845455599 671006205 /nfs/dbraw/zinc/00/62/05/671006205.db2.gz SLBVWNHLZODXFK-BXUZGUMPSA-N -1 1 367.368 0.628 10 0 FCAEMM CCON(C)C(=O)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000845560731 671022459 /nfs/dbraw/zinc/02/24/59/671022459.db2.gz IHRZYGYUHOUONE-UHFFFAOYSA-N -1 1 368.356 0.496 10 0 FCAEMM CCCN1C[C@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000867420301 671108574 /nfs/dbraw/zinc/10/85/74/671108574.db2.gz SVJXUMJVTSZIKY-VIFPVBQESA-N -1 1 368.381 0.976 10 0 FCAEMM C[C@@]1(CS(=O)(=O)[N-]CC(=O)N=S(C)(C)=O)CC1(Cl)Cl ZINC000867428633 671124557 /nfs/dbraw/zinc/12/45/57/671124557.db2.gz MVCQNVCENHPVJX-QMMMGPOBSA-N -1 1 351.277 0.744 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cn1nc(CO)n(C)c1=S ZINC000848502545 671281269 /nfs/dbraw/zinc/28/12/69/671281269.db2.gz OEFPKKKSQNRLQH-RKDXNWHRSA-N -1 1 367.397 0.932 10 0 FCAEMM Cn1cc(CCOC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nn1 ZINC000851371040 671439169 /nfs/dbraw/zinc/43/91/69/671439169.db2.gz RFSCGKHTDOJEAM-UHFFFAOYSA-N -1 1 356.404 0.884 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1 ZINC000851699345 671459742 /nfs/dbraw/zinc/45/97/42/671459742.db2.gz BNFUOXRKFIHNHH-CMPLNLGQSA-N -1 1 359.304 0.747 10 0 FCAEMM CC[NH+](CC)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704391 671462399 /nfs/dbraw/zinc/46/23/99/671462399.db2.gz WBDSHEICKSSEIC-ONGXEEELSA-N -1 1 353.341 0.451 10 0 FCAEMM CC[NH+](CC)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704390 671462477 /nfs/dbraw/zinc/46/24/77/671462477.db2.gz WBDSHEICKSSEIC-MWLCHTKSSA-N -1 1 353.341 0.451 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2cccc(Cl)c2)COC1 ZINC000903175329 675918276 /nfs/dbraw/zinc/91/82/76/675918276.db2.gz OYJXGHIRPAAOKX-UHFFFAOYSA-N -1 1 353.849 0.573 10 0 FCAEMM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(=O)[nH]c1C ZINC000856417609 671687467 /nfs/dbraw/zinc/68/74/67/671687467.db2.gz AUVXBWBNEUOUIM-XCBNKYQSSA-N -1 1 360.336 0.916 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000857250343 671721984 /nfs/dbraw/zinc/72/19/84/671721984.db2.gz VXLGKNYWZBEKSI-UHFFFAOYSA-N -1 1 358.276 0.605 10 0 FCAEMM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1ccc(Br)nc1F ZINC000858873122 671780465 /nfs/dbraw/zinc/78/04/65/671780465.db2.gz PJFCCRRTHSSKAO-LURJTMIESA-N -1 1 373.225 0.449 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](OC)C(F)(F)F)on1 ZINC000858981097 671787342 /nfs/dbraw/zinc/78/73/42/671787342.db2.gz AJYBEFXPFRVVHL-VIFPVBQESA-N -1 1 360.310 0.848 10 0 FCAEMM COC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859008534 671788904 /nfs/dbraw/zinc/78/89/04/671788904.db2.gz WCFXLVPHGGTMHU-JTQLQIEISA-N -1 1 357.201 0.659 10 0 FCAEMM COCC(COC)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859179424 671798389 /nfs/dbraw/zinc/79/83/89/671798389.db2.gz RUTRSOYJZYYHNB-UHFFFAOYSA-N -1 1 357.201 0.923 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1ccc(Br)nc1F ZINC000859286684 671810171 /nfs/dbraw/zinc/81/01/71/671810171.db2.gz IWEFWHTZDSJTSA-YUMQZZPRSA-N -1 1 369.212 0.801 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)c1C(F)(F)F ZINC000867443943 672316574 /nfs/dbraw/zinc/31/65/74/672316574.db2.gz CWHIOQLGXRCUMH-ZETCQYMHSA-N -1 1 361.367 0.293 10 0 FCAEMM Cn1c(=O)ccc2c1CCC[C@@H]2[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867465081 672320949 /nfs/dbraw/zinc/32/09/49/672320949.db2.gz GOSYZONFVMLGQL-LBPRGKRZSA-N -1 1 359.473 0.859 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CCOC1 ZINC000867497520 672326386 /nfs/dbraw/zinc/32/63/86/672326386.db2.gz RBMVPTSRNFKOHU-RKDXNWHRSA-N -1 1 357.354 0.769 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3sccc3Cl)COCCN12 ZINC000867750013 672363038 /nfs/dbraw/zinc/36/30/38/672363038.db2.gz RYLPGJWJRMVUCX-LLVKDONJSA-N -1 1 352.821 0.901 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000867775021 672366356 /nfs/dbraw/zinc/36/63/56/672366356.db2.gz UFYNOZACBCGECO-PRHODGIISA-N -1 1 365.354 0.830 10 0 FCAEMM O=C([C@H]1CCS(=O)(=O)N1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163338 672474848 /nfs/dbraw/zinc/47/48/48/672474848.db2.gz AGBIKMVIFONWEK-CYBMUJFWSA-N -1 1 373.862 0.382 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCCOC2CCOCC2)CCC1 ZINC000870446078 672492660 /nfs/dbraw/zinc/49/26/60/672492660.db2.gz BNCXSFZOBGGZGO-UHFFFAOYSA-N -1 1 362.492 0.893 10 0 FCAEMM CC(C)C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CCNC1=O ZINC000870446794 672493227 /nfs/dbraw/zinc/49/32/27/672493227.db2.gz KYAWXKYQPXWKEP-INIZCTEOSA-N -1 1 359.492 0.469 10 0 FCAEMM C[C@@H](O)[C@H](O)CNC(=O)c1ccc(I)cc1[O-] ZINC000871122715 672529545 /nfs/dbraw/zinc/52/95/45/672529545.db2.gz KBGTTXCMQKUIID-LHLIQPBNSA-N -1 1 351.140 0.468 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000871212209 672536231 /nfs/dbraw/zinc/53/62/31/672536231.db2.gz KRLDRKPUBXCUTD-UWVGGRQHSA-N -1 1 372.365 0.412 10 0 FCAEMM COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)C2)C1 ZINC000871385323 672543597 /nfs/dbraw/zinc/54/35/97/672543597.db2.gz ZPYBGYFXQUPTAC-OAHLLOKOSA-N -1 1 361.383 0.552 10 0 FCAEMM COC[C@]1(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CNCCO1 ZINC000871669890 672565839 /nfs/dbraw/zinc/56/58/39/672565839.db2.gz ZUZFUJKSQBZGDI-QAPCUYQASA-N -1 1 350.415 0.584 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC23CC(O)C3)c(Br)n1C ZINC000724987547 675450051 /nfs/dbraw/zinc/45/00/51/675450051.db2.gz UWKANLKPLCXFAL-JKDSDDBFSA-N -1 1 350.238 0.683 10 0 FCAEMM CCN1CC[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1=O ZINC000801799738 675809126 /nfs/dbraw/zinc/80/91/26/675809126.db2.gz JWQGPKBKPCWJAJ-NSHDSACASA-N -1 1 364.368 0.707 10 0 FCAEMM CC[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001746184676 1192331673 /nfs/dbraw/zinc/33/16/73/1192331673.db2.gz DDGUDWKJTRLHPJ-VHCOLVSPSA-N -1 1 364.402 0.711 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000327468175 1169968322 /nfs/dbraw/zinc/96/83/22/1169968322.db2.gz ISGWXFNQCYJYFH-UHFFFAOYSA-N -1 1 366.395 0.574 10 0 FCAEMM C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001719707487 1179595741 /nfs/dbraw/zinc/59/57/41/1179595741.db2.gz LMUITLSPTFRMKN-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM O=C([N-]NC(=O)c1n[nH]c(=O)c2ccccc21)c1c(O)cc(F)cc1F ZINC000066041483 1181432273 /nfs/dbraw/zinc/43/22/73/1181432273.db2.gz CQBGJXQULABPBL-UHFFFAOYSA-N -1 1 360.276 0.982 10 0 FCAEMM C[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H]1CCO ZINC001687391336 1188352683 /nfs/dbraw/zinc/35/26/83/1188352683.db2.gz ZDDXLXOIRLQGGP-BXUZGUMPSA-N -1 1 350.419 0.947 10 0 FCAEMM O=C(CNC(=O)C1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001719888574 1188412761 /nfs/dbraw/zinc/41/27/61/1188412761.db2.gz ZFDCUDDKRYIOAM-UPJWGTAASA-N -1 1 358.398 0.175 10 0 FCAEMM O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000910686534 1195833830 /nfs/dbraw/zinc/83/38/30/1195833830.db2.gz CVDRCTRLNRPQDI-RDJZCZTQSA-N -1 1 371.441 0.212 10 0 FCAEMM COC(=O)c1cnc(C(=O)[N-]c2ncn(CC(=O)OC(C)(C)C)n2)cn1 ZINC000592652587 1196572437 /nfs/dbraw/zinc/57/24/37/1196572437.db2.gz FGRJEHYHNYFSNG-UHFFFAOYSA-N -1 1 362.346 0.449 10 0 FCAEMM COc1cc2cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)[nH]c2cc1OC ZINC000735657811 1197871599 /nfs/dbraw/zinc/87/15/99/1197871599.db2.gz YVQRNNPTPAAZPP-CQSZACIVSA-N -1 1 358.358 0.912 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n[n-]1 ZINC000787907188 1200917917 /nfs/dbraw/zinc/91/79/17/1200917917.db2.gz YUEACXNOMPQIME-LBPRGKRZSA-N -1 1 371.397 0.959 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000787907188 1200917929 /nfs/dbraw/zinc/91/79/29/1200917929.db2.gz YUEACXNOMPQIME-LBPRGKRZSA-N -1 1 371.397 0.959 10 0 FCAEMM CCc1cc2c(COC(=O)CN3CCOCC3=O)cc(=O)oc2cc1[O-] ZINC000790743372 1201111675 /nfs/dbraw/zinc/11/16/75/1201111675.db2.gz MQUZEQMPWNMPQW-UHFFFAOYSA-N -1 1 361.350 0.963 10 0 FCAEMM COCCOCc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)ccc1F ZINC001170384305 1201208995 /nfs/dbraw/zinc/20/89/95/1201208995.db2.gz RWCQHZHMOMROHT-CQSZACIVSA-N -1 1 365.365 0.716 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000793857689 1201270664 /nfs/dbraw/zinc/27/06/64/1201270664.db2.gz YGXMRLJLEQGEAW-UHFFFAOYSA-N -1 1 359.317 0.432 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CC3CS(=O)(=O)C3)CC2)n1 ZINC001626498806 1201287836 /nfs/dbraw/zinc/28/78/36/1201287836.db2.gz QDYSYXMAQDJLHC-UHFFFAOYSA-N -1 1 370.431 0.122 10 0 FCAEMM COCCNC(=O)C1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC001129646153 1201366315 /nfs/dbraw/zinc/36/63/15/1201366315.db2.gz SUCJWNUHNLKLRP-UHFFFAOYSA-N -1 1 361.402 0.006 10 0 FCAEMM CNC(=O)CCOC1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806482614 1202746070 /nfs/dbraw/zinc/74/60/70/1202746070.db2.gz OETRMERFNBSUOT-UHFFFAOYSA-N -1 1 360.418 0.491 10 0 FCAEMM COc1ccccc1[C@H](O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806839114 1202782360 /nfs/dbraw/zinc/78/23/60/1202782360.db2.gz ABCLBYKUVUDWRP-CQSZACIVSA-N -1 1 369.381 0.139 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@]3(O)CCCC(C)(C)C3)ccnc1-2 ZINC000806992354 1202801308 /nfs/dbraw/zinc/80/13/08/1202801308.db2.gz QNVXQNCMKQWVBC-SFHVURJKSA-N -1 1 359.430 0.728 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000813445491 1202995094 /nfs/dbraw/zinc/99/50/94/1202995094.db2.gz YOHOCDXIXBPZHD-QWRGUYRKSA-N -1 1 370.385 0.305 10 0 FCAEMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@](C)(O)c1ccccc1 ZINC000846084386 1204582849 /nfs/dbraw/zinc/58/28/49/1204582849.db2.gz CRRAJBMHLGCOCC-HXPMCKFVSA-N -1 1 367.409 0.693 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCc2cnn(C)n2)n[n-]1 ZINC000846642079 1204647788 /nfs/dbraw/zinc/64/77/88/1204647788.db2.gz BAXYWDFHVGTMOB-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCc2cnn(C)n2)[n-]1 ZINC000846642079 1204647792 /nfs/dbraw/zinc/64/77/92/1204647792.db2.gz BAXYWDFHVGTMOB-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCc2cnn(C)n2)n1 ZINC000846642079 1204647796 /nfs/dbraw/zinc/64/77/96/1204647796.db2.gz BAXYWDFHVGTMOB-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM C[C@]1(C2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)NC(=O)NC1=O ZINC001148005808 1204816590 /nfs/dbraw/zinc/81/65/90/1204816590.db2.gz FAUVVNOCXDYWSZ-QGZVFWFLSA-N -1 1 359.386 0.510 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001175213826 1206301812 /nfs/dbraw/zinc/30/18/12/1206301812.db2.gz HGCIJLWJGXFJJK-KSSFIOAISA-N -1 1 363.414 0.989 10 0 FCAEMM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175553039 1206305870 /nfs/dbraw/zinc/30/58/70/1206305870.db2.gz SPRNWMMIHJTWHN-ACLQVGRQSA-N -1 1 369.364 0.648 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cccc(OCC(N)=O)c2)[n-]c1=O ZINC001178681981 1206361950 /nfs/dbraw/zinc/36/19/50/1206361950.db2.gz GVURIWVLQMFLSJ-UHFFFAOYSA-N -1 1 360.370 0.720 10 0 FCAEMM COc1cnc(C2(NC(=O)CNC(=O)N3CCCC3)CCCC2)[n-]c1=O ZINC001179194826 1206378212 /nfs/dbraw/zinc/37/82/12/1206378212.db2.gz TUAMELBHMVZAKI-UHFFFAOYSA-N -1 1 363.418 0.882 10 0 FCAEMM C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489610515 1208973055 /nfs/dbraw/zinc/97/30/55/1208973055.db2.gz ARXKMBYSLAKPCL-KKZNHRDASA-N -1 1 361.320 0.677 10 0 FCAEMM COC[C@@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001489906392 1209147361 /nfs/dbraw/zinc/14/73/61/1209147361.db2.gz UITBREHJICFKRP-OUCADQQQSA-N -1 1 351.403 0.463 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001490578325 1209378826 /nfs/dbraw/zinc/37/88/26/1209378826.db2.gz AWQVQVGVGQYWJK-OPDFLTKYSA-N -1 1 372.429 0.716 10 0 FCAEMM C[C@H]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000854469963 1209629894 /nfs/dbraw/zinc/62/98/94/1209629894.db2.gz WELMCMPYSFRDBC-GUBZILKMSA-N -1 1 374.367 0.269 10 0 FCAEMM CN1C[C@@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)NC1=O ZINC000854966760 1209653224 /nfs/dbraw/zinc/65/32/24/1209653224.db2.gz ONVLFDFFUSXKQG-QWRGUYRKSA-N -1 1 370.331 0.646 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000859277765 1209815115 /nfs/dbraw/zinc/81/51/15/1209815115.db2.gz AQEZHQQPXISSJK-GFCCVEGCSA-N -1 1 366.422 0.747 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000859277766 1209815210 /nfs/dbraw/zinc/81/52/10/1209815210.db2.gz AQEZHQQPXISSJK-LBPRGKRZSA-N -1 1 366.422 0.747 10 0 FCAEMM COc1ccc(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1OC(F)F ZINC000859279152 1209815342 /nfs/dbraw/zinc/81/53/42/1209815342.db2.gz ZOFUEKXCAXRIKG-GFCCVEGCSA-N -1 1 369.328 0.952 10 0 FCAEMM O=C(COC(=O)c1cn(C[C@H]2CCOC2)nn1)[N-]C(=O)c1ccccc1 ZINC000860127664 1209840277 /nfs/dbraw/zinc/84/02/77/1209840277.db2.gz WCUUSVPEWFSZMU-GFCCVEGCSA-N -1 1 358.354 0.428 10 0 FCAEMM C[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000930515321 1211711327 /nfs/dbraw/zinc/71/13/27/1211711327.db2.gz KYWCUEDOOGBEMA-BONVTDFDSA-N -1 1 371.384 0.164 10 0 FCAEMM C[C@@H]1CCN(C[C@@H]2CN=C(c3cnn(C)c3)O2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000931074328 1211738905 /nfs/dbraw/zinc/73/89/05/1211738905.db2.gz COLCTKZPZFQGDV-WXHSDQCUSA-N -1 1 373.379 0.954 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801130201 1218069716 /nfs/dbraw/zinc/06/97/16/1218069716.db2.gz KZLPQNFWXXKGHQ-LJQANCHMSA-N -1 1 357.410 0.479 10 0 FCAEMM Cn1ccc(Nc2ccc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cc2)n1 ZINC000826833508 1218907546 /nfs/dbraw/zinc/90/75/46/1218907546.db2.gz DNBHVWHIXBVELF-ZDUSSCGKSA-N -1 1 354.374 0.891 10 0 FCAEMM O=C(COC(=O)c1c([O-])cc(F)cc1F)N1CCN(C(=O)C2CC2)CC1 ZINC000749278900 1219784440 /nfs/dbraw/zinc/78/44/40/1219784440.db2.gz LJGBWIAWYMUNDA-UHFFFAOYSA-N -1 1 368.336 0.908 10 0 FCAEMM O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148063 1221279850 /nfs/dbraw/zinc/27/98/50/1221279850.db2.gz LGYLYBFRGPOPRR-QWHCGFSZSA-N -1 1 371.397 0.585 10 0 FCAEMM Cc1ccc(N2C[C@H](C(=O)N3CCC(O)(c4nn[n-]n4)CC3)CC2=O)cc1 ZINC000798148897 1221280061 /nfs/dbraw/zinc/28/00/61/1221280061.db2.gz WWROHPUNRRWZEG-CYBMUJFWSA-N -1 1 370.413 0.371 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](c3cccnc3)C3CC3)ccnc1-2 ZINC001117429239 1221544789 /nfs/dbraw/zinc/54/47/89/1221544789.db2.gz ZUGUBIAJWKZKEB-HNNXBMFYSA-N -1 1 350.382 0.943 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)nc2n1 ZINC001118784860 1221829869 /nfs/dbraw/zinc/82/98/69/1221829869.db2.gz YQDPXPLYFMOVFV-NSHDSACASA-N -1 1 367.369 0.108 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)/C=C\c3ccc4c(c3)OCO4)CC2)CCOC1 ZINC001119574495 1221934686 /nfs/dbraw/zinc/93/46/86/1221934686.db2.gz CZGNMBIUVVOYJR-GHMGLMHVSA-N -1 1 374.393 0.816 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001138057290 1222476628 /nfs/dbraw/zinc/47/66/28/1222476628.db2.gz KNPNQTOGOKMKOZ-UDZFHETQSA-N -1 1 373.335 0.573 10 0 FCAEMM CO[C@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H]1CCOC1 ZINC001328437432 1265548868 /nfs/dbraw/zinc/54/88/68/1265548868.db2.gz FMPKVRLFBZLVNA-GDBMZVCRSA-N -1 1 372.425 0.851 10 0 FCAEMM CO[C@@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H]1CCOC1 ZINC001328437435 1265548898 /nfs/dbraw/zinc/54/88/98/1265548898.db2.gz FMPKVRLFBZLVNA-ZBFHGGJFSA-N -1 1 372.425 0.851 10 0 FCAEMM C[C@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329122423 1265697259 /nfs/dbraw/zinc/69/72/59/1265697259.db2.gz YSLTVKAOYMCZHI-WKZARQIDSA-N -1 1 365.474 0.837 10 0 FCAEMM C/C=C(/C)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001519934774 1265807851 /nfs/dbraw/zinc/80/78/51/1265807851.db2.gz FFVRRAQIPQWVQN-IZWIXQHKSA-N -1 1 362.430 0.389 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H]1CCCN1CC(F)F ZINC001329959721 1265907952 /nfs/dbraw/zinc/90/79/52/1265907952.db2.gz CXUJCVOBZXYJKI-SNVBAGLBSA-N -1 1 371.388 0.784 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)COC[C@H]2CCCO2)CCN1C(=O)c1ncccc1[O-] ZINC001520829058 1266014187 /nfs/dbraw/zinc/01/41/87/1266014187.db2.gz CTOMEOPGOLZURO-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC001521743467 1266169923 /nfs/dbraw/zinc/16/99/23/1266169923.db2.gz LOFJMZSHZCFTSW-JTQLQIEISA-N -1 1 351.432 0.799 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CC1OCCCO1 ZINC001521894934 1266204014 /nfs/dbraw/zinc/20/40/14/1266204014.db2.gz YHHVUYZUEFEFFW-CHWSQXEVSA-N -1 1 363.414 0.765 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCOC1(C)C ZINC001129128349 1259322460 /nfs/dbraw/zinc/32/24/60/1259322460.db2.gz HEFFLFJDJASJEV-CQSZACIVSA-N -1 1 364.446 0.944 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC2(CCNC2=O)CC1 ZINC001254496869 1259887931 /nfs/dbraw/zinc/88/79/31/1259887931.db2.gz NJECRBKSJWOTPP-UHFFFAOYSA-N -1 1 361.402 0.067 10 0 FCAEMM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001337718214 1260466847 /nfs/dbraw/zinc/46/68/47/1260466847.db2.gz DUFBXPNDZJKWTM-RWMBFGLXSA-N -1 1 361.423 0.859 10 0 FCAEMM CCCCC(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001281944830 1261302512 /nfs/dbraw/zinc/30/25/12/1261302512.db2.gz QXMIEIQEEURPIK-DGCLKSJQSA-N -1 1 358.402 0.281 10 0 FCAEMM CC(=O)NCCNC(=O)CCC(=O)NCCc1c(F)cc([O-])cc1F ZINC001472041826 1261428230 /nfs/dbraw/zinc/42/82/30/1261428230.db2.gz TZDAYCKMHGNPCR-UHFFFAOYSA-N -1 1 357.357 0.362 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2nccn2C)CCN1C(=O)c1ncccc1[O-] ZINC001282375935 1261435871 /nfs/dbraw/zinc/43/58/71/1261435871.db2.gz BKLFBPOOIHBWCK-OLZOCXBDSA-N -1 1 357.414 0.873 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC(C)(F)F)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282389411 1261441783 /nfs/dbraw/zinc/44/17/83/1261441783.db2.gz XICGESHRGFFCJD-BDAKNGLRSA-N -1 1 368.344 0.182 10 0 FCAEMM CC[C@](O)(CCC(F)(F)F)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001472154756 1261443970 /nfs/dbraw/zinc/44/39/70/1261443970.db2.gz LYINKOMHOIQTHJ-ZDUSSCGKSA-N -1 1 351.325 0.527 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3cn(C)nn3)C2)o1 ZINC001472328177 1261459497 /nfs/dbraw/zinc/45/94/97/1261459497.db2.gz KPGKUDNRNFPZEC-JTQLQIEISA-N -1 1 353.404 0.336 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccc(Cn3cncn3)c2)n[n-]1 ZINC001472545239 1261473902 /nfs/dbraw/zinc/47/39/02/1261473902.db2.gz IKLJOPLEWJCPQE-UHFFFAOYSA-N -1 1 355.358 0.551 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(Cn3cncn3)c2)n1 ZINC001472545239 1261473905 /nfs/dbraw/zinc/47/39/05/1261473905.db2.gz IKLJOPLEWJCPQE-UHFFFAOYSA-N -1 1 355.358 0.551 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282722356 1261597774 /nfs/dbraw/zinc/59/77/74/1261597774.db2.gz RVDSUOLMERYRLI-IHCYQXPCSA-N -1 1 370.413 0.636 10 0 FCAEMM CCCN(CCNC(=O)[C@@H]1C[C@H]1CC)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001284718462 1261780696 /nfs/dbraw/zinc/78/06/96/1261780696.db2.gz ICZTZWFVCYLGPK-VXGBXAGGSA-N -1 1 360.418 0.432 10 0 FCAEMM CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C)C(=O)c1ncccc1[O-] ZINC001285365367 1261834582 /nfs/dbraw/zinc/83/45/82/1261834582.db2.gz ZJTQOJSPPLXTBM-CHWSQXEVSA-N -1 1 357.414 0.855 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001286098417 1261912058 /nfs/dbraw/zinc/91/20/58/1261912058.db2.gz XWNIQEUNTOEUSS-SNUQEOBHSA-N -1 1 362.430 0.080 10 0 FCAEMM CCOc1ccc(-c2cn(C3CN(C(=O)CCc4nn[n-]n4)C3)nn2)cc1 ZINC001296099377 1262791572 /nfs/dbraw/zinc/79/15/72/1262791572.db2.gz RLOBOZQYCKDDHK-UHFFFAOYSA-N -1 1 368.401 0.873 10 0 FCAEMM Cc1noc(-c2ccc(CNC(=O)CCn3cc[n-]c(=O)c3=O)cc2)n1 ZINC001296110174 1262792880 /nfs/dbraw/zinc/79/28/80/1262792880.db2.gz ZUOUTYMMFBVYNL-UHFFFAOYSA-N -1 1 355.354 0.602 10 0 FCAEMM Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc([O-])c(F)c3F)[C@@H](O)C(=O)N2C)cn1 ZINC001297821983 1262895308 /nfs/dbraw/zinc/89/53/08/1262895308.db2.gz WVJUWNDGSIWUGY-LERXQTSPSA-N -1 1 366.324 0.533 10 0 FCAEMM CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H](Cc2ccccc2)C1 ZINC001300287618 1262986251 /nfs/dbraw/zinc/98/62/51/1262986251.db2.gz GNBJAHFIKMPQIK-MRXNPFEDSA-N -1 1 368.437 0.902 10 0 FCAEMM O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302936493 1263066254 /nfs/dbraw/zinc/06/62/54/1263066254.db2.gz ITJNLQFWYBJYNS-NURSFMCSSA-N -1 1 371.319 0.327 10 0 FCAEMM CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(Cc3nn[n-]n3)CC(C)C)c2C1 ZINC001303200923 1263085212 /nfs/dbraw/zinc/08/52/12/1263085212.db2.gz FKLXTPRDCIEEPN-CYBMUJFWSA-N -1 1 374.449 0.393 10 0 FCAEMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1)[C@@H]1C[C@H]1c1ccco1 ZINC001484869033 1263491110 /nfs/dbraw/zinc/49/11/10/1263491110.db2.gz HXCCTNHJBZYBIH-VXGBXAGGSA-N -1 1 361.402 0.662 10 0 FCAEMM O=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001318395691 1263568675 /nfs/dbraw/zinc/56/86/75/1263568675.db2.gz MKKPTSWSYRDZGT-ZDUSSCGKSA-N -1 1 353.342 0.576 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)Cn1cncn1 ZINC001322053415 1264138437 /nfs/dbraw/zinc/13/84/37/1264138437.db2.gz ZIVHMPACOUSTNJ-NSHDSACASA-N -1 1 353.386 0.479 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001322716382 1264248947 /nfs/dbraw/zinc/24/89/47/1264248947.db2.gz HYFMBMOKTCBNKO-OKILXGFUSA-N -1 1 356.382 0.309 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001322782093 1264263829 /nfs/dbraw/zinc/26/38/29/1264263829.db2.gz UNDJRVDFENZKER-GFCCVEGCSA-N -1 1 355.354 0.017 10 0 FCAEMM CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001507508524 1264368736 /nfs/dbraw/zinc/36/87/36/1264368736.db2.gz CCAWUWXITSGUHL-LBTNJELSSA-N -1 1 359.430 0.613 10 0 FCAEMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001507985261 1264391159 /nfs/dbraw/zinc/39/11/59/1264391159.db2.gz YJUIFYUMMRSDFU-DYEKYZERSA-N -1 1 351.451 0.946 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)C(=O)c1ncccc1[O-] ZINC001510234651 1264488550 /nfs/dbraw/zinc/48/85/50/1264488550.db2.gz DUGJMYZHPSKVEL-HIFRSBDPSA-N -1 1 365.430 0.807 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001522259271 1266447627 /nfs/dbraw/zinc/44/76/27/1266447627.db2.gz VZRCMSUIBYFSOT-RQJABVFESA-N -1 1 360.414 0.564 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001522261793 1266448743 /nfs/dbraw/zinc/44/87/43/1266448743.db2.gz SUBQRSSCZUCQSY-SFTQSGBHSA-N -1 1 372.429 0.716 10 0 FCAEMM COC1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCOCC1 ZINC001333310226 1266575514 /nfs/dbraw/zinc/57/55/14/1266575514.db2.gz VOFUQGYYGYDEND-UHFFFAOYSA-N -1 1 372.368 0.641 10 0 FCAEMM CN1CCN(C)[C@@H](CNC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])C1 ZINC001333318065 1266577416 /nfs/dbraw/zinc/57/74/16/1266577416.db2.gz PJPKQDMDBJCZKY-MAUKXSAKSA-N -1 1 366.437 0.757 10 0 FCAEMM CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001333363364 1266586944 /nfs/dbraw/zinc/58/69/44/1266586944.db2.gz CCOQZRUVOYXYBO-KSSFIOAISA-N -1 1 362.430 0.274 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@@H](C)[S@](C)=O ZINC001333519749 1266622148 /nfs/dbraw/zinc/62/21/48/1266622148.db2.gz CLUONGOYGSTPJQ-NDHGSNPTSA-N -1 1 362.455 0.956 10 0 FCAEMM CN(c1nnc(-c2nnn[n-]2)n1C[C@H]1CCCCO1)[C@H]1CCSC1 ZINC001526379102 1266806017 /nfs/dbraw/zinc/80/60/17/1266806017.db2.gz TYDAFYBYVRVVSY-WDEREUQCSA-N -1 1 350.452 0.969 10 0 FCAEMM CN(c1nnc(-c2nn[n-]n2)n1C[C@H]1CCCCO1)[C@H]1CCSC1 ZINC001526379102 1266806031 /nfs/dbraw/zinc/80/60/31/1266806031.db2.gz TYDAFYBYVRVVSY-WDEREUQCSA-N -1 1 350.452 0.969 10 0 FCAEMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Br)nc2F)n1C ZINC001334958781 1267249635 /nfs/dbraw/zinc/24/96/35/1267249635.db2.gz ZFJOGMQDPFCSBW-UHFFFAOYSA-N -1 1 364.200 0.899 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)COCc3ccc(OC)nc3)nc2n1 ZINC001534154838 1267251291 /nfs/dbraw/zinc/25/12/91/1267251291.db2.gz RXUYIDXCNABLMH-UHFFFAOYSA-N -1 1 372.385 0.929 10 0 FCAEMM CSC[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)c1)C(=O)[O-] ZINC001334963965 1267251368 /nfs/dbraw/zinc/25/13/68/1267251368.db2.gz XKGGSWMVNDOJAE-ZDUSSCGKSA-N -1 1 367.475 0.449 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-]Cc2nc(C(=O)OC)co2)CCOCC1 ZINC001334970729 1267256359 /nfs/dbraw/zinc/25/63/59/1267256359.db2.gz BMRDJJJUWTUVRX-UHFFFAOYSA-N -1 1 362.404 0.466 10 0 FCAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001534787025 1267271419 /nfs/dbraw/zinc/27/14/19/1267271419.db2.gz SSNHVKQDPVLKQU-UHFFFAOYSA-N -1 1 351.344 0.283 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)Cn2ccc(C(=O)OC)n2)[n-]c1Cl ZINC001538200176 1267395420 /nfs/dbraw/zinc/39/54/20/1267395420.db2.gz FFRNJLQTKIJWOI-UHFFFAOYSA-N -1 1 355.738 0.862 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001542086729 1267488715 /nfs/dbraw/zinc/48/87/15/1267488715.db2.gz LSZJFDWZTGRTDX-LLVKDONJSA-N -1 1 369.472 0.562 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001545951402 1267630463 /nfs/dbraw/zinc/63/04/63/1267630463.db2.gz RCZBDIYJSYVWHJ-UHFFFAOYSA-N -1 1 357.775 0.853 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CSCCSC2)c1 ZINC001546106880 1267634819 /nfs/dbraw/zinc/63/48/19/1267634819.db2.gz PXDDBWKFPLECQK-UHFFFAOYSA-N -1 1 363.486 0.675 10 0 FCAEMM C=CC(=O)N(C)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546114302 1267636454 /nfs/dbraw/zinc/63/64/54/1267636454.db2.gz DMQFYGPMHLBLAF-UHFFFAOYSA-N -1 1 353.400 0.416 10 0 FCAEMM COc1cccc(OC)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001338387813 1267926290 /nfs/dbraw/zinc/92/62/90/1267926290.db2.gz RXJBUAUSSHRRAI-UHFFFAOYSA-N -1 1 358.416 0.485 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001339500912 1268254524 /nfs/dbraw/zinc/25/45/24/1268254524.db2.gz LQAUSRJNGHPWGZ-KRWDZBQOSA-N -1 1 361.402 0.602 10 0 FCAEMM Cn1cc(Br)c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)n1 ZINC001339604048 1268279763 /nfs/dbraw/zinc/27/97/63/1268279763.db2.gz WLUPLRZHMYAJRJ-VIFPVBQESA-N -1 1 359.224 0.595 10 0 FCAEMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001556436151 1268853865 /nfs/dbraw/zinc/85/38/65/1268853865.db2.gz NHUNOYNXUGSFCE-AAEUAGOBSA-N -1 1 366.443 0.504 10 0 FCAEMM CSc1ncc(C(=O)NCc2ncccc2S(C)(=O)=O)c(=O)[n-]1 ZINC001556487074 1268858851 /nfs/dbraw/zinc/85/88/51/1268858851.db2.gz JZAXBDAIXRDPPR-UHFFFAOYSA-N -1 1 354.413 0.633 10 0 FCAEMM CCOC(=O)C1([S@](C)=O)CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001556656664 1268877445 /nfs/dbraw/zinc/87/74/45/1268877445.db2.gz LPVSFXGDNVOWTM-VWLOTQADSA-N -1 1 367.423 0.878 10 0 FCAEMM CCOC(=O)C1([S@@](C)=O)CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001556656663 1268878354 /nfs/dbraw/zinc/87/83/54/1268878354.db2.gz LPVSFXGDNVOWTM-RUZDIDTESA-N -1 1 367.423 0.878 10 0 FCAEMM COCCOC1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CCOCC1 ZINC001556663829 1268879076 /nfs/dbraw/zinc/87/90/76/1268879076.db2.gz VSCXODYKRKUWJV-UHFFFAOYSA-N -1 1 366.443 0.960 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001557251501 1268937987 /nfs/dbraw/zinc/93/79/87/1268937987.db2.gz FZBWDYFGGPYXBC-XHNCKOQMSA-N -1 1 364.324 0.033 10 0 FCAEMM C[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001557247664 1268938151 /nfs/dbraw/zinc/93/81/51/1268938151.db2.gz BYIVZEKIDFKGCJ-UPJWGTAASA-N -1 1 350.419 0.131 10 0 FCAEMM CS(=O)(=O)CC1(NC(=O)c2c([O-])cnc3c(F)cccc32)COC1 ZINC001557244297 1268938363 /nfs/dbraw/zinc/93/83/63/1268938363.db2.gz ZVSGQKUHUDWOKF-UHFFFAOYSA-N -1 1 354.359 0.623 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC001557439258 1268947391 /nfs/dbraw/zinc/94/73/91/1268947391.db2.gz BYLLFFXINNUJIT-MNOVXSKESA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)[n-]1 ZINC001557439258 1268947396 /nfs/dbraw/zinc/94/73/96/1268947396.db2.gz BYLLFFXINNUJIT-MNOVXSKESA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2)n1 ZINC001557439258 1268947400 /nfs/dbraw/zinc/94/74/00/1268947400.db2.gz BYLLFFXINNUJIT-MNOVXSKESA-N -1 1 359.386 0.977 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnn3)CC2)o1 ZINC001557709588 1268970616 /nfs/dbraw/zinc/97/06/16/1268970616.db2.gz YAUFWENQXHKGKV-NSHDSACASA-N -1 1 353.404 0.647 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CC(c2ccccn2)=NO1 ZINC001558049557 1269012567 /nfs/dbraw/zinc/01/25/67/1269012567.db2.gz UIHQIZRRELNCAG-AWEZNQCLSA-N -1 1 355.354 0.459 10 0 FCAEMM Cc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)ccc1-n1cnnn1 ZINC001558049798 1269014205 /nfs/dbraw/zinc/01/42/05/1269014205.db2.gz VUWQWXJJTNZWGW-UHFFFAOYSA-N -1 1 367.369 0.469 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001558163614 1269039860 /nfs/dbraw/zinc/03/98/60/1269039860.db2.gz VKXJAIVGSUMVIR-QGZVFWFLSA-N -1 1 371.401 0.553 10 0 FCAEMM COC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nn[n-]n1 ZINC001558339571 1269066909 /nfs/dbraw/zinc/06/69/09/1269066909.db2.gz GZUQQCQIXZXMCN-GXFFZTMASA-N -1 1 362.365 0.504 10 0 FCAEMM COC[C@H](NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)c1nn[n-]n1 ZINC001558339922 1269068185 /nfs/dbraw/zinc/06/81/85/1269068185.db2.gz QIILSPJSLPOLQF-LBPRGKRZSA-N -1 1 368.344 0.432 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C2=CN(C)S(=O)(=O)N=C2C)[n-]c1=O ZINC001558500727 1269101938 /nfs/dbraw/zinc/10/19/38/1269101938.db2.gz ZDBPGHMNOAHKQD-UHFFFAOYSA-N -1 1 369.403 0.077 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2nnc3ccc(N(C)C)nn32)c1 ZINC001558524378 1269105251 /nfs/dbraw/zinc/10/52/51/1269105251.db2.gz AQOCKJLYGPJABQ-UHFFFAOYSA-N -1 1 354.370 0.947 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC[C@@H]1COCCN1C ZINC001565216388 1269457470 /nfs/dbraw/zinc/45/74/70/1269457470.db2.gz VJPHOOIXWLUHSA-TUAOUCFPSA-N -1 1 366.384 0.558 10 0 FCAEMM CC(C)[C@]1(CO)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001565248551 1269459339 /nfs/dbraw/zinc/45/93/39/1269459339.db2.gz XXRVPJQAFCEFTL-QGZVFWFLSA-N -1 1 350.419 0.805 10 0 FCAEMM Cc1ccccc1C[C@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248204 1269459423 /nfs/dbraw/zinc/45/94/23/1269459423.db2.gz ODUDXMLOIIJDPD-CQSZACIVSA-N -1 1 372.425 0.966 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)OC)CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001566008578 1269545152 /nfs/dbraw/zinc/54/51/52/1269545152.db2.gz KLDPZDUWMBAHGX-VHDGCEQUSA-N -1 1 361.446 0.917 10 0 FCAEMM CCO[C@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C1CCCC1 ZINC001566097760 1269600691 /nfs/dbraw/zinc/60/06/91/1269600691.db2.gz KHLXPPAYCBBWOJ-INWMFGNUSA-N -1 1 365.478 0.783 10 0 FCAEMM CCO[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1)C(C)C ZINC001342842339 1269638455 /nfs/dbraw/zinc/63/84/55/1269638455.db2.gz RLRQMSBAQWVQIZ-XNRPHZJLSA-N -1 1 365.430 0.804 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(I)cc1[O-])C(N)=O ZINC001566478559 1269648289 /nfs/dbraw/zinc/64/82/89/1269648289.db2.gz RIKXYNKFBDLSEH-MRVPVSSYSA-N -1 1 364.139 0.227 10 0 FCAEMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cnncc1[O-] ZINC001566485542 1269648163 /nfs/dbraw/zinc/64/81/63/1269648163.db2.gz TXGWXRZKQBMQFK-UHFFFAOYSA-N -1 1 371.397 0.730 10 0 FCAEMM CCN1CC[C@@H]1C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001567789424 1269708360 /nfs/dbraw/zinc/70/83/60/1269708360.db2.gz CQXCSPPYKFUNKF-LLVKDONJSA-N -1 1 372.413 0.058 10 0 FCAEMM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001569485959 1269787643 /nfs/dbraw/zinc/78/76/43/1269787643.db2.gz LFBUZEXBZRVZKC-OAHLLOKOSA-N -1 1 360.414 0.280 10 0 FCAEMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])[C@H]2C1 ZINC001570025140 1269832884 /nfs/dbraw/zinc/83/28/84/1269832884.db2.gz HVARGEQFAQVRSB-IHRRRGAJSA-N -1 1 360.414 0.280 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1nnc2ccccc2c1O ZINC001573262652 1270715824 /nfs/dbraw/zinc/71/58/24/1270715824.db2.gz CGAUNIRAGDZWKB-QWHCGFSZSA-N -1 1 371.397 0.320 10 0 FCAEMM O=C(CCn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001574176413 1271081428 /nfs/dbraw/zinc/08/14/28/1271081428.db2.gz ZZFITUHEUIEMCK-AGIUHOORSA-N -1 1 356.386 0.331 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001576003189 1272685670 /nfs/dbraw/zinc/68/56/70/1272685670.db2.gz LOXUPCILMZKCTH-GHMZBOCLSA-N -1 1 366.418 0.815 10 0 FCAEMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@H]1OCCO[C@H]1C ZINC001577522377 1274468011 /nfs/dbraw/zinc/46/80/11/1274468011.db2.gz NEHIPGRDIGEQIY-WFASDCNBSA-N -1 1 351.403 0.560 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCCc1nn[n-]n1)CCS2 ZINC001603501133 1287393747 /nfs/dbraw/zinc/39/37/47/1287393747.db2.gz MKQHTXADOJGIII-VTWZXRTESA-N -1 1 353.448 0.856 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)n[n-]1 ZINC001584176610 1282141155 /nfs/dbraw/zinc/14/11/55/1282141155.db2.gz RJABYHFZVOHMFH-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)[n-]1 ZINC001584176610 1282141159 /nfs/dbraw/zinc/14/11/59/1282141159.db2.gz RJABYHFZVOHMFH-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 ZINC001584176610 1282141163 /nfs/dbraw/zinc/14/11/63/1282141163.db2.gz RJABYHFZVOHMFH-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM O=C(c1cccc([O-])c1F)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001632554116 1282186001 /nfs/dbraw/zinc/18/60/01/1282186001.db2.gz WPYNRMCFXRZFEP-LBPRGKRZSA-N -1 1 372.418 0.798 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)n[n-]1 ZINC001632562351 1282186433 /nfs/dbraw/zinc/18/64/33/1282186433.db2.gz MAEGPMFYFCLQSF-WDEREUQCSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)[n-]1 ZINC001632562351 1282186435 /nfs/dbraw/zinc/18/64/35/1282186435.db2.gz MAEGPMFYFCLQSF-WDEREUQCSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)n1 ZINC001632562351 1282186436 /nfs/dbraw/zinc/18/64/36/1282186436.db2.gz MAEGPMFYFCLQSF-WDEREUQCSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)n[n-]1 ZINC001632568083 1282187613 /nfs/dbraw/zinc/18/76/13/1282187613.db2.gz ZZRQTHAOUCPZSS-OUAUKWLOSA-N -1 1 368.390 0.517 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)[n-]1 ZINC001632568083 1282187616 /nfs/dbraw/zinc/18/76/16/1282187616.db2.gz ZZRQTHAOUCPZSS-OUAUKWLOSA-N -1 1 368.390 0.517 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)n1 ZINC001632568083 1282187621 /nfs/dbraw/zinc/18/76/21/1282187621.db2.gz ZZRQTHAOUCPZSS-OUAUKWLOSA-N -1 1 368.390 0.517 10 0 FCAEMM Cn1ncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1N ZINC001632595778 1282189335 /nfs/dbraw/zinc/18/93/35/1282189335.db2.gz MSSQDWJRFNKCEI-UHFFFAOYSA-N -1 1 351.388 0.401 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCC(c2nn[n-]n2)CC1 ZINC001632652499 1282195411 /nfs/dbraw/zinc/19/54/11/1282195411.db2.gz XUFMAHRZLUBMQV-DUXPYHPUSA-N -1 1 354.370 0.950 10 0 FCAEMM O=C(c1ccc(NCCn2ccnc2)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183064 1282209653 /nfs/dbraw/zinc/20/96/53/1282209653.db2.gz FNDSFNDBSZMNAI-OAHLLOKOSA-N -1 1 368.401 0.722 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCC(CO)(CO)C3)c(=O)c2c(OC)c1 ZINC001585845395 1282247492 /nfs/dbraw/zinc/24/74/92/1282247492.db2.gz GBTQTQBAVDQVHX-UHFFFAOYSA-N -1 1 362.382 0.362 10 0 FCAEMM O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1(c2nn[n-]n2)CCC1 ZINC001633586484 1282255973 /nfs/dbraw/zinc/25/59/73/1282255973.db2.gz JGEXGTYCEGVOJO-UHFFFAOYSA-N -1 1 362.777 0.774 10 0 FCAEMM COc1ccc(C(=O)N(C)c2nn[n-]n2)nc1I ZINC001586262143 1282287736 /nfs/dbraw/zinc/28/77/36/1282287736.db2.gz HPORUWOCGUQQJV-UHFFFAOYSA-N -1 1 360.115 0.485 10 0 FCAEMM CN(Cc1cnn(-c2ccccc2)n1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001634241239 1282312918 /nfs/dbraw/zinc/31/29/18/1282312918.db2.gz FHPQLCBLRTXQHB-UHFFFAOYSA-N -1 1 366.381 0.756 10 0 FCAEMM COc1cc2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)[nH]c2cc1OC ZINC001586805846 1282314476 /nfs/dbraw/zinc/31/44/76/1282314476.db2.gz OMCWFWDLFMZQNH-GFCCVEGCSA-N -1 1 358.358 0.912 10 0 FCAEMM CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001587262693 1282344047 /nfs/dbraw/zinc/34/40/47/1282344047.db2.gz JHTHFNIQMKMLMT-UHFFFAOYSA-N -1 1 371.445 0.478 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001635086587 1282379405 /nfs/dbraw/zinc/37/94/05/1282379405.db2.gz RGJHCOCMTRNFIH-ANRSDYALSA-N -1 1 365.415 0.230 10 0 FCAEMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588028045 1282397988 /nfs/dbraw/zinc/39/79/88/1282397988.db2.gz PQQKDJFBTIAALO-NEPJUHHUSA-N -1 1 351.403 0.845 10 0 FCAEMM CCOC(=O)[C@@H](CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(C)=O ZINC001588033095 1282400168 /nfs/dbraw/zinc/40/01/68/1282400168.db2.gz QCTQIMKLFIFLLA-JTQLQIEISA-N -1 1 351.359 0.030 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3=CCS(=O)(=O)C3)CC2)n1 ZINC001635468019 1282408220 /nfs/dbraw/zinc/40/82/20/1282408220.db2.gz HQVCYYQALSQFOE-UHFFFAOYSA-N -1 1 368.415 0.042 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CNC(=O)COc2ccccc2)[n-]c1=O ZINC001635626294 1282417744 /nfs/dbraw/zinc/41/77/44/1282417744.db2.gz FQYGXWRSJXSYOX-UHFFFAOYSA-N -1 1 374.397 0.737 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[n-]c1=O ZINC001635630842 1282418947 /nfs/dbraw/zinc/41/89/47/1282418947.db2.gz ZHVTVLUCFNRNJM-JTQLQIEISA-N -1 1 372.447 0.214 10 0 FCAEMM O=C(Nc1cncnc1N1CCCC1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001635676297 1282424194 /nfs/dbraw/zinc/42/41/94/1282424194.db2.gz AUZWBWXVVUZHQW-UHFFFAOYSA-N -1 1 367.369 0.909 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ncccc1S(C)(=O)=O ZINC001635877307 1282439694 /nfs/dbraw/zinc/43/96/94/1282439694.db2.gz NSPKJWKPZBYBGZ-UHFFFAOYSA-N -1 1 354.413 0.508 10 0 FCAEMM O=C(CCNC(=O)c1ccc(F)cc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636321772 1282485740 /nfs/dbraw/zinc/48/57/40/1282485740.db2.gz IQMXMFYWOGODJE-UHFFFAOYSA-N -1 1 374.372 0.830 10 0 FCAEMM COC(=O)C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(C)c1 ZINC001636346662 1282489550 /nfs/dbraw/zinc/48/95/50/1282489550.db2.gz MZPHMNGNAUULTM-AWEZNQCLSA-N -1 1 359.382 0.656 10 0 FCAEMM O=C(CN1CCOC1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001637134932 1282567407 /nfs/dbraw/zinc/56/74/07/1282567407.db2.gz NHYZIVKVVUHIQB-UHFFFAOYSA-N -1 1 355.372 0.224 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001637541566 1282603466 /nfs/dbraw/zinc/60/34/66/1282603466.db2.gz MGTABHVLLVLUCA-WFASDCNBSA-N -1 1 364.446 0.489 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909374 1282640152 /nfs/dbraw/zinc/64/01/52/1282640152.db2.gz FJVZJXPAWUNSGP-LLVKDONJSA-N -1 1 351.407 0.903 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909374 1282640166 /nfs/dbraw/zinc/64/01/66/1282640166.db2.gz FJVZJXPAWUNSGP-LLVKDONJSA-N -1 1 351.407 0.903 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CCCC(=O)N(C)C ZINC001637909374 1282640177 /nfs/dbraw/zinc/64/01/77/1282640177.db2.gz FJVZJXPAWUNSGP-LLVKDONJSA-N -1 1 351.407 0.903 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)n1 ZINC001638577553 1282706812 /nfs/dbraw/zinc/70/68/12/1282706812.db2.gz DELZWFVVVDEHBP-NEPJUHHUSA-N -1 1 358.354 0.902 10 0 FCAEMM CN1Cc2ccccc2[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC001640729671 1282894814 /nfs/dbraw/zinc/89/48/14/1282894814.db2.gz RKCPWDAQQBYTTB-HNNXBMFYSA-N -1 1 354.366 0.347 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC001642423779 1283008609 /nfs/dbraw/zinc/00/86/09/1283008609.db2.gz DZLFSXQVKVOORV-KCJUWKMLSA-N -1 1 367.383 0.961 10 0 FCAEMM COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001682871160 1283793929 /nfs/dbraw/zinc/79/39/29/1283793929.db2.gz ABQSQUWOLJOJMF-JTNHKYCSSA-N -1 1 362.430 0.919 10 0 FCAEMM O=C(COCC(F)F)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001702972891 1286029577 /nfs/dbraw/zinc/02/95/77/1286029577.db2.gz OQGILGXYNPQZBI-MXWKQRLJSA-N -1 1 355.341 0.931 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001703621460 1286124294 /nfs/dbraw/zinc/12/42/94/1286124294.db2.gz QBMRDZBORRKYIY-WDEREUQCSA-N -1 1 364.402 0.521 10 0 FCAEMM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCN(C2CCCC2)CC1 ZINC001594982265 1286237231 /nfs/dbraw/zinc/23/72/31/1286237231.db2.gz SLKDSSIQFJQIAA-UHFFFAOYSA-N -1 1 357.414 0.967 10 0 FCAEMM NC(=O)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001595834618 1286266524 /nfs/dbraw/zinc/26/65/24/1286266524.db2.gz LPAFDLIDESRGKS-UHFFFAOYSA-N -1 1 351.359 0.728 10 0 FCAEMM COC[C@H](NC(=O)Cc1ccc(Br)cc1O)c1nn[n-]n1 ZINC001595889217 1286267431 /nfs/dbraw/zinc/26/74/31/1286267431.db2.gz LDJYMSPJHKOXPS-VIFPVBQESA-N -1 1 356.180 0.714 10 0 FCAEMM O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595941484 1286273260 /nfs/dbraw/zinc/27/32/60/1286273260.db2.gz NSLUHNUZSSEMCM-GFCCVEGCSA-N -1 1 355.402 0.824 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2NC(=O)c3ccccc32)c1 ZINC001597335728 1286339273 /nfs/dbraw/zinc/33/92/73/1286339273.db2.gz SXDHYIUCTMFNIK-LBPRGKRZSA-N -1 1 361.379 0.853 10 0 FCAEMM CO[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCOC1 ZINC001597370987 1286340675 /nfs/dbraw/zinc/34/06/75/1286340675.db2.gz JZYKKFXSKFXELY-BMIGLBTASA-N -1 1 370.427 0.823 10 0 FCAEMM CO[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCOC1 ZINC001597370990 1286340951 /nfs/dbraw/zinc/34/09/51/1286340951.db2.gz JZYKKFXSKFXELY-ZUZCIYMTSA-N -1 1 370.427 0.823 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(CCF)CC1 ZINC001719237925 1287923952 /nfs/dbraw/zinc/92/39/52/1287923952.db2.gz XZBPHWYUDFGISR-DGCLKSJQSA-N -1 1 351.378 0.883 10 0 FCAEMM CN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001721103374 1288293094 /nfs/dbraw/zinc/29/30/94/1288293094.db2.gz IJPMZORQWZNTGT-CHWSQXEVSA-N -1 1 364.446 0.184 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CC1 ZINC001721247376 1288321914 /nfs/dbraw/zinc/32/19/14/1288321914.db2.gz MSHGTHLYRQSXQG-ZYHUDNBSSA-N -1 1 358.402 0.185 10 0 FCAEMM O=C(NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001721755323 1288374461 /nfs/dbraw/zinc/37/44/61/1288374461.db2.gz HQBSSFBISGTLCK-FRRDWIJNSA-N -1 1 361.423 0.859 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)C(=O)c1ncccc1[O-] ZINC001734816335 1288679871 /nfs/dbraw/zinc/67/98/71/1288679871.db2.gz QAOQUUXTOPMIQJ-FPMFFAJLSA-N -1 1 357.414 0.901 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001736255431 1289221179 /nfs/dbraw/zinc/22/11/79/1289221179.db2.gz IOLMPBRBLYZIBD-MCIONIFRSA-N -1 1 364.446 0.469 10 0 FCAEMM CN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001737149120 1289513923 /nfs/dbraw/zinc/51/39/23/1289513923.db2.gz CBXBTLVDWRNULB-SGTLLEGYSA-N -1 1 360.414 0.674 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC001611099283 1289629417 /nfs/dbraw/zinc/62/94/17/1289629417.db2.gz XFLKJBKMUGDDSA-UHFFFAOYSA-N -1 1 368.440 0.498 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cn1 ZINC001611212258 1289636847 /nfs/dbraw/zinc/63/68/47/1289636847.db2.gz OAQPAWZYNQGOAT-AWEZNQCLSA-N -1 1 368.459 0.436 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ncccc1[O-] ZINC001738857564 1289741378 /nfs/dbraw/zinc/74/13/78/1289741378.db2.gz HZHSZXCWVBYKQX-JHJVBQTASA-N -1 1 357.414 0.901 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)C=Cc1ccccc1 ZINC001617396297 1289837963 /nfs/dbraw/zinc/83/79/63/1289837963.db2.gz AVLOQTOJGJYRRK-CMDGGOBGSA-N -1 1 372.381 0.846 10 0 FCAEMM CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nn[nH]n1 ZINC001617642487 1289851349 /nfs/dbraw/zinc/85/13/49/1289851349.db2.gz QWZZULLIDKCGPO-UHFFFAOYSA-N -1 1 365.147 0.221 10 0 FCAEMM CN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nn[n-]n1 ZINC001617642487 1289851359 /nfs/dbraw/zinc/85/13/59/1289851359.db2.gz QWZZULLIDKCGPO-UHFFFAOYSA-N -1 1 365.147 0.221 10 0 FCAEMM Cn1ccc(Nc2ccc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2)n1 ZINC001617702697 1289855748 /nfs/dbraw/zinc/85/57/48/1289855748.db2.gz DQLMNUOWCABSTI-UHFFFAOYSA-N -1 1 368.401 0.801 10 0 FCAEMM O=C(CCOCC(F)(F)C(F)F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703183 1289858144 /nfs/dbraw/zinc/85/81/44/1289858144.db2.gz MUQOUHRYGBYRKZ-UHFFFAOYSA-N -1 1 355.292 0.317 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001617899611 1289869705 /nfs/dbraw/zinc/86/97/05/1289869705.db2.gz BYPHQENPXNXJDF-LRDDRELGSA-N -1 1 363.414 0.201 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001618510106 1289915916 /nfs/dbraw/zinc/91/59/16/1289915916.db2.gz BNBUAXJHNJTNNR-HNNXBMFYSA-N -1 1 370.409 0.348 10 0 FCAEMM COc1cnc([C@@H]2CCCN2CC2(O)CCS(=O)(=O)CC2)[n-]c1=O ZINC001620648479 1290012517 /nfs/dbraw/zinc/01/25/17/1290012517.db2.gz VNDPHUNFPQGEIF-NSHDSACASA-N -1 1 357.432 0.267 10 0 FCAEMM CCCCNC(=O)[C@@H]1CSCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001623642605 1290227641 /nfs/dbraw/zinc/22/76/41/1290227641.db2.gz HBVQIYLCQXJGOB-QMMMGPOBSA-N -1 1 356.404 0.328 10 0 FCAEMM NC(=O)Cn1cc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)nn1 ZINC001624009672 1290245345 /nfs/dbraw/zinc/24/53/45/1290245345.db2.gz SSJMJKKWVMNRCM-UHFFFAOYSA-N -1 1 371.251 0.521 10 0 FCAEMM COc1ccc(NC(=O)Cn2nc(C)oc2=O)cc1[N-]S(C)(=O)=O ZINC001624067404 1290249447 /nfs/dbraw/zinc/24/94/47/1290249447.db2.gz QFJCUFJVJZBTLX-UHFFFAOYSA-N -1 1 356.360 0.164 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C ZINC001624423918 1290271422 /nfs/dbraw/zinc/27/14/22/1290271422.db2.gz KRJGATJDYVGEBM-QMMMGPOBSA-N -1 1 358.420 0.395 10 0 FCAEMM COC(=O)C[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC001624562523 1290279802 /nfs/dbraw/zinc/27/98/02/1290279802.db2.gz YJHGLDCBAHEXQQ-NSHDSACASA-N -1 1 363.374 0.570 10 0 FCAEMM O=C(CCn1cc[nH]c(=O)c1=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001624836540 1290299583 /nfs/dbraw/zinc/29/95/83/1290299583.db2.gz OVHOBIWKJKACJL-UHFFFAOYSA-N -1 1 354.370 0.071 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC001624836540 1290299589 /nfs/dbraw/zinc/29/95/89/1290299589.db2.gz OVHOBIWKJKACJL-UHFFFAOYSA-N -1 1 354.370 0.071 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC001625213720 1290326489 /nfs/dbraw/zinc/32/64/89/1290326489.db2.gz PVPJUWYRZLJYKZ-UHFFFAOYSA-N -1 1 364.383 0.556 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(N2CCOCC2)c1 ZINC001625273939 1290331906 /nfs/dbraw/zinc/33/19/06/1290331906.db2.gz SNMBEUWGJGZSGH-UHFFFAOYSA-N -1 1 356.382 0.992 10 0 FCAEMM CSc1nnc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)s1 ZINC001625544700 1290348283 /nfs/dbraw/zinc/34/82/83/1290348283.db2.gz WKRPJFOBOFHKDF-UHFFFAOYSA-N -1 1 364.412 0.770 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC001627067462 1290435420 /nfs/dbraw/zinc/43/54/20/1290435420.db2.gz SSJLRWWJDYAWAV-VXGBXAGGSA-N -1 1 352.395 0.029 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC001627086861 1290436565 /nfs/dbraw/zinc/43/65/65/1290436565.db2.gz SZMPMJQCGKXMMR-UHFFFAOYSA-N -1 1 362.459 0.013 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC1N=NC(=O)N1C ZINC001627720158 1290480586 /nfs/dbraw/zinc/48/05/86/1290480586.db2.gz BAHNMEKACKRISB-UHFFFAOYSA-N -1 1 355.358 0.246 10 0 FCAEMM CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nn[n-]n1 ZINC001628840722 1290557726 /nfs/dbraw/zinc/55/77/26/1290557726.db2.gz LAVMKMICTBIBJX-UHFFFAOYSA-N -1 1 367.435 0.087 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc3c2oc(=O)n3C)n[n-]1 ZINC001629028990 1290570262 /nfs/dbraw/zinc/57/02/62/1290570262.db2.gz GVUQUXLFTMXAPX-MRVPVSSYSA-N -1 1 359.342 0.917 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccc3c2oc(=O)n3C)[n-]1 ZINC001629028990 1290570270 /nfs/dbraw/zinc/57/02/70/1290570270.db2.gz GVUQUXLFTMXAPX-MRVPVSSYSA-N -1 1 359.342 0.917 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccc3c2oc(=O)n3C)n1 ZINC001629028990 1290570277 /nfs/dbraw/zinc/57/02/77/1290570277.db2.gz GVUQUXLFTMXAPX-MRVPVSSYSA-N -1 1 359.342 0.917 10 0 FCAEMM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001629098415 1290576754 /nfs/dbraw/zinc/57/67/54/1290576754.db2.gz ZCKYGLMOWRDCOJ-NSHDSACASA-N -1 1 374.470 0.443 10 0 FCAEMM Cc1cc(N2CC[C@@H](NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)C2=O)n(C)n1 ZINC001629155626 1290580953 /nfs/dbraw/zinc/58/09/53/1290580953.db2.gz BHFXFZDSVZSOQN-SECBINFHSA-N -1 1 362.415 0.357 10 0 FCAEMM COCCOc1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cn1 ZINC001630233675 1290652827 /nfs/dbraw/zinc/65/28/27/1290652827.db2.gz SMRJNOJMINPKGX-UHFFFAOYSA-N -1 1 350.331 0.247 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001630721037 1290693117 /nfs/dbraw/zinc/69/31/17/1290693117.db2.gz SSGROOZNBCJJSF-UHFFFAOYSA-N -1 1 371.463 0.186 10 0 FCAEMM Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCOC[C@H]3c3nn[n-]n3)C2=O)c1 ZINC001631568726 1290739495 /nfs/dbraw/zinc/73/94/95/1290739495.db2.gz KVSXVLFSQXSZFL-CABCVRRESA-N -1 1 370.413 0.770 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001643132792 1290851642 /nfs/dbraw/zinc/85/16/42/1290851642.db2.gz NHFZYRMGKHPECT-UHFFFAOYSA-N -1 1 363.443 0.942 10 0 FCAEMM CNS(=O)(=O)c1csc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c1 ZINC001643823974 1290918076 /nfs/dbraw/zinc/91/80/76/1290918076.db2.gz KMBRAMIVYKAFCL-UHFFFAOYSA-N -1 1 358.449 0.468 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2c(ncnc2N(C)C)n1C ZINC001643824298 1290918096 /nfs/dbraw/zinc/91/80/96/1290918096.db2.gz XRBZWYRMLKBCJZ-UHFFFAOYSA-N -1 1 357.422 0.846 10 0 FCAEMM COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cnc(SC)[n-]c1=O ZINC001644113096 1290940711 /nfs/dbraw/zinc/94/07/11/1290940711.db2.gz XCHKLUNBAPTHSO-MRVPVSSYSA-N -1 1 355.338 0.916 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCc2ccccc2NC1=O ZINC001644145842 1290942384 /nfs/dbraw/zinc/94/23/84/1290942384.db2.gz MVDUKQLSWSETID-ZDUSSCGKSA-N -1 1 354.366 0.587 10 0 FCAEMM COc1ccc(CN(CCO)C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001644446458 1290962541 /nfs/dbraw/zinc/96/25/41/1290962541.db2.gz DAUZMVFCUBISRE-UHFFFAOYSA-N -1 1 359.382 0.547 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2ccc3c(c2)C(=O)NCCO3)[n-]c1=O ZINC001645227019 1291011273 /nfs/dbraw/zinc/01/12/73/1291011273.db2.gz AFUXAIVSWYHEOP-UHFFFAOYSA-N -1 1 372.381 0.978 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CCCN2C(=O)CN(C)C2=O)[n-]c1=O ZINC001646340249 1291064749 /nfs/dbraw/zinc/06/47/49/1291064749.db2.gz OULQIZINOFPWDS-UHFFFAOYSA-N -1 1 365.390 0.216 10 0 FCAEMM CCOC(=O)[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCC1(F)F ZINC001648086132 1291101299 /nfs/dbraw/zinc/10/12/99/1291101299.db2.gz TZCIUJHHFVGSSA-ZETCQYMHSA-N -1 1 361.301 0.557 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CCc3nnnn3CC2)[n-]c1=O ZINC001648405541 1291120095 /nfs/dbraw/zinc/12/00/95/1291120095.db2.gz GOXLJQFXHGKSAF-MNOVXSKESA-N -1 1 359.390 0.494 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Cn2cccn2)on1 ZINC001650748164 1291178104 /nfs/dbraw/zinc/17/81/04/1291178104.db2.gz DTTLLWLMCRNDFC-UHFFFAOYSA-N -1 1 356.342 0.418 10 0 FCAEMM O=C(Nc1nc(SCCO)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001650865065 1291182433 /nfs/dbraw/zinc/18/24/33/1291182433.db2.gz OUBZYKLKFVYFBJ-GFCCVEGCSA-N -1 1 361.427 0.876 10 0 FCAEMM CCC(=O)N1CCCC[C@@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652613525 1291286876 /nfs/dbraw/zinc/28/68/76/1291286876.db2.gz MTHOGRKANLMETN-GFCCVEGCSA-N -1 1 350.419 0.988 10 0 FCAEMM CCc1noc([C@H]2CC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001653186501 1291326670 /nfs/dbraw/zinc/32/66/70/1291326670.db2.gz QIKLTOIMGJHPBB-QWRGUYRKSA-N -1 1 359.386 0.915 10 0 FCAEMM CCOC(=O)[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCOC1 ZINC001653254438 1291331617 /nfs/dbraw/zinc/33/16/17/1291331617.db2.gz PHDWIDVRDFGWHH-IAQYHMDHSA-N -1 1 351.403 0.703 10 0 FCAEMM Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001653502823 1291348382 /nfs/dbraw/zinc/34/83/82/1291348382.db2.gz GDYHNVFJVQSQIX-SXBQZSJRSA-N -1 1 363.443 0.294 10 0 FCAEMM Cn1cc([C@H]2C[S@](=O)CCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001653502820 1291349264 /nfs/dbraw/zinc/34/92/64/1291349264.db2.gz GDYHNVFJVQSQIX-DLUDVSRJSA-N -1 1 363.443 0.294 10 0 FCAEMM CC(C)(C)OC(=O)N1CCc2c1nccc2C(=O)NN1CC(=O)[N-]C1=O ZINC001654198308 1291397929 /nfs/dbraw/zinc/39/79/29/1291397929.db2.gz ZGBZMFWICJFOOC-UHFFFAOYSA-N -1 1 361.358 0.576 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)n[n-]1 ZINC001654490433 1291414696 /nfs/dbraw/zinc/41/46/96/1291414696.db2.gz RYDQWNJAXLAQFZ-ZDUSSCGKSA-N -1 1 373.369 0.799 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)n1 ZINC001654490433 1291414699 /nfs/dbraw/zinc/41/46/99/1291414699.db2.gz RYDQWNJAXLAQFZ-ZDUSSCGKSA-N -1 1 373.369 0.799 10 0 FCAEMM Cn1nc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1C1CC1 ZINC001675456680 1292177249 /nfs/dbraw/zinc/17/72/49/1292177249.db2.gz NPKIBTQZYBGAHZ-UHFFFAOYSA-N -1 1 358.402 0.865 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](O)c1ccc(F)cc1 ZINC001684869406 1292346795 /nfs/dbraw/zinc/34/67/95/1292346795.db2.gz OVBQSOJAEBONTI-CQSZACIVSA-N -1 1 362.361 0.927 10 0 FCAEMM Cn1cnnc1C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001684870395 1292348038 /nfs/dbraw/zinc/34/80/38/1292348038.db2.gz YIYKQEAFJAWJJG-UHFFFAOYSA-N -1 1 373.417 0.473 10 0 FCAEMM C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001685204800 1292450834 /nfs/dbraw/zinc/45/08/34/1292450834.db2.gz HOFSQKFEHDQKGB-URNYOCNJSA-N -1 1 350.375 0.582 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001685214597 1292453892 /nfs/dbraw/zinc/45/38/92/1292453892.db2.gz IBTXFYWWVJRQGS-YPMHNXCESA-N -1 1 360.414 0.375 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CNC(=O)CC1CC1 ZINC001685588361 1292565760 /nfs/dbraw/zinc/56/57/60/1292565760.db2.gz CUAWUINSYHXWCC-ZYHUDNBSSA-N -1 1 358.402 0.042 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001685840770 1292654131 /nfs/dbraw/zinc/65/41/31/1292654131.db2.gz NNVUKMFROUYHSO-LPWJVIDDSA-N -1 1 360.414 0.123 10 0 FCAEMM CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001686158570 1292793253 /nfs/dbraw/zinc/79/32/53/1292793253.db2.gz AIPWWPFNTCVJFU-UPJWGTAASA-N -1 1 374.441 0.811 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@@]1(O)CCOC1 ZINC001686960163 1292969920 /nfs/dbraw/zinc/96/99/20/1292969920.db2.gz JVGLMWMUWOALJS-COPLHBTASA-N -1 1 367.368 0.769 10 0 FCAEMM C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)cc21 ZINC000327340657 836039382 /nfs/dbraw/zinc/03/93/82/836039382.db2.gz DVYLXVICGCCZLV-NSHDSACASA-N -1 1 367.427 0.523 10 0 FCAEMM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000745991464 836158643 /nfs/dbraw/zinc/15/86/43/836158643.db2.gz UHRFOSDAORABJI-UHFFFAOYSA-N -1 1 363.399 0.833 10 0 FCAEMM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000745991464 836158647 /nfs/dbraw/zinc/15/86/47/836158647.db2.gz UHRFOSDAORABJI-UHFFFAOYSA-N -1 1 363.399 0.833 10 0 FCAEMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000746884567 836201692 /nfs/dbraw/zinc/20/16/92/836201692.db2.gz KKMCGJHQJFZSQS-MRVPVSSYSA-N -1 1 361.424 0.650 10 0 FCAEMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000746884567 836201700 /nfs/dbraw/zinc/20/17/00/836201700.db2.gz KKMCGJHQJFZSQS-MRVPVSSYSA-N -1 1 361.424 0.650 10 0 FCAEMM COc1cc(C)c(NC(=O)C(=O)NCc2nn[n-]n2)cc1C(F)(F)F ZINC001117782708 847171675 /nfs/dbraw/zinc/17/16/75/847171675.db2.gz PVOVWUYIRPLLJY-UHFFFAOYSA-N -1 1 358.280 0.790 10 0 FCAEMM Cc1c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)coc1C(=O)N(C)C ZINC001118238642 847339061 /nfs/dbraw/zinc/33/90/61/847339061.db2.gz LTLXWWWPOLTQPM-UHFFFAOYSA-N -1 1 363.399 0.746 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001118346435 847392337 /nfs/dbraw/zinc/39/23/37/847392337.db2.gz YBCHCUSWHVHAIP-SASUGWTJSA-N -1 1 361.364 0.959 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ncnn1CCF ZINC001118569442 847482428 /nfs/dbraw/zinc/48/24/28/847482428.db2.gz WPAXMCHAONUDSC-PSASIEDQSA-N -1 1 367.303 0.344 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001118893394 847624218 /nfs/dbraw/zinc/62/42/18/847624218.db2.gz QTSLAZUFPVFQHQ-UHFFFAOYSA-N -1 1 371.463 0.186 10 0 FCAEMM C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001119536664 847879067 /nfs/dbraw/zinc/87/90/67/847879067.db2.gz BTEOTEGZSTUMDW-FOGDFJRCSA-N -1 1 365.352 0.451 10 0 FCAEMM C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001119536664 847879070 /nfs/dbraw/zinc/87/90/70/847879070.db2.gz BTEOTEGZSTUMDW-FOGDFJRCSA-N -1 1 365.352 0.451 10 0 FCAEMM C[C@]12CSC[C@H]1CN(c1nnc(-c3nnn[n-]3)n1C[C@H]1CCOC1)C2 ZINC001123237486 848579973 /nfs/dbraw/zinc/57/99/73/848579973.db2.gz UUUUTAYTRSABEX-HFAKWTLXSA-N -1 1 362.463 0.684 10 0 FCAEMM C[C@]12CSC[C@H]1CN(c1nnc(-c3nn[n-]n3)n1C[C@H]1CCOC1)C2 ZINC001123237486 848579983 /nfs/dbraw/zinc/57/99/83/848579983.db2.gz UUUUTAYTRSABEX-HFAKWTLXSA-N -1 1 362.463 0.684 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235353 848580120 /nfs/dbraw/zinc/58/01/20/848580120.db2.gz GJXPZEWVYDBEFG-ZJUUUORDSA-N -1 1 353.814 0.978 10 0 FCAEMM COCCNC(=O)CSc1ccccc1C(=O)N(C)c1nn[n-]n1 ZINC001130969837 849065569 /nfs/dbraw/zinc/06/55/69/849065569.db2.gz WSSPWXAXDLXVKJ-UHFFFAOYSA-N -1 1 350.404 0.331 10 0 FCAEMM COc1ccc(NC(=O)C[C@H]2CC(=O)NC2=O)cc1[N-]S(C)(=O)=O ZINC001136149785 849208854 /nfs/dbraw/zinc/20/88/54/849208854.db2.gz YQNVNQWKJLAEJY-QMMMGPOBSA-N -1 1 355.372 0.058 10 0 FCAEMM CSc1ncc(C(=O)N(C)C[C@H](O)COCCOC(C)C)c(=O)[n-]1 ZINC001137237629 849259684 /nfs/dbraw/zinc/25/96/84/849259684.db2.gz BNJJTLROFHDGHG-NSHDSACASA-N -1 1 359.448 0.779 10 0 FCAEMM CCO[C@H]1COCC[C@@H]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001137774664 849283737 /nfs/dbraw/zinc/28/37/37/849283737.db2.gz DWHFERAOBDXJON-YGRLFVJLSA-N -1 1 358.416 0.810 10 0 FCAEMM COCCNc1nc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cs1 ZINC001138659226 849315326 /nfs/dbraw/zinc/31/53/26/849315326.db2.gz XEEPMKJIYYBXJQ-JTQLQIEISA-N -1 1 351.436 0.663 10 0 FCAEMM O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138990804 849323061 /nfs/dbraw/zinc/32/30/61/849323061.db2.gz AFYOKPKGNHEJNX-SECBINFHSA-N -1 1 359.312 0.400 10 0 FCAEMM CS(=O)(=O)CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)COC1 ZINC001141540578 849400807 /nfs/dbraw/zinc/40/08/07/849400807.db2.gz QXOOLVLJGJDVDY-UHFFFAOYSA-N -1 1 351.384 0.782 10 0 FCAEMM CSCC[C@H](NC(=O)[C@]1(C2CCCC2)CCNC1=O)c1nn[n-]n1 ZINC001148261121 849605803 /nfs/dbraw/zinc/60/58/03/849605803.db2.gz QWAXAEHRUNAWMN-NHYWBVRUSA-N -1 1 352.464 0.807 10 0 FCAEMM NC(=O)C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1Cl ZINC001148862493 849619480 /nfs/dbraw/zinc/61/94/80/849619480.db2.gz AUBOYRPSRNNXFB-LBPRGKRZSA-N -1 1 364.789 0.313 10 0 FCAEMM CCN1C(=O)[C@H]2CN(C(=O)c3cnc(SC)[n-]c3=O)CCN2C1=O ZINC001149234506 849633179 /nfs/dbraw/zinc/63/31/79/849633179.db2.gz VGHKTGJPJTUSOV-SECBINFHSA-N -1 1 351.388 0.013 10 0 FCAEMM COC(=O)N1CCC(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001175213895 850756937 /nfs/dbraw/zinc/75/69/37/850756937.db2.gz JQJYSDXWVJLGOR-UHFFFAOYSA-N -1 1 350.375 0.350 10 0 FCAEMM Cn1[n-]c(CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1=O ZINC001176952503 850816915 /nfs/dbraw/zinc/81/69/15/850816915.db2.gz PXAIISCXIUZIIE-LDYMZIIASA-N -1 1 354.354 0.050 10 0 FCAEMM C[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@](=O)C1 ZINC001254497056 857974406 /nfs/dbraw/zinc/97/44/06/857974406.db2.gz PQLBCKNFGROKQV-JUZXBQNTSA-N -1 1 354.432 0.165 10 0 FCAEMM NC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC001261797622 858667604 /nfs/dbraw/zinc/66/76/04/858667604.db2.gz NEYLQCXIORLCLC-IZLXSQMJSA-N -1 1 352.185 0.525 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001263911359 859237183 /nfs/dbraw/zinc/23/71/83/859237183.db2.gz GWIPEMCQZKCEGL-RYUDHWBXSA-N -1 1 352.464 0.682 10 0 FCAEMM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001290945741 865567228 /nfs/dbraw/zinc/56/72/28/865567228.db2.gz PFCFMRGQHFBEJM-IJLUTSLNSA-N -1 1 369.443 0.045 10 0 FCAEMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1([C@H]2CCCCO2)CCOCC1 ZINC001292975841 865766869 /nfs/dbraw/zinc/76/68/69/865766869.db2.gz IZFJCJNRJHKDAS-CHWSQXEVSA-N -1 1 351.407 0.466 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001293024552 865770550 /nfs/dbraw/zinc/77/05/50/865770550.db2.gz ZRCRZGYENARERV-UHFFFAOYSA-N -1 1 374.488 0.018 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 ZINC001293024172 865771072 /nfs/dbraw/zinc/77/10/72/865771072.db2.gz VCMFZTSUKFTPNA-UHFFFAOYSA-N -1 1 368.455 0.752 10 0 FCAEMM CSc1ncc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(=O)[n-]1 ZINC001294000867 865815620 /nfs/dbraw/zinc/81/56/20/865815620.db2.gz YDWARESKAOUCPA-HNNXBMFYSA-N -1 1 365.415 0.354 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC001294790714 865856224 /nfs/dbraw/zinc/85/62/24/865856224.db2.gz MUVZMDVGOGWPTQ-MRVPVSSYSA-N -1 1 360.201 0.995 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001298677530 866126643 /nfs/dbraw/zinc/12/66/43/866126643.db2.gz UQFNRMLDXNSKNX-SNVBAGLBSA-N -1 1 352.391 0.943 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cnncc2[O-])CCCO1 ZINC001299060122 866144908 /nfs/dbraw/zinc/14/49/08/866144908.db2.gz HOSJNHXEYZLNIV-NSHDSACASA-N -1 1 352.391 0.938 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)/C=C(/C)CN2CCOCC2)[n-]c1=O ZINC001349447894 866343100 /nfs/dbraw/zinc/34/31/00/866343100.db2.gz WIFDPNSTALUAHV-XFXZXTDPSA-N -1 1 350.419 0.821 10 0 FCAEMM COC1(CS(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)CCOCC1 ZINC001349555292 866377294 /nfs/dbraw/zinc/37/72/94/866377294.db2.gz YDLVECMEWISTIZ-UHFFFAOYSA-N -1 1 368.415 0.747 10 0 FCAEMM CCOc1cc(C(=O)N2CC3(C2)C[C@@H](O)CNC3=O)cc(Cl)c1[O-] ZINC001352951117 867302279 /nfs/dbraw/zinc/30/22/79/867302279.db2.gz RLHWETLYPFNCBT-SNVBAGLBSA-N -1 1 354.790 0.767 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001354160520 867557881 /nfs/dbraw/zinc/55/78/81/867557881.db2.gz NTFLAJVJXPQGEB-GFCCVEGCSA-N -1 1 370.258 0.360 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC001319128004 867836743 /nfs/dbraw/zinc/83/67/43/867836743.db2.gz QMKRKKBCVGHNPJ-UHFFFAOYSA-N -1 1 363.447 0.597 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 ZINC001321369935 868447742 /nfs/dbraw/zinc/44/77/42/868447742.db2.gz PXXYJMADIATBPL-UHFFFAOYSA-N -1 1 365.293 0.027 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)[n-]1 ZINC001321369935 868447747 /nfs/dbraw/zinc/44/77/47/868447747.db2.gz PXXYJMADIATBPL-UHFFFAOYSA-N -1 1 365.293 0.027 10 0 FCAEMM NS(=O)(=O)c1ccc(C(=O)[N-]c2ncn(Cc3cccnc3)n2)s1 ZINC001321575478 868523438 /nfs/dbraw/zinc/52/34/38/868523438.db2.gz FMXVNCFDBWFCNI-UHFFFAOYSA-N -1 1 364.412 0.683 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC001325859049 870064834 /nfs/dbraw/zinc/06/48/34/870064834.db2.gz PIDCNZXAPSYUOV-NSHDSACASA-N -1 1 366.390 0.366 10 0 FCAEMM C[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001326983441 870603799 /nfs/dbraw/zinc/60/37/99/870603799.db2.gz CGRBUMKWMWFWEI-ZWNOBZJWSA-N -1 1 355.416 0.315 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)NC2(c3nn[n-]n3)CCCC2)o1 ZINC001329305252 871944479 /nfs/dbraw/zinc/94/44/79/871944479.db2.gz FODRIAWZCPNUGR-XQRVVYSFSA-N -1 1 351.388 0.795 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)NCC(C)(C)F ZINC001329436077 872028483 /nfs/dbraw/zinc/02/84/83/872028483.db2.gz KOFGQPLVKQCZPV-RKDXNWHRSA-N -1 1 355.332 0.909 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2CCO[C@]3(CCSC3)C2)n1CC1CC1 ZINC001346851567 872032078 /nfs/dbraw/zinc/03/20/78/872032078.db2.gz UONIJIDJLJSFLW-OAHLLOKOSA-N -1 1 362.463 0.504 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2CCO[C@]3(CCSC3)C2)n1CC1CC1 ZINC001346851567 872032089 /nfs/dbraw/zinc/03/20/89/872032089.db2.gz UONIJIDJLJSFLW-OAHLLOKOSA-N -1 1 362.463 0.504 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)c(=O)c2c(OC)c1 ZINC001331664513 873185257 /nfs/dbraw/zinc/18/52/57/873185257.db2.gz QVPBJBIGOHXQQG-ULCYMTDVSA-N -1 1 362.407 0.891 10 0 FCAEMM Cn1ncc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1C(F)(F)F ZINC001331902665 873297995 /nfs/dbraw/zinc/29/79/95/873297995.db2.gz XLOPYDFWSXUCQM-UHFFFAOYSA-N -1 1 370.353 0.220 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001332005371 873331335 /nfs/dbraw/zinc/33/13/35/873331335.db2.gz AKUXQWBHAJRGDR-ISTVAULSSA-N -1 1 363.336 0.046 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N[C@H](CF)C(=O)[O-])cn2)CC1 ZINC001332121417 873383581 /nfs/dbraw/zinc/38/35/81/873383581.db2.gz HLAHOYNBXNJEQM-CYBMUJFWSA-N -1 1 353.398 0.445 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)o1 ZINC000408126866 530027596 /nfs/dbraw/zinc/02/75/96/530027596.db2.gz BNIREMJKAIZMFL-GFCCVEGCSA-N -1 1 369.443 0.662 10 0 FCAEMM Cc1nonc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000265420912 210130593 /nfs/dbraw/zinc/13/05/93/210130593.db2.gz QPVCYERFLHLODN-UHFFFAOYSA-N -1 1 368.371 0.357 10 0 FCAEMM Cc1nonc1C(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000265420912 210130598 /nfs/dbraw/zinc/13/05/98/210130598.db2.gz QPVCYERFLHLODN-UHFFFAOYSA-N -1 1 368.371 0.357 10 0 FCAEMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000287898172 213673774 /nfs/dbraw/zinc/67/37/74/213673774.db2.gz RYWNOQNFDRCMIV-SECBINFHSA-N -1 1 350.322 0.846 10 0 FCAEMM CCn1ccc(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)n1 ZINC000930840366 674066573 /nfs/dbraw/zinc/06/65/73/674066573.db2.gz ROUQVVRMXNLPHG-UHFFFAOYSA-N -1 1 352.341 0.862 10 0 FCAEMM CN1CC[C@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@@H]2C1 ZINC000285091593 213281447 /nfs/dbraw/zinc/28/14/47/213281447.db2.gz SQIVCTGEGZGDRE-HUUCEWRRSA-N -1 1 353.444 0.603 10 0 FCAEMM O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282836725 212878676 /nfs/dbraw/zinc/87/86/76/212878676.db2.gz DYHYPRHJXLSNBU-GJZGRUSLSA-N -1 1 369.425 0.853 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)N3CCC[C@H]3C)CC2)n1 ZINC000368941307 216321501 /nfs/dbraw/zinc/32/15/01/216321501.db2.gz ZSMSIVOIUKBIOA-LLVKDONJSA-N -1 1 371.463 0.890 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000275979347 212132844 /nfs/dbraw/zinc/13/28/44/212132844.db2.gz DPRLEDASHHSKQJ-AEJSXWLSSA-N -1 1 356.408 0.649 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000275979349 212132859 /nfs/dbraw/zinc/13/28/59/212132859.db2.gz DPRLEDASHHSKQJ-GUBZILKMSA-N -1 1 356.408 0.649 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275285987 212000758 /nfs/dbraw/zinc/00/07/58/212000758.db2.gz LNOIRERONCJADN-UHFFFAOYSA-N -1 1 356.400 0.254 10 0 FCAEMM COC(=O)[C@@](C)(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(F)cc1 ZINC000416236192 245554061 /nfs/dbraw/zinc/55/40/61/245554061.db2.gz YIILHGDKHTXOGL-INIZCTEOSA-N -1 1 365.317 0.854 10 0 FCAEMM CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1cc[nH]c1 ZINC000096132037 209117421 /nfs/dbraw/zinc/11/74/21/209117421.db2.gz BAFFYJONLVTPPI-STQMWFEESA-N -1 1 371.397 0.265 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)c1nn[n-]n1 ZINC000376022678 217345330 /nfs/dbraw/zinc/34/53/30/217345330.db2.gz ULNBKWRFWMNJIF-WCQYABFASA-N -1 1 358.402 0.772 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000427356626 247516423 /nfs/dbraw/zinc/51/64/23/247516423.db2.gz GZQQRNSFLVMUOZ-QWRGUYRKSA-N -1 1 355.416 0.305 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2(CC(N)=O)CCC2)o1 ZINC000443797971 248340373 /nfs/dbraw/zinc/34/03/73/248340373.db2.gz MOKADZZPDTTYJU-UHFFFAOYSA-N -1 1 357.432 0.884 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)sc1C ZINC000470759660 250061392 /nfs/dbraw/zinc/06/13/92/250061392.db2.gz INHMKCUTZRSOGO-UHFFFAOYSA-N -1 1 361.470 0.886 10 0 FCAEMM Cc1cc(=O)c(C(=O)NC2(c3nn[n-]n3)CC2)nn1-c1ccccc1F ZINC000470986068 250084371 /nfs/dbraw/zinc/08/43/71/250084371.db2.gz SKXXPKGAOLGJCE-UHFFFAOYSA-N -1 1 355.333 0.612 10 0 FCAEMM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470984634 250084695 /nfs/dbraw/zinc/08/46/95/250084695.db2.gz RWPLSIBVOOSFPG-LBPRGKRZSA-N -1 1 357.353 0.223 10 0 FCAEMM COc1nn(C)cc1NS(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000473490375 250233563 /nfs/dbraw/zinc/23/35/63/250233563.db2.gz RVPCPZUUEMDONV-UHFFFAOYSA-N -1 1 371.371 0.945 10 0 FCAEMM CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)[C@H]2C1 ZINC000120223375 208376292 /nfs/dbraw/zinc/37/62/92/208376292.db2.gz RILZCMRXIHESRD-KBMXLJTQSA-N -1 1 374.441 0.977 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H]2C)c1C ZINC000349476028 489294636 /nfs/dbraw/zinc/29/46/36/489294636.db2.gz GJDDRHGKPNDCGL-BXKDBHETSA-N -1 1 364.493 0.828 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000364185014 488932192 /nfs/dbraw/zinc/93/21/92/488932192.db2.gz SWPINERRCSRCMK-RYUDHWBXSA-N -1 1 374.415 0.370 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000364185013 488932351 /nfs/dbraw/zinc/93/23/51/488932351.db2.gz SWPINERRCSRCMK-NWDGAFQWSA-N -1 1 374.415 0.370 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)o1 ZINC000068533503 488366957 /nfs/dbraw/zinc/36/69/57/488366957.db2.gz IYHVBQGHXCKLQK-LBPRGKRZSA-N -1 1 363.395 0.723 10 0 FCAEMM CCOc1cccc(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000269317664 488491026 /nfs/dbraw/zinc/49/10/26/488491026.db2.gz HWHKVFCYWBXZCE-UHFFFAOYSA-N -1 1 367.427 0.004 10 0 FCAEMM CCC(=O)N[C@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000104876354 488506500 /nfs/dbraw/zinc/50/65/00/488506500.db2.gz LITKUYIWSIYWLW-ZDUSSCGKSA-N -1 1 359.430 0.699 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000274725551 488730435 /nfs/dbraw/zinc/73/04/35/488730435.db2.gz BOJJZGAIYLQPFH-LLVKDONJSA-N -1 1 351.432 0.798 10 0 FCAEMM C[C@H](CN(C)C(=O)c1cnn2cc(Br)cnc12)c1nn[n-]n1 ZINC000274751694 488731854 /nfs/dbraw/zinc/73/18/54/488731854.db2.gz HPIONPPVEXTKMA-SSDOTTSWSA-N -1 1 365.195 0.881 10 0 FCAEMM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274986353 488750980 /nfs/dbraw/zinc/75/09/80/488750980.db2.gz YLGPBHCVPNEGKV-LBPRGKRZSA-N -1 1 367.383 0.479 10 0 FCAEMM COC[C@@H](C)S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-] ZINC000275207907 488772860 /nfs/dbraw/zinc/77/28/60/488772860.db2.gz HKJDJZMPWOJNGJ-GFCCVEGCSA-N -1 1 371.459 0.913 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000275234577 488775581 /nfs/dbraw/zinc/77/55/81/488775581.db2.gz FYUGDTJSPREWRK-UHFFFAOYSA-N -1 1 352.334 0.885 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccnc1N(C)C ZINC000171674701 488825442 /nfs/dbraw/zinc/82/54/42/488825442.db2.gz GTMLOOVTBFIONK-UHFFFAOYSA-N -1 1 354.414 0.959 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCS(=O)(=O)[C@H](C)C2)c(=O)[n-]1 ZINC000329415052 489002891 /nfs/dbraw/zinc/00/28/91/489002891.db2.gz FWQXLTYUHAWUAY-SECBINFHSA-N -1 1 359.473 0.791 10 0 FCAEMM CC(C)c1nnc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)s1 ZINC000289444809 489067989 /nfs/dbraw/zinc/06/79/89/489067989.db2.gz OSAUVNABTFNWQX-VIFPVBQESA-N -1 1 351.436 0.891 10 0 FCAEMM CCNC(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289496103 489071212 /nfs/dbraw/zinc/07/12/12/489071212.db2.gz SZEJGYGYRSNWMA-CYBMUJFWSA-N -1 1 372.429 0.666 10 0 FCAEMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(C)onc2N)(C(=O)OC)C1(C)C ZINC000289770735 489092459 /nfs/dbraw/zinc/09/24/59/489092459.db2.gz HMURESQDXGFVJH-XPTSAGLGSA-N -1 1 361.420 0.590 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC2CCC1CC2 ZINC000563262588 491233901 /nfs/dbraw/zinc/23/39/01/491233901.db2.gz YRLAUEAOUKLCJY-YWPUVAFDSA-N -1 1 355.460 0.577 10 0 FCAEMM CN([C@@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330642826 489126982 /nfs/dbraw/zinc/12/69/82/489126982.db2.gz GJRDKJKJVBPKTK-SNVBAGLBSA-N -1 1 352.409 0.607 10 0 FCAEMM C[C@@H](CN(C)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000282176227 489141662 /nfs/dbraw/zinc/14/16/62/489141662.db2.gz CWXFPRIHABNECW-VHSXEESVSA-N -1 1 367.410 0.431 10 0 FCAEMM C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290513139 489145785 /nfs/dbraw/zinc/14/57/85/489145785.db2.gz NLNPXSZWBAYQCD-AUTRQRHGSA-N -1 1 360.336 0.698 10 0 FCAEMM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282879744 489197130 /nfs/dbraw/zinc/19/71/30/489197130.db2.gz JISNPANRQJKMIP-CYBMUJFWSA-N -1 1 373.413 0.633 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282973888 489203179 /nfs/dbraw/zinc/20/31/79/489203179.db2.gz BAZYGEZHHURITA-FZMZJTMJSA-N -1 1 373.427 0.912 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)o1 ZINC000283148467 489219651 /nfs/dbraw/zinc/21/96/51/489219651.db2.gz JNURRQMBGDZZPI-SMDDNHRTSA-N -1 1 373.427 0.912 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])CCC1 ZINC000555221557 491241954 /nfs/dbraw/zinc/24/19/54/491241954.db2.gz CWFNMDYWFLDIBU-LBPRGKRZSA-N -1 1 362.448 0.188 10 0 FCAEMM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000349477006 489294926 /nfs/dbraw/zinc/29/49/26/489294926.db2.gz ICRBDZBMMOOEIF-LBPRGKRZSA-N -1 1 364.493 0.972 10 0 FCAEMM O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283715634 489295176 /nfs/dbraw/zinc/29/51/76/489295176.db2.gz MSKCIESVKUCOSF-NSHDSACASA-N -1 1 363.805 0.887 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)co1 ZINC000283727637 489296503 /nfs/dbraw/zinc/29/65/03/489296503.db2.gz VWKGVDMSLXIOOZ-BXUZGUMPSA-N -1 1 372.443 0.485 10 0 FCAEMM CCN1C[C@H](c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CC1=O ZINC000351395331 489355504 /nfs/dbraw/zinc/35/55/04/489355504.db2.gz XNEBILZMCZGWHT-SECBINFHSA-N -1 1 356.429 0.945 10 0 FCAEMM COCCN1CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000299272178 489426923 /nfs/dbraw/zinc/42/69/23/489426923.db2.gz ZCFWANLDJROGKV-UHFFFAOYSA-N -1 1 355.460 0.852 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(O)Cc3ccccc3C2)o1 ZINC000370949205 489431943 /nfs/dbraw/zinc/43/19/43/489431943.db2.gz YZYLAOJYTUMRNZ-UHFFFAOYSA-N -1 1 350.396 0.447 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371286870 489473571 /nfs/dbraw/zinc/47/35/71/489473571.db2.gz IPPHPYJONCDFMW-SDDRHHMPSA-N -1 1 352.464 0.853 10 0 FCAEMM O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000371309352 489475699 /nfs/dbraw/zinc/47/56/99/489475699.db2.gz XCTDLOHERPCLAS-NSHDSACASA-N -1 1 366.418 0.891 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@](C)(CO)C(C)C ZINC000427395907 489605013 /nfs/dbraw/zinc/60/50/13/489605013.db2.gz QUBKZENKBPRIAO-SFHVURJKSA-N -1 1 366.462 0.783 10 0 FCAEMM CC1(C2CC2)CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000427579904 489614700 /nfs/dbraw/zinc/61/47/00/489614700.db2.gz WRTYQSXQQLMVIF-UHFFFAOYSA-N -1 1 369.443 0.696 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 ZINC000427894768 489626617 /nfs/dbraw/zinc/62/66/17/489626617.db2.gz MNRSGIJLLILYTQ-ZDUSSCGKSA-N -1 1 369.443 0.886 10 0 FCAEMM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC000373126476 489671304 /nfs/dbraw/zinc/67/13/04/489671304.db2.gz VBRFCQDRGUIXFW-SNVBAGLBSA-N -1 1 370.456 0.205 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC3(C2)CCCCC3)o1 ZINC000469632298 489717838 /nfs/dbraw/zinc/71/78/38/489717838.db2.gz PMWWQNPHRBPTFC-UHFFFAOYSA-N -1 1 369.443 0.840 10 0 FCAEMM COc1ccc(N2C[C@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)c(OC)c1 ZINC000430320081 489731300 /nfs/dbraw/zinc/73/13/00/489731300.db2.gz LZLJPPZEPPTKBN-SNVBAGLBSA-N -1 1 372.385 0.375 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1=CCOCC1 ZINC000474688808 489780673 /nfs/dbraw/zinc/78/06/73/489780673.db2.gz CNBJRHSAORJTRB-UHFFFAOYSA-N -1 1 368.411 0.698 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@]1(CCO)CCOC1 ZINC000475832466 489853104 /nfs/dbraw/zinc/85/31/04/489853104.db2.gz WSAGDYGMFODULO-SFHVURJKSA-N -1 1 362.430 0.890 10 0 FCAEMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1nc2ccccc2c(=O)[n-]1 ZINC000377316224 489884176 /nfs/dbraw/zinc/88/41/76/489884176.db2.gz LJIVKYCCWUEPMK-SFHVURJKSA-N -1 1 374.466 0.861 10 0 FCAEMM Cc1cc(F)cc2c(O)c(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cnc12 ZINC000494377372 489888184 /nfs/dbraw/zinc/88/81/84/489888184.db2.gz YMEJNEDWXHSWRM-UHFFFAOYSA-N -1 1 365.346 0.750 10 0 FCAEMM Cc1cc(F)cc2c(O)c(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cnc12 ZINC000494377372 489888186 /nfs/dbraw/zinc/88/81/86/489888186.db2.gz YMEJNEDWXHSWRM-UHFFFAOYSA-N -1 1 365.346 0.750 10 0 FCAEMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)OCC ZINC000433879379 489903354 /nfs/dbraw/zinc/90/33/54/489903354.db2.gz VQJGJHULJWLZQS-MEQVVJDKSA-N -1 1 359.404 0.763 10 0 FCAEMM CCN(CC(=O)OC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477001839 489929869 /nfs/dbraw/zinc/92/98/69/489929869.db2.gz DOSDAASHBXQBMJ-UHFFFAOYSA-N -1 1 368.408 0.381 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000377610345 489929897 /nfs/dbraw/zinc/92/98/97/489929897.db2.gz CNQJAPRTLQVSKB-UHFFFAOYSA-N -1 1 354.366 0.725 10 0 FCAEMM O=C(N[C@H](Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1)c1ccco1 ZINC000477022513 489931800 /nfs/dbraw/zinc/93/18/00/489931800.db2.gz VHJOJIKUONIRGN-CYBMUJFWSA-N -1 1 366.381 0.939 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@@H]1O ZINC000462067038 489955350 /nfs/dbraw/zinc/95/53/50/489955350.db2.gz KFKDNHKVAFPUJS-HIFRSBDPSA-N -1 1 364.446 0.537 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)CCC1 ZINC000462084378 489956544 /nfs/dbraw/zinc/95/65/44/489956544.db2.gz OGFHWDBPKGGVEG-CYBMUJFWSA-N -1 1 351.446 0.298 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000477420791 489964017 /nfs/dbraw/zinc/96/40/17/489964017.db2.gz SDWWULDSLDPMKM-SNVBAGLBSA-N -1 1 359.342 0.217 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000571206683 491292756 /nfs/dbraw/zinc/29/27/56/491292756.db2.gz UBCLCABNVNGGIC-JTQLQIEISA-N -1 1 361.370 0.973 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000571206689 491292828 /nfs/dbraw/zinc/29/28/28/491292828.db2.gz UBCLCABNVNGGIC-SNVBAGLBSA-N -1 1 361.370 0.973 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N(C)C[C@@H](O)CN3CCOCC3)c[n-]c2n1 ZINC000478431857 490019246 /nfs/dbraw/zinc/01/92/46/490019246.db2.gz WPYVZWGOBQQCBP-CYBMUJFWSA-N -1 1 360.414 0.409 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000478583697 490026662 /nfs/dbraw/zinc/02/66/62/490026662.db2.gz SOWXJABNIQIJEK-GFCCVEGCSA-N -1 1 366.447 0.439 10 0 FCAEMM Cc1ncsc1CCS(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000564217006 491295021 /nfs/dbraw/zinc/29/50/21/491295021.db2.gz UVBBIULLTVLAIZ-LBPRGKRZSA-N -1 1 361.489 0.853 10 0 FCAEMM Cn1cc([C@@]2(C)CN(C(=O)c3c[n-]c4c(cnn4C)c3=O)CCO2)cn1 ZINC000378371551 490057084 /nfs/dbraw/zinc/05/70/84/490057084.db2.gz RURWWBOMOCETEO-QGZVFWFLSA-N -1 1 356.386 0.795 10 0 FCAEMM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1nc2ccccc2c(=O)[n-]1 ZINC000465065798 490079680 /nfs/dbraw/zinc/07/96/80/490079680.db2.gz LSWONCIFZBPGAA-VVVCHXIZSA-N -1 1 355.354 0.031 10 0 FCAEMM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000497407732 490158980 /nfs/dbraw/zinc/15/89/80/490158980.db2.gz MZVYBRRWCRLYAZ-NSHDSACASA-N -1 1 367.427 0.002 10 0 FCAEMM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533113848 490177995 /nfs/dbraw/zinc/17/79/95/490177995.db2.gz RVZVMIZLMXTNOT-ZIAGYGMSSA-N -1 1 368.397 0.425 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)o1 ZINC000507568497 490236518 /nfs/dbraw/zinc/23/65/18/490236518.db2.gz OKLALFDPZADKIQ-UHFFFAOYSA-N -1 1 353.404 0.316 10 0 FCAEMM COC(=O)c1cn(C2CN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)nn1 ZINC000507639233 490242925 /nfs/dbraw/zinc/24/29/25/490242925.db2.gz ZYRLIGDVSCJATJ-UHFFFAOYSA-N -1 1 368.353 0.719 10 0 FCAEMM COC(=O)c1cn(C2CN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)nn1 ZINC000507639233 490242928 /nfs/dbraw/zinc/24/29/28/490242928.db2.gz ZYRLIGDVSCJATJ-UHFFFAOYSA-N -1 1 368.353 0.719 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2)co1 ZINC000533702769 490276151 /nfs/dbraw/zinc/27/61/51/490276151.db2.gz JAVMTXXRXXABRM-UHFFFAOYSA-N -1 1 351.384 0.348 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000533925504 490299866 /nfs/dbraw/zinc/29/98/66/490299866.db2.gz YVMXOWRKRKSLIC-LLVKDONJSA-N -1 1 366.442 0.257 10 0 FCAEMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000547588414 490325648 /nfs/dbraw/zinc/32/56/48/490325648.db2.gz XUFQVECFLAVPTA-UHFFFAOYSA-N -1 1 358.464 0.862 10 0 FCAEMM CN(C)c1cccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000571617908 491319039 /nfs/dbraw/zinc/31/90/39/491319039.db2.gz HZROJBAGMBVENA-HNNXBMFYSA-N -1 1 355.460 0.970 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)co1 ZINC000534390777 490362072 /nfs/dbraw/zinc/36/20/72/490362072.db2.gz QFWVQBBIIJWLDB-UHFFFAOYSA-N -1 1 351.340 0.771 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)s[n-]1 ZINC000411229641 490409623 /nfs/dbraw/zinc/40/96/23/490409623.db2.gz TXRZWNFHCVRVBR-LBPRGKRZSA-N -1 1 351.476 0.938 10 0 FCAEMM CC(C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc2c(c1)OCO2 ZINC000449834465 490430936 /nfs/dbraw/zinc/43/09/36/490430936.db2.gz LKRIIVMOZQGGCY-UHFFFAOYSA-N -1 1 352.372 0.853 10 0 FCAEMM CC(C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000449834465 490430939 /nfs/dbraw/zinc/43/09/39/490430939.db2.gz LKRIIVMOZQGGCY-UHFFFAOYSA-N -1 1 352.372 0.853 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1nnc2n1CCC2 ZINC000509739993 490459411 /nfs/dbraw/zinc/45/94/11/490459411.db2.gz LTEGKWBQBUWRAY-UHFFFAOYSA-N -1 1 369.429 0.881 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cn1 ZINC000548551306 490504045 /nfs/dbraw/zinc/50/40/45/490504045.db2.gz PNZFMIJOTGBSBX-CYBMUJFWSA-N -1 1 371.415 0.086 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000450955876 490504064 /nfs/dbraw/zinc/50/40/64/490504064.db2.gz FODSKVMQZNZNOZ-GFCCVEGCSA-N -1 1 362.415 0.158 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000524041255 490514274 /nfs/dbraw/zinc/51/42/74/490514274.db2.gz VYHLJUVIDXFOKD-UHFFFAOYSA-N -1 1 355.358 0.201 10 0 FCAEMM CCc1c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cnn1-c1ccccn1 ZINC000500570424 490535557 /nfs/dbraw/zinc/53/55/57/490535557.db2.gz BRZUJHUAOAAXNP-UHFFFAOYSA-N -1 1 361.387 0.604 10 0 FCAEMM CCc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cnn1-c1ccccn1 ZINC000500570424 490535560 /nfs/dbraw/zinc/53/55/60/490535560.db2.gz BRZUJHUAOAAXNP-UHFFFAOYSA-N -1 1 361.387 0.604 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500592117 490537191 /nfs/dbraw/zinc/53/71/91/490537191.db2.gz NSYPMGSCTRUFGT-HTQZYQBOSA-N -1 1 361.449 0.094 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500592117 490537195 /nfs/dbraw/zinc/53/71/95/490537195.db2.gz NSYPMGSCTRUFGT-HTQZYQBOSA-N -1 1 361.449 0.094 10 0 FCAEMM O=C(c1cccnc1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000511013458 490555085 /nfs/dbraw/zinc/55/50/85/490555085.db2.gz WGIHRUMMHAERLH-UHFFFAOYSA-N -1 1 363.377 0.916 10 0 FCAEMM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000524856325 490564645 /nfs/dbraw/zinc/56/46/45/490564645.db2.gz RXHGTPIOGHYALP-CYBMUJFWSA-N -1 1 355.416 0.213 10 0 FCAEMM O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537123544 490650658 /nfs/dbraw/zinc/65/06/58/490650658.db2.gz WUSOAISVXBJGPE-CQSZACIVSA-N -1 1 368.397 0.869 10 0 FCAEMM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000512665637 490691770 /nfs/dbraw/zinc/69/17/70/490691770.db2.gz OMUBCBBEJPYYRJ-VIFPVBQESA-N -1 1 357.436 0.622 10 0 FCAEMM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000512665637 490691773 /nfs/dbraw/zinc/69/17/73/490691773.db2.gz OMUBCBBEJPYYRJ-VIFPVBQESA-N -1 1 357.436 0.622 10 0 FCAEMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)nc1 ZINC000557048946 491350985 /nfs/dbraw/zinc/35/09/85/491350985.db2.gz SSGKPDFSVBPVQI-UHFFFAOYSA-N -1 1 353.307 0.852 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000572159409 491353337 /nfs/dbraw/zinc/35/33/37/491353337.db2.gz KOHQCGAMAGTUPB-ZBFHGGJFSA-N -1 1 361.442 0.804 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O)c1ccc(F)cc1 ZINC000528337108 490789094 /nfs/dbraw/zinc/78/90/94/490789094.db2.gz HQRBDRMQIXRNEE-ZIAGYGMSSA-N -1 1 372.418 0.969 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O)c1ccc(F)cc1 ZINC000528337102 490789343 /nfs/dbraw/zinc/78/93/43/490789343.db2.gz HQRBDRMQIXRNEE-KBPBESRZSA-N -1 1 372.418 0.969 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)cnc2n1 ZINC000565145969 491355833 /nfs/dbraw/zinc/35/58/33/491355833.db2.gz ABXKMHHBLNPYQL-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000565145969 491355834 /nfs/dbraw/zinc/35/58/34/491355834.db2.gz ABXKMHHBLNPYQL-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM CC(C)(C)C1CC(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000504764848 490811083 /nfs/dbraw/zinc/81/10/83/490811083.db2.gz LJIFICHULMBOJU-UHFFFAOYSA-N -1 1 357.432 0.598 10 0 FCAEMM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000540252212 490811710 /nfs/dbraw/zinc/81/17/10/490811710.db2.gz AVXXIBFLPKFEFT-UHFFFAOYSA-N -1 1 354.363 0.887 10 0 FCAEMM O=C(NCCc1nc(=O)o[n-]1)c1cc(Br)cc2nc[nH]c21 ZINC000505075816 490818830 /nfs/dbraw/zinc/81/88/30/490818830.db2.gz JNMCYWROLRFJKI-UHFFFAOYSA-N -1 1 352.148 0.974 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000529742398 490870757 /nfs/dbraw/zinc/87/07/57/490870757.db2.gz VMDBBDFMTNXPMC-JTQLQIEISA-N -1 1 372.219 0.925 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)o1 ZINC000530076939 490887522 /nfs/dbraw/zinc/88/75/22/490887522.db2.gz VAMBKPHJUOETBS-SNVBAGLBSA-N -1 1 352.372 0.661 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc2oc(SCc3nc(=O)n(C)[n-]3)nc2c1 ZINC000542782188 490909056 /nfs/dbraw/zinc/90/90/56/490909056.db2.gz BIAOPVDSBYLGHA-UHFFFAOYSA-N -1 1 369.428 0.792 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc(C3CCC3)n2C)co1 ZINC000544376593 490967104 /nfs/dbraw/zinc/96/71/04/490967104.db2.gz TYJWBAVGCQZECR-UHFFFAOYSA-N -1 1 353.404 0.514 10 0 FCAEMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000531655540 490969597 /nfs/dbraw/zinc/96/95/97/490969597.db2.gz BBHRLLJEJXUEBU-MRVPVSSYSA-N -1 1 357.413 0.747 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000572483279 491373035 /nfs/dbraw/zinc/37/30/35/491373035.db2.gz XPBBNGJMUNMVBM-ZDUSSCGKSA-N -1 1 355.416 0.068 10 0 FCAEMM Cc1ncc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(N)n1 ZINC000572724823 491389385 /nfs/dbraw/zinc/38/93/85/491389385.db2.gz YROSVEZEXHIJGO-UHFFFAOYSA-N -1 1 355.402 0.981 10 0 FCAEMM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)o2)n1 ZINC000565619675 491389568 /nfs/dbraw/zinc/38/95/68/491389568.db2.gz IXYLBEWJGKGNLA-UHFFFAOYSA-N -1 1 363.193 0.693 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@@H]1C(=O)[O-] ZINC000566241771 491429601 /nfs/dbraw/zinc/42/96/01/491429601.db2.gz JSOSCKNPRNTVPY-YUELXQCFSA-N -1 1 351.447 0.689 10 0 FCAEMM Cn1[n-]c(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)nc1=O ZINC000574501793 491500986 /nfs/dbraw/zinc/50/09/86/491500986.db2.gz GJLTXABKNFAZHZ-FZMZJTMJSA-N -1 1 353.785 0.963 10 0 FCAEMM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2=O)n(C)n1 ZINC000575199628 491545516 /nfs/dbraw/zinc/54/55/16/491545516.db2.gz GSOYZIXFUASLBQ-LLVKDONJSA-N -1 1 369.472 0.886 10 0 FCAEMM CNS(=O)(=O)c1ccccc1N1CCN(CC2(C(=O)[O-])CC2)CC1 ZINC000576285817 491601688 /nfs/dbraw/zinc/60/16/88/491601688.db2.gz WVRDVIWIMZRQPJ-UHFFFAOYSA-N -1 1 353.444 0.582 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000576561771 491624949 /nfs/dbraw/zinc/62/49/49/491624949.db2.gz UEMYOLGHXPFPDO-BHYNMZESSA-N -1 1 357.414 0.720 10 0 FCAEMM Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)n1 ZINC000578394856 491676231 /nfs/dbraw/zinc/67/62/31/491676231.db2.gz GLVAGFNULJOIKJ-UHFFFAOYSA-N -1 1 355.420 0.764 10 0 FCAEMM NC(=O)Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cc1 ZINC000584611631 491709132 /nfs/dbraw/zinc/70/91/32/491709132.db2.gz JPTJCMCWBYLRNP-UHFFFAOYSA-N -1 1 358.383 0.209 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000579953037 491710780 /nfs/dbraw/zinc/71/07/80/491710780.db2.gz CALMWHFAQQFCJC-CABCVRRESA-N -1 1 356.444 0.900 10 0 FCAEMM CCOC(=O)C[C@@H](CO)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000590553995 491778843 /nfs/dbraw/zinc/77/88/43/491778843.db2.gz PGKUPYNCPISNLI-JTQLQIEISA-N -1 1 357.432 0.575 10 0 FCAEMM CCN(C)C(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000591450568 491806081 /nfs/dbraw/zinc/80/60/81/491806081.db2.gz QVRXLKKRQHGNEF-UHFFFAOYSA-N -1 1 351.388 0.552 10 0 FCAEMM CCN(C)C(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000591450568 491806082 /nfs/dbraw/zinc/80/60/82/491806082.db2.gz QVRXLKKRQHGNEF-UHFFFAOYSA-N -1 1 351.388 0.552 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000673836373 493365263 /nfs/dbraw/zinc/36/52/63/493365263.db2.gz PONIZPMFNBILNH-UHFFFAOYSA-N -1 1 370.475 0.944 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccnn1C ZINC000592089904 491831434 /nfs/dbraw/zinc/83/14/34/491831434.db2.gz CNXOSRXJMREGJK-CQSZACIVSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccnn1C ZINC000592089837 491831440 /nfs/dbraw/zinc/83/14/40/491831440.db2.gz ASUJUFWNZFOYJF-CQSZACIVSA-N -1 1 369.399 0.630 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)o1 ZINC000592091747 491831655 /nfs/dbraw/zinc/83/16/55/491831655.db2.gz KRCFGHCJUQTTLG-GFCCVEGCSA-N -1 1 371.371 0.382 10 0 FCAEMM Cn1ccnc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)c1=O ZINC000584199422 491860635 /nfs/dbraw/zinc/86/06/35/491860635.db2.gz HDAURIZQBYREFS-UHFFFAOYSA-N -1 1 350.325 0.727 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1F ZINC000600661491 491873591 /nfs/dbraw/zinc/87/35/91/491873591.db2.gz ZBZLITWXVPOYOE-MRVPVSSYSA-N -1 1 355.290 0.843 10 0 FCAEMM CCOC(=O)c1nnc([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)s1 ZINC000600818627 491885067 /nfs/dbraw/zinc/88/50/67/491885067.db2.gz KUNRAHZIHFHQDI-MRVPVSSYSA-N -1 1 352.376 0.595 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cc1C ZINC000595328557 491919778 /nfs/dbraw/zinc/91/97/78/491919778.db2.gz WGCSGPXBDLARDV-UHFFFAOYSA-N -1 1 351.402 0.088 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000595341692 491921902 /nfs/dbraw/zinc/92/19/02/491921902.db2.gz JXHSSOHMANMCMK-VHSXEESVSA-N -1 1 365.429 0.619 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC000613476074 491982695 /nfs/dbraw/zinc/98/26/95/491982695.db2.gz TVJVBXSOQGUSNZ-KXUCPTDWSA-N -1 1 351.329 0.746 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)n1 ZINC000597573609 492048303 /nfs/dbraw/zinc/04/83/03/492048303.db2.gz GKESGCARYJFPBQ-QWHCGFSZSA-N -1 1 366.418 0.739 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CC2CCN(OC)CC2)c1 ZINC000615054100 492070563 /nfs/dbraw/zinc/07/05/63/492070563.db2.gz MPNNHRQYSWICFR-UHFFFAOYSA-N -1 1 357.432 0.902 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266409 492083336 /nfs/dbraw/zinc/08/33/36/492083336.db2.gz STSUBDYIWDPFKT-QWHCGFSZSA-N -1 1 373.413 0.680 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266409 492083338 /nfs/dbraw/zinc/08/33/38/492083338.db2.gz STSUBDYIWDPFKT-QWHCGFSZSA-N -1 1 373.413 0.680 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)n[n-]1 ZINC000615919135 492107044 /nfs/dbraw/zinc/10/70/44/492107044.db2.gz BGAUULOOXYYYGF-UHFFFAOYSA-N -1 1 368.353 0.457 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 ZINC000615919135 492107047 /nfs/dbraw/zinc/10/70/47/492107047.db2.gz BGAUULOOXYYYGF-UHFFFAOYSA-N -1 1 368.353 0.457 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCCNC(=O)c2ccsc2)n[n-]1 ZINC000615917055 492107381 /nfs/dbraw/zinc/10/73/81/492107381.db2.gz JTRUQVGWUWAPLX-UHFFFAOYSA-N -1 1 365.415 0.869 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCCNC(=O)c2ccsc2)n1 ZINC000615917055 492107382 /nfs/dbraw/zinc/10/73/82/492107382.db2.gz JTRUQVGWUWAPLX-UHFFFAOYSA-N -1 1 365.415 0.869 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)Cc2cccc(F)c2)n[n-]1 ZINC000615918766 492107420 /nfs/dbraw/zinc/10/74/20/492107420.db2.gz ZYHKNPPQMQELFQ-UHFFFAOYSA-N -1 1 363.349 0.096 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)Cc2cccc(F)c2)n1 ZINC000615918766 492107422 /nfs/dbraw/zinc/10/74/22/492107422.db2.gz ZYHKNPPQMQELFQ-UHFFFAOYSA-N -1 1 363.349 0.096 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1 ZINC000615920050 492107993 /nfs/dbraw/zinc/10/79/93/492107993.db2.gz MQTHNGXSHNEERF-SNVBAGLBSA-N -1 1 361.358 0.239 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000615920050 492107995 /nfs/dbraw/zinc/10/79/95/492107995.db2.gz MQTHNGXSHNEERF-SNVBAGLBSA-N -1 1 361.358 0.239 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)n[n-]1 ZINC000616028506 492115100 /nfs/dbraw/zinc/11/51/00/492115100.db2.gz KOPUYHDEJRVOND-UHFFFAOYSA-N -1 1 367.312 0.306 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)n1 ZINC000616028506 492115103 /nfs/dbraw/zinc/11/51/03/492115103.db2.gz KOPUYHDEJRVOND-UHFFFAOYSA-N -1 1 367.312 0.306 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)n1 ZINC000606931252 492133382 /nfs/dbraw/zinc/13/33/82/492133382.db2.gz OOVGEMVQRUBHCY-UHFFFAOYSA-N -1 1 351.319 0.853 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)[n-]1 ZINC000606931252 492133384 /nfs/dbraw/zinc/13/33/84/492133384.db2.gz OOVGEMVQRUBHCY-UHFFFAOYSA-N -1 1 351.319 0.853 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)CN(C)C)on1 ZINC000599228073 492145852 /nfs/dbraw/zinc/14/58/52/492145852.db2.gz YHOHCQWVXADFNS-ZDUSSCGKSA-N -1 1 367.427 0.912 10 0 FCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)C(C)C ZINC000599266757 492151773 /nfs/dbraw/zinc/15/17/73/492151773.db2.gz LQUDUJRNFSSLNY-LBPRGKRZSA-N -1 1 364.370 0.800 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC)[C@H](O)C(F)(F)F)on1 ZINC000599269536 492152429 /nfs/dbraw/zinc/15/24/29/492152429.db2.gz RGYSGSNECZJNDL-WPRPVWTQSA-N -1 1 374.337 0.973 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](COC)[C@@H]2CCCO2)on1 ZINC000599293558 492156012 /nfs/dbraw/zinc/15/60/12/492156012.db2.gz ZHOYLKHIMIVYKQ-OLZOCXBDSA-N -1 1 362.404 0.465 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)no1 ZINC000608050705 492164742 /nfs/dbraw/zinc/16/47/42/492164742.db2.gz OERNVRVGBGGXPC-ZANVPECISA-N -1 1 353.404 0.330 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000599402923 492168781 /nfs/dbraw/zinc/16/87/81/492168781.db2.gz HAYLLBSLQFFGDM-RISCZKNCSA-N -1 1 372.443 0.175 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)o1 ZINC000617526573 492174105 /nfs/dbraw/zinc/17/41/05/492174105.db2.gz BZLKCDYQVYBWJA-GRYCIOLGSA-N -1 1 360.432 0.484 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1n[nH]c(COC)n1 ZINC000617938160 492205751 /nfs/dbraw/zinc/20/57/51/492205751.db2.gz OMUUUWWZHLKUFI-UHFFFAOYSA-N -1 1 353.404 0.643 10 0 FCAEMM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CC2CN(C)C2)c1 ZINC000618194334 492214845 /nfs/dbraw/zinc/21/48/45/492214845.db2.gz ZPSCBNWVUQYXDG-UHFFFAOYSA-N -1 1 368.459 0.650 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000618319784 492223964 /nfs/dbraw/zinc/22/39/64/492223964.db2.gz RBQFBTXZDLGJIQ-BXKDBHETSA-N -1 1 366.443 0.676 10 0 FCAEMM CC1(C)[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1(F)F ZINC000619394899 492261850 /nfs/dbraw/zinc/26/18/50/492261850.db2.gz YAVFIUXJONZPDU-QMMMGPOBSA-N -1 1 365.358 0.064 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)co1 ZINC000620102538 492288307 /nfs/dbraw/zinc/28/83/07/492288307.db2.gz SMJBIBCGKCWJSM-LBPRGKRZSA-N -1 1 370.431 0.208 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[C@H]1C(=O)[O-] ZINC000647483757 492294721 /nfs/dbraw/zinc/29/47/21/492294721.db2.gz IYVCJHWRJXCXHL-BXUZGUMPSA-N -1 1 357.370 0.775 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)o1 ZINC000620405135 492307002 /nfs/dbraw/zinc/30/70/02/492307002.db2.gz QJLSFOKUUPINKV-LLVKDONJSA-N -1 1 357.432 0.565 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)o1 ZINC000620788237 492336377 /nfs/dbraw/zinc/33/63/77/492336377.db2.gz LQCVLZRQHZWSKC-QMMMGPOBSA-N -1 1 356.322 0.981 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298275 492428262 /nfs/dbraw/zinc/42/82/62/492428262.db2.gz CGEYMTWBTGQGBR-QWHCGFSZSA-N -1 1 353.444 0.339 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000622079747 492451451 /nfs/dbraw/zinc/45/14/51/492451451.db2.gz AWINNXPJCAUYHF-LZWOXQAQSA-N -1 1 374.441 0.983 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1COCCN1C ZINC000628922172 492565605 /nfs/dbraw/zinc/56/56/05/492565605.db2.gz MZVILGLLJXWZMK-OAHLLOKOSA-N -1 1 371.441 0.932 10 0 FCAEMM NS(=O)(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000629185733 492587288 /nfs/dbraw/zinc/58/72/88/492587288.db2.gz KBQJSKQSNWLPEN-UHFFFAOYSA-N -1 1 367.349 0.809 10 0 FCAEMM NS(=O)(=O)NC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000629188712 492589730 /nfs/dbraw/zinc/58/97/30/492589730.db2.gz AADWMXQYUYSSAT-UHFFFAOYSA-N -1 1 350.400 0.338 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)c(=O)c2c(OC)c1 ZINC000629208656 492591211 /nfs/dbraw/zinc/59/12/11/492591211.db2.gz SSALNKMSXOSEEK-AOOOYVTPSA-N -1 1 359.382 0.881 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629402200 492622230 /nfs/dbraw/zinc/62/22/30/492622230.db2.gz KRGFQPAPAXIWNB-GFCCVEGCSA-N -1 1 361.402 0.087 10 0 FCAEMM CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506451 492646755 /nfs/dbraw/zinc/64/67/55/492646755.db2.gz MMAKKKZOVOYSNE-HZPDHXFCSA-N -1 1 355.479 0.789 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)[C@@H]1CCOC1 ZINC000656734476 492648244 /nfs/dbraw/zinc/64/82/44/492648244.db2.gz FUUKRLZINOFSHX-PSASIEDQSA-N -1 1 368.253 0.976 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)[C@H]1CCOC1 ZINC000656734483 492648271 /nfs/dbraw/zinc/64/82/71/492648271.db2.gz FUUKRLZINOFSHX-WCBMZHEXSA-N -1 1 368.253 0.976 10 0 FCAEMM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656899778 492663407 /nfs/dbraw/zinc/66/34/07/492663407.db2.gz VGMFTMFUJDDSGL-SNVBAGLBSA-N -1 1 363.281 0.368 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ncccc2Br)O1 ZINC000656934692 492672719 /nfs/dbraw/zinc/67/27/19/492672719.db2.gz LKASPGDHUZZVEL-APPZFPTMSA-N -1 1 364.221 0.155 10 0 FCAEMM CN(C)C(=O)NCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656951855 492677166 /nfs/dbraw/zinc/67/71/66/492677166.db2.gz OASYBGHMHLJASB-UHFFFAOYSA-N -1 1 351.226 0.394 10 0 FCAEMM CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000656976266 492684914 /nfs/dbraw/zinc/68/49/14/492684914.db2.gz IZQGNCMWBUFMNF-UHFFFAOYSA-N -1 1 369.262 0.700 10 0 FCAEMM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656976102 492685203 /nfs/dbraw/zinc/68/52/03/492685203.db2.gz NFGNJMUYORFTME-KCJUWKMLSA-N -1 1 351.222 0.662 10 0 FCAEMM C/C=C\C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000629879615 492692781 /nfs/dbraw/zinc/69/27/81/492692781.db2.gz SVFBWBDUUXMMRM-DLGQBQFBSA-N -1 1 369.443 0.862 10 0 FCAEMM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1ncccc1Br ZINC000657023492 492696814 /nfs/dbraw/zinc/69/68/14/492696814.db2.gz RTHSZWBNMJAXRQ-NSHDSACASA-N -1 1 351.222 0.664 10 0 FCAEMM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000657030806 492700671 /nfs/dbraw/zinc/70/06/71/492700671.db2.gz SJGXZAOBXRPTRW-QMMMGPOBSA-N -1 1 355.160 0.894 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(F)c(F)cc1F ZINC000657087583 492713700 /nfs/dbraw/zinc/71/37/00/492713700.db2.gz VPOCVMORNSKTEH-ZDUSSCGKSA-N -1 1 355.334 0.550 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1)c1ccc(F)cc1 ZINC000625275603 492749337 /nfs/dbraw/zinc/74/93/37/492749337.db2.gz JERXAANGEQTJPK-GFCCVEGCSA-N -1 1 357.363 0.720 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)[n-]1 ZINC000651654395 492800979 /nfs/dbraw/zinc/80/09/79/492800979.db2.gz NWULLWBMWCCIRP-CQSZACIVSA-N -1 1 358.446 0.856 10 0 FCAEMM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1ncccc1Br ZINC000625515787 492806570 /nfs/dbraw/zinc/80/65/70/492806570.db2.gz INLLTIPFPYKKND-VIFPVBQESA-N -1 1 350.238 0.453 10 0 FCAEMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ncccc2Br)CCS1(=O)=O ZINC000625520943 492809812 /nfs/dbraw/zinc/80/98/12/492809812.db2.gz LDOMZUHLWFHUOA-VXNVDRBHSA-N -1 1 369.262 0.698 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)[n-]1 ZINC000651806755 492826519 /nfs/dbraw/zinc/82/65/19/492826519.db2.gz ZLXASSUUTGKNOR-GOEBONIOSA-N -1 1 370.457 0.999 10 0 FCAEMM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000625626056 492846158 /nfs/dbraw/zinc/84/61/58/492846158.db2.gz XEWSJPULCSXQGY-UHFFFAOYSA-N -1 1 371.843 0.248 10 0 FCAEMM Cc1cn2c(n1)C[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])CC2 ZINC000626339014 492964404 /nfs/dbraw/zinc/96/44/04/492964404.db2.gz RDBHVJRHDDMQMC-SNVBAGLBSA-N -1 1 350.400 0.746 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCC12CC2)[N-]CC(F)F ZINC000632321101 492972428 /nfs/dbraw/zinc/97/24/28/492972428.db2.gz ASOVCUHVLWPLTE-JTQLQIEISA-N -1 1 360.448 0.813 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)c(=O)n(C)c1=O ZINC000645812039 492978004 /nfs/dbraw/zinc/97/80/04/492978004.db2.gz IKMXVRURQQVEJN-CQSZACIVSA-N -1 1 355.460 0.721 10 0 FCAEMM Cc1ccc(C2([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CCC2)cc1 ZINC000645870900 492985401 /nfs/dbraw/zinc/98/54/01/492985401.db2.gz HPCRIHUNWKGGNB-UHFFFAOYSA-N -1 1 363.439 0.750 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)c(F)c1 ZINC000632494079 493011474 /nfs/dbraw/zinc/01/14/74/493011474.db2.gz ULIQKRHWXZSHHE-JTQLQIEISA-N -1 1 355.384 0.827 10 0 FCAEMM COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000652779977 493018662 /nfs/dbraw/zinc/01/86/62/493018662.db2.gz ABPCUWJVZOTHCA-WDEREUQCSA-N -1 1 360.432 0.578 10 0 FCAEMM O=C(c1ccnc(N2CCOCC2)n1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000626845372 493033014 /nfs/dbraw/zinc/03/30/14/493033014.db2.gz ACPIHLLXOHKCIV-LLVKDONJSA-N -1 1 360.374 0.422 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCN1C1CCC1 ZINC000632601609 493043255 /nfs/dbraw/zinc/04/32/55/493043255.db2.gz JXQUKMPCCAMHKL-MRVPVSSYSA-N -1 1 352.338 0.860 10 0 FCAEMM O=C(CCc1nn[n-]n1)N(CCO)Cc1ccc(Br)s1 ZINC000632751864 493084779 /nfs/dbraw/zinc/08/47/79/493084779.db2.gz CXHDJQGBBYXXHD-UHFFFAOYSA-N -1 1 360.237 0.977 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)NCC3(C(=O)[O-])CCC3)[C@H](C)C2)n[nH]1 ZINC000659426552 493174540 /nfs/dbraw/zinc/17/45/40/493174540.db2.gz YCBYDPFTNRSPDZ-GFCCVEGCSA-N -1 1 363.418 0.829 10 0 FCAEMM C[C@H]1CN(CCCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H](C)O1 ZINC000659392833 493201721 /nfs/dbraw/zinc/20/17/21/493201721.db2.gz SYLUPJRMQAOGDV-SZOQZIPDSA-N -1 1 355.435 0.228 10 0 FCAEMM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659655735 493233719 /nfs/dbraw/zinc/23/37/19/493233719.db2.gz XQFIWOPCVIHLPX-ZBFHGGJFSA-N -1 1 373.453 0.994 10 0 FCAEMM COc1cc(C(=O)NCc2c[nH]nn2)cc([N-]S(C)(=O)=O)c1OC ZINC000673947387 493376544 /nfs/dbraw/zinc/37/65/44/493376544.db2.gz PLAMQTNGTRSNPS-UHFFFAOYSA-N -1 1 355.376 0.123 10 0 FCAEMM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000669845057 493529387 /nfs/dbraw/zinc/52/93/87/493529387.db2.gz HSNLKCHDJZEIDR-UHFFFAOYSA-N -1 1 356.828 0.838 10 0 FCAEMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662921019 493553451 /nfs/dbraw/zinc/55/34/51/493553451.db2.gz CTSJNPXEIDKNPG-RKDXNWHRSA-N -1 1 367.406 0.253 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC000663616914 493604846 /nfs/dbraw/zinc/60/48/46/493604846.db2.gz ANPMBQDYJFGRFK-HUUCEWRRSA-N -1 1 369.462 0.077 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)nc1=O ZINC000680391911 493715418 /nfs/dbraw/zinc/71/54/18/493715418.db2.gz YIPLPKTXIKTXKR-ZDUSSCGKSA-N -1 1 351.432 0.515 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c(F)c1 ZINC000425203850 535303094 /nfs/dbraw/zinc/30/30/94/535303094.db2.gz GRFXEERZVGLCBB-VXGBXAGGSA-N -1 1 366.436 0.779 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000424865943 536920464 /nfs/dbraw/zinc/92/04/64/536920464.db2.gz NCLDVJUROHSEMZ-SHACYNPGSA-N -1 1 354.472 0.766 10 0 FCAEMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106152 546608015 /nfs/dbraw/zinc/60/80/15/546608015.db2.gz QMDKOKJPGWVEEV-PWSUYJOCSA-N -1 1 374.463 0.199 10 0 FCAEMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106150 546608505 /nfs/dbraw/zinc/60/85/05/546608505.db2.gz QMDKOKJPGWVEEV-CMPLNLGQSA-N -1 1 374.463 0.199 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c1OCCO2)c1ccnn1C ZINC000592093569 546609104 /nfs/dbraw/zinc/60/91/04/546609104.db2.gz SVEKSVWLIVDRPL-CYBMUJFWSA-N -1 1 367.383 0.384 10 0 FCAEMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 ZINC000593633441 546724623 /nfs/dbraw/zinc/72/46/23/546724623.db2.gz HGHGQQHTZJLYPQ-GFCCVEGCSA-N -1 1 367.420 0.411 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C)c1cccc(OC)c1 ZINC000594822522 546836427 /nfs/dbraw/zinc/83/64/27/546836427.db2.gz MIDYIXUEMHWJNF-AWEZNQCLSA-N -1 1 353.400 0.930 10 0 FCAEMM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1nc(COC)n[nH]1 ZINC000594828034 546838399 /nfs/dbraw/zinc/83/83/99/546838399.db2.gz QLFUPKLXFQDQMB-SSDOTTSWSA-N -1 1 374.341 0.255 10 0 FCAEMM CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000373116137 546897083 /nfs/dbraw/zinc/89/70/83/546897083.db2.gz RZGXDISANSPHLX-NSHDSACASA-N -1 1 358.464 0.842 10 0 FCAEMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000550879888 547112571 /nfs/dbraw/zinc/11/25/71/547112571.db2.gz UBHTWTLDPFVWRW-UHFFFAOYSA-N -1 1 372.428 0.426 10 0 FCAEMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000550879888 547112575 /nfs/dbraw/zinc/11/25/75/547112575.db2.gz UBHTWTLDPFVWRW-UHFFFAOYSA-N -1 1 372.428 0.426 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867505637 663138279 /nfs/dbraw/zinc/13/82/79/663138279.db2.gz AAEWUIRRLWDXAA-IONNQARKSA-N -1 1 355.199 0.997 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1Br ZINC000866848095 663141821 /nfs/dbraw/zinc/14/18/21/663141821.db2.gz NIDVIYINLVVMCW-ZCFIWIBFSA-N -1 1 366.159 0.774 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)N1CCN(C)CC1 ZINC000866857303 663467089 /nfs/dbraw/zinc/46/70/89/663467089.db2.gz DKOUKOXYSFFVRF-QKFKETGDSA-N -1 1 374.532 0.614 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000866893220 664288837 /nfs/dbraw/zinc/28/88/37/664288837.db2.gz NQCDWDHRKLVNBP-PRJMDXOYSA-N -1 1 363.237 0.460 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000727754636 665067709 /nfs/dbraw/zinc/06/77/09/665067709.db2.gz VBAGGRVJDMJTKV-JTQLQIEISA-N -1 1 363.399 0.013 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCOC1 ZINC000866947320 665237978 /nfs/dbraw/zinc/23/79/78/665237978.db2.gz NVOAPNZNVVFEMC-NSHDSACASA-N -1 1 355.199 0.999 10 0 FCAEMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866965932 665251978 /nfs/dbraw/zinc/25/19/78/665251978.db2.gz QDWLYPDCIWQMMO-SSDOTTSWSA-N -1 1 363.383 0.540 10 0 FCAEMM CC(C)(C)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)C1=O ZINC000907477149 666132766 /nfs/dbraw/zinc/13/27/66/666132766.db2.gz REXNSJDLHAZBIM-WDEREUQCSA-N -1 1 352.464 0.853 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000908718597 666215636 /nfs/dbraw/zinc/21/56/36/666215636.db2.gz YYKJPPIRQJVWOL-OAGGEKHMSA-N -1 1 352.479 0.766 10 0 FCAEMM COCC[N@@H+](C)CCNC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000908919934 666221316 /nfs/dbraw/zinc/22/13/16/666221316.db2.gz FRGJGNDTGKJPLZ-HNNXBMFYSA-N -1 1 351.403 0.795 10 0 FCAEMM CN1CCN(c2cc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)ccn2)CC1 ZINC000911156402 666317390 /nfs/dbraw/zinc/31/73/90/666317390.db2.gz GKIKWZHWORSRMU-LLVKDONJSA-N -1 1 360.336 0.969 10 0 FCAEMM CC(C)(O)[C@H](O)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000911196517 666325985 /nfs/dbraw/zinc/32/59/85/666325985.db2.gz FEACPMBIHITBHG-CMPLNLGQSA-N -1 1 360.332 0.755 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCSC1 ZINC000921401540 666443327 /nfs/dbraw/zinc/44/33/27/666443327.db2.gz ALUVWEVHYLHXJS-VIFPVBQESA-N -1 1 356.267 0.973 10 0 FCAEMM CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912491772 666446113 /nfs/dbraw/zinc/44/61/13/666446113.db2.gz MTYSTSTYTIQAOH-LLVKDONJSA-N -1 1 362.352 0.412 10 0 FCAEMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000921433576 666451151 /nfs/dbraw/zinc/45/11/51/666451151.db2.gz QNZJCIVACSQFTK-QKVFXAPYSA-N -1 1 355.526 0.828 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)C(N)=O)c1F ZINC000913871427 666660191 /nfs/dbraw/zinc/66/01/91/666660191.db2.gz CWQULIXTFKMKOF-YFKPBYRVSA-N -1 1 355.185 0.749 10 0 FCAEMM O=C(CCNC(=O)OCC(F)(F)F)NC1(c2nn[n-]n2)CCCC1 ZINC000735821508 667050894 /nfs/dbraw/zinc/05/08/94/667050894.db2.gz KJZSDFBVYNJRLY-UHFFFAOYSA-N -1 1 350.301 0.764 10 0 FCAEMM Cc1cc(F)ccc1[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000921565604 667137279 /nfs/dbraw/zinc/13/72/79/667137279.db2.gz FKOIQUFSURDRNU-JTQLQIEISA-N -1 1 355.391 0.571 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1C(F)(F)F ZINC000921614497 667144345 /nfs/dbraw/zinc/14/43/45/667144345.db2.gz OCRIEWUJVRHPNV-HLTSFMKQSA-N -1 1 355.338 0.521 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1ccc(Br)o1 ZINC000918980449 667145897 /nfs/dbraw/zinc/14/58/97/667145897.db2.gz MJLXWQVLGRTOFY-VIFPVBQESA-N -1 1 369.237 0.014 10 0 FCAEMM CN1C[C@@H](CC[N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000921057607 667266041 /nfs/dbraw/zinc/26/60/41/667266041.db2.gz CFXHBWPYNATUNO-ZETCQYMHSA-N -1 1 351.226 0.319 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000921861079 667522585 /nfs/dbraw/zinc/52/25/85/667522585.db2.gz IGWKNIYZFTWKKC-LDYMZIIASA-N -1 1 371.337 0.302 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H]1CCN1C1CCOCC1 ZINC000921911748 667540206 /nfs/dbraw/zinc/54/02/06/667540206.db2.gz SXCXVNOFBFMXCN-CYBMUJFWSA-N -1 1 351.494 0.336 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)co1 ZINC000753748332 667564502 /nfs/dbraw/zinc/56/45/02/667564502.db2.gz HCAAXYXOLDUOHU-WAYWQWQTSA-N -1 1 373.431 0.998 10 0 FCAEMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000805136790 667719699 /nfs/dbraw/zinc/71/96/99/667719699.db2.gz AAHOPJRBZITFCN-LURJTMIESA-N -1 1 354.743 0.311 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCCS(C)(=O)=O ZINC000759891417 667826635 /nfs/dbraw/zinc/82/66/35/667826635.db2.gz ZZKDXLMMJNGZEQ-UHFFFAOYSA-N -1 1 355.416 0.962 10 0 FCAEMM COC1(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOCC1 ZINC000866994311 667960515 /nfs/dbraw/zinc/96/05/15/667960515.db2.gz IRAFGAVDBKNCQQ-UHFFFAOYSA-N -1 1 357.354 0.913 10 0 FCAEMM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000764153029 667974256 /nfs/dbraw/zinc/97/42/56/667974256.db2.gz SKXXFKBSDHLGSC-MRVPVSSYSA-N -1 1 371.440 0.317 10 0 FCAEMM Cn1[n-]c(COC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1=O ZINC000765438179 668007045 /nfs/dbraw/zinc/00/70/45/668007045.db2.gz LWPWFNALTORSME-UHFFFAOYSA-N -1 1 365.289 0.759 10 0 FCAEMM O=C(Cn1ccc(=O)c2ccccc21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773154528 668075869 /nfs/dbraw/zinc/07/58/69/668075869.db2.gz RTJNBBZZDHYDGB-ZDUSSCGKSA-N -1 1 356.411 0.831 10 0 FCAEMM Cc1ccc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)NC(C)C)c[nH]2)o1 ZINC000773230227 668082532 /nfs/dbraw/zinc/08/25/32/668082532.db2.gz DZJMOFBYISBYTD-UHFFFAOYSA-N -1 1 374.444 0.975 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CCO)o1 ZINC000769057781 668112345 /nfs/dbraw/zinc/11/23/45/668112345.db2.gz XMGNRQSUWWGBPQ-LLVKDONJSA-N -1 1 360.432 0.580 10 0 FCAEMM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCCCc1cn[nH]n1 ZINC000774031928 668120871 /nfs/dbraw/zinc/12/08/71/668120871.db2.gz XKSULHOLJVPPBI-UHFFFAOYSA-N -1 1 372.428 0.871 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC000769636692 668145007 /nfs/dbraw/zinc/14/50/07/668145007.db2.gz GBILGKVMBVKCCG-NSHDSACASA-N -1 1 372.447 0.086 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2noc(C)n2)c(=O)[nH]c1=O ZINC000769659324 668147086 /nfs/dbraw/zinc/14/70/86/668147086.db2.gz HOQMPNZTNCXMHV-UHFFFAOYSA-N -1 1 371.419 0.699 10 0 FCAEMM O=C(CC1COC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000771608373 668260989 /nfs/dbraw/zinc/26/09/89/668260989.db2.gz JSWDSUFMLHWJID-UHFFFAOYSA-N -1 1 356.400 0.388 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)[n-]1 ZINC000777521896 668328834 /nfs/dbraw/zinc/32/88/34/668328834.db2.gz LIXVJPALDKGAPA-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)n[n-]1 ZINC000777521896 668328837 /nfs/dbraw/zinc/32/88/37/668328837.db2.gz LIXVJPALDKGAPA-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CCC(=O)N1CC[C@@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782641099 668573235 /nfs/dbraw/zinc/57/32/35/668573235.db2.gz ABTLQYHWADVMDY-SNVBAGLBSA-N -1 1 354.325 0.483 10 0 FCAEMM CC(C)(C)N1C[C@@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)CC1=O ZINC000782645670 668573627 /nfs/dbraw/zinc/57/36/27/668573627.db2.gz OGHUNXDXBIQKKL-JTQLQIEISA-N -1 1 368.352 0.872 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2cn(C)nn2)c(=O)[nH]c1=O ZINC000782983462 668591967 /nfs/dbraw/zinc/59/19/67/668591967.db2.gz KCOVXSWNMXUULS-UHFFFAOYSA-N -1 1 370.435 0.136 10 0 FCAEMM C[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000786195773 668749343 /nfs/dbraw/zinc/74/93/43/668749343.db2.gz ACRNSVQZTGEDSS-LURJTMIESA-N -1 1 358.294 0.398 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccnc3n[nH]nc32)C1)C(F)(F)F ZINC000793470716 668929334 /nfs/dbraw/zinc/92/93/34/668929334.db2.gz ZVOTUIZVUUAFOO-QMMMGPOBSA-N -1 1 356.308 0.884 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469064 668929380 /nfs/dbraw/zinc/92/93/80/668929380.db2.gz NYYPXPFTQJNEBL-NXEZZACHSA-N -1 1 354.325 0.218 10 0 FCAEMM COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795853412 669065406 /nfs/dbraw/zinc/06/54/06/669065406.db2.gz QFPCPGGOFMUEOI-ZDUSSCGKSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(F)cc1Cl ZINC000795897774 669069988 /nfs/dbraw/zinc/06/99/88/669069988.db2.gz JHFJRPKSDWSEAS-ZDUSSCGKSA-N -1 1 367.782 0.695 10 0 FCAEMM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867033263 669095073 /nfs/dbraw/zinc/09/50/73/669095073.db2.gz GPLOEJRJOOHBNX-HTQZYQBOSA-N -1 1 354.354 0.632 10 0 FCAEMM COc1cccc(Cl)c1CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798145165 669212060 /nfs/dbraw/zinc/21/20/60/669212060.db2.gz HXPOQBANORRQKU-UHFFFAOYSA-N -1 1 351.794 0.914 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)ccnc1-2 ZINC000806483019 669416733 /nfs/dbraw/zinc/41/67/33/669416733.db2.gz XRTCJVMNJSMFDD-NSHDSACASA-N -1 1 366.447 0.277 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)ccnc1-2 ZINC000806493042 669417431 /nfs/dbraw/zinc/41/74/31/669417431.db2.gz NYWJMYFCOVPASW-ZYHUDNBSSA-N -1 1 366.447 0.181 10 0 FCAEMM CO[C@H](CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(F)(F)F ZINC000807029333 669461265 /nfs/dbraw/zinc/46/12/65/669461265.db2.gz CWKWSEFLBNLRAV-SNVBAGLBSA-N -1 1 359.308 0.364 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCOC[C@H]3CC(F)F)ccnc1-2 ZINC000807384114 669484683 /nfs/dbraw/zinc/48/46/83/669484683.db2.gz YBFOMRFCZNTGEA-SECBINFHSA-N -1 1 353.329 0.163 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)c1ccnn1C ZINC000828132684 669618960 /nfs/dbraw/zinc/61/89/60/669618960.db2.gz MXRHNOSPMRMCBG-CABCVRRESA-N -1 1 367.427 0.941 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(OC)cc1)c1ccnn1C ZINC000828133165 669618986 /nfs/dbraw/zinc/61/89/86/669618986.db2.gz UQQRXEBZRGTBQP-HNNXBMFYSA-N -1 1 367.427 0.805 10 0 FCAEMM CCn1cnc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810088051 669662752 /nfs/dbraw/zinc/66/27/52/669662752.db2.gz FLHPOKDFWYSAHL-SNVBAGLBSA-N -1 1 368.381 0.982 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088206 669663166 /nfs/dbraw/zinc/66/31/66/669663166.db2.gz HFKZSBISRZPDGD-HBNTYKKESA-N -1 1 358.382 0.884 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCCC2 ZINC000811143838 669735325 /nfs/dbraw/zinc/73/53/25/669735325.db2.gz GSNSBPRSZAZBGF-UHFFFAOYSA-N -1 1 357.432 0.937 10 0 FCAEMM Cc1nc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(=O)[nH]c1C ZINC000812279091 669794442 /nfs/dbraw/zinc/79/44/42/669794442.db2.gz LVFQKIMNVCIYKR-JTQLQIEISA-N -1 1 360.336 0.917 10 0 FCAEMM Cn1cc(C[C@H](O)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000812277119 669794485 /nfs/dbraw/zinc/79/44/85/669794485.db2.gz ROBGOEBKOUMMCM-JQWIXIFHSA-N -1 1 362.352 0.241 10 0 FCAEMM C[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000813634793 669845769 /nfs/dbraw/zinc/84/57/69/669845769.db2.gz DQJLUYIHMGJFIE-ACZMJKKPSA-N -1 1 363.296 0.200 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)c1C(F)(F)F ZINC000867072126 669848331 /nfs/dbraw/zinc/84/83/31/669848331.db2.gz VQVSOYFFFNTWJX-QMMMGPOBSA-N -1 1 366.365 0.728 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)OCc1ccccc1 ZINC000831622906 669859062 /nfs/dbraw/zinc/85/90/62/669859062.db2.gz JJTZBJMFLNZIGM-CABZTGNLSA-N -1 1 373.818 0.834 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)c(C(F)(F)F)n1 ZINC000815031484 669896446 /nfs/dbraw/zinc/89/64/46/669896446.db2.gz VGNWNKFYJSROQW-SECBINFHSA-N -1 1 350.322 0.846 10 0 FCAEMM COC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000832615977 669913978 /nfs/dbraw/zinc/91/39/78/669913978.db2.gz LWROCTCCXHZNJR-UHFFFAOYSA-N -1 1 368.770 0.900 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1SC ZINC000834326368 669946401 /nfs/dbraw/zinc/94/64/01/669946401.db2.gz JEFDFOWRCMSPNR-UPJWGTAASA-N -1 1 363.443 0.306 10 0 FCAEMM CCCN1C(=O)CC[C@@H](C(=O)[N-]OCC(C)(C)O)[C@@H]1c1cncn1C ZINC000834621987 669967074 /nfs/dbraw/zinc/96/70/74/669967074.db2.gz OCGKSHNXXWOTSX-IUODEOHRSA-N -1 1 352.435 0.929 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COC(=O)C2)c(F)cc1Cl ZINC000867288020 670648926 /nfs/dbraw/zinc/64/89/26/670648926.db2.gz NBBZQQQENIMLDM-LURJTMIESA-N -1 1 351.739 0.860 10 0 FCAEMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(C)C ZINC000867305898 670742473 /nfs/dbraw/zinc/74/24/73/670742473.db2.gz YHLPHAVMUGTLKW-VIFPVBQESA-N -1 1 356.370 0.878 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2nn(C)c3c2CCCC3)CCC1 ZINC000843014606 670766794 /nfs/dbraw/zinc/76/67/94/670766794.db2.gz PANMTGTXNHQTPF-UHFFFAOYSA-N -1 1 354.476 0.843 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnn2CC(F)(F)F)CCC1 ZINC000843015199 670766854 /nfs/dbraw/zinc/76/68/54/670766854.db2.gz RKCCWTMCJJWBAF-UHFFFAOYSA-N -1 1 368.381 0.989 10 0 FCAEMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015684 670767370 /nfs/dbraw/zinc/76/73/70/670767370.db2.gz VCIJFWZJGFQBTC-RYUDHWBXSA-N -1 1 363.480 0.687 10 0 FCAEMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)N1CCCC1=O ZINC000843017344 670767483 /nfs/dbraw/zinc/76/74/83/670767483.db2.gz BMFJTUUSMCLCAA-AWEZNQCLSA-N -1 1 359.492 0.564 10 0 FCAEMM COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843017018 670767526 /nfs/dbraw/zinc/76/75/26/670767526.db2.gz YJMIBUDFSGOBLT-QWHCGFSZSA-N -1 1 360.476 0.896 10 0 FCAEMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)N1CCCC1=O ZINC000843017347 670767551 /nfs/dbraw/zinc/76/75/51/670767551.db2.gz BMFJTUUSMCLCAA-CQSZACIVSA-N -1 1 359.492 0.564 10 0 FCAEMM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017857 670767793 /nfs/dbraw/zinc/76/77/93/670767793.db2.gz CMEMZZSANISYLX-ZDUSSCGKSA-N -1 1 359.492 0.708 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CN(C)C(=O)c2cccs2)CCC1 ZINC000843019148 670768588 /nfs/dbraw/zinc/76/85/88/670768588.db2.gz LSCVHTIFDQBDRR-UHFFFAOYSA-N -1 1 373.500 0.750 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(NC(N)=O)c2)CCC1 ZINC000843018949 670768784 /nfs/dbraw/zinc/76/87/84/670768784.db2.gz HQWPJVXIRIIWTR-UHFFFAOYSA-N -1 1 354.432 0.721 10 0 FCAEMM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1C ZINC000843019768 670769319 /nfs/dbraw/zinc/76/93/19/670769319.db2.gz VUHKLLDBZAIUCN-UHFFFAOYSA-N -1 1 361.489 0.457 10 0 FCAEMM CN(CCN1CCCS1(=O)=O)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000843969686 670874219 /nfs/dbraw/zinc/87/42/19/670874219.db2.gz UDKWPTBXFVBREQ-UHFFFAOYSA-N -1 1 355.445 0.126 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1 ZINC000867345114 670892439 /nfs/dbraw/zinc/89/24/39/670892439.db2.gz XAJHSXBGDFJUPT-YBYGRFCBSA-N -1 1 351.416 0.965 10 0 FCAEMM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000867427906 671121840 /nfs/dbraw/zinc/12/18/40/671121840.db2.gz BXRFKGYGLWUAKO-UHFFFAOYSA-N -1 1 354.400 0.681 10 0 FCAEMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC000867428852 671125119 /nfs/dbraw/zinc/12/51/19/671125119.db2.gz QJXNIHFSRCQYTM-UHFFFAOYSA-N -1 1 352.342 0.837 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCC1 ZINC000849231354 671323397 /nfs/dbraw/zinc/32/33/97/671323397.db2.gz CAFLTFMHVVZIDG-VHSXEESVSA-N -1 1 372.365 0.712 10 0 FCAEMM CC1(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC000849232472 671323827 /nfs/dbraw/zinc/32/38/27/671323827.db2.gz NIFOSMOBYZHXFA-JGVFFNPUSA-N -1 1 358.338 0.465 10 0 FCAEMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCNC2=O)c(F)cc1Cl ZINC000849409866 671339386 /nfs/dbraw/zinc/33/93/86/671339386.db2.gz GAHXAQBIMAUTAI-JTQLQIEISA-N -1 1 364.782 0.823 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000851502703 671445552 /nfs/dbraw/zinc/44/55/52/671445552.db2.gz RHYMGRAMZAEDNK-UHFFFAOYSA-N -1 1 354.388 0.193 10 0 FCAEMM C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852398055 671505225 /nfs/dbraw/zinc/50/52/25/671505225.db2.gz SIPMXNSPKWPPQU-IMSYWVGJSA-N -1 1 350.341 0.349 10 0 FCAEMM O=C(NCCS(=O)(=O)CC(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000853833321 671558771 /nfs/dbraw/zinc/55/87/71/671558771.db2.gz NMDAVVQQRZVKSA-UHFFFAOYSA-N -1 1 363.317 0.630 10 0 FCAEMM C[C@@H](COc1c(F)cccc1F)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000855634778 671656668 /nfs/dbraw/zinc/65/66/68/671656668.db2.gz SAUNIVWSHJIYLR-JTQLQIEISA-N -1 1 353.325 0.789 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO ZINC000855748274 671662941 /nfs/dbraw/zinc/66/29/41/671662941.db2.gz HONBEMCYDHNXRI-PSASIEDQSA-N -1 1 354.325 0.359 10 0 FCAEMM C[C@@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000855748768 671662962 /nfs/dbraw/zinc/66/29/62/671662962.db2.gz PYSPBFDUWQCNKC-UTLUCORTSA-N -1 1 368.352 0.747 10 0 FCAEMM CO[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000856414279 671687130 /nfs/dbraw/zinc/68/71/30/671687130.db2.gz FNLQUBXNIRIJBP-NOOOWODRSA-N -1 1 352.353 0.953 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@H](O)C2CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856418397 671687768 /nfs/dbraw/zinc/68/77/68/671687768.db2.gz IEVHHCYGYVYAKE-ADEWGFFLSA-N -1 1 352.353 0.689 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](OC)C(F)(F)F)on1 ZINC000858981096 671787250 /nfs/dbraw/zinc/78/72/50/671787250.db2.gz AJYBEFXPFRVVHL-SECBINFHSA-N -1 1 360.310 0.848 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(=O)N(C)C ZINC000859053685 671790919 /nfs/dbraw/zinc/79/09/19/671790919.db2.gz LPCBXNDEEPIJCB-ZCFIWIBFSA-N -1 1 354.201 0.738 10 0 FCAEMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859148034 671796470 /nfs/dbraw/zinc/79/64/70/671796470.db2.gz OALFQXAETSENCO-RCOVLWMOSA-N -1 1 366.212 0.786 10 0 FCAEMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859180337 671798382 /nfs/dbraw/zinc/79/83/82/671798382.db2.gz YMSCOBFMOSJGGV-ZCFIWIBFSA-N -1 1 354.201 0.786 10 0 FCAEMM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)nc2F)CN1 ZINC000859190331 671799218 /nfs/dbraw/zinc/79/92/18/671799218.db2.gz JTADIEAJPUFBRG-ZCFIWIBFSA-N -1 1 352.185 0.398 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CC)C(OC)OC)on1 ZINC000859215127 671801325 /nfs/dbraw/zinc/80/13/25/671801325.db2.gz ZSQODAODVGOIAU-SNVBAGLBSA-N -1 1 350.393 0.668 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Br)nc1F ZINC000859286683 671810156 /nfs/dbraw/zinc/81/01/56/671810156.db2.gz IWEFWHTZDSJTSA-SFYZADRCSA-N -1 1 369.212 0.801 10 0 FCAEMM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859335436 671816183 /nfs/dbraw/zinc/81/61/83/671816183.db2.gz XQOTUXWYCKVWAZ-MRVPVSSYSA-N -1 1 368.228 0.592 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000860350117 671882001 /nfs/dbraw/zinc/88/20/01/671882001.db2.gz WDURZVIIFAWPHP-OAQKJQOQSA-N -1 1 351.388 0.616 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)CCO1 ZINC000863286085 672109453 /nfs/dbraw/zinc/10/94/53/672109453.db2.gz CMZZIZPOAKBWOF-LLVKDONJSA-N -1 1 363.447 0.590 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCN1CCN(c2ccccc2)CC1 ZINC000866472628 672276163 /nfs/dbraw/zinc/27/61/63/672276163.db2.gz CAERXJLQWFWCIJ-HSZRJFAPSA-N -1 1 374.532 0.761 10 0 FCAEMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867459633 672319763 /nfs/dbraw/zinc/31/97/63/672319763.db2.gz WEKHHZPTZMUTGF-ZCFIWIBFSA-N -1 1 358.189 0.362 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000867485368 672323633 /nfs/dbraw/zinc/32/36/33/672323633.db2.gz SOYFGECVDHWOHG-UPJWGTAASA-N -1 1 355.526 0.826 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CCOC1 ZINC000867497519 672326530 /nfs/dbraw/zinc/32/65/30/672326530.db2.gz RBMVPTSRNFKOHU-IUCAKERBSA-N -1 1 357.354 0.769 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)sn1 ZINC000867508976 672328177 /nfs/dbraw/zinc/32/81/77/672328177.db2.gz HKDWCAFHLQGVBK-UHFFFAOYSA-N -1 1 352.381 0.707 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCN1C[C@@H]2CCCCN2C1=O ZINC000867530018 672332046 /nfs/dbraw/zinc/33/20/46/672332046.db2.gz RCKIGYYXSYJZHR-LBPRGKRZSA-N -1 1 366.509 0.619 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000867762498 672364555 /nfs/dbraw/zinc/36/45/55/672364555.db2.gz DVSTUGQSNVPABM-NXEZZACHSA-N -1 1 357.375 0.646 10 0 FCAEMM CNS(=O)(=O)CC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161724 672474294 /nfs/dbraw/zinc/47/42/94/672474294.db2.gz USYXTQKGQYTACH-UHFFFAOYSA-N -1 1 361.851 0.239 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000871210787 672536326 /nfs/dbraw/zinc/53/63/26/672536326.db2.gz AAZUZIKSMDIVPF-LBPRGKRZSA-N -1 1 367.368 0.557 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)CCOC1 ZINC000886096698 673557858 /nfs/dbraw/zinc/55/78/58/673557858.db2.gz JPZHMBCFJQCPPD-QGZVFWFLSA-N -1 1 354.353 0.895 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CNOC2)c1F ZINC000923726302 673738770 /nfs/dbraw/zinc/73/87/70/673738770.db2.gz WZPVJISXPWZUPK-ZCFIWIBFSA-N -1 1 355.185 0.779 10 0 FCAEMM CN1C[C@H](CCNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000924758903 673763262 /nfs/dbraw/zinc/76/32/62/673763262.db2.gz AOJVSHQQWVVBMB-SECBINFHSA-N -1 1 350.341 0.175 10 0 FCAEMM CO[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)[C@@](C)(C(=O)[O-])C1 ZINC000929063266 673937717 /nfs/dbraw/zinc/93/77/17/673937717.db2.gz JJQXULRYCYHLNB-RSUWNVLCSA-N -1 1 357.476 0.840 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@H](F)C(C)C)[C@H]1C ZINC001719636382 1171144204 /nfs/dbraw/zinc/14/42/04/1171144204.db2.gz LNNPGODHNVEBAL-KXUCPTDWSA-N -1 1 370.381 0.610 10 0 FCAEMM COCCCOCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001719644336 1171604153 /nfs/dbraw/zinc/60/41/53/1171604153.db2.gz YWFUXMAMVOSXFX-KGLIPLIRSA-N -1 1 365.430 0.950 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1C ZINC001719647476 1171876314 /nfs/dbraw/zinc/87/63/14/1171876314.db2.gz UYZFSMUIYYZYKI-MXWKQRLJSA-N -1 1 366.418 0.908 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)CCCF)C[C@H]1C ZINC001719723712 1179785297 /nfs/dbraw/zinc/78/52/97/1179785297.db2.gz MCDPOEJVOHDCTK-NXEZZACHSA-N -1 1 370.381 0.470 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1ccn(C)n1 ZINC001719755552 1179889818 /nfs/dbraw/zinc/88/98/18/1179889818.db2.gz HTNOTANXRYJPBT-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)CCC1 ZINC001719846275 1186330606 /nfs/dbraw/zinc/33/06/06/1186330606.db2.gz UFYYBIJDABQNFA-RDBSUJKOSA-N -1 1 374.441 0.365 10 0 FCAEMM CCOC[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001687390923 1188352471 /nfs/dbraw/zinc/35/24/71/1188352471.db2.gz NBSGYNMOIBULQG-LLVKDONJSA-N -1 1 352.391 0.202 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](CO)c1ccccc1 ZINC001687391291 1188352796 /nfs/dbraw/zinc/35/27/96/1188352796.db2.gz YALGDODVUYQHGU-ZDUSSCGKSA-N -1 1 358.398 0.830 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000912179547 1196332951 /nfs/dbraw/zinc/33/29/51/1196332951.db2.gz LYACIDCSTZJXQC-DLBZAZTESA-N -1 1 371.437 0.911 10 0 FCAEMM COC(=O)c1cccc2c1CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CC2 ZINC000592888245 1196583942 /nfs/dbraw/zinc/58/39/42/1196583942.db2.gz NVZVOBXAFMKPAB-UHFFFAOYSA-N -1 1 359.338 0.882 10 0 FCAEMM COc1cccc(N2CCC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)C2)c1 ZINC000735276265 1197841244 /nfs/dbraw/zinc/84/12/44/1197841244.db2.gz VFIWSODRJYOEMR-AWEZNQCLSA-N -1 1 372.425 0.721 10 0 FCAEMM O=C(N[C@@H](Cc1cccnc1)C(=O)NN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000743290994 1198260675 /nfs/dbraw/zinc/26/06/75/1198260675.db2.gz PVTBLCARXYEUNP-AWEZNQCLSA-N -1 1 367.365 0.006 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)C[C@H]1COCC2 ZINC000806491030 1202742036 /nfs/dbraw/zinc/74/20/36/1202742036.db2.gz BOQWYGWACFICEI-APPDUMDISA-N -1 1 359.386 0.385 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3C[C@@H](C)[C@H](C(=O)OC)O3)nc2n1 ZINC001131778394 1202933036 /nfs/dbraw/zinc/93/30/36/1202933036.db2.gz LRXVVJTWINCOEK-HLUHBDAQSA-N -1 1 363.374 0.275 10 0 FCAEMM COC(=O)c1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc2[nH]ccc21 ZINC000813864738 1203006063 /nfs/dbraw/zinc/00/60/63/1203006063.db2.gz AOQYTQDABODBTJ-UHFFFAOYSA-N -1 1 356.338 0.833 10 0 FCAEMM C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000819682369 1203167764 /nfs/dbraw/zinc/16/77/64/1203167764.db2.gz YPNOGAFTVBSIFF-OCCSQVGLSA-N -1 1 365.430 0.896 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)n[n-]1 ZINC001146855652 1204746966 /nfs/dbraw/zinc/74/69/66/1204746966.db2.gz LTJVUSBGUCQZKC-SECBINFHSA-N -1 1 362.390 0.993 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)[n-]1 ZINC001146855652 1204746968 /nfs/dbraw/zinc/74/69/68/1204746968.db2.gz LTJVUSBGUCQZKC-SECBINFHSA-N -1 1 362.390 0.993 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC001146855652 1204746971 /nfs/dbraw/zinc/74/69/71/1204746971.db2.gz LTJVUSBGUCQZKC-SECBINFHSA-N -1 1 362.390 0.993 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C(=O)NCCCc2ccccc2)n[n-]1 ZINC001146857223 1204747289 /nfs/dbraw/zinc/74/72/89/1204747289.db2.gz XMSMITFDRZADSI-LBPRGKRZSA-N -1 1 373.413 0.908 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C(=O)NCCCc2ccccc2)[n-]1 ZINC001146857223 1204747297 /nfs/dbraw/zinc/74/72/97/1204747297.db2.gz XMSMITFDRZADSI-LBPRGKRZSA-N -1 1 373.413 0.908 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC001146857223 1204747303 /nfs/dbraw/zinc/74/73/03/1204747303.db2.gz XMSMITFDRZADSI-LBPRGKRZSA-N -1 1 373.413 0.908 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ncccc1[O-] ZINC001147641376 1204802579 /nfs/dbraw/zinc/80/25/79/1204802579.db2.gz JIRNPNSZHFKGOC-QGZVFWFLSA-N -1 1 367.402 0.515 10 0 FCAEMM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001177476493 1206339979 /nfs/dbraw/zinc/33/99/79/1206339979.db2.gz SYGJZJFXKLYVHN-NEPJUHHUSA-N -1 1 365.386 0.134 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574190 1206343393 /nfs/dbraw/zinc/34/33/93/1206343393.db2.gz UHXKOXYCRAVKJC-JTQLQIEISA-N -1 1 361.358 0.656 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574190 1206343396 /nfs/dbraw/zinc/34/33/96/1206343396.db2.gz UHXKOXYCRAVKJC-JTQLQIEISA-N -1 1 361.358 0.656 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574190 1206343398 /nfs/dbraw/zinc/34/33/98/1206343398.db2.gz UHXKOXYCRAVKJC-JTQLQIEISA-N -1 1 361.358 0.656 10 0 FCAEMM COc1cc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)ccc1OCC(N)=O ZINC001177866762 1206347738 /nfs/dbraw/zinc/34/77/38/1206347738.db2.gz QXPYACRVBFOCMV-NSHDSACASA-N -1 1 374.401 0.167 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOc2ccccc2[C@@H]1CO ZINC001178768583 1206364947 /nfs/dbraw/zinc/36/49/47/1206364947.db2.gz AVFGHEGOFVWJEW-ZDUSSCGKSA-N -1 1 357.366 0.472 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1COc2c(F)cc(F)cc2C1 ZINC001180579099 1206396223 /nfs/dbraw/zinc/39/62/23/1206396223.db2.gz PISDAVDUOVRASS-NSHDSACASA-N -1 1 363.320 0.915 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774919003 1206485185 /nfs/dbraw/zinc/48/51/85/1206485185.db2.gz OVCNDGZHJHUQFU-UHFFFAOYSA-N -1 1 373.287 0.714 10 0 FCAEMM Cc1ccn(C[C@@H](C)C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)n1 ZINC001489268736 1208707309 /nfs/dbraw/zinc/70/73/09/1208707309.db2.gz QYKSURNODCFKCE-BNOWGMLFSA-N -1 1 361.450 0.029 10 0 FCAEMM COC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001489542228 1208902101 /nfs/dbraw/zinc/90/21/01/1208902101.db2.gz BBDAFILVRPTPSW-YRGRVCCFSA-N -1 1 351.403 0.415 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)COc2cccnc2)CCN1C(=O)c1ncccc1[O-] ZINC001490110732 1209236738 /nfs/dbraw/zinc/23/67/38/1209236738.db2.gz DKCGMZKUVMNNOR-OCCSQVGLSA-N -1 1 356.382 0.980 10 0 FCAEMM CC(C)=C(F)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001490111553 1209237786 /nfs/dbraw/zinc/23/77/86/1209237786.db2.gz BXEIFHQTPQBJQX-NEPJUHHUSA-N -1 1 366.393 0.296 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[N-]N2CN=NC2=O)C1 ZINC000857172736 1209744793 /nfs/dbraw/zinc/74/47/93/1209744793.db2.gz ZORCYRFPWSPUIJ-SECBINFHSA-N -1 1 363.378 0.815 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000859277772 1209815181 /nfs/dbraw/zinc/81/51/81/1209815181.db2.gz AYIAVHVNFUUCDL-RYUDHWBXSA-N -1 1 364.406 0.713 10 0 FCAEMM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859277788 1209815216 /nfs/dbraw/zinc/81/52/16/1209815216.db2.gz BHVGQZLVRVHXNC-DTWKUNHWSA-N -1 1 371.323 0.893 10 0 FCAEMM COc1ccc(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1OC(F)F ZINC000859279153 1209815227 /nfs/dbraw/zinc/81/52/27/1209815227.db2.gz ZOFUEKXCAXRIKG-LBPRGKRZSA-N -1 1 369.328 0.952 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC000860349649 1209845943 /nfs/dbraw/zinc/84/59/43/1209845943.db2.gz PSUDLRDSMUFFJC-QMMMGPOBSA-N -1 1 372.307 0.991 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000861821772 1209884552 /nfs/dbraw/zinc/88/45/52/1209884552.db2.gz ZBAUYHYYODJVFL-JTQLQIEISA-N -1 1 367.406 0.830 10 0 FCAEMM O=C(Cn1cnnn1)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314132 1210139577 /nfs/dbraw/zinc/13/95/77/1210139577.db2.gz HKHMGDNIEONQBE-JTQLQIEISA-N -1 1 368.319 0.872 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001137227602 1210827216 /nfs/dbraw/zinc/82/72/16/1210827216.db2.gz GPJMVMXJIVHSDA-GFCCVEGCSA-N -1 1 365.386 0.086 10 0 FCAEMM CN(C[C@H](O)CN1CCOCC1)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900984928 1218066180 /nfs/dbraw/zinc/06/61/80/1218066180.db2.gz QXDPNSLPNABROD-LBPRGKRZSA-N -1 1 363.389 0.845 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000801421422 1218114234 /nfs/dbraw/zinc/11/42/34/1218114234.db2.gz VKHVMRWIRMJKEV-LLVKDONJSA-N -1 1 365.340 0.983 10 0 FCAEMM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC000802321575 1218230409 /nfs/dbraw/zinc/23/04/09/1218230409.db2.gz CPUHHGGHQSGJTL-AGUYFDCRSA-N -1 1 357.414 0.597 10 0 FCAEMM O=C(c1c(C(F)(F)F)nc2n1CCCC2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826834556 1218907711 /nfs/dbraw/zinc/90/77/11/1218907711.db2.gz UAHYRIOWUFPFCV-MRVPVSSYSA-N -1 1 371.323 0.965 10 0 FCAEMM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826834575 1218908543 /nfs/dbraw/zinc/90/85/43/1218908543.db2.gz UIKGIXVWBRYITM-ZDUSSCGKSA-N -1 1 355.358 0.804 10 0 FCAEMM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826834574 1218908734 /nfs/dbraw/zinc/90/87/34/1218908734.db2.gz UIKGIXVWBRYITM-CYBMUJFWSA-N -1 1 355.358 0.804 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCN(c2ncccc2F)C1 ZINC001137329174 1218993423 /nfs/dbraw/zinc/99/34/23/1218993423.db2.gz UQZGERKKOGACQB-NSHDSACASA-N -1 1 359.361 0.446 10 0 FCAEMM COc1cc(CC2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)cc(OC)c1 ZINC000754379301 1220109897 /nfs/dbraw/zinc/10/98/97/1220109897.db2.gz UJFHCAHSUWMIEQ-UHFFFAOYSA-N -1 1 373.409 0.645 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N(CC(=O)[O-])C3CC3)cn2)CC1 ZINC000780432827 1221024698 /nfs/dbraw/zinc/02/46/98/1221024698.db2.gz PKOAWFXHHQDYFT-UHFFFAOYSA-N -1 1 361.446 0.982 10 0 FCAEMM O=C(CCc1ccc2c(c1)OCCO2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148089 1221280363 /nfs/dbraw/zinc/28/03/63/1221280363.db2.gz MHUSSYWTWXGSDY-UHFFFAOYSA-N -1 1 359.386 0.414 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCC(=O)NC1=O ZINC001116326057 1221353331 /nfs/dbraw/zinc/35/33/31/1221353331.db2.gz RPCZZYKCYHBRIV-ZDUSSCGKSA-N -1 1 369.381 0.407 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCOC[C@H]1C ZINC001116773774 1221389697 /nfs/dbraw/zinc/38/96/97/1221389697.db2.gz QMUFBROTSKHYKS-DOMZBBRYSA-N -1 1 364.446 0.801 10 0 FCAEMM CCc1cc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n[nH]1 ZINC000843255994 1222866118 /nfs/dbraw/zinc/86/61/18/1222866118.db2.gz BBMQNFIAXCNSKG-CVEARBPZSA-N -1 1 370.409 0.915 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)n[n-]1 ZINC001166126623 1223267864 /nfs/dbraw/zinc/26/78/64/1223267864.db2.gz MEZGHOAVLASIOB-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)[n-]1 ZINC001166126623 1223267866 /nfs/dbraw/zinc/26/78/66/1223267866.db2.gz MEZGHOAVLASIOB-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)n1 ZINC001166126623 1223267869 /nfs/dbraw/zinc/26/78/69/1223267869.db2.gz MEZGHOAVLASIOB-BXKDBHETSA-N -1 1 358.358 0.747 10 0 FCAEMM COCCCn1nc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1=O ZINC000849853300 1245417609 /nfs/dbraw/zinc/41/76/09/1245417609.db2.gz VVBGDVMIRCCSSY-UHFFFAOYSA-N -1 1 373.365 0.393 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000922455068 1245678757 /nfs/dbraw/zinc/67/87/57/1245678757.db2.gz BRUIPEKUEFNERC-YVEFUNNKSA-N -1 1 357.414 0.721 10 0 FCAEMM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001328445146 1265551211 /nfs/dbraw/zinc/55/12/11/1265551211.db2.gz NZDITRZZGQAJHB-GFCCVEGCSA-N -1 1 373.409 0.460 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001519976278 1265816601 /nfs/dbraw/zinc/81/66/01/1265816601.db2.gz VCLKRCNUKKOVTH-JFGNBEQYSA-N -1 1 364.381 0.275 10 0 FCAEMM CCNC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001520913750 1266036723 /nfs/dbraw/zinc/03/67/23/1266036723.db2.gz IKXBFGNCOBYZME-OLZOCXBDSA-N -1 1 362.430 0.813 10 0 FCAEMM Cc1ccc(NC(=O)C2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)nc1 ZINC001330580841 1266064192 /nfs/dbraw/zinc/06/41/92/1266064192.db2.gz BKHCMGQGLPJQKQ-CQSZACIVSA-N -1 1 360.414 0.726 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001235546444 1259576395 /nfs/dbraw/zinc/57/63/95/1259576395.db2.gz SBOROTWUYODRRB-GOEBONIOSA-N -1 1 356.382 0.712 10 0 FCAEMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC001335531039 1259700811 /nfs/dbraw/zinc/70/08/11/1259700811.db2.gz QQEMUXOBPDDWHC-WMLDXEAASA-N -1 1 366.439 0.758 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3cccnc3)n2)co1 ZINC001335768312 1259830214 /nfs/dbraw/zinc/83/02/14/1259830214.db2.gz NWRJNNNKTFMVLD-UHFFFAOYSA-N -1 1 362.371 0.475 10 0 FCAEMM CC(C)c1noc(CCC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331883095 1266299157 /nfs/dbraw/zinc/29/91/57/1266299157.db2.gz LFALMQAAURYMAH-KRWDZBQOSA-N -1 1 366.418 0.514 10 0 FCAEMM COc1cc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ccc1O ZINC001332147815 1266343836 /nfs/dbraw/zinc/34/38/36/1266343836.db2.gz IKQGEOHTBDXSNE-GOSISDBHSA-N -1 1 364.398 0.331 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)(F)F)CC2)o1 ZINC001472128474 1261442616 /nfs/dbraw/zinc/44/26/16/1261442616.db2.gz HCAPJEWXIQBEOD-UHFFFAOYSA-N -1 1 351.375 0.601 10 0 FCAEMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001285219828 1261820372 /nfs/dbraw/zinc/82/03/72/1261820372.db2.gz AWYILTPATIXUCP-JHJVBQTASA-N -1 1 357.414 0.807 10 0 FCAEMM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1CCCC1 ZINC001289702956 1262316063 /nfs/dbraw/zinc/31/60/63/1262316063.db2.gz NCMPANVGSQFDSE-INWMFGNUSA-N -1 1 363.414 0.294 10 0 FCAEMM O=C(CNC(=O)C1CC1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001290097987 1262378635 /nfs/dbraw/zinc/37/86/35/1262378635.db2.gz GEEXSWCYNJKRLZ-WCQYABFASA-N -1 1 360.414 0.328 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001290614139 1262476494 /nfs/dbraw/zinc/47/64/94/1262476494.db2.gz GSHKZUSPPFUXET-XJUJAYADSA-N -1 1 358.402 0.493 10 0 FCAEMM Cc1noc(CCNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC001292194603 1262664170 /nfs/dbraw/zinc/66/41/70/1262664170.db2.gz KGWGNMFJHJFEKM-UHFFFAOYSA-N -1 1 354.370 0.733 10 0 FCAEMM CCOC(=O)CN1CCCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001294387957 1262732643 /nfs/dbraw/zinc/73/26/43/1262732643.db2.gz UDXJWVOISYVAIT-UHFFFAOYSA-N -1 1 354.432 0.615 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001295592320 1262772563 /nfs/dbraw/zinc/77/25/63/1262772563.db2.gz RGFKRYBPXAUOCY-RSNWOKGLSA-N -1 1 362.430 0.885 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001296446492 1262812017 /nfs/dbraw/zinc/81/20/17/1262812017.db2.gz KIFNBORQMQSREA-HZSPNIEDSA-N -1 1 362.430 0.080 10 0 FCAEMM COc1nn(C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001297270624 1262858718 /nfs/dbraw/zinc/85/87/18/1262858718.db2.gz FGMQEHICHZAHTD-UHFFFAOYSA-N -1 1 359.317 0.868 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](CC)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001297486038 1262872004 /nfs/dbraw/zinc/87/20/04/1262872004.db2.gz YKPMUAGKANPXMQ-IJLUTSLNSA-N -1 1 360.418 0.478 10 0 FCAEMM Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001297826675 1262894547 /nfs/dbraw/zinc/89/45/47/1262894547.db2.gz QVPGLABWWYYIEZ-UHFFFAOYSA-N -1 1 373.291 0.815 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)COCc2ccc(OC)nc2)n[n-]1 ZINC001300607186 1262992380 /nfs/dbraw/zinc/99/23/80/1262992380.db2.gz BLAHTYHATPEBJL-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)COCc2ccc(OC)nc2)[n-]1 ZINC001300607186 1262992385 /nfs/dbraw/zinc/99/23/85/1262992385.db2.gz BLAHTYHATPEBJL-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)COCc2ccc(OC)nc2)n1 ZINC001300607186 1262992391 /nfs/dbraw/zinc/99/23/91/1262992391.db2.gz BLAHTYHATPEBJL-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM COc1ccc(-n2cc(C(=O)N3CCC(c4nn[n-]n4)CC3)nn2)cc1 ZINC001302752781 1263056873 /nfs/dbraw/zinc/05/68/73/1263056873.db2.gz FPCGQAFJOKZVBK-UHFFFAOYSA-N -1 1 354.374 0.809 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001302842004 1263061098 /nfs/dbraw/zinc/06/10/98/1263061098.db2.gz FVMXIMCOPLRMNW-GFCCVEGCSA-N -1 1 372.381 0.748 10 0 FCAEMM COC1([C@H](C)NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOCC1 ZINC001478844212 1263148589 /nfs/dbraw/zinc/14/85/89/1263148589.db2.gz MLSRZGWQBUHLFF-NSHDSACASA-N -1 1 366.418 0.638 10 0 FCAEMM CC(C)COC[C@@H](O)CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155707 1263172800 /nfs/dbraw/zinc/17/28/00/1263172800.db2.gz CNMHWLOXLLUGQX-NSHDSACASA-N -1 1 354.407 0.088 10 0 FCAEMM CCOC(=O)C[C@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156709 1263173021 /nfs/dbraw/zinc/17/30/21/1263173021.db2.gz KXTAFWVIGSNDPX-LLVKDONJSA-N -1 1 364.402 0.882 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001479158223 1263173914 /nfs/dbraw/zinc/17/39/14/1263173914.db2.gz ROTGLFDRXRTGAZ-LLVKDONJSA-N -1 1 364.402 0.740 10 0 FCAEMM COCCC[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001479175092 1263175056 /nfs/dbraw/zinc/17/50/56/1263175056.db2.gz CWZNCWCYENUEBN-MGPQQGTHSA-N -1 1 351.451 0.204 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC2CC(CC(N)=O)C2)C1 ZINC001479285651 1263181649 /nfs/dbraw/zinc/18/16/49/1263181649.db2.gz AVFMNXLRLKHFIZ-KJHLLKJSSA-N -1 1 350.341 0.493 10 0 FCAEMM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCNC(=O)NC(C)(C)C)[C@@H]2C)c1[O-] ZINC001479704703 1263356933 /nfs/dbraw/zinc/35/69/33/1263356933.db2.gz ZUWCOYJRPJTHNF-NEPJUHHUSA-N -1 1 366.466 0.714 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1 ZINC001487038350 1263576732 /nfs/dbraw/zinc/57/67/32/1263576732.db2.gz MHQOWKGMBKINOT-DOMZBBRYSA-N -1 1 363.414 0.296 10 0 FCAEMM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001320981414 1263890768 /nfs/dbraw/zinc/89/07/68/1263890768.db2.gz LDGRFBMZPQKPBV-SCLBCKFNSA-N -1 1 357.366 0.229 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H](N2CC[C@H](CC(N)=O)C2)C1=O ZINC001322874643 1264286107 /nfs/dbraw/zinc/28/61/07/1264286107.db2.gz ANHKFNPPRRERLX-BXUZGUMPSA-N -1 1 359.382 0.522 10 0 FCAEMM C[C@@H](CN(C)C(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001510663960 1264507537 /nfs/dbraw/zinc/50/75/37/1264507537.db2.gz NMEXYBYHBDWRQT-VEVIJQCQSA-N -1 1 362.430 0.080 10 0 FCAEMM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cnc(C2CC2)[n-]c1=O ZINC001511052050 1264536390 /nfs/dbraw/zinc/53/63/90/1264536390.db2.gz DFWQASPLQROVKC-SEDUGSJDSA-N -1 1 360.414 0.457 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCn3cnc4ccccc4c3=O)nc2n1 ZINC001324729848 1264689103 /nfs/dbraw/zinc/68/91/03/1264689103.db2.gz DBXBMIBLTLMTIN-UHFFFAOYSA-N -1 1 365.353 0.465 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](N[C@H]2CCC(=O)N(C)C2)C1=O ZINC001326938712 1265203885 /nfs/dbraw/zinc/20/38/85/1265203885.db2.gz WAHDLDGLVHTLJQ-STQMWFEESA-N -1 1 359.382 0.536 10 0 FCAEMM COCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001327159256 1265243402 /nfs/dbraw/zinc/24/34/02/1265243402.db2.gz IDQAHLYRDBBLCX-ZOBORPQBSA-N -1 1 369.462 0.075 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001522253100 1266442607 /nfs/dbraw/zinc/44/26/07/1266442607.db2.gz WJHCTCKUWZDUAS-SWQHNVKFSA-N -1 1 356.386 0.246 10 0 FCAEMM CN1CCN(C)[C@H](CNC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])C1 ZINC001333318064 1266578141 /nfs/dbraw/zinc/57/81/41/1266578141.db2.gz PJPKQDMDBJCZKY-CRAIPNDOSA-N -1 1 366.437 0.757 10 0 FCAEMM CO[C@H]1CN(C(=O)C2CCC(N3CCOCC3)CC2)[C@](C)(C(=O)[O-])C1 ZINC001334204729 1266881717 /nfs/dbraw/zinc/88/17/17/1266881717.db2.gz FDKXFFGLGCPHSH-HNFMNYKYSA-N -1 1 354.447 0.968 10 0 FCAEMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)c1nn[nH]n1 ZINC001528749199 1266994074 /nfs/dbraw/zinc/99/40/74/1266994074.db2.gz MPVGDFBPYXKPCO-UHFFFAOYSA-N -1 1 374.220 0.951 10 0 FCAEMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(C)c1nn[n-]n1 ZINC001528749199 1266994078 /nfs/dbraw/zinc/99/40/78/1266994078.db2.gz MPVGDFBPYXKPCO-UHFFFAOYSA-N -1 1 374.220 0.951 10 0 FCAEMM CN(C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)c1nn[n-]n1 ZINC001532085492 1267158796 /nfs/dbraw/zinc/15/87/96/1267158796.db2.gz PAKBRWAPGQVYBU-UHFFFAOYSA-N -1 1 353.404 0.815 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[n-]1 ZINC001534727751 1267269427 /nfs/dbraw/zinc/26/94/27/1267269427.db2.gz DIRRYDQFFBOCJI-YXPOGWMNSA-N -1 1 362.338 0.663 10 0 FCAEMM Cc1cc(C2(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)CCOCC2)on1 ZINC001534786075 1267272821 /nfs/dbraw/zinc/27/28/21/1267272821.db2.gz IDLQDLQURRBQIP-UHFFFAOYSA-N -1 1 358.358 0.709 10 0 FCAEMM COCCCn1nc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccc1=O ZINC001535591734 1267302670 /nfs/dbraw/zinc/30/26/70/1267302670.db2.gz IALDCTRDFPDZIB-UHFFFAOYSA-N -1 1 359.386 0.907 10 0 FCAEMM COCCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001539212071 1267423007 /nfs/dbraw/zinc/42/30/07/1267423007.db2.gz ZUMGTZRCUWPRRB-UHFFFAOYSA-N -1 1 355.822 0.566 10 0 FCAEMM Cn1c2ccc(NC(=O)c3ccc(-n4[n-]c(=O)[nH]c4=O)cc3)cc2oc1=O ZINC001542779641 1267506766 /nfs/dbraw/zinc/50/67/66/1267506766.db2.gz LJMGOOPOJYROJX-UHFFFAOYSA-N -1 1 367.321 0.963 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC001543298506 1267540828 /nfs/dbraw/zinc/54/08/28/1267540828.db2.gz JJASOGPZBHCCFL-UHFFFAOYSA-N -1 1 368.401 0.527 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)CN2CCCC3(CC3)S2(=O)=O)n1 ZINC001544585287 1267584809 /nfs/dbraw/zinc/58/48/09/1267584809.db2.gz WONDLLCBBFODQF-UHFFFAOYSA-N -1 1 356.404 0.483 10 0 FCAEMM Cc1nonc1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546114409 1267636317 /nfs/dbraw/zinc/63/63/17/1267636317.db2.gz MBCNVZYITJVKTF-UHFFFAOYSA-N -1 1 352.372 0.706 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001338345899 1267914883 /nfs/dbraw/zinc/91/48/83/1267914883.db2.gz GBZSXIYIBGEHAV-UHFFFAOYSA-N -1 1 362.430 0.178 10 0 FCAEMM O=C([C@H]1CC[C@H](Nc2ncccn2)CC1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348748 1268846525 /nfs/dbraw/zinc/84/65/25/1268846525.db2.gz YNSZYNACNJQNGQ-JOCQHMNTSA-N -1 1 372.433 0.471 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001556818962 1268897801 /nfs/dbraw/zinc/89/78/01/1268897801.db2.gz ZNOHJMGQDGDZJX-KDOFPFPSSA-N -1 1 361.373 0.253 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001557457111 1268948430 /nfs/dbraw/zinc/94/84/30/1268948430.db2.gz XWXSXWDZLGUUHZ-UWVGGRQHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001557457111 1268948439 /nfs/dbraw/zinc/94/84/39/1268948439.db2.gz XWXSXWDZLGUUHZ-UWVGGRQHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001557457111 1268948443 /nfs/dbraw/zinc/94/84/43/1268948443.db2.gz XWXSXWDZLGUUHZ-UWVGGRQHSA-N -1 1 369.447 0.860 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)n[n-]1 ZINC001557454675 1268948573 /nfs/dbraw/zinc/94/85/73/1268948573.db2.gz NURXNXMKWXUHTM-SECBINFHSA-N -1 1 372.385 0.851 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)[n-]1 ZINC001557454675 1268948580 /nfs/dbraw/zinc/94/85/80/1268948580.db2.gz NURXNXMKWXUHTM-SECBINFHSA-N -1 1 372.385 0.851 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc3c(c2)nc(CO)n3C)n1 ZINC001557454675 1268948588 /nfs/dbraw/zinc/94/85/88/1268948588.db2.gz NURXNXMKWXUHTM-SECBINFHSA-N -1 1 372.385 0.851 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](OCC)C2CCOCC2)n[n-]1 ZINC001557457032 1268948598 /nfs/dbraw/zinc/94/85/98/1268948598.db2.gz XGXUBUPEIRDIIN-CMPLNLGQSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](OCC)C2CCOCC2)[n-]1 ZINC001557457032 1268948601 /nfs/dbraw/zinc/94/86/01/1268948601.db2.gz XGXUBUPEIRDIIN-CMPLNLGQSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](OCC)C2CCOCC2)n1 ZINC001557457032 1268948604 /nfs/dbraw/zinc/94/86/04/1268948604.db2.gz XGXUBUPEIRDIIN-CMPLNLGQSA-N -1 1 354.407 0.990 10 0 FCAEMM CO[C@](C)(C(=O)N[C@@H](CCSC)c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001557589053 1268956037 /nfs/dbraw/zinc/95/60/37/1268956037.db2.gz GZAJHMHGQMDJQN-LKFCYVNXSA-N -1 1 359.452 0.857 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)NC)o1 ZINC001557952363 1268993673 /nfs/dbraw/zinc/99/36/73/1268993673.db2.gz SASFDFSIYGAEIU-SNVBAGLBSA-N -1 1 358.420 0.111 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)NC)o1 ZINC001557952362 1268993693 /nfs/dbraw/zinc/99/36/93/1268993693.db2.gz SASFDFSIYGAEIU-JTQLQIEISA-N -1 1 358.420 0.111 10 0 FCAEMM C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001558025608 1269003715 /nfs/dbraw/zinc/00/37/15/1269003715.db2.gz QEXRUMBUIBJRJE-LBPRGKRZSA-N -1 1 365.312 0.139 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2c(c1)OCC(=O)N2 ZINC001558048313 1269011662 /nfs/dbraw/zinc/01/16/62/1269011662.db2.gz HCHNWMNCBWYCFQ-UHFFFAOYSA-N -1 1 356.338 0.516 10 0 FCAEMM O=C(CNC(=O)CC1CCCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558049354 1269013709 /nfs/dbraw/zinc/01/37/09/1269013709.db2.gz ROGPPIPYGUQXKX-UHFFFAOYSA-N -1 1 362.430 0.958 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001558203587 1269055222 /nfs/dbraw/zinc/05/52/22/1269055222.db2.gz KZYWVZCIKKNBCT-ZDUSSCGKSA-N -1 1 351.790 0.300 10 0 FCAEMM COC[C@@H](NC(=O)c1cc(I)c[nH]1)c1nn[n-]n1 ZINC001558339496 1269066626 /nfs/dbraw/zinc/06/66/26/1269066626.db2.gz FAEMMHQOTBGAIG-SSDOTTSWSA-N -1 1 362.131 0.250 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)Cn2nnc(-c3ccccc3)n2)[n-]c1=O ZINC001558500071 1269101782 /nfs/dbraw/zinc/10/17/82/1269101782.db2.gz HONMHXOVKQDEGH-UHFFFAOYSA-N -1 1 369.385 0.896 10 0 FCAEMM COC(=O)[C@@H](NC(=O)CN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1)C(C)C ZINC001560206429 1269196502 /nfs/dbraw/zinc/19/65/02/1269196502.db2.gz XOEVNABAUMWFGL-FZMZJTMJSA-N -1 1 366.418 0.642 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCC[S@](=O)Cc1ccccc1 ZINC001565588576 1269479311 /nfs/dbraw/zinc/47/93/11/1269479311.db2.gz JEHYZZOZSASOKI-VWLOTQADSA-N -1 1 361.423 0.582 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614555 1269482827 /nfs/dbraw/zinc/48/28/27/1269482827.db2.gz RQQUNSVAESHXFB-QDOCKXBDSA-N -1 1 356.342 0.144 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614140 1269483025 /nfs/dbraw/zinc/48/30/25/1269483025.db2.gz BGQSYPCWVVFWIL-GFCCVEGCSA-N -1 1 365.415 0.136 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCO[C@@H](c3nn[n-]n3)C1)C2 ZINC001565614632 1269483309 /nfs/dbraw/zinc/48/33/09/1269483309.db2.gz VWSYYQJMOYGWQU-CXAGYDPISA-N -1 1 357.370 0.580 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001565614873 1269483395 /nfs/dbraw/zinc/48/33/95/1269483395.db2.gz FEALTOLXQPUMKU-UHFFFAOYSA-N -1 1 350.306 0.195 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@H](C)OC)CCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC001566008577 1269545926 /nfs/dbraw/zinc/54/59/26/1269545926.db2.gz KLDPZDUWMBAHGX-AEGPPILISA-N -1 1 361.446 0.917 10 0 FCAEMM CON(C)S(=O)(=O)c1cc(NC(=O)CCc2nn[n-]n2)ccc1Cl ZINC001566159407 1269618640 /nfs/dbraw/zinc/61/86/40/1269618640.db2.gz IBRRJTNXUIFHTC-UHFFFAOYSA-N -1 1 374.810 0.606 10 0 FCAEMM CN(C(=O)CCc1nn[n-]n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001566692725 1269656723 /nfs/dbraw/zinc/65/67/23/1269656723.db2.gz DDDQMCFUHXXGKQ-SNVBAGLBSA-N -1 1 355.807 0.773 10 0 FCAEMM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001567000674 1269673293 /nfs/dbraw/zinc/67/32/93/1269673293.db2.gz VCMDQAZBCIMMFG-LBPRGKRZSA-N -1 1 369.385 0.881 10 0 FCAEMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001568334879 1269728388 /nfs/dbraw/zinc/72/83/88/1269728388.db2.gz APEORFDMDADUPA-YNEHKIRRSA-N -1 1 361.450 0.668 10 0 FCAEMM CN(C[C@@H]1C[C@H](F)CN1C(=O)CCc1nn[n-]n1)C(=O)OC(C)(C)C ZINC001568983818 1269757163 /nfs/dbraw/zinc/75/71/63/1269757163.db2.gz PYQZPSYLMJNWMW-QWRGUYRKSA-N -1 1 356.402 0.938 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC001569733553 1269800290 /nfs/dbraw/zinc/80/02/90/1269800290.db2.gz VZKJOPMVJMOMKP-JTQLQIEISA-N -1 1 358.171 0.884 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001570204693 1269847741 /nfs/dbraw/zinc/84/77/41/1269847741.db2.gz AKOUEBCULSKNAX-WDEREUQCSA-N -1 1 368.440 0.046 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001571870146 1269966871 /nfs/dbraw/zinc/96/68/71/1269966871.db2.gz UJRCPLDJSOLGIW-MGPQQGTHSA-N -1 1 364.446 0.326 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001571870145 1269966992 /nfs/dbraw/zinc/96/69/92/1269966992.db2.gz UJRCPLDJSOLGIW-BFHYXJOUSA-N -1 1 364.446 0.326 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001572277350 1270021721 /nfs/dbraw/zinc/02/17/21/1270021721.db2.gz JDWQZQUIRLVGEP-MGPQQGTHSA-N -1 1 364.446 0.326 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCC(=O)NC)CCN1C(=O)c1ncccc1[O-] ZINC001344785798 1270241371 /nfs/dbraw/zinc/24/13/71/1270241371.db2.gz IVDUAALHBQPTNW-QWHCGFSZSA-N -1 1 362.430 0.813 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC001573330574 1270748795 /nfs/dbraw/zinc/74/87/95/1270748795.db2.gz HMNDYQHVILTCBA-BNOWGMLFSA-N -1 1 360.414 0.232 10 0 FCAEMM CN(CCOCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1ncccc1[O-] ZINC001573409655 1270773296 /nfs/dbraw/zinc/77/32/96/1270773296.db2.gz YNVKQTLFXITTOU-UGSOOPFHSA-N -1 1 363.414 0.371 10 0 FCAEMM CCCCC(=O)NC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001573785175 1270881269 /nfs/dbraw/zinc/88/12/69/1270881269.db2.gz SNMZOGSFOIOWRQ-ZIAGYGMSSA-N -1 1 364.446 0.328 10 0 FCAEMM O=C(Cc1nc[nH]n1)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001574115617 1271071226 /nfs/dbraw/zinc/07/12/26/1271071226.db2.gz OTOANNHNKFHAHO-FZKQIMNGSA-N -1 1 370.413 0.649 10 0 FCAEMM O=C(Cc1nnc[nH]1)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001574115617 1271071248 /nfs/dbraw/zinc/07/12/48/1271071248.db2.gz OTOANNHNKFHAHO-FZKQIMNGSA-N -1 1 370.413 0.649 10 0 FCAEMM C[C@H](CNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1n[nH]c(=O)[n-]1 ZINC001713317549 1287274334 /nfs/dbraw/zinc/27/43/34/1287274334.db2.gz OXEYRBZMTUEWQT-KXUCPTDWSA-N -1 1 365.356 0.995 10 0 FCAEMM Cn1[n-]c(CN(CCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C2CC2)nc1=O ZINC001713559867 1287286913 /nfs/dbraw/zinc/28/69/13/1287286913.db2.gz LBIYALHYWQTTGO-LSDHHAIUSA-N -1 1 363.462 0.252 10 0 FCAEMM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC001583359394 1282082648 /nfs/dbraw/zinc/08/26/48/1282082648.db2.gz IUZKRPBMEKXPRF-CYBMUJFWSA-N -1 1 373.413 0.061 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001632219417 1282163040 /nfs/dbraw/zinc/16/30/40/1282163040.db2.gz KKQPMFLVHZHLDG-UHFFFAOYSA-N -1 1 360.461 0.181 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCNS(=O)(=O)c2cccnc2)c1 ZINC001632261359 1282166611 /nfs/dbraw/zinc/16/66/11/1282166611.db2.gz JHWKOVHMXPNLJL-UHFFFAOYSA-N -1 1 363.395 0.616 10 0 FCAEMM C[C@H](CN(C)C(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001632363289 1282170587 /nfs/dbraw/zinc/17/05/87/1282170587.db2.gz DVKFQUZLAVYSSA-HTQZYQBOSA-N -1 1 369.476 0.427 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CSCC(=O)N1 ZINC001632596283 1282189654 /nfs/dbraw/zinc/18/96/54/1282189654.db2.gz YTKBFEWXRIFCBQ-NSHDSACASA-N -1 1 371.440 0.003 10 0 FCAEMM CS(=O)(=O)Nc1ccc(OCCNC(=O)CCCc2nn[n-]n2)cc1 ZINC001632679307 1282198375 /nfs/dbraw/zinc/19/83/75/1282198375.db2.gz ZRIFJYDRFRYMRO-UHFFFAOYSA-N -1 1 368.419 0.089 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001632767880 1282205656 /nfs/dbraw/zinc/20/56/56/1282205656.db2.gz WSBCDTLIHAHKMZ-ZDUSSCGKSA-N -1 1 351.355 0.938 10 0 FCAEMM O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183584 1282209376 /nfs/dbraw/zinc/20/93/76/1282209376.db2.gz PECZOAVGCAMDMJ-ZIAGYGMSSA-N -1 1 356.386 0.148 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001585330390 1282222452 /nfs/dbraw/zinc/22/24/52/1282222452.db2.gz JRFPMRXEBFGKNF-CYBMUJFWSA-N -1 1 360.414 0.567 10 0 FCAEMM O=C(CCc1nn[n-]n1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC001585530242 1282232561 /nfs/dbraw/zinc/23/25/61/1282232561.db2.gz QARWYNYQQLRMIY-UHFFFAOYSA-N -1 1 359.434 0.278 10 0 FCAEMM CCS(=O)(=O)N1CCC(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001633714115 1282269148 /nfs/dbraw/zinc/26/91/48/1282269148.db2.gz AKOBTSTUENJZHK-UHFFFAOYSA-N -1 1 374.488 0.571 10 0 FCAEMM O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cnncc1[O-] ZINC001586645947 1282307974 /nfs/dbraw/zinc/30/79/74/1282307974.db2.gz UPYMOYSMUOFNOT-JTQLQIEISA-N -1 1 363.399 0.868 10 0 FCAEMM CCOC(=O)N1CC[C@@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001634444966 1282329876 /nfs/dbraw/zinc/32/98/76/1282329876.db2.gz DDYAXMRQRYOCCK-SNVBAGLBSA-N -1 1 365.390 0.285 10 0 FCAEMM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001634984559 1282370337 /nfs/dbraw/zinc/37/03/37/1282370337.db2.gz HHOLISACPXWLNL-RYUDHWBXSA-N -1 1 350.375 0.692 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cnncc3[O-])C2=O)c1 ZINC001587698694 1282373497 /nfs/dbraw/zinc/37/34/97/1282373497.db2.gz LUUGILPEQIBKHY-AWEZNQCLSA-N -1 1 358.354 0.735 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001587760068 1282377769 /nfs/dbraw/zinc/37/77/69/1282377769.db2.gz NPNVHRMEXBSDMK-UHFFFAOYSA-N -1 1 357.418 0.352 10 0 FCAEMM CC(C)CC(=O)N1CCCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001587801112 1282379422 /nfs/dbraw/zinc/37/94/22/1282379422.db2.gz DZCJLTQUIDTNDM-UHFFFAOYSA-N -1 1 362.430 0.624 10 0 FCAEMM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001588217311 1282409198 /nfs/dbraw/zinc/40/91/98/1282409198.db2.gz FAVMSCNGNNSSQW-STQMWFEESA-N -1 1 354.370 0.035 10 0 FCAEMM CC(C)(C)c1nnc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[nH]1 ZINC001636050017 1282454738 /nfs/dbraw/zinc/45/47/38/1282454738.db2.gz YBNIHEUDOGRCCF-UHFFFAOYSA-N -1 1 361.406 0.670 10 0 FCAEMM CCOC(=O)C1(CC(=O)N2CCC(c3nn[n-]n3)CC2)CCOCC1 ZINC001636174525 1282467197 /nfs/dbraw/zinc/46/71/97/1282467197.db2.gz HLLXJPPQVGJEEG-UHFFFAOYSA-N -1 1 351.407 0.656 10 0 FCAEMM CCO[C@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CCOCC1 ZINC001636322656 1282486510 /nfs/dbraw/zinc/48/65/10/1282486510.db2.gz VOMXEUNADNUZMC-HNNXBMFYSA-N -1 1 351.403 0.703 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001636599028 1282521855 /nfs/dbraw/zinc/52/18/55/1282521855.db2.gz MXXWPPMLXIXJRS-DTWKUNHWSA-N -1 1 366.374 0.730 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](CO)Cc1ccco1 ZINC001637891461 1282634821 /nfs/dbraw/zinc/63/48/21/1282634821.db2.gz WQNDCNYHHLUXKX-LLVKDONJSA-N -1 1 362.386 0.498 10 0 FCAEMM Cn1nccc1C1=CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001637891188 1282635511 /nfs/dbraw/zinc/63/55/11/1282635511.db2.gz SQDFSWHTRGGHCW-UHFFFAOYSA-N -1 1 370.413 0.987 10 0 FCAEMM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC001639228215 1282761686 /nfs/dbraw/zinc/76/16/86/1282761686.db2.gz MFBRQJZEJMFZOQ-BXKDBHETSA-N -1 1 362.379 0.551 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C\CN1CCOCC1 ZINC001639312125 1282770694 /nfs/dbraw/zinc/77/06/94/1282770694.db2.gz WMXLOHYIGPXIAJ-UARNIUSMSA-N -1 1 363.380 0.933 10 0 FCAEMM CC(C)c1nc([C@@H](CO)NC(=O)CNC(=O)c2ncccc2[O-])cs1 ZINC001639389160 1282784633 /nfs/dbraw/zinc/78/46/33/1282784633.db2.gz MEOKCQUHDGBOAC-SNVBAGLBSA-N -1 1 364.427 0.947 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cn(CC3(C)COC3)nn2)[n-]c1=O ZINC001640132268 1282840552 /nfs/dbraw/zinc/84/05/52/1282840552.db2.gz JWWQCUBMQGDUAY-LBPRGKRZSA-N -1 1 374.401 0.796 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)[n-]c1=O ZINC001640132621 1282841105 /nfs/dbraw/zinc/84/11/05/1282841105.db2.gz RNGOMRDKXPECQL-DCAQKATOSA-N -1 1 357.432 0.924 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1 ZINC001640551639 1282873601 /nfs/dbraw/zinc/87/36/01/1282873601.db2.gz WXPXQVDDNMYPKR-NWDGAFQWSA-N -1 1 353.375 0.840 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C1 ZINC001640551639 1282873611 /nfs/dbraw/zinc/87/36/11/1282873611.db2.gz WXPXQVDDNMYPKR-NWDGAFQWSA-N -1 1 353.375 0.840 10 0 FCAEMM O=C(CCCc1nn[n-]n1)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001641235205 1282934732 /nfs/dbraw/zinc/93/47/32/1282934732.db2.gz VNNFEIJWSDINGS-UHFFFAOYSA-N -1 1 364.431 0.697 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H]1SC ZINC001683563124 1284035187 /nfs/dbraw/zinc/03/51/87/1284035187.db2.gz MFMRCBJRILKQNJ-BZPMIXESSA-N -1 1 368.459 0.963 10 0 FCAEMM CC(C)OC[C@H](CO)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001683595084 1284052359 /nfs/dbraw/zinc/05/23/59/1284052359.db2.gz TYZAOGPXLOVRAO-NSHDSACASA-N -1 1 354.407 0.182 10 0 FCAEMM CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001683903256 1284124929 /nfs/dbraw/zinc/12/49/29/1284124929.db2.gz GVXOWBLOWKAHAF-VXGBXAGGSA-N -1 1 358.402 0.541 10 0 FCAEMM Cn1ncnc1C1(O)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001684343008 1284157993 /nfs/dbraw/zinc/15/79/93/1284157993.db2.gz WJPUXTOBVKVRKD-UHFFFAOYSA-N -1 1 353.329 0.254 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)Cn1ccccc1=O ZINC001702793023 1285872562 /nfs/dbraw/zinc/87/25/62/1285872562.db2.gz CUYVRAIAPXENEN-ZIAGYGMSSA-N -1 1 370.409 0.473 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702960220 1286022957 /nfs/dbraw/zinc/02/29/57/1286022957.db2.gz QNSWCGPBUNPHDK-SYQHCUMBSA-N -1 1 362.430 0.221 10 0 FCAEMM COC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)OC)c1nn[n-]n1 ZINC001595889442 1286267487 /nfs/dbraw/zinc/26/74/87/1286267487.db2.gz PCOVRCGZVIFVSC-GFCCVEGCSA-N -1 1 358.358 0.514 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001595958882 1286274682 /nfs/dbraw/zinc/27/46/82/1286274682.db2.gz PMBMJSHCWBJYKY-SNVBAGLBSA-N -1 1 373.397 0.185 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)o1 ZINC001596342847 1286297239 /nfs/dbraw/zinc/29/72/39/1286297239.db2.gz MVBFRRGTTGZABJ-OAHLLOKOSA-N -1 1 371.415 0.538 10 0 FCAEMM Cn1c2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2c(=O)n(C)c1=O ZINC001596906602 1286319303 /nfs/dbraw/zinc/31/93/03/1286319303.db2.gz HCCPZWOMTHHXGL-UHFFFAOYSA-N -1 1 353.334 0.764 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001704947443 1286333650 /nfs/dbraw/zinc/33/36/50/1286333650.db2.gz MUJDLIAHWZMZHP-JHJVBQTASA-N -1 1 364.446 0.867 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCN(CC(F)F)CC2)c1 ZINC001597335498 1286339639 /nfs/dbraw/zinc/33/96/39/1286339639.db2.gz KUYKHTBWZQEIGV-UHFFFAOYSA-N -1 1 363.386 0.955 10 0 FCAEMM CC(C)(C)OC(=O)NC/C=C\CNC(=O)CNC(=O)c1ncccc1[O-] ZINC001597519206 1286349329 /nfs/dbraw/zinc/34/93/29/1286349329.db2.gz SAURNPMQWBPHGK-PLNGDYQASA-N -1 1 364.402 0.714 10 0 FCAEMM COc1cccc(C(=O)NCC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)c1 ZINC001597548617 1286350305 /nfs/dbraw/zinc/35/03/05/1286350305.db2.gz JBABAIWTSLETLZ-UHFFFAOYSA-N -1 1 374.397 0.636 10 0 FCAEMM COc1cccc(C[C@@H](O)C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)c1 ZINC001597549095 1286351018 /nfs/dbraw/zinc/35/10/18/1286351018.db2.gz NNETVDMUWOHNOY-CQSZACIVSA-N -1 1 361.398 0.809 10 0 FCAEMM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)C1=O ZINC001597683323 1286355628 /nfs/dbraw/zinc/35/56/28/1286355628.db2.gz CBDWJTFXZHZMBC-MRXNPFEDSA-N -1 1 364.358 0.663 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001705280099 1286370481 /nfs/dbraw/zinc/37/04/81/1286370481.db2.gz HYIUNIGLLFUSNE-VVVCHXIZSA-N -1 1 362.386 0.465 10 0 FCAEMM CN(CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)c1ncccc1[O-] ZINC001720564615 1288240668 /nfs/dbraw/zinc/24/06/68/1288240668.db2.gz HZQQGKYLVXOKJL-CHWSQXEVSA-N -1 1 357.414 0.903 10 0 FCAEMM CC(C)n1cc(Br)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)n1 ZINC001616141685 1289768793 /nfs/dbraw/zinc/76/87/93/1289768793.db2.gz CKZURXOMOITNET-SECBINFHSA-N -1 1 370.211 0.953 10 0 FCAEMM O=C(CN1C(=O)c2ccccc2C1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001616944272 1289802733 /nfs/dbraw/zinc/80/27/33/1289802733.db2.gz AWLXEKNPWYRWFH-LLVKDONJSA-N -1 1 358.383 0.112 10 0 FCAEMM COC[C@@H](C)n1ccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)n1 ZINC001617223242 1289824863 /nfs/dbraw/zinc/82/48/63/1289824863.db2.gz WLCJHXZTGNAOTC-SNVBAGLBSA-N -1 1 358.358 0.922 10 0 FCAEMM CC(C)OCCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001702189867 1289824995 /nfs/dbraw/zinc/82/49/95/1289824995.db2.gz BSXAOVQFMSABKK-TZMCWYRMSA-N -1 1 351.403 0.294 10 0 FCAEMM Cc1ccc(N2CC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])C2=O)cc1 ZINC001617780929 1289866132 /nfs/dbraw/zinc/86/61/32/1289866132.db2.gz RXCVYTBOPMZWOU-CQSZACIVSA-N -1 1 368.393 0.747 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C[C@H](C)SC ZINC001702304031 1289995646 /nfs/dbraw/zinc/99/56/46/1289995646.db2.gz XFXPVJGOKQYEJM-DMDPSCGWSA-N -1 1 353.444 0.884 10 0 FCAEMM CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001620647973 1290012411 /nfs/dbraw/zinc/01/24/11/1290012411.db2.gz IVQMAFQSJJYFNN-NSHDSACASA-N -1 1 352.391 0.349 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c1 ZINC001623843088 1290238426 /nfs/dbraw/zinc/23/84/26/1290238426.db2.gz FHGNUFMUVDWMPK-UHFFFAOYSA-N -1 1 354.428 0.915 10 0 FCAEMM CNS(=O)(=O)N1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001623956271 1290243624 /nfs/dbraw/zinc/24/36/24/1290243624.db2.gz WGWBEWXAYZPVLF-UHFFFAOYSA-N -1 1 368.390 0.302 10 0 FCAEMM Cn1nccc1[C@H]1C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001624277385 1290262813 /nfs/dbraw/zinc/26/28/13/1290262813.db2.gz MSKSVOKPMHFBHN-SMDDNHRTSA-N -1 1 359.386 0.287 10 0 FCAEMM CSc1ncc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(=O)[n-]1 ZINC001624677824 1290287487 /nfs/dbraw/zinc/28/74/87/1290287487.db2.gz WPJRGLFSEQMVJE-UHFFFAOYSA-N -1 1 351.388 0.804 10 0 FCAEMM COc1ccc(NC(=O)c2cc(C=O)n(C)n2)cc1[N-]S(C)(=O)=O ZINC001625125308 1290321410 /nfs/dbraw/zinc/32/14/10/1290321410.db2.gz KVEAZOPRBUDBMG-UHFFFAOYSA-N -1 1 352.372 0.865 10 0 FCAEMM CN1C[C@@H](NC(=O)c2ccc(I)cc2[O-])CC1=O ZINC001627288886 1290451835 /nfs/dbraw/zinc/45/18/35/1290451835.db2.gz XHQDEJQPDWKBJV-QMMMGPOBSA-N -1 1 360.151 0.957 10 0 FCAEMM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001627937474 1290496923 /nfs/dbraw/zinc/49/69/23/1290496923.db2.gz DBYHSODDGZJXHV-UHFFFAOYSA-N -1 1 372.429 0.960 10 0 FCAEMM CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)NCc1nn[n-]n1 ZINC001628113006 1290506776 /nfs/dbraw/zinc/50/67/76/1290506776.db2.gz VZIAXZWSJWTAME-GFCCVEGCSA-N -1 1 360.374 0.888 10 0 FCAEMM CC1=C(C)C(=O)N(CCC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)C1=O ZINC001628145507 1290510921 /nfs/dbraw/zinc/51/09/21/1290510921.db2.gz YARBBSGDYSKNBZ-UHFFFAOYSA-N -1 1 370.369 0.813 10 0 FCAEMM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001628481149 1290537354 /nfs/dbraw/zinc/53/73/54/1290537354.db2.gz QGMHOFSFHXFNLI-ZDUSSCGKSA-N -1 1 367.421 0.830 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCc3nn[n-]n3)CC[C@H]21 ZINC001628526776 1290540800 /nfs/dbraw/zinc/54/08/00/1290540800.db2.gz ZLQACRHJLHPHEO-VXGBXAGGSA-N -1 1 350.423 0.990 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)COc2c(C)nn(C)c2C)n[n-]1 ZINC001629028579 1290569735 /nfs/dbraw/zinc/56/97/35/1290569735.db2.gz BUVUPTFUZXGXND-SECBINFHSA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)COc2c(C)nn(C)c2C)[n-]1 ZINC001629028579 1290569737 /nfs/dbraw/zinc/56/97/37/1290569737.db2.gz BUVUPTFUZXGXND-SECBINFHSA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)COc2c(C)nn(C)c2C)n1 ZINC001629028579 1290569745 /nfs/dbraw/zinc/56/97/45/1290569745.db2.gz BUVUPTFUZXGXND-SECBINFHSA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)n[n-]1 ZINC001629030466 1290571553 /nfs/dbraw/zinc/57/15/53/1290571553.db2.gz ZHVLQQRVVOBOII-QFYYESIMSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)[n-]1 ZINC001629030466 1290571563 /nfs/dbraw/zinc/57/15/63/1290571563.db2.gz ZHVLQQRVVOBOII-QFYYESIMSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@]2(CC(C)C)CCNC2=O)n1 ZINC001629030466 1290571574 /nfs/dbraw/zinc/57/15/74/1290571574.db2.gz ZHVLQQRVVOBOII-QFYYESIMSA-N -1 1 351.407 0.711 10 0 FCAEMM NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC001629817376 1290626239 /nfs/dbraw/zinc/62/62/39/1290626239.db2.gz NBWHCLXMUMSCPJ-UHFFFAOYSA-N -1 1 366.420 0.869 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NN1C(=O)[C@@H](C)N(C)C1=O ZINC001629880192 1290631766 /nfs/dbraw/zinc/63/17/66/1290631766.db2.gz CHVDCHHIEONRED-SNVBAGLBSA-N -1 1 370.369 0.409 10 0 FCAEMM COCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001631260982 1290723354 /nfs/dbraw/zinc/72/33/54/1290723354.db2.gz XBCKSYFANMBANM-GFCCVEGCSA-N -1 1 369.443 0.725 10 0 FCAEMM Cn1c2ncn(CC(=O)Nc3cc(F)cc(F)c3[O-])c2c(=O)n(C)c1=O ZINC001643106479 1290850143 /nfs/dbraw/zinc/85/01/43/1290850143.db2.gz DGLPBUSYYNQOAO-UHFFFAOYSA-N -1 1 365.296 0.056 10 0 FCAEMM CN1C[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c2ccccc2C1=O ZINC001643244528 1290867176 /nfs/dbraw/zinc/86/71/76/1290867176.db2.gz RZTFQPAFEPDVOU-CYBMUJFWSA-N -1 1 368.393 0.741 10 0 FCAEMM O=C(c1c(Br)nc2n1CCOC2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643386602 1290879611 /nfs/dbraw/zinc/87/96/11/1290879611.db2.gz FDCVILMQOUFVAN-SSDOTTSWSA-N -1 1 368.195 0.319 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1noc(C(F)(F)F)n1 ZINC001643382826 1290880283 /nfs/dbraw/zinc/88/02/83/1290880283.db2.gz VWCZRXIQUMDPKM-LURJTMIESA-N -1 1 359.264 0.796 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001643386390 1290881205 /nfs/dbraw/zinc/88/12/05/1290881205.db2.gz AEZYRYBBYXDGSE-YBJDMEARSA-N -1 1 356.386 0.397 10 0 FCAEMM COc1ccccc1-c1nnc(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)o1 ZINC001643387132 1290881693 /nfs/dbraw/zinc/88/16/93/1290881693.db2.gz MPXSRIHVFJXDJY-SNVBAGLBSA-N -1 1 355.358 0.817 10 0 FCAEMM O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC(c2nn[n-]n2)CC1 ZINC001644045237 1290937980 /nfs/dbraw/zinc/93/79/80/1290937980.db2.gz KGUUMUVKNQCTIQ-UHFFFAOYSA-N -1 1 354.370 0.873 10 0 FCAEMM COCCn1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c(=O)cc1C ZINC001644155947 1290944538 /nfs/dbraw/zinc/94/45/38/1290944538.db2.gz BNFMSFKTYYKICX-UHFFFAOYSA-N -1 1 374.397 0.301 10 0 FCAEMM NC(=O)C1(NCc2cc(=O)oc3cc([O-])ccc23)CCS(=O)(=O)CC1 ZINC001644234543 1290948701 /nfs/dbraw/zinc/94/87/01/1290948701.db2.gz NYGVUECAMGDDKP-UHFFFAOYSA-N -1 1 366.395 0.021 10 0 FCAEMM O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001644299362 1290953473 /nfs/dbraw/zinc/95/34/73/1290953473.db2.gz NQFUJRJTUPUHKD-ZETCQYMHSA-N -1 1 370.200 0.647 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001644779431 1290985068 /nfs/dbraw/zinc/98/50/68/1290985068.db2.gz ISWUGUXXCWJLMK-UHFFFAOYSA-N -1 1 359.390 0.221 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cn(C3CCOCC3)nn2)[n-]c1=O ZINC001645225061 1291009889 /nfs/dbraw/zinc/00/98/89/1291009889.db2.gz LGTUWZWVKGOGHY-UHFFFAOYSA-N -1 1 362.390 0.799 10 0 FCAEMM CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CC1 ZINC001645346776 1291019650 /nfs/dbraw/zinc/01/96/50/1291019650.db2.gz YHCBAHRHRQOJHW-LBPRGKRZSA-N -1 1 370.479 0.043 10 0 FCAEMM CC(=O)N[C@@H](C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)C1CCCC1 ZINC001645351384 1291020995 /nfs/dbraw/zinc/02/09/95/1291020995.db2.gz OIRNEFIKLZKDRA-CQSZACIVSA-N -1 1 350.419 0.892 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)c1 ZINC001647909267 1291084351 /nfs/dbraw/zinc/08/43/51/1291084351.db2.gz HBTZAEJTMAOYIO-LBPRGKRZSA-N -1 1 372.381 0.321 10 0 FCAEMM CCn1ncnc1-c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC001648504604 1291126794 /nfs/dbraw/zinc/12/67/94/1291126794.db2.gz SCBJOWKUGSHUJO-UHFFFAOYSA-N -1 1 361.387 0.739 10 0 FCAEMM CCn1ncnc1-c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC001648504604 1291126799 /nfs/dbraw/zinc/12/67/99/1291126799.db2.gz SCBJOWKUGSHUJO-UHFFFAOYSA-N -1 1 361.387 0.739 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001650748183 1291177978 /nfs/dbraw/zinc/17/79/78/1291177978.db2.gz FMXRATIMJHKCKU-MDZLAQPJSA-N -1 1 360.414 0.566 10 0 FCAEMM C[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001650857597 1291180778 /nfs/dbraw/zinc/18/07/78/1291180778.db2.gz DZOGKHSJLOEVTM-TUAOUCFPSA-N -1 1 368.438 0.380 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1=O ZINC001650857632 1291181270 /nfs/dbraw/zinc/18/12/70/1291181270.db2.gz FSGHBRNITMXTDA-LLVKDONJSA-N -1 1 374.401 0.333 10 0 FCAEMM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857918 1291181518 /nfs/dbraw/zinc/18/15/18/1291181518.db2.gz LUELQEQTQVMIBI-PRULPYPASA-N -1 1 365.463 0.241 10 0 FCAEMM C[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001650857596 1291181645 /nfs/dbraw/zinc/18/16/45/1291181645.db2.gz DZOGKHSJLOEVTM-SRVKXCTJSA-N -1 1 368.438 0.380 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC001651180884 1291203312 /nfs/dbraw/zinc/20/33/12/1291203312.db2.gz QWZUXWWUCWBXMX-UHFFFAOYSA-N -1 1 372.495 0.682 10 0 FCAEMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218741 1291208698 /nfs/dbraw/zinc/20/86/98/1291208698.db2.gz UMHGBBYVALLTOD-SNVBAGLBSA-N -1 1 367.406 0.944 10 0 FCAEMM NC(=O)N[C@H](CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)c1cccs1 ZINC001651874314 1291247155 /nfs/dbraw/zinc/24/71/55/1291247155.db2.gz KQBQGBURXKFQCF-WDEREUQCSA-N -1 1 363.447 0.842 10 0 FCAEMM Cn1nnc(Br)c1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651874152 1291247375 /nfs/dbraw/zinc/24/73/75/1291247375.db2.gz GTINHTHJZUECBC-SSDOTTSWSA-N -1 1 355.200 0.186 10 0 FCAEMM COCCO[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456575 1292177772 /nfs/dbraw/zinc/17/77/72/1292177772.db2.gz KYEOIGNRBMOEQH-LBPRGKRZSA-N -1 1 366.418 0.592 10 0 FCAEMM CC1(C)O[C@@H]2C[C@@H](NC(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C[C@@H]2O1 ZINC001684867691 1292346634 /nfs/dbraw/zinc/34/66/34/1292346634.db2.gz AWHXVQJBXOSQGH-CGJHYDBRSA-N -1 1 364.402 0.737 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1cnn(C)c1 ZINC001685827081 1292647535 /nfs/dbraw/zinc/64/75/35/1292647535.db2.gz GBGUOQGPDLSRSX-UKRRQHHQSA-N -1 1 371.441 0.978 10 0 FCAEMM CC(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001686052320 1292748992 /nfs/dbraw/zinc/74/89/92/1292748992.db2.gz IFLIQVUATMVPCK-RDBSUJKOSA-N -1 1 362.430 0.221 10 0 FCAEMM CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001686111094 1292771738 /nfs/dbraw/zinc/77/17/38/1292771738.db2.gz SBPXLSJLXQQLDO-BNOWGMLFSA-N -1 1 360.414 0.958 10 0 FCAEMM C[C@@]1(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)Cc2ccccc2C(=O)O1 ZINC000749321657 836356446 /nfs/dbraw/zinc/35/64/46/836356446.db2.gz MXZHWTDEHDHMON-AWEZNQCLSA-N -1 1 350.356 0.319 10 0 FCAEMM C[C@@]1(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)Cc2ccccc2C(=O)O1 ZINC000749321657 836356452 /nfs/dbraw/zinc/35/64/52/836356452.db2.gz MXZHWTDEHDHMON-AWEZNQCLSA-N -1 1 350.356 0.319 10 0 FCAEMM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)cn2)c1 ZINC000798841902 836488636 /nfs/dbraw/zinc/48/86/36/836488636.db2.gz SGPGUFVJNDRWEK-OAHLLOKOSA-N -1 1 365.459 0.967 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC001117394663 846999670 /nfs/dbraw/zinc/99/96/70/846999670.db2.gz DLOCMOMYLXABNV-UHFFFAOYSA-N -1 1 367.349 0.881 10 0 FCAEMM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001118177480 847312138 /nfs/dbraw/zinc/31/21/38/847312138.db2.gz SXTKDNZVGXGFPV-SUNKGSAMSA-N -1 1 369.443 0.704 10 0 FCAEMM CS(C)(=O)=Nc1cccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC001118815964 847590177 /nfs/dbraw/zinc/59/01/77/847590177.db2.gz KZPCBBHQDIRFSM-GFCCVEGCSA-N -1 1 350.404 0.773 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCCc2ccsc2)CC1 ZINC001119574401 847892708 /nfs/dbraw/zinc/89/27/08/847892708.db2.gz ZXQSHJXUBRAZFR-UHFFFAOYSA-N -1 1 354.476 0.634 10 0 FCAEMM CN(C1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2C)CC1)S(C)(=O)=O ZINC001123146502 848572669 /nfs/dbraw/zinc/57/26/69/848572669.db2.gz QWJINKLPVIBMOT-UHFFFAOYSA-N -1 1 374.858 0.114 10 0 FCAEMM COC[C@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CCO1 ZINC001123594188 848610352 /nfs/dbraw/zinc/61/03/52/848610352.db2.gz JOYIETCTCZIBCC-SNVBAGLBSA-N -1 1 353.814 0.978 10 0 FCAEMM CN(C(=O)COc1ccc(I)cc1)c1nn[n-]n1 ZINC001131169776 849084321 /nfs/dbraw/zinc/08/43/21/849084321.db2.gz NLQAJMKIWGTMRR-UHFFFAOYSA-N -1 1 359.127 0.846 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)nc2n1 ZINC001131556270 849123168 /nfs/dbraw/zinc/12/31/68/849123168.db2.gz SLNQMBKZCUATDG-SNVBAGLBSA-N -1 1 351.363 0.275 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCC(=O)NCC23COC3)c(=O)[n-]1 ZINC001132853724 849144241 /nfs/dbraw/zinc/14/42/41/849144241.db2.gz HJCVCCJUVHIAQS-UHFFFAOYSA-N -1 1 366.443 0.263 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1n[nH]cc1Br ZINC001136704194 849236564 /nfs/dbraw/zinc/23/65/64/849236564.db2.gz OJBZMWYLROODPR-UHFFFAOYSA-N -1 1 354.164 0.319 10 0 FCAEMM CSc1ncc(C(=O)N(C)C[C@@H](O)COCCOC(C)C)c(=O)[n-]1 ZINC001137237628 849260043 /nfs/dbraw/zinc/26/00/43/849260043.db2.gz BNJJTLROFHDGHG-LLVKDONJSA-N -1 1 359.448 0.779 10 0 FCAEMM Nc1c(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cnn1-c1ccccc1 ZINC001138437022 849309817 /nfs/dbraw/zinc/30/98/17/849309817.db2.gz DGSJFZGFPRLUJU-GFCCVEGCSA-N -1 1 356.415 0.898 10 0 FCAEMM O=C(c1ccnc(-c2ccccn2)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001138438623 849311314 /nfs/dbraw/zinc/31/13/14/849311314.db2.gz XNPCTEFLEUCEBE-LBPRGKRZSA-N -1 1 354.399 0.982 10 0 FCAEMM NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001140652399 849366219 /nfs/dbraw/zinc/36/62/19/849366219.db2.gz KSDZCKHONRYETD-UHFFFAOYSA-N -1 1 371.321 0.895 10 0 FCAEMM CN1C(=O)N=NC1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001143595946 849494210 /nfs/dbraw/zinc/49/42/10/849494210.db2.gz GMZPUERQEIPTNJ-UHFFFAOYSA-N -1 1 357.392 0.121 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@]1(C2CCCC2)CCNC1=O)c1nn[n-]n1 ZINC001148261122 849605532 /nfs/dbraw/zinc/60/55/32/849605532.db2.gz QWAXAEHRUNAWMN-XHDPSFHLSA-N -1 1 352.464 0.807 10 0 FCAEMM CCC1(CC)NC(=O)N(CC(=O)NCc2cc(=O)[n-]c(SC)n2)C1=O ZINC001163570428 850373813 /nfs/dbraw/zinc/37/38/13/850373813.db2.gz AASGYGBGDWTPDX-UHFFFAOYSA-N -1 1 367.431 0.631 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cnc(C2OCCO2)s1 ZINC001175214662 850756589 /nfs/dbraw/zinc/75/65/89/850756589.db2.gz RPDFHJMUZZBQFK-UHFFFAOYSA-N -1 1 364.383 0.687 10 0 FCAEMM O=C(NCc1nnc2n1CCNC2=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001176204355 850784291 /nfs/dbraw/zinc/78/42/91/850784291.db2.gz YLVRMJRCZXOHLD-UHFFFAOYSA-N -1 1 355.276 0.676 10 0 FCAEMM CSc1ncc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)c(=O)[n-]1 ZINC001177385277 850845105 /nfs/dbraw/zinc/84/51/05/850845105.db2.gz NXZYLEXJZJKDSA-UHFFFAOYSA-N -1 1 365.415 0.851 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc([O-])cn1)CCS2(=O)=O ZINC001180145197 851014473 /nfs/dbraw/zinc/01/44/73/851014473.db2.gz IKYATWXGTXYGDD-NOEPWBJOSA-N -1 1 368.411 0.416 10 0 FCAEMM CCC1(CO)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001235542076 857426598 /nfs/dbraw/zinc/42/65/98/857426598.db2.gz ACCWEZMZZBDJKP-UHFFFAOYSA-N -1 1 350.419 0.949 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC[C@@H]3CC3(Cl)Cl)ccnc1-2 ZINC001261764040 858659498 /nfs/dbraw/zinc/65/94/98/858659498.db2.gz SYUPTZVKKFOCOY-MRVPVSSYSA-N -1 1 356.213 0.980 10 0 FCAEMM CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(C)C ZINC001281670424 863604765 /nfs/dbraw/zinc/60/47/65/863604765.db2.gz VVDLOWZEERGPOS-UXIGCNINSA-N -1 1 351.403 0.150 10 0 FCAEMM O=C(COCC(F)F)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001281957956 864001315 /nfs/dbraw/zinc/00/13/15/864001315.db2.gz SIFVRMBTUCZSFW-GHMZBOCLSA-N -1 1 355.341 0.742 10 0 FCAEMM C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001296434040 865967119 /nfs/dbraw/zinc/96/71/19/865967119.db2.gz IGQFUSUGHFIIKB-ZETCQYMHSA-N -1 1 369.179 0.285 10 0 FCAEMM CC(C)(C)OC(=O)CCCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296955563 865998537 /nfs/dbraw/zinc/99/85/37/865998537.db2.gz ABVHCEFTNUFPRP-UHFFFAOYSA-N -1 1 353.423 0.912 10 0 FCAEMM CNS(=O)(=O)Nc1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001297140774 866009182 /nfs/dbraw/zinc/00/91/82/866009182.db2.gz RRKPCDXONXFAEE-UHFFFAOYSA-N -1 1 369.428 0.908 10 0 FCAEMM O=C(NCCc1nc[nH]n1)c1cnc(I)c([O-])c1 ZINC001298359874 866108633 /nfs/dbraw/zinc/10/86/33/866108633.db2.gz RQLGVUKHCPLTLI-UHFFFAOYSA-N -1 1 359.127 0.482 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001298677529 866126822 /nfs/dbraw/zinc/12/68/22/866126822.db2.gz UQFNRMLDXNSKNX-JTQLQIEISA-N -1 1 352.391 0.943 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001300042503 866206481 /nfs/dbraw/zinc/20/64/81/866206481.db2.gz HGLGVJHYBBRSHG-UWVGGRQHSA-N -1 1 373.397 0.326 10 0 FCAEMM CN1C(=O)CN=C1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001301592285 866273469 /nfs/dbraw/zinc/27/34/69/866273469.db2.gz DCZROEXDHSKREK-UHFFFAOYSA-N -1 1 363.171 0.848 10 0 FCAEMM Clc1n[n-]c(-c2nnc(N3CCC4(COC4)C3)n2C[C@@H]2CCOC2)n1 ZINC001349313270 866301919 /nfs/dbraw/zinc/30/19/19/866301919.db2.gz OILZJBKFZUNHFI-JTQLQIEISA-N -1 1 365.825 0.980 10 0 FCAEMM Cc1ncncc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001350420453 866591749 /nfs/dbraw/zinc/59/17/49/866591749.db2.gz ATCUIHZXSSLPQQ-NXEZZACHSA-N -1 1 360.292 0.521 10 0 FCAEMM CCCC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC001318875682 867769148 /nfs/dbraw/zinc/76/91/48/867769148.db2.gz BRFKUEKFZYSBHU-UHFFFAOYSA-N -1 1 357.432 0.696 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)n[n-]1 ZINC001320783437 868278038 /nfs/dbraw/zinc/27/80/38/868278038.db2.gz SZGRRVYGQZGOMD-UHFFFAOYSA-N -1 1 366.399 0.456 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 ZINC001320783437 868278053 /nfs/dbraw/zinc/27/80/53/868278053.db2.gz SZGRRVYGQZGOMD-UHFFFAOYSA-N -1 1 366.399 0.456 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2scnc2Br)[n-]1 ZINC001321034855 868349141 /nfs/dbraw/zinc/34/91/41/868349141.db2.gz JVWWAVZETIVBTN-UHFFFAOYSA-N -1 1 352.195 0.680 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2scnc2Br)n[n-]1 ZINC001321034855 868349151 /nfs/dbraw/zinc/34/91/51/868349151.db2.gz JVWWAVZETIVBTN-UHFFFAOYSA-N -1 1 352.195 0.680 10 0 FCAEMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1(C(F)F)CCC1 ZINC001343650656 870537688 /nfs/dbraw/zinc/53/76/88/870537688.db2.gz OMFRGKHSZGEJCS-KOLCDFICSA-N -1 1 355.341 0.524 10 0 FCAEMM C[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001326983438 870603446 /nfs/dbraw/zinc/60/34/46/870603446.db2.gz CGRBUMKWMWFWEI-GWCFXTLKSA-N -1 1 355.416 0.315 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c1 ZINC001327385363 870832271 /nfs/dbraw/zinc/83/22/71/870832271.db2.gz BPUVATSWWHJOKP-JOYOIKCWSA-N -1 1 360.388 0.367 10 0 FCAEMM CO[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCCC1 ZINC001327483086 870901185 /nfs/dbraw/zinc/90/11/85/870901185.db2.gz KLGSBJWNJYIKTB-LBPRGKRZSA-N -1 1 374.415 0.405 10 0 FCAEMM CCCO[N-]C(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001328355068 871379983 /nfs/dbraw/zinc/37/99/83/871379983.db2.gz FETDBYLVYFRXDM-NSHDSACASA-N -1 1 362.448 0.726 10 0 FCAEMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001345721143 871472687 /nfs/dbraw/zinc/47/26/87/871472687.db2.gz FKZUMVYAXNEUFX-ZSBIGDGJSA-N -1 1 361.364 0.818 10 0 FCAEMM CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001329492116 872065670 /nfs/dbraw/zinc/06/56/70/872065670.db2.gz LSVIUIUNXPPQBL-ISTVAULSSA-N -1 1 365.352 0.197 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCNC(=O)OCC(F)(F)F)nc2n1 ZINC001329643243 872150308 /nfs/dbraw/zinc/15/03/08/872150308.db2.gz RHLBCRPWEGRMRO-UHFFFAOYSA-N -1 1 362.268 0.343 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCN2CCOC[C@]2(CO)C1 ZINC001347434121 872330456 /nfs/dbraw/zinc/33/04/56/872330456.db2.gz WARIRGLFLXBMOQ-OAHLLOKOSA-N -1 1 371.231 0.674 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CO3)CCC1 ZINC001332338391 873463094 /nfs/dbraw/zinc/46/30/94/873463094.db2.gz CXZCHLCCXURCIJ-UHFFFAOYSA-N -1 1 367.427 0.561 10 0 FCAEMM COc1ncccc1CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000292318387 214093139 /nfs/dbraw/zinc/09/31/39/214093139.db2.gz UEEYOZAGPCHRQL-UHFFFAOYSA-N -1 1 355.398 0.944 10 0 FCAEMM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293191024 214153496 /nfs/dbraw/zinc/15/34/96/214153496.db2.gz TTZBSLFPAYRVMN-MRVPVSSYSA-N -1 1 359.326 0.030 10 0 FCAEMM Cn1cnc(CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC000930808483 674062761 /nfs/dbraw/zinc/06/27/61/674062761.db2.gz ARYWQPHHNYQTHS-UHFFFAOYSA-N -1 1 352.341 0.422 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)o1 ZINC000360955955 215375779 /nfs/dbraw/zinc/37/57/79/215375779.db2.gz CHUGDTRWYRYGFD-ZDUSSCGKSA-N -1 1 371.459 0.515 10 0 FCAEMM CCCC1N=NC(=S)N1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283776915 213006446 /nfs/dbraw/zinc/00/64/46/213006446.db2.gz UJPIJLOVRRKDPM-VIFPVBQESA-N -1 1 351.436 0.337 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000195287600 209334410 /nfs/dbraw/zinc/33/44/10/209334410.db2.gz XANIQJDMQXXVOH-JTQLQIEISA-N -1 1 367.431 0.647 10 0 FCAEMM C[C@H](CN1CCOC[C@H]1CNS(C)(=O)=O)C(=O)c1ccc([O-])cc1 ZINC000931330318 674108680 /nfs/dbraw/zinc/10/86/80/674108680.db2.gz FMFZXKSQFSPUHU-TZMCWYRMSA-N -1 1 356.444 0.461 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000275301417 212003255 /nfs/dbraw/zinc/00/32/55/212003255.db2.gz NEDJHJNJBADCMM-UHFFFAOYSA-N -1 1 354.428 0.793 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)co1 ZINC000373930962 217075830 /nfs/dbraw/zinc/07/58/30/217075830.db2.gz VBAWZLKGLKBCBN-MQIPJXDCSA-N -1 1 372.443 0.986 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1Cl ZINC000374638529 217152381 /nfs/dbraw/zinc/15/23/81/217152381.db2.gz RIRPLWQJHJRZQD-QWRGUYRKSA-N -1 1 363.867 0.920 10 0 FCAEMM Cn1cc(N2CCC[C@@H](NC(=O)c3c[n-]c4c(cnn4C)c3=O)C2)cn1 ZINC000182071242 209126529 /nfs/dbraw/zinc/12/65/29/209126529.db2.gz LONFJDKSKGZFSS-LLVKDONJSA-N -1 1 355.402 0.806 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000425310567 247321770 /nfs/dbraw/zinc/32/17/70/247321770.db2.gz XNJOTCBHUIVNTL-GFCCVEGCSA-N -1 1 360.370 0.920 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)o1 ZINC000427346717 247516924 /nfs/dbraw/zinc/51/69/24/247516924.db2.gz KUBNWIACNBLXBF-QMMMGPOBSA-N -1 1 365.358 0.351 10 0 FCAEMM O=C(NCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(O)cc1 ZINC000436521894 248044629 /nfs/dbraw/zinc/04/46/29/248044629.db2.gz PPJVEXNTFMQXLK-UHFFFAOYSA-N -1 1 352.350 0.789 10 0 FCAEMM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1=O ZINC000440080894 248154482 /nfs/dbraw/zinc/15/44/82/248154482.db2.gz QRQSJSCQOKIYDT-VIFPVBQESA-N -1 1 364.420 0.797 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000443052138 248304408 /nfs/dbraw/zinc/30/44/08/248304408.db2.gz SEZLFYKGOWTSEI-UHFFFAOYSA-N -1 1 358.420 0.314 10 0 FCAEMM COC(=O)c1cccc(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)c1 ZINC000270241318 211173965 /nfs/dbraw/zinc/17/39/65/211173965.db2.gz LCQRPXWJZCMTIZ-OAHLLOKOSA-N -1 1 373.452 0.941 10 0 FCAEMM CC(C)NS(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000470972526 250083209 /nfs/dbraw/zinc/08/32/09/250083209.db2.gz XDSNGOPRROWNQG-UHFFFAOYSA-N -1 1 350.404 0.306 10 0 FCAEMM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC1(c2nn[n-]n2)CC1 ZINC000470969156 250083842 /nfs/dbraw/zinc/08/38/42/250083842.db2.gz RDBFHBKTYJXFJO-UHFFFAOYSA-N -1 1 353.386 0.722 10 0 FCAEMM CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000470981314 250085287 /nfs/dbraw/zinc/08/52/87/250085287.db2.gz FMJBMAYBWRDWSO-UHFFFAOYSA-N -1 1 364.431 0.649 10 0 FCAEMM COc1cc(OC)c(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)c(OC)c1 ZINC000473300363 250215327 /nfs/dbraw/zinc/21/53/27/250215327.db2.gz JAQDZTHDMFKRSO-UHFFFAOYSA-N -1 1 365.342 0.852 10 0 FCAEMM Cn1[n-]c(CN2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)nc1=O ZINC000931969058 674157588 /nfs/dbraw/zinc/15/75/88/674157588.db2.gz XZOVJNZXSABZPU-RKDXNWHRSA-N -1 1 365.356 0.996 10 0 FCAEMM Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)NN1CC(=O)[N-]C1=O ZINC000287688697 488894672 /nfs/dbraw/zinc/89/46/72/488894672.db2.gz RDGZPLOTRBULFQ-MWLCHTKSSA-N -1 1 370.373 0.818 10 0 FCAEMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)nc1 ZINC000349478120 489295440 /nfs/dbraw/zinc/29/54/40/489295440.db2.gz RWXLUVGLKSLQHD-LBPRGKRZSA-N -1 1 365.477 0.164 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1 ZINC000028256849 487708368 /nfs/dbraw/zinc/70/83/68/487708368.db2.gz ORTBDHXRMBJJRZ-UHFFFAOYSA-N -1 1 363.395 0.711 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O ZINC000051137663 488125894 /nfs/dbraw/zinc/12/58/94/488125894.db2.gz RMNQFVSAABTSJV-LLVKDONJSA-N -1 1 356.835 0.757 10 0 FCAEMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])n[nH]1 ZINC000054148360 488218790 /nfs/dbraw/zinc/21/87/90/488218790.db2.gz XGRYKJMEQSZXDF-UHFFFAOYSA-N -1 1 366.399 0.697 10 0 FCAEMM CC(C)NC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1O ZINC000077264899 488409757 /nfs/dbraw/zinc/40/97/57/488409757.db2.gz IWWFUCRFLKQJKQ-KFWWJZLASA-N -1 1 351.403 0.310 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126770866 488612079 /nfs/dbraw/zinc/61/20/79/488612079.db2.gz YTQSARLKFJNBBO-CQSZACIVSA-N -1 1 369.429 0.712 10 0 FCAEMM COC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CCC1 ZINC000272881156 488613887 /nfs/dbraw/zinc/61/38/87/488613887.db2.gz VMURVCYKZGBVSR-UHFFFAOYSA-N -1 1 370.427 0.921 10 0 FCAEMM CCOCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000264036824 488644424 /nfs/dbraw/zinc/64/44/24/488644424.db2.gz UMQIQJOONGUQHY-UHFFFAOYSA-N -1 1 358.416 0.778 10 0 FCAEMM C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000152076701 488712949 /nfs/dbraw/zinc/71/29/49/488712949.db2.gz QHCOOAIKITYSOD-HNNXBMFYSA-N -1 1 369.425 0.302 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1)c1nn[n-]n1 ZINC000274731485 488730759 /nfs/dbraw/zinc/73/07/59/488730759.db2.gz CUARLXLFHHNALL-WCQYABFASA-N -1 1 360.443 0.977 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274928132 488744561 /nfs/dbraw/zinc/74/45/61/488744561.db2.gz OHUAJVXQNZGGGH-ZDUSSCGKSA-N -1 1 367.383 0.312 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000274947479 488746911 /nfs/dbraw/zinc/74/69/11/488746911.db2.gz HKOVPNZUGCJHLT-CYBMUJFWSA-N -1 1 370.427 0.675 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274965772 488748949 /nfs/dbraw/zinc/74/89/49/488748949.db2.gz VNJIIWPTZFWIMN-SNVBAGLBSA-N -1 1 373.412 0.161 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000275018254 488753932 /nfs/dbraw/zinc/75/39/32/488753932.db2.gz CWBDCZXUTMBWSX-CYBMUJFWSA-N -1 1 367.383 0.561 10 0 FCAEMM CCOCCS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-] ZINC000275183611 488770002 /nfs/dbraw/zinc/77/00/02/488770002.db2.gz DRCQXPKLOXWJMW-UHFFFAOYSA-N -1 1 371.459 0.915 10 0 FCAEMM C[C@H]1CCN(C(=O)NCc2cnnn2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288892101 489026208 /nfs/dbraw/zinc/02/62/08/489026208.db2.gz TUECIRZFQYAWCQ-QXEWZRGKSA-N -1 1 362.356 0.802 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280747764 489029322 /nfs/dbraw/zinc/02/93/22/489029322.db2.gz ZYTGMQKWMSREEC-LJQANCHMSA-N -1 1 374.441 0.978 10 0 FCAEMM O=c1nc([C@@H]2CCCN(CCS(=O)(=O)c3ccc(F)cc3)C2)[nH][n-]1 ZINC000289420238 489065973 /nfs/dbraw/zinc/06/59/73/489065973.db2.gz MRDQVDXMAFSZQO-LLVKDONJSA-N -1 1 354.407 0.890 10 0 FCAEMM COC(=O)c1cccc([C@H](C(=O)OC)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289462990 489068749 /nfs/dbraw/zinc/06/87/49/489068749.db2.gz QFNBOQKREIOACZ-ZIAGYGMSSA-N -1 1 374.397 0.978 10 0 FCAEMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2c(C)onc2N)(C(=O)OC)C1(C)C ZINC000289770724 489092154 /nfs/dbraw/zinc/09/21/54/489092154.db2.gz HMURESQDXGFVJH-OTYXRUKQSA-N -1 1 361.420 0.590 10 0 FCAEMM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3c(C)onc3N)C2)n(C)n1 ZINC000289927445 489103275 /nfs/dbraw/zinc/10/32/75/489103275.db2.gz RANOPBNCRKQDJY-LLVKDONJSA-N -1 1 354.436 0.554 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000290837999 489168629 /nfs/dbraw/zinc/16/86/29/489168629.db2.gz VDZXLPXZNJKWGY-LBPRGKRZSA-N -1 1 352.416 0.543 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282495737 489169108 /nfs/dbraw/zinc/16/91/08/489169108.db2.gz WRIIXVZGZHDWMA-LLVKDONJSA-N -1 1 355.398 0.784 10 0 FCAEMM COCCCS(=O)(=O)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000331164834 489180338 /nfs/dbraw/zinc/18/03/38/489180338.db2.gz DQKWRISGFUBSPU-UHFFFAOYSA-N -1 1 357.432 0.220 10 0 FCAEMM Cn1c2ccccc2n(CCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1=O ZINC000282846686 489194237 /nfs/dbraw/zinc/19/42/37/489194237.db2.gz FWDNMHMJRGJTIA-LBPRGKRZSA-N -1 1 370.413 0.548 10 0 FCAEMM O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899849 489198074 /nfs/dbraw/zinc/19/80/74/489198074.db2.gz LMWWUBSVPZUTMI-NEPJUHHUSA-N -1 1 359.386 0.446 10 0 FCAEMM CC(C)(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)nn1 ZINC000282908510 489198421 /nfs/dbraw/zinc/19/84/21/489198421.db2.gz MNALTVUDPIXVFW-JTQLQIEISA-N -1 1 361.406 0.325 10 0 FCAEMM CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941975 489201062 /nfs/dbraw/zinc/20/10/62/489201062.db2.gz PSQLDYIALBWPFI-YPMHNXCESA-N -1 1 361.402 0.852 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283013075 489206631 /nfs/dbraw/zinc/20/66/31/489206631.db2.gz WPZYOJPWDQIQJK-LBPRGKRZSA-N -1 1 364.427 0.911 10 0 FCAEMM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)cc(C2CC2)n1 ZINC000349568652 489317583 /nfs/dbraw/zinc/31/75/83/489317583.db2.gz ACAGFZWSCIWGBL-UHFFFAOYSA-N -1 1 362.477 0.686 10 0 FCAEMM O=S(=O)(CCCCS(=O)(=O)N1CCCO1)[N-]c1ccc(F)cn1 ZINC000349611150 489328257 /nfs/dbraw/zinc/32/82/57/489328257.db2.gz SCBVDDVRRBOPAU-UHFFFAOYSA-N -1 1 367.424 0.710 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)cc1 ZINC000286582038 489406523 /nfs/dbraw/zinc/40/65/23/489406523.db2.gz VHSOQVASMNYITI-UHFFFAOYSA-N -1 1 373.331 0.658 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000370893580 489424884 /nfs/dbraw/zinc/42/48/84/489424884.db2.gz VVVVUQGTKGEMDW-VXGBXAGGSA-N -1 1 366.422 0.747 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1c[nH]cn1 ZINC000299579887 489457932 /nfs/dbraw/zinc/45/79/32/489457932.db2.gz CNPNUQRZPNEUTN-UHFFFAOYSA-N -1 1 352.372 0.389 10 0 FCAEMM C[C@](O)(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CC1 ZINC000287116854 489462303 /nfs/dbraw/zinc/46/23/03/489462303.db2.gz COXRLXBYIJICFO-MRXNPFEDSA-N -1 1 370.427 0.513 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCO)c(F)c1 ZINC000451494530 489506805 /nfs/dbraw/zinc/50/68/05/489506805.db2.gz ACRWTXGHOMUAJM-UHFFFAOYSA-N -1 1 368.452 0.980 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)co1 ZINC000372304150 489568186 /nfs/dbraw/zinc/56/81/86/489568186.db2.gz BJEORBYVGOCUNM-AWEZNQCLSA-N -1 1 371.459 0.515 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC1CCOCC1 ZINC000428401474 489646669 /nfs/dbraw/zinc/64/66/69/489646669.db2.gz QMUYSZZCBQRXQF-HNNXBMFYSA-N -1 1 356.444 0.902 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ncc(Br)cn1 ZINC000431630854 489813899 /nfs/dbraw/zinc/81/38/99/489813899.db2.gz ADVSGDKLIPVRDJ-RXMQYKEDSA-N -1 1 362.209 1.157 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000461089323 489895978 /nfs/dbraw/zinc/89/59/78/489895978.db2.gz XDKJBRUAKYXPNQ-JTQLQIEISA-N -1 1 364.427 0.653 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn3ccc(C)nc23)c1 ZINC000461458549 489911575 /nfs/dbraw/zinc/91/15/75/489911575.db2.gz YESDWZXJYWXCLD-UHFFFAOYSA-N -1 1 361.383 0.904 10 0 FCAEMM Cc1c(Br)cc(C(=O)NC2(c3nn[n-]n3)CC2)c(=O)n1C ZINC000434278823 489920640 /nfs/dbraw/zinc/92/06/40/489920640.db2.gz WQCIGLAANBPCTF-UHFFFAOYSA-N -1 1 353.180 0.388 10 0 FCAEMM CCCS(=O)(=O)Nc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477044224 489935275 /nfs/dbraw/zinc/93/52/75/489935275.db2.gz CALUSHLYICGBQU-UHFFFAOYSA-N -1 1 350.404 0.771 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000462067037 489955174 /nfs/dbraw/zinc/95/51/74/489955174.db2.gz KFKDNHKVAFPUJS-DZGCQCFKSA-N -1 1 364.446 0.537 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000377851244 489967905 /nfs/dbraw/zinc/96/79/05/489967905.db2.gz SEXCEIXEMNZWFB-LLVKDONJSA-N -1 1 368.415 0.747 10 0 FCAEMM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H](C)O ZINC000477639694 489980985 /nfs/dbraw/zinc/98/09/85/489980985.db2.gz XIRXNMYJUVQBTN-WCQYABFASA-N -1 1 372.443 0.759 10 0 FCAEMM O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000420603013 490001566 /nfs/dbraw/zinc/00/15/66/490001566.db2.gz SYHSGEIBBFNGHE-GFCCVEGCSA-N -1 1 357.370 0.726 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000478583698 490027060 /nfs/dbraw/zinc/02/70/60/490027060.db2.gz SOWXJABNIQIJEK-LBPRGKRZSA-N -1 1 366.447 0.439 10 0 FCAEMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1 ZINC000421152260 490051014 /nfs/dbraw/zinc/05/10/14/490051014.db2.gz JSMCBVQXCVTKHI-CQSZACIVSA-N -1 1 371.459 0.705 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000464892502 490073048 /nfs/dbraw/zinc/07/30/48/490073048.db2.gz LCQBDPHHJXPBMD-JQWIXIFHSA-N -1 1 364.427 0.371 10 0 FCAEMM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113845 490178047 /nfs/dbraw/zinc/17/80/47/490178047.db2.gz RVZVMIZLMXTNOT-KBPBESRZSA-N -1 1 368.397 0.425 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)co1 ZINC000408051342 490228564 /nfs/dbraw/zinc/22/85/64/490228564.db2.gz JKGKNUXFSIZGPA-YNEHKIRRSA-N -1 1 358.416 0.190 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)co1 ZINC000507573157 490236871 /nfs/dbraw/zinc/23/68/71/490236871.db2.gz ZAWGDDCINIDPLD-UHFFFAOYSA-N -1 1 353.404 0.316 10 0 FCAEMM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000408071011 490238009 /nfs/dbraw/zinc/23/80/09/490238009.db2.gz JIZIOJYUOOBKIM-NHCYSSNCSA-N -1 1 358.464 0.509 10 0 FCAEMM Cc1ccc(-c2n[nH]c(SCC(=O)NCCc3nc(=O)o[n-]3)n2)cc1 ZINC000447635374 490249171 /nfs/dbraw/zinc/24/91/71/490249171.db2.gz BXMKPZBLUOWFME-UHFFFAOYSA-N -1 1 360.399 0.907 10 0 FCAEMM CCS(=O)(=O)N1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000408151991 490258994 /nfs/dbraw/zinc/25/89/94/490258994.db2.gz ZDVHDKLOJBXFFW-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM CCS(=O)(=O)N1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000408151991 490259003 /nfs/dbraw/zinc/25/90/03/490259003.db2.gz ZDVHDKLOJBXFFW-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000468051022 490357457 /nfs/dbraw/zinc/35/74/57/490357457.db2.gz SLSSRUIGBXKBHD-NEPJUHHUSA-N -1 1 363.395 0.329 10 0 FCAEMM CCc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1S(C)(=O)=O ZINC000499112951 490388791 /nfs/dbraw/zinc/38/87/91/490388791.db2.gz GUYGEDGFGSVCPI-UHFFFAOYSA-N -1 1 372.428 0.426 10 0 FCAEMM CCc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1S(C)(=O)=O ZINC000499112951 490388794 /nfs/dbraw/zinc/38/87/94/490388794.db2.gz GUYGEDGFGSVCPI-UHFFFAOYSA-N -1 1 372.428 0.426 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)o1 ZINC000534653160 490393181 /nfs/dbraw/zinc/39/31/81/490393181.db2.gz BWQJDANRMAKUOC-CYBMUJFWSA-N -1 1 363.413 0.783 10 0 FCAEMM CCc1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nn1-c1ccccc1 ZINC000522760692 490400536 /nfs/dbraw/zinc/40/05/36/490400536.db2.gz YNFPINRJLSHYDL-UHFFFAOYSA-N -1 1 361.387 0.604 10 0 FCAEMM CCc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nn1-c1ccccc1 ZINC000522760692 490400545 /nfs/dbraw/zinc/40/05/45/490400545.db2.gz YNFPINRJLSHYDL-UHFFFAOYSA-N -1 1 361.387 0.604 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000449833040 490429959 /nfs/dbraw/zinc/42/99/59/490429959.db2.gz FSYOQWKPFULADD-LLVKDONJSA-N -1 1 363.399 0.590 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCN(c3ccccc3)C2=O)[n-]1 ZINC000449833040 490429967 /nfs/dbraw/zinc/42/99/67/490429967.db2.gz FSYOQWKPFULADD-LLVKDONJSA-N -1 1 363.399 0.590 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(F)(F)F ZINC000468774616 490445505 /nfs/dbraw/zinc/44/55/05/490445505.db2.gz AXSVCIANZFUCAR-QMMMGPOBSA-N -1 1 366.321 0.653 10 0 FCAEMM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000548275562 490455355 /nfs/dbraw/zinc/45/53/55/490455355.db2.gz ZRRQLQOEIGUQTP-NEPJUHHUSA-N -1 1 350.462 0.859 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)o1 ZINC000468969223 490470820 /nfs/dbraw/zinc/47/08/20/490470820.db2.gz ORTOCVPNIMEOTA-LBPRGKRZSA-N -1 1 371.371 0.382 10 0 FCAEMM COc1cccc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1OC ZINC000523789171 490495816 /nfs/dbraw/zinc/49/58/16/490495816.db2.gz CICCVUYHVCNVJX-UHFFFAOYSA-N -1 1 354.388 0.797 10 0 FCAEMM COc1cccc(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1OC ZINC000523789171 490495818 /nfs/dbraw/zinc/49/58/18/490495818.db2.gz CICCVUYHVCNVJX-UHFFFAOYSA-N -1 1 354.388 0.797 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2nsnc21 ZINC000548542777 490501983 /nfs/dbraw/zinc/50/19/83/490501983.db2.gz LYRSEYZKFVNYMH-NSHDSACASA-N -1 1 370.456 0.909 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000524577651 490545793 /nfs/dbraw/zinc/54/57/93/490545793.db2.gz RRNGHDJOXZCGSG-UHFFFAOYSA-N -1 1 350.404 0.307 10 0 FCAEMM COC(=O)CC1(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)CC1 ZINC000536170877 490558899 /nfs/dbraw/zinc/55/88/99/490558899.db2.gz ZOHZBZVKNSHBNE-ZDUSSCGKSA-N -1 1 351.446 0.298 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1=O ZINC000549774361 490603144 /nfs/dbraw/zinc/60/31/44/490603144.db2.gz RWQUKPVUOZCVFR-HRDYMLBCSA-N -1 1 366.365 0.727 10 0 FCAEMM O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537123543 490650746 /nfs/dbraw/zinc/65/07/46/490650746.db2.gz WUSOAISVXBJGPE-AWEZNQCLSA-N -1 1 368.397 0.869 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)o1 ZINC000486853229 490676576 /nfs/dbraw/zinc/67/65/76/490676576.db2.gz GWPFDZNPUCYGNM-UHFFFAOYSA-N -1 1 374.396 0.343 10 0 FCAEMM CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225222 490720804 /nfs/dbraw/zinc/72/08/04/490720804.db2.gz QQSCJRNFYDVLMC-LBPRGKRZSA-N -1 1 358.402 0.687 10 0 FCAEMM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538606718 490740432 /nfs/dbraw/zinc/74/04/32/490740432.db2.gz DFMBIPXEJYFVKT-LBPRGKRZSA-N -1 1 355.416 0.625 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000514621432 490776418 /nfs/dbraw/zinc/77/64/18/490776418.db2.gz FIRSLWQWYFWFBR-JSGCOSHPSA-N -1 1 364.446 0.868 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000514621426 490776692 /nfs/dbraw/zinc/77/66/92/490776692.db2.gz FIRSLWQWYFWFBR-GXTWGEPZSA-N -1 1 364.446 0.868 10 0 FCAEMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(O)cc(F)c3)cc2[nH]c1=O ZINC000504274981 490793832 /nfs/dbraw/zinc/79/38/32/490793832.db2.gz PEZUTMLIMCCCBM-UHFFFAOYSA-N -1 1 351.315 0.862 10 0 FCAEMM CCOc1ncccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000504535551 490803607 /nfs/dbraw/zinc/80/36/07/490803607.db2.gz BUZYGEKUVWJPMM-ZDUSSCGKSA-N -1 1 372.429 0.905 10 0 FCAEMM CCOc1ncccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000504535550 490803655 /nfs/dbraw/zinc/80/36/55/490803655.db2.gz BUZYGEKUVWJPMM-CYBMUJFWSA-N -1 1 372.429 0.905 10 0 FCAEMM COc1ccc(NC(=O)NCCCn2ccnn2)cc1[N-]S(C)(=O)=O ZINC000541470061 490863152 /nfs/dbraw/zinc/86/31/52/490863152.db2.gz SSXDQJXQVFRQRV-UHFFFAOYSA-N -1 1 368.419 0.870 10 0 FCAEMM CN1CCN(c2cc(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)ccn2)CC1 ZINC000516473526 490865079 /nfs/dbraw/zinc/86/50/79/490865079.db2.gz UKXMWROFEMDRBD-UHFFFAOYSA-N -1 1 371.445 0.677 10 0 FCAEMM CCC(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)(C1CC1)C1CC1 ZINC000529796868 490877759 /nfs/dbraw/zinc/87/77/59/490877759.db2.gz XQBSDDHAAMZOBH-UHFFFAOYSA-N -1 1 369.443 0.742 10 0 FCAEMM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000530134920 490890344 /nfs/dbraw/zinc/89/03/44/490890344.db2.gz QWNZXNSZBLBQGG-ZETCQYMHSA-N -1 1 367.309 0.136 10 0 FCAEMM CN(C)S(=O)(=O)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000542367003 490894531 /nfs/dbraw/zinc/89/45/31/490894531.db2.gz NQPRBCHNINBETR-UHFFFAOYSA-N -1 1 353.397 0.027 10 0 FCAEMM Cc1cc2c(cc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-])OCO2 ZINC000530371426 490902123 /nfs/dbraw/zinc/90/21/23/490902123.db2.gz VBTGPMBADYEROW-GFCCVEGCSA-N -1 1 370.427 0.941 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCn2ccnn2)o1 ZINC000543204551 490924943 /nfs/dbraw/zinc/92/49/43/490924943.db2.gz UJTGKAFJBPTIBO-UHFFFAOYSA-N -1 1 355.420 0.768 10 0 FCAEMM Cn1cc(CN2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cn1 ZINC000517993556 490927617 /nfs/dbraw/zinc/92/76/17/490927617.db2.gz FWBCJMCVVBETAK-UHFFFAOYSA-N -1 1 352.398 0.615 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543612472 490938505 /nfs/dbraw/zinc/93/85/05/490938505.db2.gz XTWRSQMRFJBULN-HNNXBMFYSA-N -1 1 369.425 0.226 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000543746044 490944859 /nfs/dbraw/zinc/94/48/59/490944859.db2.gz UAJIELIJLCZFCM-OCCSQVGLSA-N -1 1 370.413 0.916 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccnc(OCCO)c2)cc1 ZINC000596050545 491973907 /nfs/dbraw/zinc/97/39/07/491973907.db2.gz HLMCXFHJYLQYRJ-UHFFFAOYSA-N -1 1 366.395 0.969 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C[C@@H]1C(=O)[O-] ZINC000565596675 491387914 /nfs/dbraw/zinc/38/79/14/491387914.db2.gz GMIKAODDIABHRQ-ZFWWWQNUSA-N -1 1 351.447 0.642 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCO2 ZINC000558695191 491442171 /nfs/dbraw/zinc/44/21/71/491442171.db2.gz VLJQRQTVFBSVTC-LLVKDONJSA-N -1 1 356.400 0.633 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000558874321 491447790 /nfs/dbraw/zinc/44/77/90/491447790.db2.gz MODOFGHCIRRFBT-KRWDZBQOSA-N -1 1 364.423 0.961 10 0 FCAEMM COc1ccc(-c2n[n-]c(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)n2)cc1 ZINC000559985298 491513509 /nfs/dbraw/zinc/51/35/09/491513509.db2.gz NYKSWGAACUKZRR-SNVBAGLBSA-N -1 1 373.456 0.935 10 0 FCAEMM COc1ccc(-c2nc(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)n[n-]2)cc1 ZINC000559985298 491513511 /nfs/dbraw/zinc/51/35/11/491513511.db2.gz NYKSWGAACUKZRR-SNVBAGLBSA-N -1 1 373.456 0.935 10 0 FCAEMM CCc1nc(S(=O)(=O)CC(=O)NCc2cnn(-c3ccccc3)c2)n[n-]1 ZINC000575206811 491545989 /nfs/dbraw/zinc/54/59/89/491545989.db2.gz AZAPUIKFPRXBJN-UHFFFAOYSA-N -1 1 374.426 0.643 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCC(=O)C1 ZINC000577516634 491628938 /nfs/dbraw/zinc/62/89/38/491628938.db2.gz CYNXWOAUQLHAHO-LLVKDONJSA-N -1 1 368.411 0.721 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[C@@H]1C(=O)[O-] ZINC000579354021 491696138 /nfs/dbraw/zinc/69/61/38/491696138.db2.gz OWQFTPCVXUYOSG-AAEUAGOBSA-N -1 1 357.370 0.775 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC ZINC000588110490 491739211 /nfs/dbraw/zinc/73/92/11/491739211.db2.gz VVKZUSMFMISIDZ-CYBMUJFWSA-N -1 1 359.400 0.357 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccnn1C ZINC000592097060 491832055 /nfs/dbraw/zinc/83/20/55/491832055.db2.gz OXCABOOHLRWCKE-AWEZNQCLSA-N -1 1 359.448 0.760 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccnn1C ZINC000592096272 491832160 /nfs/dbraw/zinc/83/21/60/491832160.db2.gz KCCZZIPPMGMHDV-QMTHXVAHSA-N -1 1 367.431 0.707 10 0 FCAEMM O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(I)c([O-])c1 ZINC000600593365 491870157 /nfs/dbraw/zinc/87/01/57/491870157.db2.gz SCNZDNTVUBEVAJ-KOLCDFICSA-N -1 1 363.151 0.876 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)cc1C ZINC000595332344 491920958 /nfs/dbraw/zinc/92/09/58/491920958.db2.gz FLRQMVNNYBTROW-LBPRGKRZSA-N -1 1 354.384 0.824 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)c1ccnn1C ZINC000601451957 491921041 /nfs/dbraw/zinc/92/10/41/491921041.db2.gz CNZDNARURVWHTR-ONGXEEELSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1ccnn1C ZINC000595348317 491922809 /nfs/dbraw/zinc/92/28/09/491922809.db2.gz QZRZUJRDYYJHHS-ZDUSSCGKSA-N -1 1 357.363 0.760 10 0 FCAEMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595400424 491928625 /nfs/dbraw/zinc/92/86/25/491928625.db2.gz GJZUTXAYCGZISD-NSHDSACASA-N -1 1 364.464 0.273 10 0 FCAEMM Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000614386240 492027008 /nfs/dbraw/zinc/02/70/08/492027008.db2.gz AVMRJEOGWGIRNA-MRVPVSSYSA-N -1 1 372.428 0.812 10 0 FCAEMM COc1ccc(-n2cc([O-])c(C(=O)NC[C@@H]3CN4CCN3CCC4)n2)cc1 ZINC000614506954 492035235 /nfs/dbraw/zinc/03/52/35/492035235.db2.gz KGRVXRKPGIEQIC-OAHLLOKOSA-N -1 1 371.441 0.706 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCc2cn(C)nn2)n[n-]1 ZINC000597578231 492048645 /nfs/dbraw/zinc/04/86/45/492048645.db2.gz CFROVOYCHJIQGU-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCc2cn(C)nn2)[n-]1 ZINC000597578231 492048647 /nfs/dbraw/zinc/04/86/47/492048647.db2.gz CFROVOYCHJIQGU-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCc2cn(C)nn2)n1 ZINC000597578231 492048648 /nfs/dbraw/zinc/04/86/48/492048648.db2.gz CFROVOYCHJIQGU-GFCCVEGCSA-N -1 1 363.422 0.946 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)n[n-]1 ZINC000597582080 492049404 /nfs/dbraw/zinc/04/94/04/492049404.db2.gz VTQBZFFJZYREFC-VHSXEESVSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)[n-]1 ZINC000597582080 492049406 /nfs/dbraw/zinc/04/94/06/492049406.db2.gz VTQBZFFJZYREFC-VHSXEESVSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC000597582080 492049407 /nfs/dbraw/zinc/04/94/07/492049407.db2.gz VTQBZFFJZYREFC-VHSXEESVSA-N -1 1 352.395 0.208 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000605381284 492093060 /nfs/dbraw/zinc/09/30/60/492093060.db2.gz BRGJYGWNCGWJMI-UHFFFAOYSA-N -1 1 364.369 0.888 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)n[n-]1 ZINC000615920207 492108077 /nfs/dbraw/zinc/10/80/77/492108077.db2.gz PCLBZPUYFVUVEN-UHFFFAOYSA-N -1 1 366.399 0.623 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)n1 ZINC000615920207 492108078 /nfs/dbraw/zinc/10/80/78/492108078.db2.gz PCLBZPUYFVUVEN-UHFFFAOYSA-N -1 1 366.399 0.623 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)n[n-]1 ZINC000616030161 492114930 /nfs/dbraw/zinc/11/49/30/492114930.db2.gz VXHWWWQNELPDSA-NXEZZACHSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)n1 ZINC000616030161 492114932 /nfs/dbraw/zinc/11/49/32/492114932.db2.gz VXHWWWQNELPDSA-NXEZZACHSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccnc(OCC(F)F)c2)n[n-]1 ZINC000616174036 492119983 /nfs/dbraw/zinc/11/99/83/492119983.db2.gz VYEOKRGQQADZQH-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccnc(OCC(F)F)c2)n1 ZINC000616174036 492119986 /nfs/dbraw/zinc/11/99/86/492119986.db2.gz VYEOKRGQQADZQH-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc4nccn4c3)cnc21 ZINC000607058197 492137515 /nfs/dbraw/zinc/13/75/15/492137515.db2.gz BUJRCLGRHDQGHE-UHFFFAOYSA-N -1 1 372.366 0.483 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)on1 ZINC000599265404 492151632 /nfs/dbraw/zinc/15/16/32/492151632.db2.gz JVJSIZSOUXKSPJ-SSDOTTSWSA-N -1 1 360.310 0.584 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607342494 492144289 /nfs/dbraw/zinc/14/42/89/492144289.db2.gz CHSSACXADMBRAI-HNNXBMFYSA-N -1 1 356.430 0.986 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2nc(C)no2)c1F ZINC000599224904 492145369 /nfs/dbraw/zinc/14/53/69/492145369.db2.gz BTUQFCNJHAXNKL-UHFFFAOYSA-N -1 1 361.326 0.964 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCNC1=O ZINC000616971959 492150989 /nfs/dbraw/zinc/15/09/89/492150989.db2.gz ZDERWISHCLXJTP-VIFPVBQESA-N -1 1 366.226 0.276 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H](CCOC)C(=O)OC)CCOCC1 ZINC000599309902 492158646 /nfs/dbraw/zinc/15/86/46/492158646.db2.gz LMXFEMMGWGQYSK-LBPRGKRZSA-N -1 1 353.437 0.070 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)on1 ZINC000599327422 492160781 /nfs/dbraw/zinc/16/07/81/492160781.db2.gz HJQMVOYXXPVUSC-KOLCDFICSA-N -1 1 368.358 0.819 10 0 FCAEMM C[C@@H]1CC(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H](C)C1 ZINC000617666714 492179596 /nfs/dbraw/zinc/17/95/96/492179596.db2.gz PYPDORCJWZMXBB-QWRGUYRKSA-N -1 1 371.459 0.845 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)N(C)C3CC3)CC2)n1 ZINC000618189900 492214849 /nfs/dbraw/zinc/21/48/49/492214849.db2.gz UBWUHISPEXCCIX-UHFFFAOYSA-N -1 1 357.436 0.500 10 0 FCAEMM CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000600247108 492253848 /nfs/dbraw/zinc/25/38/48/492253848.db2.gz YJMPGAVQVCDOBN-LLVKDONJSA-N -1 1 363.326 0.792 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC000647578694 492321945 /nfs/dbraw/zinc/32/19/45/492321945.db2.gz VDUHPAWABXRJFN-OIISXLGYSA-N -1 1 373.453 0.946 10 0 FCAEMM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585086 492325504 /nfs/dbraw/zinc/32/55/04/492325504.db2.gz BPKOXLJESMUCGY-XLNGHYISSA-N -1 1 373.453 0.993 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)o1 ZINC000634237348 492328703 /nfs/dbraw/zinc/32/87/03/492328703.db2.gz BCGQUBOYKKIECT-JGVFFNPUSA-N -1 1 356.322 0.431 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000655242526 492418972 /nfs/dbraw/zinc/41/89/72/492418972.db2.gz AUAQGWPESWJBLV-UTUOFQBUSA-N -1 1 359.448 0.415 10 0 FCAEMM CN1CC[C@H](C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)S1(=O)=O ZINC000648824308 492462744 /nfs/dbraw/zinc/46/27/44/492462744.db2.gz NZBDWTDBDQYJSW-OAHLLOKOSA-N -1 1 366.439 0.847 10 0 FCAEMM O=C(c1s[n-]c(=O)c1Cl)N1CCC(O)(CN2CCOCC2)CC1 ZINC000622481386 492475445 /nfs/dbraw/zinc/47/54/45/492475445.db2.gz RHZPCPXBRZFUMT-UHFFFAOYSA-N -1 1 361.851 0.801 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)nc2n1 ZINC000622872072 492491596 /nfs/dbraw/zinc/49/15/96/492491596.db2.gz UNZOBCVSECNRKN-NSHDSACASA-N -1 1 358.402 0.846 10 0 FCAEMM C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000656002793 492511418 /nfs/dbraw/zinc/51/14/18/492511418.db2.gz JZLPFVPFVGWQFE-AAEUAGOBSA-N -1 1 371.397 0.972 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3cncn3C2)o1 ZINC000623274760 492537231 /nfs/dbraw/zinc/53/72/31/492537231.db2.gz UDBXBTWMGJOUSN-JTQLQIEISA-N -1 1 352.416 0.908 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629213625 492592064 /nfs/dbraw/zinc/59/20/64/492592064.db2.gz QUCXCVVUBVIFMP-BETUJISGSA-N -1 1 355.398 0.817 10 0 FCAEMM COCCOCCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000650382698 492636680 /nfs/dbraw/zinc/63/66/80/492636680.db2.gz PVKLUUJXDNSCNZ-UHFFFAOYSA-N -1 1 360.414 0.344 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387503 492636938 /nfs/dbraw/zinc/63/69/38/492636938.db2.gz NTDZQHXLIYZGGT-SECBINFHSA-N -1 1 364.305 0.798 10 0 FCAEMM O=S(=O)([N-]CCCN1CCOCC1)c1ncccc1Br ZINC000656859252 492652938 /nfs/dbraw/zinc/65/29/38/492652938.db2.gz OAXNJMRVNPKEML-UHFFFAOYSA-N -1 1 364.265 0.845 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)C1CCOCC1)c1ncccc1Br ZINC000656912692 492667422 /nfs/dbraw/zinc/66/74/22/492667422.db2.gz FPVJITVPUWBDQZ-LLVKDONJSA-N -1 1 365.249 0.910 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1CCOC1 ZINC000656955418 492677778 /nfs/dbraw/zinc/67/77/78/492677778.db2.gz GEJHQACKWUTLNU-BYCMXARLSA-N -1 1 372.418 0.512 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O)[C@@H]1CCOC1 ZINC000656957227 492678600 /nfs/dbraw/zinc/67/86/00/492678600.db2.gz OYSCLZSKGPSMGS-BPLDGKMQSA-N -1 1 354.428 0.373 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000656975360 492684090 /nfs/dbraw/zinc/68/40/90/492684090.db2.gz LMUZWPLMESFWKN-SFYZADRCSA-N -1 1 359.326 0.559 10 0 FCAEMM CCN1C[C@H](C[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000657022394 492696851 /nfs/dbraw/zinc/69/68/51/492696851.db2.gz GYLJRUJPXRNMHG-VIFPVBQESA-N -1 1 362.249 0.991 10 0 FCAEMM C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1(C)C ZINC000657087678 492713621 /nfs/dbraw/zinc/71/36/21/492713621.db2.gz UDYYHUVCPOTXIC-ZBEGNZNMSA-N -1 1 357.476 0.825 10 0 FCAEMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccn(C3CCOCC3)n2)CC1 ZINC000630226100 492729692 /nfs/dbraw/zinc/72/96/92/492729692.db2.gz AJYXQOHCDHEAOH-UHFFFAOYSA-N -1 1 350.419 0.856 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000630845225 492778365 /nfs/dbraw/zinc/77/83/65/492778365.db2.gz RGYXFPNGMXAGBO-CQSZACIVSA-N -1 1 364.837 0.975 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630914557 492784833 /nfs/dbraw/zinc/78/48/33/492784833.db2.gz DVNFXHCIODWGCR-GFCCVEGCSA-N -1 1 353.806 0.441 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O)C1CCOCC1 ZINC000625521651 492809768 /nfs/dbraw/zinc/80/97/68/492809768.db2.gz KZYHJTCLWNERBL-HZPDHXFCSA-N -1 1 368.455 0.911 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000651828616 492828770 /nfs/dbraw/zinc/82/87/70/492828770.db2.gz VGBDTHJYHJKFIY-LBPRGKRZSA-N -1 1 355.391 0.653 10 0 FCAEMM CCc1cccc(CNC(=O)C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000652477249 492946479 /nfs/dbraw/zinc/94/64/79/492946479.db2.gz JVYFWWXOHMBXAH-UHFFFAOYSA-N -1 1 374.470 0.478 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)C1CCOCC1 ZINC000645686206 492959947 /nfs/dbraw/zinc/95/99/47/492959947.db2.gz ADDWFKFFBFFYAU-VIFPVBQESA-N -1 1 373.353 0.949 10 0 FCAEMM Cn1cnc(CCC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1 ZINC000645803935 492976001 /nfs/dbraw/zinc/97/60/01/492976001.db2.gz RGDBUDGWYNUCOU-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)c(=O)n(C)c1=O ZINC000645812038 492977470 /nfs/dbraw/zinc/97/74/70/492977470.db2.gz IKMXVRURQQVEJN-AWEZNQCLSA-N -1 1 355.460 0.721 10 0 FCAEMM CCc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000652924388 493043399 /nfs/dbraw/zinc/04/33/99/493043399.db2.gz GSGVFIOLIJHBRK-UHFFFAOYSA-N -1 1 365.411 0.536 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c(=O)c2c(OC)c1 ZINC000626916448 493062420 /nfs/dbraw/zinc/06/24/20/493062420.db2.gz DFZZCFRDZJKJLE-SNVBAGLBSA-N -1 1 359.382 0.848 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn3c(n2)COCC3)c1 ZINC000627407884 493205811 /nfs/dbraw/zinc/20/58/11/493205811.db2.gz IBGYFRNIRADOIW-UHFFFAOYSA-N -1 1 352.372 0.279 10 0 FCAEMM CN1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@@H]1c1ccccc1 ZINC000659658327 493235290 /nfs/dbraw/zinc/23/52/90/493235290.db2.gz MZDSKGVFKCHRDO-CABCVRRESA-N -1 1 359.426 0.919 10 0 FCAEMM Cc1cccc(NC(=O)[C@@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC000662206775 493496063 /nfs/dbraw/zinc/49/60/63/493496063.db2.gz SHVKDSLITQLCIM-KGLIPLIRSA-N -1 1 360.414 0.726 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000662219582 493497397 /nfs/dbraw/zinc/49/73/97/493497397.db2.gz DCGWBYRNVIWDAM-PIGZYNQJSA-N -1 1 359.338 0.998 10 0 FCAEMM CN(CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)Cc1ccccc1 ZINC000663620913 493604997 /nfs/dbraw/zinc/60/49/97/493604997.db2.gz SGKBCISYPADLBT-INIZCTEOSA-N -1 1 361.442 0.852 10 0 FCAEMM Cc1nc([C@H]2CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)n[nH]1 ZINC000663634217 493607761 /nfs/dbraw/zinc/60/77/61/493607761.db2.gz DSGFMVIWPCVIDC-STQMWFEESA-N -1 1 363.418 0.436 10 0 FCAEMM CCC[C@@H](O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000678374784 493642162 /nfs/dbraw/zinc/64/21/62/493642162.db2.gz ZDMWBGNBQYMESS-GFCCVEGCSA-N -1 1 372.443 0.903 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)nc1=O ZINC000680391910 493715144 /nfs/dbraw/zinc/71/51/44/493715144.db2.gz YIPLPKTXIKTXKR-CYBMUJFWSA-N -1 1 351.432 0.515 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000601330027 546589675 /nfs/dbraw/zinc/58/96/75/546589675.db2.gz PBWIEZYVSKULMN-DZGCQCFKSA-N -1 1 352.412 0.583 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1ccnn1C ZINC000592094060 546611317 /nfs/dbraw/zinc/61/13/17/546611317.db2.gz ANECDNAQOHZCIO-ZDUSSCGKSA-N -1 1 353.404 0.074 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c1F ZINC000594469344 546790716 /nfs/dbraw/zinc/79/07/16/546790716.db2.gz VFJIHZFIXVWQJO-WRXNHJIOSA-N -1 1 364.782 0.808 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@@H](OC)C2)o1 ZINC000594806420 546828843 /nfs/dbraw/zinc/82/88/43/546828843.db2.gz ADGSZSKVFJBTQL-QJPTWQEYSA-N -1 1 361.416 0.911 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000235404536 547020945 /nfs/dbraw/zinc/02/09/45/547020945.db2.gz HNTHZEINDJAOHR-NSHDSACASA-N -1 1 351.140 0.470 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)co2)[C@@H]1n1cccn1 ZINC000550015724 547076708 /nfs/dbraw/zinc/07/67/08/547076708.db2.gz ZZCLAPBNZAEGDM-BZPMIXESSA-N -1 1 369.399 0.960 10 0 FCAEMM O=C(COC(F)F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000552134888 547189913 /nfs/dbraw/zinc/18/99/13/547189913.db2.gz LGVRWSNAJPCDRK-UHFFFAOYSA-N -1 1 366.342 0.591 10 0 FCAEMM COC(=O)c1cn(CCNC(=O)c2cc(Cl)c([O-])c(OC)c2)nn1 ZINC000552418490 547207760 /nfs/dbraw/zinc/20/77/60/547207760.db2.gz BKMRTFMTEYMLHE-UHFFFAOYSA-N -1 1 354.750 0.862 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000553470114 547280748 /nfs/dbraw/zinc/28/07/48/547280748.db2.gz CYLMVJIEMHUEDK-LLVKDONJSA-N -1 1 366.443 0.676 10 0 FCAEMM COCCNS(=O)(=O)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491722225 547390588 /nfs/dbraw/zinc/39/05/88/547390588.db2.gz XCNDXJQBVDKPNH-UHFFFAOYSA-N -1 1 360.395 0.910 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)N1CCN(C)CC1 ZINC000866857301 663466948 /nfs/dbraw/zinc/46/69/48/663466948.db2.gz DKOUKOXYSFFVRF-LFVRLGFBSA-N -1 1 374.532 0.614 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c1C(F)(F)F ZINC000866916174 665159685 /nfs/dbraw/zinc/15/96/85/665159685.db2.gz QLGSMVYLXQJPEW-ZETCQYMHSA-N -1 1 352.338 0.481 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ncccc2F)C1 ZINC000866945276 665232312 /nfs/dbraw/zinc/23/23/12/665232312.db2.gz KRTHMKMMZXJOOP-CHNSCGDPSA-N -1 1 350.441 0.752 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCOC1 ZINC000866947318 665237994 /nfs/dbraw/zinc/23/79/94/665237994.db2.gz NVOAPNZNVVFEMC-LLVKDONJSA-N -1 1 355.199 0.999 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000908712144 666216054 /nfs/dbraw/zinc/21/60/54/666216054.db2.gz ABCGWNDVWRUGDD-PMPSAXMXSA-N -1 1 352.479 0.766 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC000908732009 666216568 /nfs/dbraw/zinc/21/65/68/666216568.db2.gz IZIRLRPZNYENJY-WCVJEAGWSA-N -1 1 352.479 0.622 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)n2)CC1 ZINC000911161719 666318432 /nfs/dbraw/zinc/31/84/32/666318432.db2.gz ONQAHXRAGODBCJ-LLVKDONJSA-N -1 1 360.336 0.969 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CCCN2CCSC[C@@H]12 ZINC000921322614 666432979 /nfs/dbraw/zinc/43/29/79/666432979.db2.gz VQWXSJSQIOVMEQ-RYUDHWBXSA-N -1 1 353.535 0.662 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(CO)COCCN2C)c(F)c1 ZINC000921339079 666436609 /nfs/dbraw/zinc/43/66/09/666436609.db2.gz WSAQAOMTMFHDSP-CQSZACIVSA-N -1 1 350.387 0.245 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000921379901 666442323 /nfs/dbraw/zinc/44/23/23/666442323.db2.gz UZBOOFOZMBKXKU-AWEZNQCLSA-N -1 1 357.428 0.662 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)OC)CC1=O ZINC000921381748 666442713 /nfs/dbraw/zinc/44/27/13/666442713.db2.gz MIZIQTBYLWMMMB-ZIAGYGMSSA-N -1 1 372.418 0.450 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000921385016 666443086 /nfs/dbraw/zinc/44/30/86/666443086.db2.gz BCOFBQUSWXWTMO-AWEZNQCLSA-N -1 1 363.407 0.491 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCS(=O)(=O)C1 ZINC000921465720 666448973 /nfs/dbraw/zinc/44/89/73/666448973.db2.gz MJQUQUOVDOFNGO-LBPRGKRZSA-N -1 1 355.384 0.447 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCS(=O)(=O)C1 ZINC000921466959 666449964 /nfs/dbraw/zinc/44/99/64/666449964.db2.gz LOFJQRACPQJTNV-ZDUSSCGKSA-N -1 1 369.411 0.755 10 0 FCAEMM CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000921433574 666450870 /nfs/dbraw/zinc/45/08/70/666450870.db2.gz QNZJCIVACSQFTK-GTJPDFRWSA-N -1 1 355.526 0.828 10 0 FCAEMM C/C(=C\C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)CN1CCOCC1 ZINC000913779857 666650826 /nfs/dbraw/zinc/65/08/26/666650826.db2.gz KFXGBINCBXDHEJ-SAAWKEMMSA-N -1 1 363.380 0.934 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)Cc1ccsc1Br)C(N)=O ZINC000914303403 666737175 /nfs/dbraw/zinc/73/71/75/666737175.db2.gz YQEFIXZECSCJOM-ZETCQYMHSA-N -1 1 357.251 0.430 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1ccc(Br)o1 ZINC000917055665 667049024 /nfs/dbraw/zinc/04/90/24/667049024.db2.gz KSPLOCLGDFIFSJ-SNVBAGLBSA-N -1 1 364.265 0.710 10 0 FCAEMM CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC000736664464 667127142 /nfs/dbraw/zinc/12/71/42/667127142.db2.gz LTHBGPVFYKSFMC-UHFFFAOYSA-N -1 1 353.379 0.942 10 0 FCAEMM CCO[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)CN(C)C ZINC000921636455 667161225 /nfs/dbraw/zinc/16/12/25/667161225.db2.gz OWIHSBXBQHCQED-XMHCIUCPSA-N -1 1 363.505 0.944 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@@H]2CNC(=O)C2)c(Br)n1C ZINC000921656212 667211013 /nfs/dbraw/zinc/21/10/13/667211013.db2.gz UXHQSXVYFVXOTB-QMMMGPOBSA-N -1 1 365.253 0.296 10 0 FCAEMM NC(=O)c1cc(C[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)on1 ZINC000752002795 667499571 /nfs/dbraw/zinc/49/95/71/667499571.db2.gz JZKXJHLGBTUWJE-UHFFFAOYSA-N -1 1 355.763 0.553 10 0 FCAEMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCCOC(C)=O)(C(=O)OC)C1(C)C ZINC000805072627 667613866 /nfs/dbraw/zinc/61/38/66/667613866.db2.gz SHCWPFJNPLYHDL-WFASDCNBSA-N -1 1 365.448 0.606 10 0 FCAEMM Cn1ncc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000805104712 667691493 /nfs/dbraw/zinc/69/14/93/667691493.db2.gz ZCYJBYHEGSMRHP-UHFFFAOYSA-N -1 1 366.371 0.290 10 0 FCAEMM CS(=O)(=O)N1CC[C@H](NC(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000923071282 667804945 /nfs/dbraw/zinc/80/49/45/667804945.db2.gz XFMXHTALPTYUOB-VIFPVBQESA-N -1 1 363.386 0.546 10 0 FCAEMM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866992499 667950523 /nfs/dbraw/zinc/95/05/23/667950523.db2.gz NFEXDIFHCIXTHM-UHFFFAOYSA-N -1 1 356.370 0.880 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000788148094 668005340 /nfs/dbraw/zinc/00/53/40/668005340.db2.gz LQNWRXWLPXIVNN-SNVBAGLBSA-N -1 1 352.445 0.828 10 0 FCAEMM CC[S@@](=O)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000741420855 668019759 /nfs/dbraw/zinc/01/97/59/668019759.db2.gz LILCXMGKVUUAAJ-JOCHJYFZSA-N -1 1 363.461 0.957 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCOCCS(C)(=O)=O)cnc2n1 ZINC000743634070 668049900 /nfs/dbraw/zinc/04/99/00/668049900.db2.gz VLJYLZMCDAANIE-UHFFFAOYSA-N -1 1 353.400 0.435 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCOCCS(C)(=O)=O)c2=O ZINC000743634070 668049903 /nfs/dbraw/zinc/04/99/03/668049903.db2.gz VLJYLZMCDAANIE-UHFFFAOYSA-N -1 1 353.400 0.435 10 0 FCAEMM O=C(Cn1ccc(=O)c2ccccc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773154527 668076027 /nfs/dbraw/zinc/07/60/27/668076027.db2.gz RTJNBBZZDHYDGB-CYBMUJFWSA-N -1 1 356.411 0.831 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c(=O)[nH]c1=O ZINC000769655447 668146736 /nfs/dbraw/zinc/14/67/36/668146736.db2.gz AHMIMCGUSFKQRR-GFCCVEGCSA-N -1 1 361.464 0.824 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)c(=O)[nH]c1=O ZINC000769656501 668147073 /nfs/dbraw/zinc/14/70/73/668147073.db2.gz GXTMISIMHDVALG-VXGBXAGGSA-N -1 1 361.464 0.824 10 0 FCAEMM CN1CCCc2ccc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)cc21 ZINC000776687463 668286387 /nfs/dbraw/zinc/28/63/87/668286387.db2.gz ZJVHHOPVCLXJBW-UHFFFAOYSA-N -1 1 367.471 0.850 10 0 FCAEMM COc1cc(OC)c(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c(OC)c1 ZINC000777603604 668332174 /nfs/dbraw/zinc/33/21/74/668332174.db2.gz QKFWGVWVJHBQBR-UHFFFAOYSA-N -1 1 370.387 0.816 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)o1 ZINC000772927834 668336235 /nfs/dbraw/zinc/33/62/35/668336235.db2.gz VXGFDVQBGUHILL-QWRGUYRKSA-N -1 1 373.431 0.784 10 0 FCAEMM CCC(=O)N1CC[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782641098 668573120 /nfs/dbraw/zinc/57/31/20/668573120.db2.gz ABTLQYHWADVMDY-JTQLQIEISA-N -1 1 354.325 0.483 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nnc(C3CCC3)n2C)co1 ZINC000783176014 668601397 /nfs/dbraw/zinc/60/13/97/668601397.db2.gz NOZJCMSZNQQHTH-UHFFFAOYSA-N -1 1 354.388 0.941 10 0 FCAEMM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1ccc(Br)o1 ZINC000786873570 668779611 /nfs/dbraw/zinc/77/96/11/668779611.db2.gz BJGYKCPWNVLCIJ-UHFFFAOYSA-N -1 1 358.235 0.755 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000795057285 669006485 /nfs/dbraw/zinc/00/64/85/669006485.db2.gz PNSUNKKCHHYYPY-MRVPVSSYSA-N -1 1 373.435 0.792 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000795057285 669006491 /nfs/dbraw/zinc/00/64/91/669006491.db2.gz PNSUNKKCHHYYPY-MRVPVSSYSA-N -1 1 373.435 0.792 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)ccnc1-2 ZINC000806493039 669417571 /nfs/dbraw/zinc/41/75/71/669417571.db2.gz NYWJMYFCOVPASW-CMPLNLGQSA-N -1 1 366.447 0.181 10 0 FCAEMM COC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807708789 669509689 /nfs/dbraw/zinc/50/96/89/669509689.db2.gz QJWYQNNIAQGRNK-QXEWZRGKSA-N -1 1 353.341 0.989 10 0 FCAEMM C[C@H]1CCN(C(=O)CN2CSCC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705883 669509771 /nfs/dbraw/zinc/50/97/71/669509771.db2.gz CFVJWBIZDQMVTL-AUTRQRHGSA-N -1 1 367.393 0.823 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707361 669509939 /nfs/dbraw/zinc/50/99/39/669509939.db2.gz BQKCPEKATUTZEZ-NAKRPEOUSA-N -1 1 372.409 0.971 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000828145062 669619846 /nfs/dbraw/zinc/61/98/46/669619846.db2.gz VXUXAHUHXFMLCT-UHFFFAOYSA-N -1 1 374.419 0.598 10 0 FCAEMM O=C(Cn1nnn(C2CC2)c1=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000809976992 669655013 /nfs/dbraw/zinc/65/50/13/669655013.db2.gz ZUUGDWBZXMWBIQ-UHFFFAOYSA-N -1 1 353.285 0.333 10 0 FCAEMM CN1CC[C@@H](C(=O)OCc2cc(=O)oc3cc([O-])ccc23)S1(=O)=O ZINC000830177724 669764360 /nfs/dbraw/zinc/76/43/60/669764360.db2.gz POCQEFYJAGZSCJ-ZDUSSCGKSA-N -1 1 353.352 0.576 10 0 FCAEMM Cc1nnc(C[N-]S(=O)(=O)c2cn(C)nc2Br)s1 ZINC000867071927 669844597 /nfs/dbraw/zinc/84/45/97/669844597.db2.gz PAFLYVGSYZNYFA-UHFFFAOYSA-N -1 1 352.239 0.821 10 0 FCAEMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000867071968 669846925 /nfs/dbraw/zinc/84/69/25/669846925.db2.gz QAYISXQXHYOZEU-MYODQAERSA-N -1 1 371.484 0.989 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837283650 670093528 /nfs/dbraw/zinc/09/35/28/670093528.db2.gz GFMKGGGRKPFSFX-AWEZNQCLSA-N -1 1 351.384 0.925 10 0 FCAEMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000841535281 670583501 /nfs/dbraw/zinc/58/35/01/670583501.db2.gz QSQKZNDGIAJRDY-CYBMUJFWSA-N -1 1 352.412 0.382 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccn(CC(F)F)n2)CCC1 ZINC000843013953 670765921 /nfs/dbraw/zinc/76/59/21/670765921.db2.gz BUQHEMXHIUXLDZ-UHFFFAOYSA-N -1 1 350.391 0.692 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3ncncc3C2)CCC1 ZINC000843013195 670765957 /nfs/dbraw/zinc/76/59/57/670765957.db2.gz BSDMOVHYQDTALX-GFCCVEGCSA-N -1 1 352.460 0.512 10 0 FCAEMM CCOC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)nc1 ZINC000843015476 670766751 /nfs/dbraw/zinc/76/67/51/670766751.db2.gz XGIBIRMAXLCRNZ-UHFFFAOYSA-N -1 1 369.443 0.802 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnc3c(cnn3C)c2)CCC1 ZINC000843016226 670767081 /nfs/dbraw/zinc/76/70/81/670767081.db2.gz MULAYUMNAYGLEC-UHFFFAOYSA-N -1 1 351.432 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC1 ZINC000843017262 670767424 /nfs/dbraw/zinc/76/74/24/670767424.db2.gz AXKSXVRNDWBGJX-CQSZACIVSA-N -1 1 371.503 0.565 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@@H](C(=O)NN2CC(=O)[N-]C2=O)CC[C@H]1C1CC1 ZINC000845219594 670980627 /nfs/dbraw/zinc/98/06/27/670980627.db2.gz MGKFGTSWYCWBLU-WDEREUQCSA-N -1 1 352.391 0.748 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)c1C(F)(F)F ZINC000867406297 671089061 /nfs/dbraw/zinc/08/90/61/671089061.db2.gz JKLMWZWYHJFROL-BDAKNGLRSA-N -1 1 357.354 0.505 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCS(=O)(=O)C2CC2)c1C(F)(F)F ZINC000867407559 671092612 /nfs/dbraw/zinc/09/26/12/671092612.db2.gz VBSNENHBRVIMMP-UHFFFAOYSA-N -1 1 361.367 0.294 10 0 FCAEMM CN1CC[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000867428064 671122894 /nfs/dbraw/zinc/12/28/94/671122894.db2.gz CVSFVYCQNWZULU-VERVWZFWSA-N -1 1 359.473 0.846 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000848339644 671270334 /nfs/dbraw/zinc/27/03/34/671270334.db2.gz ABSALOWZKPFHKK-JLLWLGSASA-N -1 1 362.352 0.382 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848475008 671279561 /nfs/dbraw/zinc/27/95/61/671279561.db2.gz IDGSSBVDDGZBJN-MXWKQRLJSA-N -1 1 350.872 0.850 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c(C(F)(F)F)n1 ZINC000848514658 671283310 /nfs/dbraw/zinc/28/33/10/671283310.db2.gz QLDQTVHGCVCBJB-MRVPVSSYSA-N -1 1 368.337 0.700 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1cccc(Cl)n1 ZINC000848957677 671306159 /nfs/dbraw/zinc/30/61/59/671306159.db2.gz TXGLOIGJHQALBB-UHFFFAOYSA-N -1 1 369.852 0.834 10 0 FCAEMM O=C1OCCN1CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000849373335 671330568 /nfs/dbraw/zinc/33/05/68/671330568.db2.gz BHTRHFNYVZOXEF-UHFFFAOYSA-N -1 1 364.221 0.965 10 0 FCAEMM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2ncccc2Br)cn1 ZINC000849377280 671331461 /nfs/dbraw/zinc/33/14/61/671331461.db2.gz DSFJBXOTDUZNMF-JTQLQIEISA-N -1 1 361.221 0.590 10 0 FCAEMM CN(C1CCOCC1)S(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000849448074 671347615 /nfs/dbraw/zinc/34/76/15/671347615.db2.gz ZIIKEVXPYQVJKA-HNNXBMFYSA-N -1 1 364.464 0.432 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000851501663 671445024 /nfs/dbraw/zinc/44/50/24/671445024.db2.gz ARUJRPBHKCYPNF-AWEZNQCLSA-N -1 1 350.481 0.604 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc[n+]1[O-] ZINC000851699374 671459688 /nfs/dbraw/zinc/45/96/88/671459688.db2.gz BTWOHAUGCUMCQD-SCZZXKLOSA-N -1 1 361.276 0.056 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1C ZINC000851701755 671460812 /nfs/dbraw/zinc/46/08/12/671460812.db2.gz HYEPSNSXPLYDQY-PSASIEDQSA-N -1 1 362.308 0.465 10 0 FCAEMM C[C@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000855748766 671662908 /nfs/dbraw/zinc/66/29/08/671662908.db2.gz PYSPBFDUWQCNKC-LPEHRKFASA-N -1 1 368.352 0.747 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000856762068 671700564 /nfs/dbraw/zinc/70/05/64/671700564.db2.gz AZQWHDVHNWSHQW-UHFFFAOYSA-N -1 1 350.706 0.294 10 0 FCAEMM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859008535 671789006 /nfs/dbraw/zinc/78/90/06/671789006.db2.gz WCFXLVPHGGTMHU-SNVBAGLBSA-N -1 1 357.201 0.659 10 0 FCAEMM NC(=O)CCCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859095530 671793517 /nfs/dbraw/zinc/79/35/17/671793517.db2.gz SSDGCCJGGDIYTH-UHFFFAOYSA-N -1 1 354.201 0.917 10 0 FCAEMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859148027 671796447 /nfs/dbraw/zinc/79/64/47/671796447.db2.gz OALFQXAETSENCO-HZGVNTEJSA-N -1 1 366.212 0.786 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nccnc2Cl)on1 ZINC000859152945 671796751 /nfs/dbraw/zinc/79/67/51/671796751.db2.gz SVZQXUYGWIZKNQ-UHFFFAOYSA-N -1 1 360.779 0.914 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCCC23OCCO3)on1 ZINC000859226571 671802668 /nfs/dbraw/zinc/80/26/68/671802668.db2.gz NKRXGUWNDJCDBA-GFCCVEGCSA-N -1 1 360.388 0.566 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(Br)n1C ZINC000859286689 671810143 /nfs/dbraw/zinc/81/01/43/671810143.db2.gz IXUQDUZQXTZJJP-BDAKNGLRSA-N -1 1 368.253 0.309 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000860230233 671876108 /nfs/dbraw/zinc/87/61/08/671876108.db2.gz FESLZXQHOSBOON-KOLCDFICSA-N -1 1 358.370 0.747 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000861024995 671933665 /nfs/dbraw/zinc/93/36/65/671933665.db2.gz BGWIUQIMNAKGOM-NSHDSACASA-N -1 1 366.447 0.135 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)O1 ZINC000862145720 672030992 /nfs/dbraw/zinc/03/09/92/672030992.db2.gz NTEAWDAEXMDKCV-DBIOUOCHSA-N -1 1 366.336 0.765 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000863827966 672156890 /nfs/dbraw/zinc/15/68/90/672156890.db2.gz ODLKWGHAWVDMOR-JTQLQIEISA-N -1 1 369.472 0.419 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2nnc3n2CCC3)c1C(F)(F)F ZINC000866443781 672274041 /nfs/dbraw/zinc/27/40/41/672274041.db2.gz UUHQYHVPDRPPLX-UHFFFAOYSA-N -1 1 350.326 0.455 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC[S@@](=O)Cc1ccccc1 ZINC000866754911 672298847 /nfs/dbraw/zinc/29/88/47/672298847.db2.gz MSEDOFLWXYRLKY-WOJBJXKFSA-N -1 1 352.503 0.887 10 0 FCAEMM CCn1cnnc1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866805861 672309322 /nfs/dbraw/zinc/30/93/22/672309322.db2.gz FQTUQRORNNGEPZ-UHFFFAOYSA-N -1 1 352.342 0.571 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c1C(F)(F)F ZINC000867685964 672354786 /nfs/dbraw/zinc/35/47/86/672354786.db2.gz LORDZGNRPDEBRQ-UHFFFAOYSA-N -1 1 362.337 0.396 10 0 FCAEMM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000867761264 672364422 /nfs/dbraw/zinc/36/44/22/672364422.db2.gz ZLJKQRFEIOQXNF-UONOGXRCSA-N -1 1 358.460 0.957 10 0 FCAEMM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3sccc3Cl)COCCN12 ZINC000867790327 672367722 /nfs/dbraw/zinc/36/77/22/672367722.db2.gz SUPJAIWPSRBCOB-GFCCVEGCSA-N -1 1 366.848 0.308 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC000868281890 672392236 /nfs/dbraw/zinc/39/22/36/672392236.db2.gz VVGKPMPTHHLLIT-CYBMUJFWSA-N -1 1 366.340 0.681 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC[C@]2(O)CCOC2)C1 ZINC000868746705 672409246 /nfs/dbraw/zinc/40/92/46/672409246.db2.gz NDBPLOXDECDRRQ-OLZOCXBDSA-N -1 1 353.341 0.380 10 0 FCAEMM CN1CCOC[C@@H]1CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868812082 672410772 /nfs/dbraw/zinc/41/07/72/672410772.db2.gz VAJYIZUYZAWHBM-GXFFZTMASA-N -1 1 352.357 0.170 10 0 FCAEMM CO[C@H]1COCC[C@H]1CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869530361 672438238 /nfs/dbraw/zinc/43/82/38/672438238.db2.gz NPHDQLSCMDXPAX-ONGXEEELSA-N -1 1 355.309 0.609 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)C1 ZINC000869538764 672438369 /nfs/dbraw/zinc/43/83/69/672438369.db2.gz PAQARAGDXTTXJN-BDAKNGLRSA-N -1 1 353.293 0.757 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C/COC2CCOCC2)CCC1 ZINC000870447628 672493152 /nfs/dbraw/zinc/49/31/52/672493152.db2.gz VLNCJUCUBYSGKJ-HWKANZROSA-N -1 1 360.476 0.669 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CNOC2)c1F ZINC000923731577 673739296 /nfs/dbraw/zinc/73/92/96/673739296.db2.gz WZPVJISXPWZUPK-LURJTMIESA-N -1 1 355.185 0.779 10 0 FCAEMM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000926331592 673823805 /nfs/dbraw/zinc/82/38/05/673823805.db2.gz GSHJJKJHXFIAFZ-KDOFPFPSSA-N -1 1 351.447 0.785 10 0 FCAEMM COC(=O)c1c(NC(=O)c2ccc(OC(F)F)nc2)n[n-]c1OCCO ZINC001648869810 1169089057 /nfs/dbraw/zinc/08/90/57/1169089057.db2.gz YOKBVOLBQXCVJE-UHFFFAOYSA-N -1 1 372.284 0.816 10 0 FCAEMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1ccc(OC(F)F)nc1 ZINC001648869810 1169089066 /nfs/dbraw/zinc/08/90/66/1169089066.db2.gz YOKBVOLBQXCVJE-UHFFFAOYSA-N -1 1 372.284 0.816 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1O)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001167469807 1170386813 /nfs/dbraw/zinc/38/68/13/1170386813.db2.gz AJKFHYVJWMHXEN-LBPRGKRZSA-N -1 1 373.365 0.123 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCN2CCOCC2)CCN1C(=O)c1ncccc1[O-] ZINC001719629663 1170850547 /nfs/dbraw/zinc/85/05/47/1170850547.db2.gz ZLDYAYJUBJRJMR-KGLIPLIRSA-N -1 1 362.430 0.229 10 0 FCAEMM CCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001267482153 1181317296 /nfs/dbraw/zinc/31/72/96/1181317296.db2.gz OOVRAJHBMXBINA-TUVASFSCSA-N -1 1 363.462 0.489 10 0 FCAEMM COc1cccc(CC(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC001625928073 1188111956 /nfs/dbraw/zinc/11/19/56/1188111956.db2.gz SWQOKVGDMUVVBB-UHFFFAOYSA-N -1 1 358.402 0.054 10 0 FCAEMM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000593859331 1196666127 /nfs/dbraw/zinc/66/61/27/1196666127.db2.gz ZOJCMSBVSRIYSZ-VIFPVBQESA-N -1 1 369.374 0.517 10 0 FCAEMM Cc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1C(=O)N1CCOCC1 ZINC000786119402 1200820884 /nfs/dbraw/zinc/82/08/84/1200820884.db2.gz BGIXTXXEWMOPKN-UHFFFAOYSA-N -1 1 361.358 0.056 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC[C@H]3CCCC[C@H]3O)ccnc1-2 ZINC000806945279 1202799349 /nfs/dbraw/zinc/79/93/49/1202799349.db2.gz SRWHHMCUXPNCNV-IUODEOHRSA-N -1 1 359.430 0.728 10 0 FCAEMM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806942716 1202799390 /nfs/dbraw/zinc/79/93/90/1202799390.db2.gz DBHIWNPFHKXIDC-AWEZNQCLSA-N -1 1 372.429 0.140 10 0 FCAEMM CC[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@]2(CCOC2)O1 ZINC000807070648 1202810632 /nfs/dbraw/zinc/81/06/32/1202810632.db2.gz VLYXLGYQGPQZIB-SGTLLEGYSA-N -1 1 373.413 0.077 10 0 FCAEMM COC1(c2ccccc2)CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000807426790 1202825861 /nfs/dbraw/zinc/82/58/61/1202825861.db2.gz WMWSJUZPKXGWRN-UHFFFAOYSA-N -1 1 365.393 0.664 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)nc2n1 ZINC000813377583 1202994247 /nfs/dbraw/zinc/99/42/47/1202994247.db2.gz HTBOYSVNMDLPTB-QGZVFWFLSA-N -1 1 353.338 0.836 10 0 FCAEMM Cn1ccnc1CNc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC001136655652 1203244644 /nfs/dbraw/zinc/24/46/44/1203244644.db2.gz CLRBXWRQDHOZOD-AWEZNQCLSA-N -1 1 368.401 0.759 10 0 FCAEMM CC(C)(C)c1nc(CN2CCCN(C(=O)CCc3nn[n-]n3)CC2)no1 ZINC001147361380 1204777223 /nfs/dbraw/zinc/77/72/23/1204777223.db2.gz NBYZAUKHVVIQCH-UHFFFAOYSA-N -1 1 362.438 0.547 10 0 FCAEMM COCCn1nc(C)c(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)c1C ZINC001148820301 1204841970 /nfs/dbraw/zinc/84/19/70/1204841970.db2.gz VOJAAEUVBLWCKQ-UHFFFAOYSA-N -1 1 372.385 0.978 10 0 FCAEMM O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175203670 1206300827 /nfs/dbraw/zinc/30/08/27/1206300827.db2.gz BXMRKFKPVNCUEE-CQSZACIVSA-N -1 1 370.365 0.661 10 0 FCAEMM NC(=O)COc1cccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001175203977 1206301181 /nfs/dbraw/zinc/30/11/81/1206301181.db2.gz GUZYVUWKLQJKQS-UHFFFAOYSA-N -1 1 358.354 0.049 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc2[nH]c(CO)nc21 ZINC001175214147 1206301745 /nfs/dbraw/zinc/30/17/45/1206301745.db2.gz KVUKUDZJIYPTBR-UHFFFAOYSA-N -1 1 355.354 0.554 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001176593579 1206315377 /nfs/dbraw/zinc/31/53/77/1206315377.db2.gz HJDUTCMVGJSPRW-CYBMUJFWSA-N -1 1 357.418 0.628 10 0 FCAEMM CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001177476496 1206339703 /nfs/dbraw/zinc/33/97/03/1206339703.db2.gz SYGJZJFXKLYVHN-VXGBXAGGSA-N -1 1 365.386 0.134 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001177865776 1206347551 /nfs/dbraw/zinc/34/75/51/1206347551.db2.gz GDABOEQNKIPOQC-MQYQWHSLSA-N -1 1 374.445 0.545 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001487998144 1208418280 /nfs/dbraw/zinc/41/82/80/1208418280.db2.gz JUSLBQAMJGEETC-FRRDWIJNSA-N -1 1 362.430 0.703 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2cncnc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489125751 1208633752 /nfs/dbraw/zinc/63/37/52/1208633752.db2.gz YHFCWIGYOCIENR-UONOGXRCSA-N -1 1 359.434 0.000 10 0 FCAEMM CCCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001489515852 1208872138 /nfs/dbraw/zinc/87/21/38/1208872138.db2.gz RERAXOHHZQLQAQ-GZBFAFLISA-N -1 1 365.430 0.948 10 0 FCAEMM CC(C)CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489561037 1208928629 /nfs/dbraw/zinc/92/86/29/1208928629.db2.gz WEKAANCYTYCERY-BZPMIXESSA-N -1 1 351.403 0.150 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001490020457 1209193298 /nfs/dbraw/zinc/19/32/98/1209193298.db2.gz UPASFFVGJMBBTE-HZSPNIEDSA-N -1 1 362.430 0.811 10 0 FCAEMM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001490107322 1209234257 /nfs/dbraw/zinc/23/42/57/1209234257.db2.gz BCJADBRILFCUNB-UPJWGTAASA-N -1 1 362.430 0.654 10 0 FCAEMM CC(C)[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001490134577 1209263660 /nfs/dbraw/zinc/26/36/60/1209263660.db2.gz MVXKCBFGQOGCCO-MCIONIFRSA-N -1 1 364.446 0.324 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001490207446 1209271303 /nfs/dbraw/zinc/27/13/03/1209271303.db2.gz IBMUYFZCJAVGRV-RRUGBERISA-N -1 1 360.414 0.232 10 0 FCAEMM C[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1CNC(=O)C(C)(C)C ZINC001490362395 1209338267 /nfs/dbraw/zinc/33/82/67/1209338267.db2.gz TZNATORMNDLKOU-CHWSQXEVSA-N -1 1 364.446 0.184 10 0 FCAEMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001490468349 1209355161 /nfs/dbraw/zinc/35/51/61/1209355161.db2.gz CUWZYVJNBGNSCL-ZIAGYGMSSA-N -1 1 364.494 0.816 10 0 FCAEMM NC(=O)c1cccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737054 1209561156 /nfs/dbraw/zinc/56/11/56/1209561156.db2.gz QFJJPHFMDYZOHI-NWDGAFQWSA-N -1 1 373.331 0.882 10 0 FCAEMM NC(=O)c1cccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737054 1209561161 /nfs/dbraw/zinc/56/11/61/1209561161.db2.gz QFJJPHFMDYZOHI-NWDGAFQWSA-N -1 1 373.331 0.882 10 0 FCAEMM O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859277790 1209815349 /nfs/dbraw/zinc/81/53/49/1209815349.db2.gz BHVGQZLVRVHXNC-RKDXNWHRSA-N -1 1 371.323 0.893 10 0 FCAEMM CCON(CC)C(=O)CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000862619206 1209916191 /nfs/dbraw/zinc/91/61/91/1209916191.db2.gz XFEMOVQLSPYMSC-UHFFFAOYSA-N -1 1 363.418 0.901 10 0 FCAEMM COc1cc2c(cc1C(=O)OCCc1c(C)nc3nc[n-]n3c1=O)OCO2 ZINC000777361289 1210993750 /nfs/dbraw/zinc/99/37/50/1210993750.db2.gz PJCUWJDDIPPIDB-UHFFFAOYSA-N -1 1 372.337 0.863 10 0 FCAEMM C[C@H](CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)Cn1cccn1 ZINC000929564712 1211646730 /nfs/dbraw/zinc/64/67/30/1211646730.db2.gz KSLNRGOTEYZOSN-LLVKDONJSA-N -1 1 366.368 0.978 10 0 FCAEMM Cn1[n-]c(COC(=O)CCCCN2C(=O)c3ccccc3C2=O)nc1=O ZINC000753591964 1220093734 /nfs/dbraw/zinc/09/37/34/1220093734.db2.gz SXWAWVVMDKHKIM-UHFFFAOYSA-N -1 1 358.354 0.618 10 0 FCAEMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC000798148765 1221280033 /nfs/dbraw/zinc/28/00/33/1221280033.db2.gz QFBOEJDUCVLVAZ-RISCZKNCSA-N -1 1 370.413 0.918 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)OCc1cnccn1 ZINC001116111199 1221337023 /nfs/dbraw/zinc/33/70/23/1221337023.db2.gz POJAGVXSWHJZLM-UHFFFAOYSA-N -1 1 359.386 0.793 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC(=O)[C@@H](C)C1 ZINC001116879236 1221398770 /nfs/dbraw/zinc/39/87/70/1221398770.db2.gz SZMATICRSUDXGP-LBPRGKRZSA-N -1 1 362.430 0.697 10 0 FCAEMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001117426401 1221544831 /nfs/dbraw/zinc/54/48/31/1221544831.db2.gz MBVKUNSZWHQDRT-JTQLQIEISA-N -1 1 369.429 0.378 10 0 FCAEMM COC(=O)[C@@H](CCF)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC001118333722 1221763059 /nfs/dbraw/zinc/76/30/59/1221763059.db2.gz MHGRRYXLPMSMHR-LLVKDONJSA-N -1 1 363.349 0.508 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cc(=O)c(O)cn1C ZINC001119479040 1221922354 /nfs/dbraw/zinc/92/23/54/1221922354.db2.gz XRCFVDCSRSHBAW-UHFFFAOYSA-N -1 1 357.370 0.315 10 0 FCAEMM C[C@@]1(C(=O)[O-])CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCO1 ZINC001119584207 1221936364 /nfs/dbraw/zinc/93/63/64/1221936364.db2.gz XLIWNKSYLBFNLS-SFHVURJKSA-N -1 1 362.430 0.296 10 0 FCAEMM CNC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC001138110336 1222481115 /nfs/dbraw/zinc/48/11/15/1222481115.db2.gz ZNENKFIXXATVMO-ZDUSSCGKSA-N -1 1 370.413 0.213 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000843257371 1222866990 /nfs/dbraw/zinc/86/69/90/1222866990.db2.gz ONDYFNBMHQJLTN-NEPJUHHUSA-N -1 1 357.370 0.457 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000843257371 1222866992 /nfs/dbraw/zinc/86/69/92/1222866992.db2.gz ONDYFNBMHQJLTN-NEPJUHHUSA-N -1 1 357.370 0.457 10 0 FCAEMM CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001166767432 1223285278 /nfs/dbraw/zinc/28/52/78/1223285278.db2.gz JCKIIXRTHMJDGO-MRXNPFEDSA-N -1 1 373.365 0.799 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cn4c(n3)COCC4)CC2)n1 ZINC001328946481 1265656577 /nfs/dbraw/zinc/65/65/77/1265656577.db2.gz MLTHPBDITAQPMW-UHFFFAOYSA-N -1 1 374.401 0.728 10 0 FCAEMM COc1cc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cc(OC)c1C(C)C ZINC001329107878 1265694833 /nfs/dbraw/zinc/69/48/33/1265694833.db2.gz AWDCGZRREFCWFH-UHFFFAOYSA-N -1 1 364.358 0.349 10 0 FCAEMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001520744304 1265984737 /nfs/dbraw/zinc/98/47/37/1265984737.db2.gz NCNLYNYZRFUAJF-OAHLLOKOSA-N -1 1 360.332 0.930 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001520886044 1266029268 /nfs/dbraw/zinc/02/92/68/1266029268.db2.gz COGZXWQUDLMUJX-BEAPCOKYSA-N -1 1 374.441 0.078 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001521893759 1266203409 /nfs/dbraw/zinc/20/34/09/1266203409.db2.gz HJSUUOZXMZGJQR-FRRDWIJNSA-N -1 1 362.430 0.526 10 0 FCAEMM CNC(=O)Cn1cnc([N-]C(=O)c2coc3c2C(=O)NCC(C)(C)C3)n1 ZINC001126087714 1259173331 /nfs/dbraw/zinc/17/33/31/1259173331.db2.gz DAMCQWCEWOZTIW-UHFFFAOYSA-N -1 1 360.374 0.182 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)COCC(F)F ZINC001521934583 1266240160 /nfs/dbraw/zinc/24/01/60/1266240160.db2.gz OPCRRDIUCDRBRF-GHMZBOCLSA-N -1 1 357.357 0.893 10 0 FCAEMM Cc1n[nH]c(C(=O)NCC[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2C)c1[O-] ZINC001521986590 1266279038 /nfs/dbraw/zinc/27/90/38/1266279038.db2.gz DUTHJHRCAVJTIO-ZYHUDNBSSA-N -1 1 360.418 0.604 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001331807602 1266290725 /nfs/dbraw/zinc/29/07/25/1266290725.db2.gz OPWSONLHSYNVGT-HUUCEWRRSA-N -1 1 358.398 0.339 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CO)Cc1ccccc1 ZINC001254490116 1259888266 /nfs/dbraw/zinc/88/82/66/1259888266.db2.gz VSWGYPSHUYVXRC-ZDUSSCGKSA-N -1 1 358.398 0.658 10 0 FCAEMM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001262161135 1260272808 /nfs/dbraw/zinc/27/28/08/1260272808.db2.gz ZVPDFHUKTGOPTR-QGZVFWFLSA-N -1 1 361.442 0.911 10 0 FCAEMM O=C(NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001266149856 1260423552 /nfs/dbraw/zinc/42/35/52/1260423552.db2.gz JFFIQTUVLDSSEA-CORIIIEPSA-N -1 1 365.434 0.033 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1 ZINC001280563071 1261069926 /nfs/dbraw/zinc/06/99/26/1261069926.db2.gz NSQCRNQKVBDGSV-OCCSQVGLSA-N -1 1 363.414 0.296 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C=C(C)C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001282244353 1261388569 /nfs/dbraw/zinc/38/85/69/1261388569.db2.gz WAZBGKLKHJXFEH-UONOGXRCSA-N -1 1 362.430 0.389 10 0 FCAEMM CC[C@@H](C)CC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001282367104 1261430541 /nfs/dbraw/zinc/43/05/41/1261430541.db2.gz BNCWBDJIULTKDB-MCIONIFRSA-N -1 1 364.446 0.469 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cnc3c(c2)nnn3C)[n-]c1=O ZINC001472258328 1261455895 /nfs/dbraw/zinc/45/58/95/1261455895.db2.gz KKYKSLUNRYLXNJ-NSHDSACASA-N -1 1 355.358 0.845 10 0 FCAEMM CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC001472486773 1261470993 /nfs/dbraw/zinc/47/09/93/1261470993.db2.gz XXLRRBIIRCTITO-ZDUSSCGKSA-N -1 1 360.370 0.617 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2c[nH]c3cnc(Cl)cc23)n1 ZINC001472498867 1261471884 /nfs/dbraw/zinc/47/18/84/1261471884.db2.gz WMFYZYJVTXXJIF-UHFFFAOYSA-N -1 1 354.779 0.919 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2c[nH]c3cnc(Cl)cc23)[n-]1 ZINC001472498867 1261471888 /nfs/dbraw/zinc/47/18/88/1261471888.db2.gz WMFYZYJVTXXJIF-UHFFFAOYSA-N -1 1 354.779 0.919 10 0 FCAEMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001284459755 1261758614 /nfs/dbraw/zinc/75/86/14/1261758614.db2.gz KGBKHQYNZWWJHC-AEGPPILISA-N -1 1 359.430 0.531 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)COCc3ccnc(OC)c3)nc2n1 ZINC001287285921 1261951149 /nfs/dbraw/zinc/95/11/49/1261951149.db2.gz NTGQWLLDIFTNTP-UHFFFAOYSA-N -1 1 358.358 0.539 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCN1C(=O)c1ncccc1[O-] ZINC001290412683 1262438787 /nfs/dbraw/zinc/43/87/87/1262438787.db2.gz FMMZNPBEHOYCFB-QWHCGFSZSA-N -1 1 358.402 0.578 10 0 FCAEMM CC(C)CC(=O)NC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001290864061 1262522916 /nfs/dbraw/zinc/52/29/16/1262522916.db2.gz GOIOSZMHPBGIAZ-ZIAGYGMSSA-N -1 1 364.446 0.184 10 0 FCAEMM CNC(=O)C1(C(=O)N2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](C)C2)CC1 ZINC001290899152 1262530732 /nfs/dbraw/zinc/53/07/32/1262530732.db2.gz QNVZWYJDRAYQDI-VXGBXAGGSA-N -1 1 360.414 0.138 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001291599206 1262564202 /nfs/dbraw/zinc/56/42/02/1262564202.db2.gz IIAFWNQWVTZLTD-VXGBXAGGSA-N -1 1 358.402 0.362 10 0 FCAEMM O=C(CCn1ccnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001292080746 1262641862 /nfs/dbraw/zinc/64/18/62/1262641862.db2.gz HXKWBFKSCJSHJS-UPJWGTAASA-N -1 1 356.386 0.331 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCCC1 ZINC001292159570 1262658586 /nfs/dbraw/zinc/65/85/86/1262658586.db2.gz WEKRZYPESIXPMG-KFWWJZLASA-N -1 1 374.441 0.365 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCCN3C(=O)CNC3=O)c2)o1 ZINC001293221601 1262712871 /nfs/dbraw/zinc/71/28/71/1262712871.db2.gz AHPPSTDFTNYXMT-UHFFFAOYSA-N -1 1 357.322 0.746 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001296687256 1262830984 /nfs/dbraw/zinc/83/09/84/1262830984.db2.gz GAKOQNAYTGRGTI-GFCCVEGCSA-N -1 1 372.410 0.783 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1 ZINC001296956165 1262843891 /nfs/dbraw/zinc/84/38/91/1262843891.db2.gz SWURQBLPRSEYOM-NWDGAFQWSA-N -1 1 365.434 0.768 10 0 FCAEMM Cc1c(NC(=O)CNC(=O)c2ncccc2[O-])nnn1Cc1ccncc1 ZINC001298438103 1262927542 /nfs/dbraw/zinc/92/75/42/1262927542.db2.gz QSHMFBGNNQIIGI-UHFFFAOYSA-N -1 1 367.369 0.499 10 0 FCAEMM NC(=O)c1ccccc1NCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302843361 1263063390 /nfs/dbraw/zinc/06/33/90/1263063390.db2.gz PLWBZSPTWNZZJZ-UHFFFAOYSA-N -1 1 357.370 0.082 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC001303199626 1263083136 /nfs/dbraw/zinc/08/31/36/1263083136.db2.gz LJNGCIMJFZSPGQ-UHFFFAOYSA-N -1 1 358.450 0.402 10 0 FCAEMM COC(=O)C[C@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155854 1263173105 /nfs/dbraw/zinc/17/31/05/1263173105.db2.gz DGUNZFLZEZCFRS-SNVBAGLBSA-N -1 1 350.375 0.492 10 0 FCAEMM CCOC(=O)[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001479158225 1263174057 /nfs/dbraw/zinc/17/40/57/1263174057.db2.gz ROTGLFDRXRTGAZ-NSHDSACASA-N -1 1 364.402 0.740 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NC[C@@]1(OCCO)CCOC1 ZINC001479416472 1263191160 /nfs/dbraw/zinc/19/11/60/1263191160.db2.gz FTKIKZKIHCIPCP-INIZCTEOSA-N -1 1 360.357 0.680 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N(CCO)Cc2nc(=O)n(C)[n-]2)C1 ZINC001479659457 1263304429 /nfs/dbraw/zinc/30/44/29/1263304429.db2.gz KQYMAEHPHGCCRW-RBSFLKMASA-N -1 1 365.478 0.330 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001485391064 1263504429 /nfs/dbraw/zinc/50/44/29/1263504429.db2.gz MYJUQZNKPQALDZ-TUKIKUTGSA-N -1 1 361.421 0.988 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@@H](O)C2(CC2)C1 ZINC001320472345 1263798708 /nfs/dbraw/zinc/79/87/08/1263798708.db2.gz ZFXGSJHJMUTIIU-CQSZACIVSA-N -1 1 362.430 0.243 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)C1 ZINC001497565081 1263940141 /nfs/dbraw/zinc/94/01/41/1263940141.db2.gz QMHWKECVQKSAEO-NEPJUHHUSA-N -1 1 360.414 0.410 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001501498903 1264126613 /nfs/dbraw/zinc/12/66/13/1264126613.db2.gz SKSLEVXELTXMAT-QEEYODRMSA-N -1 1 369.421 0.972 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC001322782094 1264264480 /nfs/dbraw/zinc/26/44/80/1264264480.db2.gz UNDJRVDFENZKER-LBPRGKRZSA-N -1 1 355.354 0.017 10 0 FCAEMM O=C(NCCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ncccc1[O-] ZINC001510292651 1264490776 /nfs/dbraw/zinc/49/07/76/1264490776.db2.gz NBYHSMWIORNPJS-NFAWXSAZSA-N -1 1 363.414 0.607 10 0 FCAEMM CCCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001512898702 1264722598 /nfs/dbraw/zinc/72/25/98/1264722598.db2.gz PTBAKGIMYMTIJY-YRGRVCCFSA-N -1 1 351.403 0.294 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1OC ZINC001513356787 1265060358 /nfs/dbraw/zinc/06/03/58/1265060358.db2.gz WCQNMJNLCNWRSH-LPBFIKQHSA-N -1 1 360.414 0.981 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cn(C)nn1 ZINC001326741170 1265161633 /nfs/dbraw/zinc/16/16/33/1265161633.db2.gz NVEGSPDDUFFRJB-UHFFFAOYSA-N -1 1 353.386 0.930 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001524783264 1266726693 /nfs/dbraw/zinc/72/66/93/1266726693.db2.gz QIAUMPOZMZENBU-HZSPNIEDSA-N -1 1 362.430 0.080 10 0 FCAEMM Cn1ccnc1C1(O)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001528809286 1266997305 /nfs/dbraw/zinc/99/73/05/1266997305.db2.gz CAIKUQGFNOHFAC-UHFFFAOYSA-N -1 1 358.427 0.875 10 0 FCAEMM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001528879833 1267004221 /nfs/dbraw/zinc/00/42/21/1267004221.db2.gz OYWOQWYMPVGBDR-ZJUUUORDSA-N -1 1 360.340 0.534 10 0 FCAEMM CN(C(=O)COc1cccc(I)c1)c1nn[n-]n1 ZINC001532085546 1267159044 /nfs/dbraw/zinc/15/90/44/1267159044.db2.gz QIXHHDHVWGVYIY-UHFFFAOYSA-N -1 1 359.127 0.846 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCO[C@@H]2CCOC2)o1 ZINC001538487636 1267406238 /nfs/dbraw/zinc/40/62/38/1267406238.db2.gz FOVQFRTYUUEELS-LLVKDONJSA-N -1 1 360.432 0.892 10 0 FCAEMM O=C(CN1CCN(C(=O)c2ccc([O-])cn2)CC1)NCc1ccccc1 ZINC001540638105 1267456253 /nfs/dbraw/zinc/45/62/53/1267456253.db2.gz HRPKFCAROJNCST-UHFFFAOYSA-N -1 1 354.410 0.861 10 0 FCAEMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001540844247 1267467359 /nfs/dbraw/zinc/46/73/59/1267467359.db2.gz MNOLEYUXRYZMLK-JTQLQIEISA-N -1 1 360.288 0.915 10 0 FCAEMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1(n2cc(Br)cn2)CC1 ZINC001542946172 1267514995 /nfs/dbraw/zinc/51/49/95/1267514995.db2.gz KLXQTSCEZCJNMX-SECBINFHSA-N -1 1 368.195 0.248 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCS(C)(=O)=O ZINC001543582148 1267552054 /nfs/dbraw/zinc/55/20/54/1267552054.db2.gz UCUJQCYGFTYPFH-UHFFFAOYSA-N -1 1 364.427 0.646 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)C(=O)c1ncccc1[O-] ZINC001339002343 1268146484 /nfs/dbraw/zinc/14/64/84/1268146484.db2.gz JGFDQGVKSBQQEI-HIFRSBDPSA-N -1 1 365.430 0.807 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)N[C@](C)(CCF)C(=O)[O-])cn2)CC1 ZINC001339494580 1268252204 /nfs/dbraw/zinc/25/22/04/1268252204.db2.gz ZMRPFEDCMRIYHZ-QGZVFWFLSA-N -1 1 367.425 0.836 10 0 FCAEMM Cn1cc(Br)c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001339604047 1268279811 /nfs/dbraw/zinc/27/98/11/1268279811.db2.gz WLUPLRZHMYAJRJ-SECBINFHSA-N -1 1 359.224 0.595 10 0 FCAEMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001556206832 1268831139 /nfs/dbraw/zinc/83/11/39/1268831139.db2.gz HJELRDIXJZQXLL-QMMMGPOBSA-N -1 1 363.189 0.006 10 0 FCAEMM C[C@]1(CC(=O)Nc2nc(Br)ccc2[O-])CCS(=O)(=O)N1 ZINC001556251652 1268838697 /nfs/dbraw/zinc/83/86/97/1268838697.db2.gz PVONMYMEXSAHKJ-LLVKDONJSA-N -1 1 364.221 0.960 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001341337741 1268943240 /nfs/dbraw/zinc/94/32/40/1268943240.db2.gz AIYQCWJPPCIPAG-PIFJCSEESA-N -1 1 362.430 0.882 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001557922964 1268991465 /nfs/dbraw/zinc/99/14/65/1268991465.db2.gz JTYFXNQNOGFXSK-ONGXEEELSA-N -1 1 355.416 0.992 10 0 FCAEMM COCCOc1ccc(C(=O)N[C@@H](COC)c2nn[n-]n2)c(Cl)c1 ZINC001558339774 1269067389 /nfs/dbraw/zinc/06/73/89/1269067389.db2.gz MAZROOPLNOFDCQ-LBPRGKRZSA-N -1 1 355.782 0.996 10 0 FCAEMM CCOC(=O)[C@@H](CC(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1)C(C)=O ZINC001558500252 1269100967 /nfs/dbraw/zinc/10/09/67/1269100967.db2.gz PAOATBWJELIDMF-JTQLQIEISA-N -1 1 353.375 0.701 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)o1 ZINC001558624536 1269123596 /nfs/dbraw/zinc/12/35/96/1269123596.db2.gz DMPNTESIGRYSHW-VIFPVBQESA-N -1 1 364.445 0.273 10 0 FCAEMM CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001558684049 1269131209 /nfs/dbraw/zinc/13/12/09/1269131209.db2.gz UBVDTAMZROVLEK-AAEUAGOBSA-N -1 1 362.434 0.800 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c2ccc([O-])cc2o1 ZINC001559897861 1269179440 /nfs/dbraw/zinc/17/94/40/1269179440.db2.gz ZCFDYMZCLBEZAA-GOEBONIOSA-N -1 1 365.407 0.887 10 0 FCAEMM CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCOCC1 ZINC001565614636 1269483066 /nfs/dbraw/zinc/48/30/66/1269483066.db2.gz VXQKJFRAGASLSO-LLVKDONJSA-N -1 1 367.406 0.238 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccncc1 ZINC001565634027 1269485363 /nfs/dbraw/zinc/48/53/63/1269485363.db2.gz GJXNSKKDIXVEPL-CYBMUJFWSA-N -1 1 372.381 0.060 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1C/C=C/Cl ZINC001566016226 1269553747 /nfs/dbraw/zinc/55/37/47/1269553747.db2.gz FSWMPYKBAGJLLD-ALJYCVQCSA-N -1 1 355.826 0.937 10 0 FCAEMM CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nn[n-]n1 ZINC001566663746 1269656362 /nfs/dbraw/zinc/65/63/62/1269656362.db2.gz VVMYTYZLTJLMIV-UHFFFAOYSA-N -1 1 367.435 0.453 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001569789728 1269809533 /nfs/dbraw/zinc/80/95/33/1269809533.db2.gz AYJFEJCJXAHZFK-APPDUMDISA-N -1 1 363.345 0.837 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC001570856963 1269919595 /nfs/dbraw/zinc/91/95/95/1269919595.db2.gz NTEAWDAEXMDKCV-MMWGEVLESA-N -1 1 366.336 0.765 10 0 FCAEMM CCCCC(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1 ZINC001343923512 1270052011 /nfs/dbraw/zinc/05/20/11/1270052011.db2.gz TXKVIPUGPMYFNM-ZIAGYGMSSA-N -1 1 362.430 0.176 10 0 FCAEMM CC(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001344295186 1270137492 /nfs/dbraw/zinc/13/74/92/1270137492.db2.gz HNHPCYOLWMIRJM-UONOGXRCSA-N -1 1 364.446 0.374 10 0 FCAEMM CC(C)CCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001573439637 1270777918 /nfs/dbraw/zinc/77/79/18/1270777918.db2.gz ZVUNCYRADPXRQC-KGLIPLIRSA-N -1 1 364.446 0.469 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCC[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001718421090 1287500910 /nfs/dbraw/zinc/50/09/10/1287500910.db2.gz JFKNVWWOFORESS-HBNTYKKESA-N -1 1 366.418 0.957 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001582457433 1281574562 /nfs/dbraw/zinc/57/45/62/1281574562.db2.gz GXVDGHMATMUPSV-GARJFASQSA-N -1 1 364.402 0.567 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1CCC2)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001718574434 1287522213 /nfs/dbraw/zinc/52/22/13/1287522213.db2.gz OVBMDYYIYZLDLT-WVQJBOLRSA-N -1 1 358.402 0.185 10 0 FCAEMM CCOC(=O)Cn1nc(C)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001583291510 1282081222 /nfs/dbraw/zinc/08/12/22/1282081222.db2.gz NCUMCQNNRZCFSL-UHFFFAOYSA-N -1 1 361.358 0.224 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC001584176545 1282140844 /nfs/dbraw/zinc/14/08/44/1282140844.db2.gz QDMWEMNNGCIRPR-DOGVGXBMSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C=CCOC2CCOCC2)[n-]1 ZINC001584176545 1282140848 /nfs/dbraw/zinc/14/08/48/1282140848.db2.gz QDMWEMNNGCIRPR-DOGVGXBMSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)/C=C\COC2CCOCC2)n1 ZINC001584176545 1282140853 /nfs/dbraw/zinc/14/08/53/1282140853.db2.gz QDMWEMNNGCIRPR-DOGVGXBMSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)n[n-]1 ZINC001584176364 1282141289 /nfs/dbraw/zinc/14/12/89/1282141289.db2.gz MCZNNIWIUSDAIC-SECBINFHSA-N -1 1 358.420 0.516 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)[n-]1 ZINC001584176364 1282141290 /nfs/dbraw/zinc/14/12/90/1282141290.db2.gz MCZNNIWIUSDAIC-SECBINFHSA-N -1 1 358.420 0.516 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)n1 ZINC001584176364 1282141293 /nfs/dbraw/zinc/14/12/93/1282141293.db2.gz MCZNNIWIUSDAIC-SECBINFHSA-N -1 1 358.420 0.516 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(O)(Cc2ccccn2)CC1 ZINC001584266216 1282147227 /nfs/dbraw/zinc/14/72/27/1282147227.db2.gz YCDPUYINSSIYEF-UHFFFAOYSA-N -1 1 370.409 0.508 10 0 FCAEMM C[C@@H](CN(C)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001632362850 1282170804 /nfs/dbraw/zinc/17/08/04/1282170804.db2.gz BEYAVEBKRLTIGO-MEDUHNTESA-N -1 1 368.438 0.524 10 0 FCAEMM C[C@H](CN(C)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001632362848 1282170837 /nfs/dbraw/zinc/17/08/37/1282170837.db2.gz BEYAVEBKRLTIGO-BZNIZROVSA-N -1 1 368.438 0.524 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001633669756 1282263730 /nfs/dbraw/zinc/26/37/30/1282263730.db2.gz LWPFEFBMTLQZSI-BDAKNGLRSA-N -1 1 360.461 0.227 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@@H](CO)CN3CCOCC3)c2)o1 ZINC001633683592 1282266231 /nfs/dbraw/zinc/26/62/31/1282266231.db2.gz FSPOCHPORCLEGP-CQSZACIVSA-N -1 1 374.393 0.888 10 0 FCAEMM CCn1c(Br)ncc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895584 1282281706 /nfs/dbraw/zinc/28/17/06/1282281706.db2.gz KDEKGQVQTOQPJT-UHFFFAOYSA-N -1 1 370.211 0.302 10 0 FCAEMM CCOC(=O)N1CC[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001634444965 1282329785 /nfs/dbraw/zinc/32/97/85/1282329785.db2.gz DDYAXMRQRYOCCK-JTQLQIEISA-N -1 1 365.390 0.285 10 0 FCAEMM COC[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1nn[n-]n1 ZINC001634622534 1282340557 /nfs/dbraw/zinc/34/05/57/1282340557.db2.gz UTAXVYLGMUAOLS-SSDOTTSWSA-N -1 1 357.168 0.109 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc(S(C)(=O)=O)oc3C)nc2n1 ZINC001587188090 1282340804 /nfs/dbraw/zinc/34/08/04/1282340804.db2.gz OKGBTJKKFRMWAZ-UHFFFAOYSA-N -1 1 365.371 0.537 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)o1 ZINC001634695367 1282348509 /nfs/dbraw/zinc/34/85/09/1282348509.db2.gz RVNDOHRDIXISJM-ZDUSSCGKSA-N -1 1 369.333 0.841 10 0 FCAEMM COc1ccc([C@@]2(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)C[C@@H](O)C2)cc1 ZINC001635008244 1282373297 /nfs/dbraw/zinc/37/32/97/1282373297.db2.gz NXOXTWWPFVUOED-WJYNOGRTSA-N -1 1 373.413 0.111 10 0 FCAEMM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001635089833 1282377791 /nfs/dbraw/zinc/37/77/91/1282377791.db2.gz CBBXSIDVRXNNPJ-GFCCVEGCSA-N -1 1 361.312 0.877 10 0 FCAEMM COCCNC(=O)C1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC001587851073 1282383114 /nfs/dbraw/zinc/38/31/14/1282383114.db2.gz JUCRCEKQAJMSDT-UHFFFAOYSA-N -1 1 368.459 0.827 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC001635812870 1282434991 /nfs/dbraw/zinc/43/49/91/1282434991.db2.gz VNGRZMUUDWEMBG-PHIMTYICSA-N -1 1 353.400 0.081 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC3(CO2)CCOCC3)o1 ZINC001635877454 1282439507 /nfs/dbraw/zinc/43/95/07/1282439507.db2.gz BYUYHWMYBNLUKL-LLVKDONJSA-N -1 1 358.416 0.503 10 0 FCAEMM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322009 1282485573 /nfs/dbraw/zinc/48/55/73/1282485573.db2.gz KXYKGOPEYWCPGM-QWRGUYRKSA-N -1 1 374.397 0.046 10 0 FCAEMM NC(=O)COc1ccccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322799 1282486439 /nfs/dbraw/zinc/48/64/39/1282486439.db2.gz XBVNLXBXAHWQMZ-UHFFFAOYSA-N -1 1 358.354 0.049 10 0 FCAEMM CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC001636477845 1282505744 /nfs/dbraw/zinc/50/57/44/1282505744.db2.gz RGUJTAHUDVBPMP-MRVPVSSYSA-N -1 1 352.206 0.290 10 0 FCAEMM O=C(N[C@@H](CO)C(=O)Nc1ccc([O-])c(F)c1F)c1cccc(F)n1 ZINC001636507367 1282507391 /nfs/dbraw/zinc/50/73/91/1282507391.db2.gz WUDBWDXEHPLADH-VIFPVBQESA-N -1 1 355.272 0.934 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001636599027 1282521889 /nfs/dbraw/zinc/52/18/89/1282521889.db2.gz MXXWPPMLXIXJRS-BDAKNGLRSA-N -1 1 366.374 0.730 10 0 FCAEMM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001637135510 1282566477 /nfs/dbraw/zinc/56/64/77/1282566477.db2.gz WWJZJOXVRGLUAI-VXGBXAGGSA-N -1 1 368.411 0.971 10 0 FCAEMM Nc1n[nH]c(CCNC(=O)c2ccc(I)c([O-])c2)n1 ZINC001637261864 1282581659 /nfs/dbraw/zinc/58/16/59/1282581659.db2.gz WQFWTJOPBUCIBM-UHFFFAOYSA-N -1 1 373.154 0.670 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001637541562 1282603036 /nfs/dbraw/zinc/60/30/36/1282603036.db2.gz MGTABHVLLVLUCA-IUODEOHRSA-N -1 1 364.446 0.489 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@@]2(CCSC2)C1 ZINC001637890599 1282633402 /nfs/dbraw/zinc/63/34/02/1282633402.db2.gz MEODKLPKKRLUCV-INIZCTEOSA-N -1 1 366.443 0.672 10 0 FCAEMM Cn1cc(-c2ncccc2NC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC001638423047 1282696122 /nfs/dbraw/zinc/69/61/22/1282696122.db2.gz NIJCQGJVUQVTIE-UHFFFAOYSA-N -1 1 352.354 0.951 10 0 FCAEMM CC1C(=O)N=C(CCN(C)C(=O)c2ccc3n[n-]c(=S)n3c2)NC1=O ZINC001639279283 1282765765 /nfs/dbraw/zinc/76/57/65/1282765765.db2.gz RMWDYONWMXEKLW-UHFFFAOYSA-N -1 1 360.399 0.842 10 0 FCAEMM O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001639431724 1282787379 /nfs/dbraw/zinc/78/73/79/1282787379.db2.gz BVRDCMFMNGYMDF-ZIAGYGMSSA-N -1 1 359.386 0.166 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC001639517890 1282790878 /nfs/dbraw/zinc/79/08/78/1282790878.db2.gz MMQAPGGMNVMUHB-AXFHLTTASA-N -1 1 360.432 0.361 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc([O-])cc1F)CCS2(=O)=O ZINC001639971593 1282827905 /nfs/dbraw/zinc/82/79/05/1282827905.db2.gz RRKZMADBMIQGCJ-MAXPVNGDSA-N -1 1 370.402 0.472 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CCC3N=NC(=O)N3C2)[n-]c1=O ZINC001640131989 1282841179 /nfs/dbraw/zinc/84/11/79/1282841179.db2.gz DKTRFZQTHZCAHW-UWVGGRQHSA-N -1 1 360.374 0.414 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)Cn2nc3ccccn3c2=O)[n-]c1=O ZINC001640132181 1282841264 /nfs/dbraw/zinc/84/12/64/1282841264.db2.gz IEGLAOLUAUXAGX-LLVKDONJSA-N -1 1 370.369 0.364 10 0 FCAEMM Cn1c2[nH]c(CCC(=O)Nc3ccc([O-])c(F)c3F)nc2c(=O)[nH]c1=O ZINC001640612975 1282882764 /nfs/dbraw/zinc/88/27/64/1282882764.db2.gz LIEUAIKFKLHOQZ-UHFFFAOYSA-N -1 1 365.296 0.917 10 0 FCAEMM COC1(OC)CCOC[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001640953767 1282916139 /nfs/dbraw/zinc/91/61/39/1282916139.db2.gz IHZFSQMRLAHDNM-ZDUSSCGKSA-N -1 1 364.402 0.488 10 0 FCAEMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc3cc[nH]c(=O)c3s2)n1 ZINC001641297657 1282938287 /nfs/dbraw/zinc/93/82/87/1282938287.db2.gz MOLJYKDGZCMGKP-UHFFFAOYSA-N -1 1 354.369 0.770 10 0 FCAEMM CC1(C)C[C@H](O)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001683595469 1284052949 /nfs/dbraw/zinc/05/29/49/1284052949.db2.gz YRTATGLMTLHNAO-LLVKDONJSA-N -1 1 350.419 0.947 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001684377745 1284168911 /nfs/dbraw/zinc/16/89/11/1284168911.db2.gz QETBKWHTESJPMI-BFHYXJOUSA-N -1 1 362.430 0.717 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1cncn1C ZINC001702812251 1285904708 /nfs/dbraw/zinc/90/47/08/1285904708.db2.gz WXWQZLGPFPRGHZ-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001703405586 1286106208 /nfs/dbraw/zinc/10/62/08/1286106208.db2.gz URLQNOQSOQRZKR-NXEZZACHSA-N -1 1 366.418 0.815 10 0 FCAEMM CN(CCCNC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001703580657 1286118934 /nfs/dbraw/zinc/11/89/34/1286118934.db2.gz AZJBOIRQNABBCL-SGTLLEGYSA-N -1 1 360.414 0.674 10 0 FCAEMM Cn1cc(NC(=O)CNC(=O)c2ncccc2[O-])c(Br)n1 ZINC001593857368 1286220867 /nfs/dbraw/zinc/22/08/67/1286220867.db2.gz UCBMAWUZHCRULF-UHFFFAOYSA-N -1 1 354.164 0.652 10 0 FCAEMM CCS(=O)(=O)NC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001595835861 1286266510 /nfs/dbraw/zinc/26/65/10/1286266510.db2.gz ZAOFTYRJUKWRGZ-UHFFFAOYSA-N -1 1 369.472 0.562 10 0 FCAEMM CS(=O)(=O)c1cccnc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595948364 1286274535 /nfs/dbraw/zinc/27/45/35/1286274535.db2.gz NPZYRBZURYCPKE-SNVBAGLBSA-N -1 1 350.404 0.093 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CCc2ccccc2)o1 ZINC001596497439 1286304426 /nfs/dbraw/zinc/30/44/26/1286304426.db2.gz DNTLNHRMJCNLLH-CYBMUJFWSA-N -1 1 352.412 0.911 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC001596518672 1286306223 /nfs/dbraw/zinc/30/62/23/1286306223.db2.gz QUNVMNYOWSADDD-ILMIYZIASA-N -1 1 353.375 0.599 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)[C@H]([C@H]2CCCO2)C1 ZINC001597116393 1286328382 /nfs/dbraw/zinc/32/83/82/1286328382.db2.gz CMFQQYPXFJUXLI-FRRDWIJNSA-N -1 1 351.407 0.482 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)[C@H]([C@@H]2CCCO2)C1 ZINC001597116392 1286329160 /nfs/dbraw/zinc/32/91/60/1286329160.db2.gz CMFQQYPXFJUXLI-AGIUHOORSA-N -1 1 351.407 0.482 10 0 FCAEMM COc1cccc(C[C@H](O)C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)c1 ZINC001597549094 1286350332 /nfs/dbraw/zinc/35/03/32/1286350332.db2.gz NNETVDMUWOHNOY-AWEZNQCLSA-N -1 1 361.398 0.809 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC001598429011 1286392718 /nfs/dbraw/zinc/39/27/18/1286392718.db2.gz WHZZVWQANVIDGS-NSHDSACASA-N -1 1 363.395 0.613 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCCc2cn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001707198031 1286505452 /nfs/dbraw/zinc/50/54/52/1286505452.db2.gz RLCSXCBVBZAQQJ-QWHCGFSZSA-N -1 1 362.438 0.511 10 0 FCAEMM CC(C)(F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001736000810 1289117137 /nfs/dbraw/zinc/11/71/37/1289117137.db2.gz KXVLXTATSOJMMI-VXGBXAGGSA-N -1 1 368.409 0.218 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCOCC(F)(F)F)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707256528 1287109317 /nfs/dbraw/zinc/10/93/17/1287109317.db2.gz MXCDAFMVYAEZAI-ZJUUUORDSA-N -1 1 365.356 0.156 10 0 FCAEMM CC[C@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001719267078 1287982064 /nfs/dbraw/zinc/98/20/64/1287982064.db2.gz BSQWCGBAABTDHT-FOGDFJRCSA-N -1 1 357.357 0.770 10 0 FCAEMM CNC(=O)C1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001736109646 1289150673 /nfs/dbraw/zinc/15/06/73/1289150673.db2.gz LSYNRXIAVXHFDR-NWDGAFQWSA-N -1 1 360.414 0.328 10 0 FCAEMM O=C(CCCF)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736119449 1289157953 /nfs/dbraw/zinc/15/79/53/1289157953.db2.gz ZLUDZJUMZPPCLF-QWHCGFSZSA-N -1 1 368.409 0.078 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001735242499 1288709272 /nfs/dbraw/zinc/70/92/72/1288709272.db2.gz PFVITNNYRSEKQL-IVZWLZJFSA-N -1 1 352.391 0.519 10 0 FCAEMM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001737858239 1289598189 /nfs/dbraw/zinc/59/81/89/1289598189.db2.gz WZSHULJLIUBVAK-VXGBXAGGSA-N -1 1 360.418 0.919 10 0 FCAEMM COc1ccc(CN2CCCN(C(=O)CCc3nn[n-]n3)CC2=O)cc1 ZINC001611035735 1289625533 /nfs/dbraw/zinc/62/55/33/1289625533.db2.gz KFGXKXMTDSYHQB-UHFFFAOYSA-N -1 1 358.402 0.402 10 0 FCAEMM C[C@H](CN(C)C(=O)Cn1cnc(-c2ccccc2)cc1=O)c1nn[n-]n1 ZINC001611066559 1289627380 /nfs/dbraw/zinc/62/73/80/1289627380.db2.gz XCGZEWBSDICISJ-GFCCVEGCSA-N -1 1 353.386 0.686 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCC(C(=O)N(C)C)CC2)n[n-]1 ZINC001611154050 1289632100 /nfs/dbraw/zinc/63/21/00/1289632100.db2.gz CLOSIGLWFVIKFD-UHFFFAOYSA-N -1 1 351.407 0.492 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCC(C(=O)N(C)C)CC2)n1 ZINC001611154050 1289632109 /nfs/dbraw/zinc/63/21/09/1289632109.db2.gz CLOSIGLWFVIKFD-UHFFFAOYSA-N -1 1 351.407 0.492 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)n[n-]1 ZINC001611154903 1289633977 /nfs/dbraw/zinc/63/39/77/1289633977.db2.gz TYKSGFGFUBFEGS-UHFFFAOYSA-N -1 1 363.418 0.683 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)n1 ZINC001611154903 1289633986 /nfs/dbraw/zinc/63/39/86/1289633986.db2.gz TYKSGFGFUBFEGS-UHFFFAOYSA-N -1 1 363.418 0.683 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)C=Cc1ccccc1 ZINC001617396306 1289837323 /nfs/dbraw/zinc/83/73/23/1289837323.db2.gz AVLOQTOJGJYRRK-HJWRWDBZSA-N -1 1 372.381 0.846 10 0 FCAEMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703825 1289858050 /nfs/dbraw/zinc/85/80/50/1289858050.db2.gz XBGFPCAKQRJMAM-ZJUUUORDSA-N -1 1 363.340 0.900 10 0 FCAEMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703822 1289858966 /nfs/dbraw/zinc/85/89/66/1289858966.db2.gz XBGFPCAKQRJMAM-NXEZZACHSA-N -1 1 363.340 0.900 10 0 FCAEMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703824 1289860049 /nfs/dbraw/zinc/86/00/49/1289860049.db2.gz XBGFPCAKQRJMAM-VHSXEESVSA-N -1 1 363.340 0.900 10 0 FCAEMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001618656631 1289926381 /nfs/dbraw/zinc/92/63/81/1289926381.db2.gz YVPIVBOAMDXAAX-QGZVFWFLSA-N -1 1 358.329 0.894 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)n1cccc1 ZINC001739448722 1290012575 /nfs/dbraw/zinc/01/25/75/1290012575.db2.gz OZYHKLZTAMXVHY-UMVBOHGHSA-N -1 1 358.398 0.542 10 0 FCAEMM CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001739502677 1290076054 /nfs/dbraw/zinc/07/60/54/1290076054.db2.gz KHRSTXSENGCAAZ-MGPQQGTHSA-N -1 1 365.430 0.806 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)o1 ZINC001623985407 1290245195 /nfs/dbraw/zinc/24/51/95/1290245195.db2.gz RLBYCBSOLHGXTB-ZDUSSCGKSA-N -1 1 365.367 0.665 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)o1 ZINC001623985406 1290245849 /nfs/dbraw/zinc/24/58/49/1290245849.db2.gz RLBYCBSOLHGXTB-CYBMUJFWSA-N -1 1 365.367 0.665 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C ZINC001624423917 1290271978 /nfs/dbraw/zinc/27/19/78/1290271978.db2.gz KRJGATJDYVGEBM-MRVPVSSYSA-N -1 1 358.420 0.395 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@]1(O)CCOC1 ZINC001624543178 1290279079 /nfs/dbraw/zinc/27/90/79/1290279079.db2.gz LODXQJAJKPLTRP-OAHLLOKOSA-N -1 1 356.400 0.267 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001624730994 1290292058 /nfs/dbraw/zinc/29/20/58/1290292058.db2.gz QPJIFAXTERCTGX-QWRGUYRKSA-N -1 1 366.418 0.935 10 0 FCAEMM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001624843475 1290300210 /nfs/dbraw/zinc/30/02/10/1290300210.db2.gz KPPORWVSBPGBIT-UHFFFAOYSA-N -1 1 357.370 0.705 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC001625611558 1290354010 /nfs/dbraw/zinc/35/40/10/1290354010.db2.gz MQGLQECBEIHKNU-DLGQBQFBSA-N -1 1 359.415 0.284 10 0 FCAEMM O=C([C@@H]1Cc2cc(F)ccc2NC1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001625612202 1290356446 /nfs/dbraw/zinc/35/64/46/1290356446.db2.gz ZTXZUTVRTOSDDX-PWSUYJOCSA-N -1 1 362.390 0.766 10 0 FCAEMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001626578125 1290403846 /nfs/dbraw/zinc/40/38/46/1290403846.db2.gz FBGYQJHWQGVBLB-QWRGUYRKSA-N -1 1 357.432 0.265 10 0 FCAEMM C[C@@H](NC(=O)CCc1nn[n-]n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001627889554 1290492408 /nfs/dbraw/zinc/49/24/08/1290492408.db2.gz XXNHPTOTFNJVTK-SNVBAGLBSA-N -1 1 352.420 0.260 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC001628040324 1290503427 /nfs/dbraw/zinc/50/34/27/1290503427.db2.gz ZCELUUYIMPXBBE-NSHDSACASA-N -1 1 350.379 0.812 10 0 FCAEMM O=C(CCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001740376377 1290547823 /nfs/dbraw/zinc/54/78/23/1290547823.db2.gz DTVCRBRPBURYNJ-MCIONIFRSA-N -1 1 355.398 0.936 10 0 FCAEMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1CCc2nncn2CC1 ZINC001629340878 1290594308 /nfs/dbraw/zinc/59/43/08/1290594308.db2.gz TWWJVPWXBQYKCB-LLVKDONJSA-N -1 1 354.374 0.961 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3ccnn3)CC2)co1 ZINC001630656556 1290686623 /nfs/dbraw/zinc/68/66/23/1290686623.db2.gz OZWMJAIWUGAURX-LBPRGKRZSA-N -1 1 353.404 0.647 10 0 FCAEMM C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428134 1290730251 /nfs/dbraw/zinc/73/02/51/1290730251.db2.gz HQNZRMHWTJZQFC-JVXZTZIISA-N -1 1 355.372 0.268 10 0 FCAEMM Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CCOC[C@@H]3c3nn[n-]n3)C2=O)c1 ZINC001631568728 1290739734 /nfs/dbraw/zinc/73/97/34/1290739734.db2.gz KVSXVLFSQXSZFL-HUUCEWRRSA-N -1 1 370.413 0.770 10 0 FCAEMM O=C(CCN1CSCCSC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244466 1290865983 /nfs/dbraw/zinc/86/59/83/1290865983.db2.gz QPSZACMEYQELGR-UHFFFAOYSA-N -1 1 370.500 0.958 10 0 FCAEMM COC(=O)[C@]1(O)CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC001643516853 1290902564 /nfs/dbraw/zinc/90/25/64/1290902564.db2.gz URUAVPKDZXEEIV-SFHVURJKSA-N -1 1 372.381 0.232 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001643820212 1290918179 /nfs/dbraw/zinc/91/81/79/1290918179.db2.gz HRWBNEQNTROEAI-CYBMUJFWSA-N -1 1 372.495 0.779 10 0 FCAEMM CCCC(=O)N1CCC[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001644156638 1290944018 /nfs/dbraw/zinc/94/40/18/1290944018.db2.gz KPUPAUZXRMUZLY-LBPRGKRZSA-N -1 1 362.430 0.910 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)NC2(c3nn[n-]n3)CCC2)COC1 ZINC001644750308 1290981132 /nfs/dbraw/zinc/98/11/32/1290981132.db2.gz CQZAWAGNXKKSDE-UHFFFAOYSA-N -1 1 352.395 0.379 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cn(-c3cccnc3)nn2)[n-]c1=O ZINC001645225006 1291010094 /nfs/dbraw/zinc/01/00/94/1291010094.db2.gz IWJZQTQPSNGVNE-UHFFFAOYSA-N -1 1 355.358 0.832 10 0 FCAEMM CN(C)c1nccc2c1CN(C(=O)CNC(=O)c1ncccc1[O-])CC2 ZINC001648081406 1291101171 /nfs/dbraw/zinc/10/11/71/1291101171.db2.gz CDZQXHOSKTUIMW-UHFFFAOYSA-N -1 1 355.398 0.563 10 0 FCAEMM CCOC(=O)C(NC(=O)OC(C)(C)C)=C([O-])N=S1(=O)CCOCC1 ZINC001648457968 1291121949 /nfs/dbraw/zinc/12/19/49/1291121949.db2.gz CJOZDKPNCTWTMZ-JTQLQIEISA-N -1 1 364.420 0.468 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2 ZINC001648504603 1291126862 /nfs/dbraw/zinc/12/68/62/1291126862.db2.gz SBMCXUAEFUKVMI-OAHLLOKOSA-N -1 1 364.383 0.627 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2 ZINC001648504603 1291126867 /nfs/dbraw/zinc/12/68/67/1291126867.db2.gz SBMCXUAEFUKVMI-OAHLLOKOSA-N -1 1 364.383 0.627 10 0 FCAEMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001651148370 1291198932 /nfs/dbraw/zinc/19/89/32/1291198932.db2.gz RONBPMONOBQMJT-WPRPVWTQSA-N -1 1 363.340 0.628 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001651181978 1291203143 /nfs/dbraw/zinc/20/31/43/1291203143.db2.gz IIQKJEKLCZYLRC-ZDUSSCGKSA-N -1 1 371.401 0.325 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001651218421 1291208638 /nfs/dbraw/zinc/20/86/38/1291208638.db2.gz KRLDCGZLUIZQIY-CYBMUJFWSA-N -1 1 372.404 0.925 10 0 FCAEMM CN(Cc1ncc(Br)cn1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001651785915 1291239145 /nfs/dbraw/zinc/23/91/45/1291239145.db2.gz BYUAEWWLEIQXIK-UHFFFAOYSA-N -1 1 368.191 0.138 10 0 FCAEMM COC[C@@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1nn[n-]n1 ZINC001651846941 1291243470 /nfs/dbraw/zinc/24/34/70/1291243470.db2.gz RHXMENMGDNZEAI-LLVKDONJSA-N -1 1 350.310 0.413 10 0 FCAEMM O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651874019 1291246616 /nfs/dbraw/zinc/24/66/16/1291246616.db2.gz CAMYFVOGWNPGDJ-GFCCVEGCSA-N -1 1 353.386 0.391 10 0 FCAEMM NC(=O)N[C@@H](CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)c1cccs1 ZINC001651874313 1291246714 /nfs/dbraw/zinc/24/67/14/1291246714.db2.gz KQBQGBURXKFQCF-QWRGUYRKSA-N -1 1 363.447 0.842 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]c1=O ZINC001653331940 1291337322 /nfs/dbraw/zinc/33/73/22/1291337322.db2.gz AXHQOYKPEMIMAL-ZYHUDNBSSA-N -1 1 372.385 0.631 10 0 FCAEMM CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001653569921 1291354122 /nfs/dbraw/zinc/35/41/22/1291354122.db2.gz VRQNMWQNULMCSH-DEOSSOPVSA-N -1 1 357.484 0.335 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2c(Br)cnn2CC)n[n-]1 ZINC001654490539 1291413870 /nfs/dbraw/zinc/41/38/70/1291413870.db2.gz XENQEWULTCWSJU-UHFFFAOYSA-N -1 1 371.195 0.890 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2c(Br)cnn2CC)n1 ZINC001654490539 1291413875 /nfs/dbraw/zinc/41/38/75/1291413875.db2.gz XENQEWULTCWSJU-UHFFFAOYSA-N -1 1 371.195 0.890 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC1CN(CCC[N-]C(=O)C(F)(F)F)C1 ZINC001665148246 1291839879 /nfs/dbraw/zinc/83/98/79/1291839879.db2.gz KXQAOIMPHCJWES-PWSUYJOCSA-N -1 1 351.369 0.671 10 0 FCAEMM COC[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@H](C)O1 ZINC001675456656 1292177724 /nfs/dbraw/zinc/17/77/24/1292177724.db2.gz MWLPGVQEZPNOBB-WDEREUQCSA-N -1 1 352.391 0.200 10 0 FCAEMM CCOC(OCC)[C@@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684870114 1292347867 /nfs/dbraw/zinc/34/78/67/1292347867.db2.gz WILAHQNGOQEMIM-SNVBAGLBSA-N -1 1 354.407 0.842 10 0 FCAEMM CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001684970858 1292386198 /nfs/dbraw/zinc/38/61/98/1292386198.db2.gz CMTXBVXAYSECPJ-LLVKDONJSA-N -1 1 356.810 0.885 10 0 FCAEMM CNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001686164915 1292794732 /nfs/dbraw/zinc/79/47/32/1292794732.db2.gz IKBNCSREBSTBCL-RTXFEEFZSA-N -1 1 373.413 0.057 10 0 FCAEMM COc1ccc(NC(=O)[C@@H]2CSCN2C(C)=O)cc1[N-]S(C)(=O)=O ZINC000751314734 836479784 /nfs/dbraw/zinc/47/97/84/836479784.db2.gz GDJUVFFPZVOOPA-LBPRGKRZSA-N -1 1 373.456 0.927 10 0 FCAEMM C[C@H]1CCN(C(=O)NC[C@H]2COCCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804970952 836495694 /nfs/dbraw/zinc/49/56/94/836495694.db2.gz RDVXHQUBYSRQLH-BJDJZHNGSA-N -1 1 367.368 0.889 10 0 FCAEMM COCc1ccc(OC)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC001118295866 847368020 /nfs/dbraw/zinc/36/80/20/847368020.db2.gz YTMQGRFPANFIKV-UHFFFAOYSA-N -1 1 372.443 0.623 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CSCN3C(=O)C(C)(C)C)nc2n1 ZINC001118784780 847580494 /nfs/dbraw/zinc/58/04/94/847580494.db2.gz XRLPCPXAEPCGAA-SECBINFHSA-N -1 1 364.431 0.612 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1ccc(Br)nc1F)N1CCCC1 ZINC001118811564 847587801 /nfs/dbraw/zinc/58/78/01/847587801.db2.gz CITJUBRGSHDQSL-UHFFFAOYSA-N -1 1 366.212 0.884 10 0 FCAEMM COc1ccc(NC(=O)[C@]2(C)CCNC(=O)C2)cc1[N-]S(C)(=O)=O ZINC001136149613 849208340 /nfs/dbraw/zinc/20/83/40/849208340.db2.gz QZLPHKGSHHAYPQ-OAHLLOKOSA-N -1 1 355.416 0.922 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCc1nn[n-]n1 ZINC001136627485 849231057 /nfs/dbraw/zinc/23/10/57/849231057.db2.gz LDGKPCLGMNAIOU-NSHDSACASA-N -1 1 352.395 0.232 10 0 FCAEMM CS(=O)(=O)CCOCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136830089 849244279 /nfs/dbraw/zinc/24/42/79/849244279.db2.gz MWALSXRNOSBXDO-UHFFFAOYSA-N -1 1 356.375 0.871 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCNC2=O)c1 ZINC001137774612 849283123 /nfs/dbraw/zinc/28/31/23/849283123.db2.gz BUUHFYGXPMORDD-LBPRGKRZSA-N -1 1 369.443 0.887 10 0 FCAEMM CNc1cnc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cn1 ZINC001137783810 849284009 /nfs/dbraw/zinc/28/40/09/849284009.db2.gz KLDKIHYMIZFRLP-UHFFFAOYSA-N -1 1 363.399 0.917 10 0 FCAEMM C[C@]1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCNC1=O ZINC001137782910 849284409 /nfs/dbraw/zinc/28/44/09/849284409.db2.gz XAUFCBGHEHFTJE-HNNXBMFYSA-N -1 1 353.400 0.298 10 0 FCAEMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001139657043 849344688 /nfs/dbraw/zinc/34/46/88/849344688.db2.gz FDHOGLXWBRIJHC-QWRGUYRKSA-N -1 1 357.432 0.390 10 0 FCAEMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1N=NC(=O)N1C ZINC001143929154 849504884 /nfs/dbraw/zinc/50/48/84/849504884.db2.gz YAQTZWBAYDHAFV-MRVPVSSYSA-N -1 1 371.419 0.682 10 0 FCAEMM C[C@H](NC(=O)c1ncc(Br)cc1[O-])[C@H]1CN(C)CCN1C ZINC001147353074 849579585 /nfs/dbraw/zinc/57/95/85/849579585.db2.gz UMPKPZBVTGPKPV-GXSJLCMTSA-N -1 1 357.252 0.914 10 0 FCAEMM C[C@@H]1CCN(C(=O)CC2C(=O)N=CNC2=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001148929491 849623153 /nfs/dbraw/zinc/62/31/53/849623153.db2.gz PFHKGMXZHJTNHE-APPZFPTMSA-N -1 1 362.308 0.346 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC001166125661 850462200 /nfs/dbraw/zinc/46/22/00/850462200.db2.gz CENIBGITWQOHMY-ZJUUUORDSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)[n-]1 ZINC001166125661 850462204 /nfs/dbraw/zinc/46/22/04/850462204.db2.gz CENIBGITWQOHMY-ZJUUUORDSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)n1 ZINC001166125661 850462210 /nfs/dbraw/zinc/46/22/10/850462210.db2.gz CENIBGITWQOHMY-ZJUUUORDSA-N -1 1 351.407 0.854 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)c2nn[n-]n2)O1 ZINC001167448697 850545759 /nfs/dbraw/zinc/54/57/59/850545759.db2.gz NLGLUWYZRYPJGI-GARJFASQSA-N -1 1 357.436 0.611 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(Br)cn1 ZINC001171879121 850698696 /nfs/dbraw/zinc/69/86/96/850698696.db2.gz NLOYEQFPTCHEGC-UHFFFAOYSA-N -1 1 365.187 0.991 10 0 FCAEMM Cc1sc(S(N)(=O)=O)cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001176593103 850793051 /nfs/dbraw/zinc/79/30/51/850793051.db2.gz CAXBNWHCPAKGKS-UHFFFAOYSA-N -1 1 358.449 0.515 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC001178126096 850886905 /nfs/dbraw/zinc/88/69/05/850886905.db2.gz NOYPXMHDVDYGLE-VXJOIVPMSA-N -1 1 352.347 0.247 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC001178126094 850887040 /nfs/dbraw/zinc/88/70/40/850887040.db2.gz NOYPXMHDVDYGLE-AYVTZFPOSA-N -1 1 352.347 0.247 10 0 FCAEMM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(I)cc1[O-] ZINC001178290790 850893314 /nfs/dbraw/zinc/89/33/14/850893314.db2.gz HCMFLVGKFLEFLU-IJRMOIDVSA-N -1 1 363.151 0.611 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@@H]2CCS(=O)(=O)C2)[n-]c1=O ZINC001180053848 851010074 /nfs/dbraw/zinc/01/00/74/851010074.db2.gz IHBVEPOZELYWLR-QWRGUYRKSA-N -1 1 355.416 0.679 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)[n-]c1=O ZINC001180053846 851010362 /nfs/dbraw/zinc/01/03/62/851010362.db2.gz IHBVEPOZELYWLR-GHMZBOCLSA-N -1 1 355.416 0.679 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cn2ncc(Br)c2C)n[n-]1 ZINC001183194460 851230961 /nfs/dbraw/zinc/23/09/61/851230961.db2.gz YWJQBMHKUXDHCQ-UHFFFAOYSA-N -1 1 371.195 0.565 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cn2ncc(Br)c2C)n1 ZINC001183194460 851230965 /nfs/dbraw/zinc/23/09/65/851230965.db2.gz YWJQBMHKUXDHCQ-UHFFFAOYSA-N -1 1 371.195 0.565 10 0 FCAEMM O=C(NCc1cnc(Cl)cn1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235545398 857427488 /nfs/dbraw/zinc/42/74/88/857427488.db2.gz NXYFGBVLJJOVPM-UHFFFAOYSA-N -1 1 350.766 0.698 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CCS(=O)CC1 ZINC001254490139 857974544 /nfs/dbraw/zinc/97/45/44/857974544.db2.gz VXOPLBYJSVZUQV-UHFFFAOYSA-N -1 1 354.432 0.307 10 0 FCAEMM CC(C)CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001281645980 863573266 /nfs/dbraw/zinc/57/32/66/863573266.db2.gz WEKAANCYTYCERY-YRGRVCCFSA-N -1 1 351.403 0.150 10 0 FCAEMM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001290115715 865334480 /nfs/dbraw/zinc/33/44/80/865334480.db2.gz BYIUPBMOAYJDLG-UHFFFAOYSA-N -1 1 352.420 0.848 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001290946012 865567179 /nfs/dbraw/zinc/56/71/79/865567179.db2.gz WIOMVSWQVXXTLR-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC001292325845 865729655 /nfs/dbraw/zinc/72/96/55/865729655.db2.gz LMZLYKBYKOFTRG-UHFFFAOYSA-N -1 1 362.459 0.791 10 0 FCAEMM Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nn[n-]n2)s1 ZINC001292846929 865756999 /nfs/dbraw/zinc/75/69/99/865756999.db2.gz QNXDUUJORLPLAG-QMMMGPOBSA-N -1 1 353.433 0.437 10 0 FCAEMM O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc([O-])c1F ZINC001293903186 865812521 /nfs/dbraw/zinc/81/25/21/865812521.db2.gz UATPMSASCRAXTN-LBPRGKRZSA-N -1 1 351.378 0.194 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001293964979 865814291 /nfs/dbraw/zinc/81/42/91/865814291.db2.gz IGXCGZSJSQKOEA-GLEZIHRCSA-N -1 1 365.415 0.321 10 0 FCAEMM C[C@H](OCc1ccncc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001295509500 865901690 /nfs/dbraw/zinc/90/16/90/865901690.db2.gz PNMJODFPMKWXRE-JTQLQIEISA-N -1 1 351.384 0.978 10 0 FCAEMM COc1ccc(C(=O)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1Cl ZINC001296953013 865997941 /nfs/dbraw/zinc/99/79/41/865997941.db2.gz GYHDMXMWWXJBQP-UHFFFAOYSA-N -1 1 365.777 0.555 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC001297176065 866011358 /nfs/dbraw/zinc/01/13/58/866011358.db2.gz OJJLEIFVNYEKKX-JTQLQIEISA-N -1 1 357.336 0.907 10 0 FCAEMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001297260181 866018259 /nfs/dbraw/zinc/01/82/59/866018259.db2.gz KIWXWFGALFSEMU-VXGBXAGGSA-N -1 1 371.459 0.699 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)CCc1nn[n-]n1)CC2 ZINC001298332509 866108396 /nfs/dbraw/zinc/10/83/96/866108396.db2.gz OZZBMLXDOYONJX-UHFFFAOYSA-N -1 1 350.423 0.992 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)/C=C(\C)CN2CCOCC2)[n-]c1=O ZINC001349447893 866343475 /nfs/dbraw/zinc/34/34/75/866343475.db2.gz WIFDPNSTALUAHV-FMIVXFBMSA-N -1 1 350.419 0.821 10 0 FCAEMM CCN1CCN(C2CN(C(=O)c3ccccc3[N-]S(C)(=O)=O)C2)CC1 ZINC001349483216 866355641 /nfs/dbraw/zinc/35/56/41/866355641.db2.gz AJUMQNJGTKNAOQ-UHFFFAOYSA-N -1 1 366.487 0.520 10 0 FCAEMM Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302936801 866365758 /nfs/dbraw/zinc/36/57/58/866365758.db2.gz JVVKVDODDWZSLA-SNVBAGLBSA-N -1 1 358.431 0.924 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001303199986 866387304 /nfs/dbraw/zinc/38/73/04/866387304.db2.gz WQNDWXQAXLZCJY-UHFFFAOYSA-N -1 1 352.420 0.287 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC001303200990 866390526 /nfs/dbraw/zinc/39/05/26/866390526.db2.gz IFSIXHPZRXNBEG-UHFFFAOYSA-N -1 1 352.345 0.893 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@@H]3CSCCS3)CC2)CCOC1 ZINC001351729557 866954049 /nfs/dbraw/zinc/95/40/49/866954049.db2.gz OQUXOECJIFUIPX-IUODEOHRSA-N -1 1 360.501 0.613 10 0 FCAEMM Cc1cc(C)n(CCC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001354030186 867537375 /nfs/dbraw/zinc/53/73/75/867537375.db2.gz AOAZQUKHHRQLIE-QGZVFWFLSA-N -1 1 350.419 0.278 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(=O)[n-]1 ZINC001321157756 868385570 /nfs/dbraw/zinc/38/55/70/868385570.db2.gz RQNMUFNKQUFLTK-MRXNPFEDSA-N -1 1 350.444 0.884 10 0 FCAEMM Cn1cnc2cc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)ccc21 ZINC001325836670 870054224 /nfs/dbraw/zinc/05/42/24/870054224.db2.gz QUKQHYIFOUIYQY-UHFFFAOYSA-N -1 1 352.416 0.354 10 0 FCAEMM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC001326187126 870201568 /nfs/dbraw/zinc/20/15/68/870201568.db2.gz GVFYWWRZGPWDGA-NSHDSACASA-N -1 1 369.443 0.848 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)[C@@H]1CCOC1 ZINC001327082044 870657820 /nfs/dbraw/zinc/65/78/20/870657820.db2.gz ZTSKBYYMEXMCDG-RKDXNWHRSA-N -1 1 353.491 0.731 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC001327385361 870832615 /nfs/dbraw/zinc/83/26/15/870832615.db2.gz BPUVATSWWHJOKP-BXKDBHETSA-N -1 1 360.388 0.367 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001328527422 871483961 /nfs/dbraw/zinc/48/39/61/871483961.db2.gz VUSSYZYRXWVYRZ-ZIQFBCGOSA-N -1 1 361.364 0.817 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCO[C@H](CC(N)=O)C2)c(=O)[n-]1 ZINC001329134728 871840232 /nfs/dbraw/zinc/84/02/32/871840232.db2.gz JNMCRTMTJUUOFM-SNVBAGLBSA-N -1 1 354.432 0.248 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](OC)[C@H]2CCOC2)cc1 ZINC001329489003 872062854 /nfs/dbraw/zinc/06/28/54/872062854.db2.gz JUKYLRUMQCENEH-WFASDCNBSA-N -1 1 351.355 0.546 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCN2CCOC[C@@]2(CO)C1 ZINC001347434120 872329379 /nfs/dbraw/zinc/32/93/79/872329379.db2.gz WARIRGLFLXBMOQ-HNNXBMFYSA-N -1 1 371.231 0.674 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H](C(N)=O)c2ccccn2)CCOCC1 ZINC001331569328 873148511 /nfs/dbraw/zinc/14/85/11/873148511.db2.gz FDPISARLLSQXLZ-CYBMUJFWSA-N -1 1 357.432 0.113 10 0 FCAEMM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccn(-c3ccncc3)n2)CO1 ZINC001331707461 873207550 /nfs/dbraw/zinc/20/75/50/873207550.db2.gz ADMJRPZMSQCQNK-LBPRGKRZSA-N -1 1 350.400 0.894 10 0 FCAEMM CS(=O)(=O)CCc1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC001332020651 873340223 /nfs/dbraw/zinc/34/02/23/873340223.db2.gz YOOYNBZSZKVLNX-UHFFFAOYSA-N -1 1 351.431 0.197 10 0 FCAEMM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)[C@@H](C(=O)[O-])C1 ZINC001332473289 873523429 /nfs/dbraw/zinc/52/34/29/873523429.db2.gz BGSDUALBHBTGEO-AAVRWANBSA-N -1 1 357.476 0.840 10 0 FCAEMM Cc1ncsc1/C=C/C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001332629508 873588943 /nfs/dbraw/zinc/58/89/43/873588943.db2.gz RFKXGTICCAMWPX-KZSQQDEKSA-N -1 1 351.428 0.853 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1 ZINC001333163318 873829217 /nfs/dbraw/zinc/82/92/17/873829217.db2.gz PPTBTYJCWPHOBK-UHFFFAOYSA-N -1 1 371.383 0.065 10 0 FCAEMM COC(=O)C1CC2(C1)CN(CC(=O)NCc1cccs1)C[C@@H]2C(=O)[O-] ZINC001333163348 873829354 /nfs/dbraw/zinc/82/93/54/873829354.db2.gz QTMFNPGXGVAMAX-OFKYTCTHSA-N -1 1 366.439 0.950 10 0 FCAEMM O=c1nc(C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)[nH][n-]1 ZINC000294697551 214261320 /nfs/dbraw/zinc/26/13/20/214261320.db2.gz UFMKDJIFWHZLMW-UHFFFAOYSA-N -1 1 366.428 0.671 10 0 FCAEMM CC(C)(CNC(=O)c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)CC1 ZINC000295364544 214293498 /nfs/dbraw/zinc/29/34/98/214293498.db2.gz WGLRAAJITMVEFN-UHFFFAOYSA-N -1 1 367.500 0.591 10 0 FCAEMM CNC(=O)Cc1nc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cs1 ZINC000195164874 529874832 /nfs/dbraw/zinc/87/48/32/529874832.db2.gz JYVGDUYGLJBOAQ-UHFFFAOYSA-N -1 1 357.461 0.821 10 0 FCAEMM CNC(=O)Cc1nc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cs1 ZINC000195164874 529874833 /nfs/dbraw/zinc/87/48/33/529874833.db2.gz JYVGDUYGLJBOAQ-UHFFFAOYSA-N -1 1 357.461 0.821 10 0 FCAEMM CNC(=O)Cc1nc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cs1 ZINC000195164874 529874835 /nfs/dbraw/zinc/87/48/35/529874835.db2.gz JYVGDUYGLJBOAQ-UHFFFAOYSA-N -1 1 357.461 0.821 10 0 FCAEMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1cnn([C@@H]2CCOC2)c1 ZINC000328984770 214813188 /nfs/dbraw/zinc/81/31/88/214813188.db2.gz GGLJXCQMWQCPMH-MWLCHTKSSA-N -1 1 355.338 0.844 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000930582991 674041726 /nfs/dbraw/zinc/04/17/26/674041726.db2.gz SMJGPCIHNDADKD-ZUZCIYMTSA-N -1 1 356.369 0.996 10 0 FCAEMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1 ZINC000284991743 213262776 /nfs/dbraw/zinc/26/27/76/213262776.db2.gz MTBFIAWFGYLAKV-CVEARBPZSA-N -1 1 367.471 0.912 10 0 FCAEMM CCn1nccc1CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000931035164 674088704 /nfs/dbraw/zinc/08/87/04/674088704.db2.gz GZXNGTBCMBJQEQ-UHFFFAOYSA-N -1 1 352.341 0.862 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)co1 ZINC000283727643 213000161 /nfs/dbraw/zinc/00/01/61/213000161.db2.gz VWKGVDMSLXIOOZ-RISCZKNCSA-N -1 1 372.443 0.485 10 0 FCAEMM COc1ccnc(N2CCN(C(=O)c3cc(F)cc4nn[nH]c43)CC2)n1 ZINC000277796902 212397859 /nfs/dbraw/zinc/39/78/59/212397859.db2.gz VKLJNCGNUBJKOD-UHFFFAOYSA-N -1 1 357.349 0.858 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)n1 ZINC000277595819 212378314 /nfs/dbraw/zinc/37/83/14/212378314.db2.gz DTFAKFSIDYDANU-VIFPVBQESA-N -1 1 353.404 0.512 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n1 ZINC000277595815 212378121 /nfs/dbraw/zinc/37/81/21/212378121.db2.gz DTFAKFSIDYDANU-SECBINFHSA-N -1 1 353.404 0.512 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)o1 ZINC000276355780 212218470 /nfs/dbraw/zinc/21/84/70/212218470.db2.gz IINCFIHNXQMYBY-KWBADKCTSA-N -1 1 356.400 0.601 10 0 FCAEMM O=C([O-])C[N@H+]1CCCN(S(=O)(=O)c2c[n-]c3nccc(Cl)c23)CC1 ZINC000275374469 212014465 /nfs/dbraw/zinc/01/44/65/212014465.db2.gz WRNPRQFNYJYNNX-UHFFFAOYSA-N -1 1 372.834 0.997 10 0 FCAEMM C[C@H]1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CO1 ZINC000438963238 248103805 /nfs/dbraw/zinc/10/38/05/248103805.db2.gz FLYHLCCUSNFYQG-RYUDHWBXSA-N -1 1 370.427 0.777 10 0 FCAEMM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H](C)CO ZINC000443257991 248317325 /nfs/dbraw/zinc/31/73/25/248317325.db2.gz RVWCSGJQTUWJSZ-RKDXNWHRSA-N -1 1 354.425 0.492 10 0 FCAEMM Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000452793721 249332097 /nfs/dbraw/zinc/33/20/97/249332097.db2.gz HQPQIFFAFJJZEE-NSHDSACASA-N -1 1 361.402 0.321 10 0 FCAEMM CC(C)C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000470975409 250083833 /nfs/dbraw/zinc/08/38/33/250083833.db2.gz MHSFNRYAGKIMDS-JHJVBQTASA-N -1 1 372.429 0.671 10 0 FCAEMM Cc1oc(C(=O)NC2(c3nn[n-]n3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000470981104 250085005 /nfs/dbraw/zinc/08/50/05/250085005.db2.gz DOLWEAULWDJXRE-UHFFFAOYSA-N -1 1 366.403 0.305 10 0 FCAEMM COCCOCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1C ZINC000269938973 211121080 /nfs/dbraw/zinc/12/10/80/211121080.db2.gz FTYPLYHXYQIADP-UHFFFAOYSA-N -1 1 351.446 0.803 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccc(OC)cc1OC ZINC000472618733 250167286 /nfs/dbraw/zinc/16/72/86/250167286.db2.gz XXADSHOEIPAUAS-CYBMUJFWSA-N -1 1 355.372 0.620 10 0 FCAEMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000473140921 250203069 /nfs/dbraw/zinc/20/30/69/250203069.db2.gz DHUYQXNAQBTNFH-GXSJLCMTSA-N -1 1 366.399 0.968 10 0 FCAEMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000473140921 250203072 /nfs/dbraw/zinc/20/30/72/250203072.db2.gz DHUYQXNAQBTNFH-GXSJLCMTSA-N -1 1 366.399 0.968 10 0 FCAEMM CCOc1ccccc1C(=O)NCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000474132732 250271761 /nfs/dbraw/zinc/27/17/61/250271761.db2.gz MTJGQABNYKRRSV-UHFFFAOYSA-N -1 1 358.402 0.914 10 0 FCAEMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000410027117 533011237 /nfs/dbraw/zinc/01/12/37/533011237.db2.gz CCOSWXKJHGELKN-CHWSQXEVSA-N -1 1 372.425 0.926 10 0 FCAEMM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000088199786 208114497 /nfs/dbraw/zinc/11/44/97/208114497.db2.gz LCGQVACUIGBBGY-SECBINFHSA-N -1 1 353.404 0.607 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088232 208272510 /nfs/dbraw/zinc/27/25/10/208272510.db2.gz OCWKLPJAMUNBIM-CQSZACIVSA-N -1 1 370.413 0.306 10 0 FCAEMM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000129519468 208510313 /nfs/dbraw/zinc/51/03/13/208510313.db2.gz OMPIHLDXNGSHHA-UHFFFAOYSA-N -1 1 353.386 0.735 10 0 FCAEMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)C2 ZINC000180600905 209098848 /nfs/dbraw/zinc/09/88/48/209098848.db2.gz OODCCBBHJQDFJU-NHYWBVRUSA-N -1 1 363.439 0.604 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N1CCNC(=O)[C@H]1c1ccccc1)c2=O ZINC000179466650 209081810 /nfs/dbraw/zinc/08/18/10/209081810.db2.gz YOROAYDSXAMBMG-CQSZACIVSA-N -1 1 351.366 0.987 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1=O ZINC000935037633 674305442 /nfs/dbraw/zinc/30/54/42/674305442.db2.gz XXRSRZSEPRHNOZ-QMMMGPOBSA-N -1 1 367.207 0.681 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@H]2C)c(Br)n1C ZINC000287431168 488868905 /nfs/dbraw/zinc/86/89/05/488868905.db2.gz PZRIPXYQIPVCBA-XPUUQOCRSA-N -1 1 365.253 0.436 10 0 FCAEMM NC(=O)c1cn(C2CN(C(=O)c3ccc(Br)cc3[O-])C2)nn1 ZINC000364095992 488922519 /nfs/dbraw/zinc/92/25/19/488922519.db2.gz PXGRUEZBILBRBG-UHFFFAOYSA-N -1 1 366.175 0.542 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000328648414 488926485 /nfs/dbraw/zinc/92/64/85/488926485.db2.gz UMQCNQGYTHNYHS-DZGCQCFKSA-N -1 1 369.425 0.973 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)c(F)c1 ZINC000015330304 487579418 /nfs/dbraw/zinc/57/94/18/487579418.db2.gz MPBNBSOGAHZAAY-MRVPVSSYSA-N -1 1 359.354 0.402 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccn3)CC2)o1 ZINC000046620280 487987323 /nfs/dbraw/zinc/98/73/23/487987323.db2.gz VCYIBGYBRRSLBG-UHFFFAOYSA-N -1 1 364.427 0.982 10 0 FCAEMM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067554804 488352794 /nfs/dbraw/zinc/35/27/94/488352794.db2.gz HRHVHXFGYBEYNO-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM Cc1cnn(C[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)c1 ZINC000112104181 488533078 /nfs/dbraw/zinc/53/30/78/488533078.db2.gz GNRORZNRHSYWHK-CYBMUJFWSA-N -1 1 353.382 0.969 10 0 FCAEMM CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)CC2 ZINC000114871373 488542629 /nfs/dbraw/zinc/54/26/29/488542629.db2.gz COIINYINEVQROD-VIFPVBQESA-N -1 1 353.404 0.086 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127511102 488617404 /nfs/dbraw/zinc/61/74/04/488617404.db2.gz FCVUHNCOTNNRAL-CQSZACIVSA-N -1 1 359.430 0.161 10 0 FCAEMM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131241548 488644183 /nfs/dbraw/zinc/64/41/83/488644183.db2.gz OFBFVVNZYCLEKR-UHFFFAOYSA-N -1 1 363.842 0.922 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCN(c3cccnn3)C1)c2=O ZINC000132730430 488654924 /nfs/dbraw/zinc/65/49/24/488654924.db2.gz UCWNRAABJXARBO-NSHDSACASA-N -1 1 353.386 0.863 10 0 FCAEMM Cc1nc2nc(S(=O)(=O)C[C@@H](O)CO)[n-]c2cc1Br ZINC000152025479 488712501 /nfs/dbraw/zinc/71/25/01/488712501.db2.gz SHXCMPXSHSGKRK-LURJTMIESA-N -1 1 350.194 0.156 10 0 FCAEMM Cc1[n-]c2nc(S(=O)(=O)C[C@@H](O)CO)nc-2cc1Br ZINC000152025479 488712504 /nfs/dbraw/zinc/71/25/04/488712504.db2.gz SHXCMPXSHSGKRK-LURJTMIESA-N -1 1 350.194 0.156 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000134193075 488665745 /nfs/dbraw/zinc/66/57/45/488665745.db2.gz PGMDWZGSUHHXCT-SNVBAGLBSA-N -1 1 367.431 0.647 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000137570771 488681254 /nfs/dbraw/zinc/68/12/54/488681254.db2.gz YTUQENRLWCZZIR-OCCSQVGLSA-N -1 1 359.430 0.732 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccccc1)c1nn[n-]n1 ZINC000274731480 488730641 /nfs/dbraw/zinc/73/06/41/488730641.db2.gz CUARLXLFHHNALL-DGCLKSJQSA-N -1 1 360.443 0.977 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000274898375 488742008 /nfs/dbraw/zinc/74/20/08/488742008.db2.gz HMQVBKVCNVULFW-ZDUSSCGKSA-N -1 1 351.384 0.709 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274989588 488751118 /nfs/dbraw/zinc/75/11/18/488751118.db2.gz MODWJHXBLMAFEK-GFCCVEGCSA-N -1 1 356.400 0.633 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c(OC)c1 ZINC000275005722 488752608 /nfs/dbraw/zinc/75/26/08/488752608.db2.gz PAJVWEDGODLZGK-CYBMUJFWSA-N -1 1 372.443 0.921 10 0 FCAEMM Cn1c2ccccc2n(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1=O ZINC000155537198 488756178 /nfs/dbraw/zinc/75/61/78/488756178.db2.gz MJNUPMVCCHXHSU-LBPRGKRZSA-N -1 1 355.402 0.649 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1nnc2n1CCCC2 ZINC000166289642 488811500 /nfs/dbraw/zinc/81/15/00/488811500.db2.gz RNDCQJGQAYZZHD-UHFFFAOYSA-N -1 1 369.429 0.469 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000171673248 488825420 /nfs/dbraw/zinc/82/54/20/488825420.db2.gz DSAMLNNRVBOZTB-UHFFFAOYSA-N -1 1 373.457 0.945 10 0 FCAEMM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176761250 488858748 /nfs/dbraw/zinc/85/87/48/488858748.db2.gz NCHVMKQGOHJPSN-DOMZBBRYSA-N -1 1 359.430 0.992 10 0 FCAEMM COCCN1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1=O ZINC000364968733 489024691 /nfs/dbraw/zinc/02/46/91/489024691.db2.gz DXDDRUPUQQYQLQ-UHFFFAOYSA-N -1 1 358.398 0.965 10 0 FCAEMM COCCN1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1=O ZINC000364968733 489024697 /nfs/dbraw/zinc/02/46/97/489024697.db2.gz DXDDRUPUQQYQLQ-UHFFFAOYSA-N -1 1 358.398 0.965 10 0 FCAEMM COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289462979 489068815 /nfs/dbraw/zinc/06/88/15/489068815.db2.gz QFNBOQKREIOACZ-KGLIPLIRSA-N -1 1 374.397 0.978 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000290606971 489152611 /nfs/dbraw/zinc/15/26/11/489152611.db2.gz ZXASIQMRAAHEJN-UHFFFAOYSA-N -1 1 374.390 0.603 10 0 FCAEMM C[C@H]1CCN(C(=O)C2=NN(C)C(=O)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000290747114 489163161 /nfs/dbraw/zinc/16/31/61/489163161.db2.gz ZEMMVRHCCGRRBN-AUTRQRHGSA-N -1 1 362.352 0.899 10 0 FCAEMM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C1=O ZINC000282957856 489201869 /nfs/dbraw/zinc/20/18/69/489201869.db2.gz QZOYBJJQJROOCR-RYUDHWBXSA-N -1 1 371.397 0.618 10 0 FCAEMM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282968434 489202538 /nfs/dbraw/zinc/20/25/38/489202538.db2.gz RYMXXMGSFSWFLY-MRXNPFEDSA-N -1 1 371.441 0.895 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2COC(=O)N2)c1 ZINC000283074291 489213123 /nfs/dbraw/zinc/21/31/23/489213123.db2.gz ASTGSFZPBSJBBM-NSHDSACASA-N -1 1 357.388 0.470 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000368136653 489215765 /nfs/dbraw/zinc/21/57/65/489215765.db2.gz WAXSGYQZEHLVND-LBPRGKRZSA-N -1 1 350.400 1.039 10 0 FCAEMM CCO[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298683849 489352372 /nfs/dbraw/zinc/35/23/72/489352372.db2.gz BONITBRBXQFHCR-IUODEOHRSA-N -1 1 370.427 0.777 10 0 FCAEMM O=c1nc([C@@H]2CCCN(CCS(=O)(=O)Cc3ccccc3)C2)[nH][n-]1 ZINC000298698167 489354442 /nfs/dbraw/zinc/35/44/42/489354442.db2.gz ZSDYYVOFPNTVHW-CQSZACIVSA-N -1 1 350.444 0.892 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnsn1 ZINC000298968117 489388974 /nfs/dbraw/zinc/38/89/74/489388974.db2.gz PWWAQCPVHWTFRA-UHFFFAOYSA-N -1 1 370.412 0.517 10 0 FCAEMM CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299170939 489412861 /nfs/dbraw/zinc/41/28/61/489412861.db2.gz SAYGONAZFOFNSE-NSHDSACASA-N -1 1 358.416 0.777 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451200665 489492761 /nfs/dbraw/zinc/49/27/61/489492761.db2.gz YUWMTPBTZJGUER-SECBINFHSA-N -1 1 365.864 0.417 10 0 FCAEMM C[C@H]1CN(CCO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000457121586 489636362 /nfs/dbraw/zinc/63/63/62/489636362.db2.gz LQLRZWHRSWFTNE-LBPRGKRZSA-N -1 1 373.475 0.495 10 0 FCAEMM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000563802785 491269636 /nfs/dbraw/zinc/26/96/36/491269636.db2.gz YIKFTFYJHFTOSE-JTQLQIEISA-N -1 1 361.333 0.160 10 0 FCAEMM O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000563802785 491269639 /nfs/dbraw/zinc/26/96/39/491269639.db2.gz YIKFTFYJHFTOSE-JTQLQIEISA-N -1 1 361.333 0.160 10 0 FCAEMM COCCOc1ccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000430635319 489759203 /nfs/dbraw/zinc/75/92/03/489759203.db2.gz VDTAASYRIVKCAZ-UHFFFAOYSA-N -1 1 354.388 0.415 10 0 FCAEMM COCCOc1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000430635319 489759207 /nfs/dbraw/zinc/75/92/07/489759207.db2.gz VDTAASYRIVKCAZ-UHFFFAOYSA-N -1 1 354.388 0.415 10 0 FCAEMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477033114 489933347 /nfs/dbraw/zinc/93/33/47/489933347.db2.gz DXKVKZMAYZSNRQ-UHFFFAOYSA-N -1 1 364.431 0.290 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)CCCC1 ZINC000571206017 491292540 /nfs/dbraw/zinc/29/25/40/491292540.db2.gz HXGCNKVTOUNGSL-AWEZNQCLSA-N -1 1 365.473 0.688 10 0 FCAEMM O=C(C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccc([O-])cc1 ZINC000436746151 490011702 /nfs/dbraw/zinc/01/17/02/490011702.db2.gz FYRSCLUYLHFMML-LBPRGKRZSA-N -1 1 366.439 0.895 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)o1 ZINC000479187533 490072012 /nfs/dbraw/zinc/07/20/12/490072012.db2.gz OQRSTKSJCDHKDK-UHFFFAOYSA-N -1 1 354.388 0.515 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)sc1C ZINC000532798435 490117938 /nfs/dbraw/zinc/11/79/38/490117938.db2.gz WXKHPQOTYGELLR-SNVBAGLBSA-N -1 1 353.491 0.320 10 0 FCAEMM Cc1nc2nc(S(=O)(=O)Cc3nnnn3C)[n-]c2cc1Br ZINC000480005581 490148228 /nfs/dbraw/zinc/14/82/28/490148228.db2.gz YXQQXLQIHFHAKG-UHFFFAOYSA-N -1 1 372.208 0.526 10 0 FCAEMM Cc1[n-]c2nc(S(=O)(=O)Cc3nnnn3C)nc-2cc1Br ZINC000480005581 490148246 /nfs/dbraw/zinc/14/82/46/490148246.db2.gz YXQQXLQIHFHAKG-UHFFFAOYSA-N -1 1 372.208 0.526 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)o1 ZINC000407958029 490187627 /nfs/dbraw/zinc/18/76/27/490187627.db2.gz QMMVMBXLERNJAA-GHMZBOCLSA-N -1 1 369.443 0.707 10 0 FCAEMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC(=O)N1C ZINC000407971886 490190207 /nfs/dbraw/zinc/19/02/07/490190207.db2.gz RHGQKBOQSQNECU-JTQLQIEISA-N -1 1 357.432 0.659 10 0 FCAEMM Cn1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000497942965 490235643 /nfs/dbraw/zinc/23/56/43/490235643.db2.gz CWCCSXFXTOKKLU-UHFFFAOYSA-N -1 1 362.408 0.409 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000533572887 490258972 /nfs/dbraw/zinc/25/89/72/490258972.db2.gz VYZZABSBTGZBNX-LLVKDONJSA-N -1 1 350.404 0.128 10 0 FCAEMM C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000408295902 490298650 /nfs/dbraw/zinc/29/86/50/490298650.db2.gz XWXCWQJFLORNNW-SNVBAGLBSA-N -1 1 357.432 0.707 10 0 FCAEMM Cn1cnc2cc(S(=O)(=O)N[C@@H](CN3CCCCC3)C(=O)[O-])ccc21 ZINC000547571120 490321109 /nfs/dbraw/zinc/32/11/09/490321109.db2.gz UEXHMWJGLCQBMK-AWEZNQCLSA-N -1 1 366.443 0.791 10 0 FCAEMM CO[C@@H](C)[C@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000468270631 490378009 /nfs/dbraw/zinc/37/80/09/490378009.db2.gz OLSVPCAALILJLQ-AAEUAGOBSA-N -1 1 352.435 0.799 10 0 FCAEMM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000548275564 490455513 /nfs/dbraw/zinc/45/55/13/490455513.db2.gz ZRRQLQOEIGUQTP-RYUDHWBXSA-N -1 1 350.462 0.859 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(OC)c(O)c(OC)c2)co1 ZINC000535933147 490541560 /nfs/dbraw/zinc/54/15/60/490541560.db2.gz ZMZDFYYDDGGFHV-UHFFFAOYSA-N -1 1 370.383 0.841 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000485588303 490545639 /nfs/dbraw/zinc/54/56/39/490545639.db2.gz JNRGEAQSOQCCMC-NXEZZACHSA-N -1 1 360.370 0.109 10 0 FCAEMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000548946268 490556230 /nfs/dbraw/zinc/55/62/30/490556230.db2.gz HAJFLRSSERHFDK-UHFFFAOYSA-N -1 1 364.362 1.094 10 0 FCAEMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000548946268 490556235 /nfs/dbraw/zinc/55/62/35/490556235.db2.gz HAJFLRSSERHFDK-UHFFFAOYSA-N -1 1 364.362 1.094 10 0 FCAEMM CC(C)(C)OC(=O)c1cnc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1 ZINC000549346747 490577400 /nfs/dbraw/zinc/57/74/00/490577400.db2.gz XKCFKAMSAKXVGB-JTQLQIEISA-N -1 1 359.390 0.965 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCC3(O)CCS(=O)(=O)CC3)cnc2n1 ZINC000511542521 490601603 /nfs/dbraw/zinc/60/16/03/490601603.db2.gz TXOSKJNRXSWVFW-UHFFFAOYSA-N -1 1 365.411 0.313 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)NCC3(O)CCS(=O)(=O)CC3)c[n-]c2n1 ZINC000511542521 490601608 /nfs/dbraw/zinc/60/16/08/490601608.db2.gz TXOSKJNRXSWVFW-UHFFFAOYSA-N -1 1 365.411 0.313 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1=O ZINC000549774362 490603131 /nfs/dbraw/zinc/60/31/31/490603131.db2.gz RWQUKPVUOZCVFR-IWSPIJDZSA-N -1 1 366.365 0.727 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000486409276 490620915 /nfs/dbraw/zinc/62/09/15/490620915.db2.gz PQZGRTVCPPGRPJ-UHFFFAOYSA-N -1 1 369.429 0.434 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)cc1[N-]S(C)(=O)=O ZINC000538098593 490711084 /nfs/dbraw/zinc/71/10/84/490711084.db2.gz JDVJKVBEDOLUKE-ZJUUUORDSA-N -1 1 373.431 0.138 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1 ZINC000538224531 490720591 /nfs/dbraw/zinc/72/05/91/490720591.db2.gz BXSCKEMIWPZWLZ-SECBINFHSA-N -1 1 354.392 0.063 10 0 FCAEMM COc1ccc(NC(=O)NC[C@@H](O)[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000528995289 490836270 /nfs/dbraw/zinc/83/62/70/490836270.db2.gz IKAXXEAUSUDGNA-TZMCWYRMSA-N -1 1 373.431 0.728 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)co1 ZINC000529623640 490863692 /nfs/dbraw/zinc/86/36/92/490863692.db2.gz QFOPHCMTMPQRLK-SECBINFHSA-N -1 1 366.321 0.918 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000530191022 490892697 /nfs/dbraw/zinc/89/26/97/490892697.db2.gz YGRJXRRQLCZGFK-UHFFFAOYSA-N -1 1 362.411 0.173 10 0 FCAEMM O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC1(c2nn[n-]n2)CC1 ZINC000517644355 490915586 /nfs/dbraw/zinc/91/55/86/490915586.db2.gz LEEYLYORNRSESD-UHFFFAOYSA-N -1 1 368.394 0.203 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CCC3)n2C)o1 ZINC000543418833 490932482 /nfs/dbraw/zinc/93/24/82/490932482.db2.gz AUIGIASDWAFQSC-UHFFFAOYSA-N -1 1 353.404 0.514 10 0 FCAEMM CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530974025 490934277 /nfs/dbraw/zinc/93/42/77/490934277.db2.gz CPPROKDNUVWQTQ-SNVBAGLBSA-N -1 1 365.415 0.293 10 0 FCAEMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000518844383 490953566 /nfs/dbraw/zinc/95/35/66/490953566.db2.gz GLVWOFCFTIBDSX-CYBMUJFWSA-N -1 1 363.414 0.798 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@H]1n1cccn1 ZINC000572494733 491373821 /nfs/dbraw/zinc/37/38/21/491373821.db2.gz LIQMJCYZOOZDOY-MPKXVKKWSA-N -1 1 369.399 0.960 10 0 FCAEMM COC(=O)CC1(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000573856009 491459408 /nfs/dbraw/zinc/45/94/08/491459408.db2.gz HKYPTMCWRPPCNE-UHFFFAOYSA-N -1 1 356.382 0.895 10 0 FCAEMM COC(=O)[C@H](C[N-]S(=O)(=O)c1c(N)noc1C)Cc1cccc(F)c1 ZINC000567313312 491499019 /nfs/dbraw/zinc/49/90/19/491499019.db2.gz XHLATHMPPGPOKY-NSHDSACASA-N -1 1 371.390 1.015 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000576561772 491624805 /nfs/dbraw/zinc/62/48/05/491624805.db2.gz UEMYOLGHXPFPDO-GAJTVXKRSA-N -1 1 357.414 0.720 10 0 FCAEMM COCc1ncc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])c(N)n1 ZINC000577637892 491639034 /nfs/dbraw/zinc/63/90/34/491639034.db2.gz BKNOMCKZQKOOPF-UHFFFAOYSA-N -1 1 354.370 1.092 10 0 FCAEMM COCc1ncc(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)c(N)n1 ZINC000577637892 491639036 /nfs/dbraw/zinc/63/90/36/491639036.db2.gz BKNOMCKZQKOOPF-UHFFFAOYSA-N -1 1 354.370 1.092 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C1CC1 ZINC000569217816 491642690 /nfs/dbraw/zinc/64/26/90/491642690.db2.gz UQPQNAKRQCQEOQ-QWRGUYRKSA-N -1 1 370.435 0.896 10 0 FCAEMM CCc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1Cc1ccc(F)cc1 ZINC000578244682 491673214 /nfs/dbraw/zinc/67/32/14/491673214.db2.gz BPTZPBUEHDCDDP-UHFFFAOYSA-N -1 1 356.365 0.960 10 0 FCAEMM CCS(=O)(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H](C)C1 ZINC000578550304 491679800 /nfs/dbraw/zinc/67/98/00/491679800.db2.gz VAYUINNSNBHMHI-LLVKDONJSA-N -1 1 364.427 0.419 10 0 FCAEMM NS(=O)(=O)c1cccc(-c2ccc([C@H](O)CO)cc2)c1-c1nn[n-]n1 ZINC000584611707 491708926 /nfs/dbraw/zinc/70/89/26/491708926.db2.gz QRUSDNQCTDTOQC-GFCCVEGCSA-N -1 1 361.383 0.207 10 0 FCAEMM O=c1[n-]c(C2CCN(CC3=Nc4ccccc4S(=O)(=O)N3)CC2)n[nH]1 ZINC000580240465 491723175 /nfs/dbraw/zinc/72/31/75/491723175.db2.gz NNYWGDXCABFYMU-UHFFFAOYSA-N -1 1 362.415 0.712 10 0 FCAEMM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2 ZINC000586757184 491731717 /nfs/dbraw/zinc/73/17/17/491731717.db2.gz ORKXZXKFASYBGY-VIFPVBQESA-N -1 1 352.372 0.407 10 0 FCAEMM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2 ZINC000586757184 491731719 /nfs/dbraw/zinc/73/17/19/491731719.db2.gz ORKXZXKFASYBGY-VIFPVBQESA-N -1 1 352.372 0.407 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)nc2n1 ZINC000588006315 491737349 /nfs/dbraw/zinc/73/73/49/491737349.db2.gz CVHYSGBXKOIPNL-JTQLQIEISA-N -1 1 370.344 0.857 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCn2nnc(CO)c2C1 ZINC000581147707 491761497 /nfs/dbraw/zinc/76/14/97/491761497.db2.gz NPATVFPMJWHJAA-UHFFFAOYSA-N -1 1 353.176 0.895 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000589551150 491763431 /nfs/dbraw/zinc/76/34/31/491763431.db2.gz AMXZYILXAMDFSA-UHFFFAOYSA-N -1 1 356.809 0.292 10 0 FCAEMM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000591236828 491799993 /nfs/dbraw/zinc/79/99/93/491799993.db2.gz BWYOKLDQRNQYMP-LLVKDONJSA-N -1 1 370.427 0.677 10 0 FCAEMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)C[C@H](C)O1 ZINC000582645624 491821044 /nfs/dbraw/zinc/82/10/44/491821044.db2.gz DRUFGUDKDHAAOZ-TXEJJXNPSA-N -1 1 364.427 0.881 10 0 FCAEMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000582645624 491821045 /nfs/dbraw/zinc/82/10/45/491821045.db2.gz DRUFGUDKDHAAOZ-TXEJJXNPSA-N -1 1 364.427 0.881 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000582846399 491829269 /nfs/dbraw/zinc/82/92/69/491829269.db2.gz ZWTKIZTWSLUAGY-RRFJBIMHSA-N -1 1 369.462 0.029 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(C)c1)c1ccnn1C ZINC000592091328 491831584 /nfs/dbraw/zinc/83/15/84/491831584.db2.gz IAUZZRJCPPUMKT-AWEZNQCLSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccnn1C ZINC000592095331 491832132 /nfs/dbraw/zinc/83/21/32/491832132.db2.gz YRSORPHWMKGVJY-MEBBXXQBSA-N -1 1 365.411 0.936 10 0 FCAEMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000583476412 491845689 /nfs/dbraw/zinc/84/56/89/491845689.db2.gz VRPNWBIITHLONV-SNVBAGLBSA-N -1 1 350.400 0.029 10 0 FCAEMM Cn1ccnc1-c1cc(=NC(=O)N=c2nc3cc(Cl)ccn3[n-]2)[nH][nH]1 ZINC000583782723 491851931 /nfs/dbraw/zinc/85/19/31/491851931.db2.gz YUKOPHMVDSZUQW-UHFFFAOYSA-N -1 1 357.765 0.994 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000600497344 491864263 /nfs/dbraw/zinc/86/42/63/491864263.db2.gz CPGKDLOFDDQCMQ-UHFFFAOYSA-N -1 1 366.418 0.587 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000595031366 491879421 /nfs/dbraw/zinc/87/94/21/491879421.db2.gz NMRDGHCJOFXIBE-UHFFFAOYSA-N -1 1 364.493 0.641 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccc(F)c(C)c2)CC1=O ZINC000601394887 491912692 /nfs/dbraw/zinc/91/26/92/491912692.db2.gz YLMWRIGCLOZWEW-IUODEOHRSA-N -1 1 372.418 0.888 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)cc1C ZINC000595328504 491919858 /nfs/dbraw/zinc/91/98/58/491919858.db2.gz VHCXRBTYQOQFQD-NSHDSACASA-N -1 1 371.371 0.301 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)cc1C ZINC000595332437 491920934 /nfs/dbraw/zinc/92/09/34/491920934.db2.gz DRKQROCMSQFJFN-LBPRGKRZSA-N -1 1 360.432 0.500 10 0 FCAEMM Cn1cc(CCC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)nn1 ZINC000613554070 491985941 /nfs/dbraw/zinc/98/59/41/491985941.db2.gz CULKOMRXBWESTK-ZDUSSCGKSA-N -1 1 364.772 0.959 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000603521707 492036579 /nfs/dbraw/zinc/03/65/79/492036579.db2.gz YIVLECLFQAIWHQ-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Cc3cnnn3C)c2)n1 ZINC000597579737 492048998 /nfs/dbraw/zinc/04/89/98/492048998.db2.gz FWSHADBOSHZNGC-UHFFFAOYSA-N -1 1 369.385 0.636 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCN(C3CC3)C2=O)c1 ZINC000615054765 492070633 /nfs/dbraw/zinc/07/06/33/492070633.db2.gz TXSSYAJTVSUBGC-UHFFFAOYSA-N -1 1 368.415 0.139 10 0 FCAEMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000605381811 492093509 /nfs/dbraw/zinc/09/35/09/492093509.db2.gz YMGQTVPCKQRRNJ-JTQLQIEISA-N -1 1 361.406 0.338 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(OCC(F)F)nc2)n[n-]1 ZINC000615920129 492107534 /nfs/dbraw/zinc/10/75/34/492107534.db2.gz RDAOCVWYRUOZOV-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(OCC(F)F)nc2)n1 ZINC000615920129 492107537 /nfs/dbraw/zinc/10/75/37/492107537.db2.gz RDAOCVWYRUOZOV-UHFFFAOYSA-N -1 1 355.301 0.950 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n[n-]1 ZINC000615919370 492107673 /nfs/dbraw/zinc/10/76/73/492107673.db2.gz GQULAKQDFAMEQL-LLVKDONJSA-N -1 1 365.434 0.882 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000615919370 492107678 /nfs/dbraw/zinc/10/76/78/492107678.db2.gz GQULAKQDFAMEQL-LLVKDONJSA-N -1 1 365.434 0.882 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCn2cnc3ccccc3c2=O)n[n-]1 ZINC000615919840 492108082 /nfs/dbraw/zinc/10/80/82/492108082.db2.gz NFKWEFUCAALBLQ-UHFFFAOYSA-N -1 1 370.369 0.398 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCn2cnc3ccccc3c2=O)n1 ZINC000615919840 492108083 /nfs/dbraw/zinc/10/80/83/492108083.db2.gz NFKWEFUCAALBLQ-UHFFFAOYSA-N -1 1 370.369 0.398 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n[n-]1 ZINC000616030210 492114871 /nfs/dbraw/zinc/11/48/71/492114871.db2.gz XOWBXMRIDGPJAS-SECBINFHSA-N -1 1 363.340 0.872 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000616030210 492114873 /nfs/dbraw/zinc/11/48/73/492114873.db2.gz XOWBXMRIDGPJAS-SECBINFHSA-N -1 1 363.340 0.872 10 0 FCAEMM CC(C)(NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000616204105 492120990 /nfs/dbraw/zinc/12/09/90/492120990.db2.gz OZDWHVZWJDGYEE-UHFFFAOYSA-N -1 1 357.310 0.114 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cccc(OCC(F)(F)F)n2)n[n-]1 ZINC000606930933 492133399 /nfs/dbraw/zinc/13/33/99/492133399.db2.gz IZGISOSFBZLJFH-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(OCC(F)(F)F)n2)n1 ZINC000606930933 492133401 /nfs/dbraw/zinc/13/34/01/492133401.db2.gz IZGISOSFBZLJFH-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)c1F ZINC000599258505 492150177 /nfs/dbraw/zinc/15/01/77/492150177.db2.gz HHGMRMVHKZJWLE-UHFFFAOYSA-N -1 1 362.354 0.828 10 0 FCAEMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599314970 492159019 /nfs/dbraw/zinc/15/90/19/492159019.db2.gz CEMQVIHVUUXPTM-AWEZNQCLSA-N -1 1 367.370 0.817 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1F ZINC000599392793 492167273 /nfs/dbraw/zinc/16/72/73/492167273.db2.gz XQENAFHLLRZWAK-GHMZBOCLSA-N -1 1 365.354 0.570 10 0 FCAEMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3c(O)cccc3F)cc2[nH]c1=O ZINC000608342159 492173370 /nfs/dbraw/zinc/17/33/70/492173370.db2.gz NBKRNZUPVJSWOM-UHFFFAOYSA-N -1 1 351.315 0.862 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000599476929 492178348 /nfs/dbraw/zinc/17/83/48/492178348.db2.gz QFGQCUMRYCZKNL-UHFFFAOYSA-N -1 1 358.416 0.993 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000619986614 492285515 /nfs/dbraw/zinc/28/55/15/492285515.db2.gz XPTHYJRLEMCFDH-ZDUSSCGKSA-N -1 1 374.445 0.809 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000647501640 492298156 /nfs/dbraw/zinc/29/81/56/492298156.db2.gz OGNPRCSUCYFQLJ-UHFFFAOYSA-N -1 1 351.447 0.787 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3ccc(O)cc3C2)co1 ZINC000620344602 492304159 /nfs/dbraw/zinc/30/41/59/492304159.db2.gz RJZJZONISXPERF-UHFFFAOYSA-N -1 1 352.368 0.928 10 0 FCAEMM Cc1ccc(-n2[n-]c(C(=O)NC[C@H]3CN4CCN3CCC4)cc2=O)cc1 ZINC000647678942 492343258 /nfs/dbraw/zinc/34/32/58/492343258.db2.gz GTEJFTQYVZPVSL-INIZCTEOSA-N -1 1 355.442 0.594 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c(=O)n(C)c1=O ZINC000620943454 492346452 /nfs/dbraw/zinc/34/64/52/492346452.db2.gz SRXXVLRJCBSFBR-UHFFFAOYSA-N -1 1 374.422 0.153 10 0 FCAEMM COc1cccc([C@@H](C(=O)[O-])N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000634693287 492359558 /nfs/dbraw/zinc/35/95/58/492359558.db2.gz UVSPDGMGHILVEL-HNNXBMFYSA-N -1 1 371.459 0.635 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCO[C@H]([C@H](C)O)C3)c(=O)c2c(OC)c1 ZINC000627768024 492378620 /nfs/dbraw/zinc/37/86/20/492378620.db2.gz LCZDVRZAVQPLNI-BONVTDFDSA-N -1 1 362.382 0.767 10 0 FCAEMM CN1CCN(c2ccc(NC(=O)c3c[n-]n4c3nccc4=O)cn2)CC1 ZINC000621371384 492380315 /nfs/dbraw/zinc/38/03/15/492380315.db2.gz BWTORZZXHZRPOT-UHFFFAOYSA-N -1 1 353.386 0.422 10 0 FCAEMM CO[C@](C)(CO)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000655209381 492414249 /nfs/dbraw/zinc/41/42/49/492414249.db2.gz GZSQBCSEHLBQAG-SFHVURJKSA-N -1 1 360.414 0.999 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(NC(=O)[C@@H]4C[C@@H]4C)cc3)nc2n1 ZINC000622871768 492492189 /nfs/dbraw/zinc/49/21/89/492492189.db2.gz ICOMTZFCOHBOCQ-TVQRCGJNSA-N -1 1 366.381 0.995 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)o1 ZINC000628357998 492494194 /nfs/dbraw/zinc/49/41/94/492494194.db2.gz VQSYGXOZZAZPBA-UHFFFAOYSA-N -1 1 366.321 0.870 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2CCC(F)CC2)o1 ZINC000649149195 492505983 /nfs/dbraw/zinc/50/59/83/492505983.db2.gz KFAABTFVPUJENC-UHFFFAOYSA-N -1 1 361.395 0.301 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccnc3OCC(F)F)nc2n1 ZINC000643909069 492600463 /nfs/dbraw/zinc/60/04/63/492600463.db2.gz DHFGYQVZJQUEKC-UHFFFAOYSA-N -1 1 350.285 0.439 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)nc2n1 ZINC000643909328 492601504 /nfs/dbraw/zinc/60/15/04/492601504.db2.gz SGWONUPSMATIOQ-JTQLQIEISA-N -1 1 356.317 0.930 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCCCN3C(=O)c3ccco3)nc2n1 ZINC000643909434 492601579 /nfs/dbraw/zinc/60/15/79/492601579.db2.gz YCUVQEPPTVTHSQ-LLVKDONJSA-N -1 1 370.369 0.952 10 0 FCAEMM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000629533272 492640509 /nfs/dbraw/zinc/64/05/09/492640509.db2.gz QQGOLWUQXRGXFV-UHFFFAOYSA-N -1 1 367.349 0.631 10 0 FCAEMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ncccc1Br ZINC000656877062 492658006 /nfs/dbraw/zinc/65/80/06/492658006.db2.gz JAGYZIJUFMPBON-JTQLQIEISA-N -1 1 364.265 0.843 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F)[C@@H]1CCOC1 ZINC000656913305 492667618 /nfs/dbraw/zinc/66/76/18/492667618.db2.gz MEWIZVGTIHFMKP-LERXQTSPSA-N -1 1 365.398 0.969 10 0 FCAEMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656913856 492667788 /nfs/dbraw/zinc/66/77/88/492667788.db2.gz PEGJURDQAUOXCS-LLVKDONJSA-N -1 1 353.238 0.910 10 0 FCAEMM CCN1C[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000657022393 492697361 /nfs/dbraw/zinc/69/73/61/492697361.db2.gz GYLJRUJPXRNMHG-SECBINFHSA-N -1 1 362.249 0.991 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H]1CCOC1 ZINC000657046025 492703204 /nfs/dbraw/zinc/70/32/04/492703204.db2.gz XTAPUDXNJGIEOF-RKDXNWHRSA-N -1 1 357.354 0.769 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1F ZINC000657086023 492711792 /nfs/dbraw/zinc/71/17/92/492711792.db2.gz KESKIXHGHSYOKS-CYBMUJFWSA-N -1 1 353.799 0.925 10 0 FCAEMM COCc1n[nH]c(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000657104674 492722977 /nfs/dbraw/zinc/72/29/77/492722977.db2.gz RKKCLENAVGOPPC-UHFFFAOYSA-N -1 1 354.285 0.986 10 0 FCAEMM Cc1ccc([C@@H](CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)N(C)C)cc1 ZINC000651539738 492777009 /nfs/dbraw/zinc/77/70/09/492777009.db2.gz MLBPPROFIDBYQT-OAHLLOKOSA-N -1 1 358.446 0.947 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CCOCC1 ZINC000651636245 492797855 /nfs/dbraw/zinc/79/78/55/492797855.db2.gz AZSCIKCIWVPPNN-CQSZACIVSA-N -1 1 354.428 0.517 10 0 FCAEMM C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC[C@@H]1C(=O)[O-] ZINC000625956692 492907031 /nfs/dbraw/zinc/90/70/31/492907031.db2.gz WSDBFUHDXNISNJ-RISCZKNCSA-N -1 1 357.370 0.775 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2CCN([C@@H]3CCN(C)C3=O)CC2)sc1C ZINC000632490551 493009209 /nfs/dbraw/zinc/00/92/09/493009209.db2.gz LDKMBYDJXBRWOD-CYBMUJFWSA-N -1 1 372.516 0.733 10 0 FCAEMM COc1ccc(NC(=O)N2CN(C)C(=O)[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000646289805 493038400 /nfs/dbraw/zinc/03/84/00/493038400.db2.gz KBYFSPXVTVOBJG-SECBINFHSA-N -1 1 356.404 0.719 10 0 FCAEMM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC000659055071 493130725 /nfs/dbraw/zinc/13/07/25/493130725.db2.gz TYFOAKRKGYVYSC-UHFFFAOYSA-N -1 1 374.401 0.771 10 0 FCAEMM Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])co1 ZINC000681550509 493185537 /nfs/dbraw/zinc/18/55/37/493185537.db2.gz BICQYONDCUREFI-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000659646251 493228960 /nfs/dbraw/zinc/22/89/60/493228960.db2.gz GURSYEJAAGDADI-CQSZACIVSA-N -1 1 365.405 0.916 10 0 FCAEMM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659655733 493233863 /nfs/dbraw/zinc/23/38/63/493233863.db2.gz XQFIWOPCVIHLPX-GOEBONIOSA-N -1 1 373.453 0.994 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cccc(F)c1 ZINC000659667590 493240984 /nfs/dbraw/zinc/24/09/84/493240984.db2.gz BEHQCJRCNGUEEA-CQSZACIVSA-N -1 1 365.405 0.916 10 0 FCAEMM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000660057234 493320428 /nfs/dbraw/zinc/32/04/28/493320428.db2.gz REKQOYBWFXYYBN-UHFFFAOYSA-N -1 1 373.381 0.463 10 0 FCAEMM CS(=O)(=O)C[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)c1ccccc1 ZINC000668870028 493425419 /nfs/dbraw/zinc/42/54/19/493425419.db2.gz ACTTUBLERFPZDW-ZDUSSCGKSA-N -1 1 363.443 0.914 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)CN(CC(=O)[O-])CC(C)(C)C)C1 ZINC000662224415 493498392 /nfs/dbraw/zinc/49/83/92/493498392.db2.gz BRYCZXSLBAJVAR-OAHLLOKOSA-N -1 1 357.495 0.892 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677924838 493624923 /nfs/dbraw/zinc/62/49/23/493624923.db2.gz AZODQTLDACFLAJ-JTQLQIEISA-N -1 1 350.404 0.175 10 0 FCAEMM COC[C@@](C)(O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000452353026 536810890 /nfs/dbraw/zinc/81/08/90/536810890.db2.gz CUCQHEONURSCFO-HNNXBMFYSA-N -1 1 362.448 0.874 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccnn1C ZINC000592092551 546609020 /nfs/dbraw/zinc/60/90/20/546609020.db2.gz QICQAXPWLPCGRN-CQSZACIVSA-N -1 1 351.384 0.815 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCCC1)c1ccnn1C ZINC000594791936 546825410 /nfs/dbraw/zinc/82/54/10/546825410.db2.gz AKEZWTJMQRSEKF-UONOGXRCSA-N -1 1 359.448 0.759 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ncccc1Br ZINC000594822421 546836227 /nfs/dbraw/zinc/83/62/27/546836227.db2.gz LKWHUKNUIQWKMV-DTWKUNHWSA-N -1 1 365.205 0.453 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000553470116 547280706 /nfs/dbraw/zinc/28/07/06/547280706.db2.gz CYLMVJIEMHUEDK-NSHDSACASA-N -1 1 366.443 0.676 10 0 FCAEMM COC(=O)c1coc(C(=O)[N-]c2ncn(CC(=O)OC(C)(C)C)n2)c1 ZINC000592652536 547366230 /nfs/dbraw/zinc/36/62/30/547366230.db2.gz DMTNDNZXTFYWIR-UHFFFAOYSA-N -1 1 350.331 1.252 10 0 FCAEMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1c(C)onc1N ZINC000593651095 547380707 /nfs/dbraw/zinc/38/07/07/547380707.db2.gz YCXZNKZTHIHCKO-SNVBAGLBSA-N -1 1 361.420 0.734 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(Cl)cnc1Cl ZINC000867503703 663136653 /nfs/dbraw/zinc/13/66/53/663136653.db2.gz IPFZAGWQOXMVAC-GFCCVEGCSA-N -1 1 371.242 0.835 10 0 FCAEMM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000291911581 663522300 /nfs/dbraw/zinc/52/23/00/663522300.db2.gz SKHUWPXJEMFMDZ-KGLIPLIRSA-N -1 1 372.447 0.116 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(Br)n1C ZINC000311381385 664103648 /nfs/dbraw/zinc/10/36/48/664103648.db2.gz BIMJARDWJVULMN-ZETCQYMHSA-N -1 1 351.226 0.048 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)c(Br)n1C ZINC000311540451 664111024 /nfs/dbraw/zinc/11/10/24/664111024.db2.gz TVMKLBFQCRZTSR-VIIUKITBSA-N -1 1 372.310 0.926 10 0 FCAEMM CCc1nncn1CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866891982 664288138 /nfs/dbraw/zinc/28/81/38/664288138.db2.gz PUBWWSBKRZPGTL-UHFFFAOYSA-N -1 1 352.342 0.571 10 0 FCAEMM CC(C)COC(=O)N1CCC(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1 ZINC000726194734 664914466 /nfs/dbraw/zinc/91/44/66/664914466.db2.gz XVXGTTAASBAKKS-UHFFFAOYSA-N -1 1 373.435 0.651 10 0 FCAEMM CC(C)COC(=O)N1CCC(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1 ZINC000726194734 664914467 /nfs/dbraw/zinc/91/44/67/664914467.db2.gz XVXGTTAASBAKKS-UHFFFAOYSA-N -1 1 373.435 0.651 10 0 FCAEMM COC(=O)CC1CC(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000924941132 664940825 /nfs/dbraw/zinc/94/08/25/664940825.db2.gz TXMXTBDHGOAKCM-UHFFFAOYSA-N -1 1 351.325 0.648 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)c1C(F)(F)F ZINC000866916172 665159616 /nfs/dbraw/zinc/15/96/16/665159616.db2.gz QLGSMVYLXQJPEW-SSDOTTSWSA-N -1 1 352.338 0.481 10 0 FCAEMM CCN1CCN(C(=O)[C@@H](C)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1 ZINC000262984794 665224376 /nfs/dbraw/zinc/22/43/76/665224376.db2.gz NAXPUXBOAWOWFL-IJLUTSLNSA-N -1 1 351.369 0.734 10 0 FCAEMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000866965960 665251959 /nfs/dbraw/zinc/25/19/59/665251959.db2.gz RCCSGMKCOWQXAT-IPQOISQHSA-N -1 1 359.473 0.989 10 0 FCAEMM O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907470506 666132108 /nfs/dbraw/zinc/13/21/08/666132108.db2.gz BHTDGOZYTFFJOQ-NTSWFWBYSA-N -1 1 360.654 0.937 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2OCCN(C)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000908206116 666194811 /nfs/dbraw/zinc/19/48/11/666194811.db2.gz STMGZSVSDWDTON-XWLWVQCSSA-N -1 1 365.352 0.148 10 0 FCAEMM CO[C@@H]1CN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)[C@](C)(C(=O)[O-])C1 ZINC000908761852 666217424 /nfs/dbraw/zinc/21/74/24/666217424.db2.gz YNQJHUQSKPAPBI-ZQIUZPCESA-N -1 1 357.451 0.617 10 0 FCAEMM CO[C@@H]1CN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)[C@@](C)(C(=O)[O-])C1 ZINC000908761849 666217587 /nfs/dbraw/zinc/21/75/87/666217587.db2.gz YNQJHUQSKPAPBI-GRDNDAEWSA-N -1 1 357.451 0.617 10 0 FCAEMM COCC[N@@H+](C)CCNC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000908919935 666221217 /nfs/dbraw/zinc/22/12/17/666221217.db2.gz FRGJGNDTGKJPLZ-OAHLLOKOSA-N -1 1 351.403 0.795 10 0 FCAEMM CN1CCN(c2cccc(C(=O)NCc3nc(C(=O)[O-])cs3)n2)CC1 ZINC000909260591 666229450 /nfs/dbraw/zinc/22/94/50/666229450.db2.gz XRELHSCPVDBIFC-UHFFFAOYSA-N -1 1 361.427 0.918 10 0 FCAEMM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cnc(I)c(O)c1 ZINC000910606463 666253338 /nfs/dbraw/zinc/25/33/38/666253338.db2.gz GROWTEBEEFRCDI-IYSWYEEDSA-N -1 1 362.123 0.842 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CCCN2CCSC[C@H]12 ZINC000921322613 666433025 /nfs/dbraw/zinc/43/30/25/666433025.db2.gz VQWXSJSQIOVMEQ-NWDGAFQWSA-N -1 1 353.535 0.662 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000921379415 666442419 /nfs/dbraw/zinc/44/24/19/666442419.db2.gz ZGKPVHKAJUNTPX-QMMMGPOBSA-N -1 1 355.869 0.955 10 0 FCAEMM CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000921432584 666450662 /nfs/dbraw/zinc/45/06/62/666450662.db2.gz WFAHTEFHCPCLMT-SNVBAGLBSA-N -1 1 370.397 0.828 10 0 FCAEMM C[C@@H]1CCN(C(=O)CC2(O)CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912731853 666470944 /nfs/dbraw/zinc/47/09/44/666470944.db2.gz HJVUTWAWUPOFOH-MNOVXSKESA-N -1 1 352.353 0.834 10 0 FCAEMM CO[C@]1(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCSC1 ZINC000925382252 666632573 /nfs/dbraw/zinc/63/25/73/666632573.db2.gz KRKBPZZEOCMLJH-LBPRGKRZSA-N -1 1 355.382 0.828 10 0 FCAEMM O=C(NC12CCN(CC1)C2)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000913627150 666637735 /nfs/dbraw/zinc/63/77/35/666637735.db2.gz WOZBIDDVWZNGIX-UHFFFAOYSA-N -1 1 365.455 0.755 10 0 FCAEMM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3COC[C@H]3O)C2=O)cc1 ZINC000914195460 666724169 /nfs/dbraw/zinc/72/41/69/666724169.db2.gz OZDIRVRMTMQGBD-RRFJBIMHSA-N -1 1 354.428 0.170 10 0 FCAEMM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ccsc1Br ZINC000914372205 666747514 /nfs/dbraw/zinc/74/75/14/666747514.db2.gz CUUWBXCQPNSPIG-SSDOTTSWSA-N -1 1 357.251 0.037 10 0 FCAEMM COC[C@H](O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915331640 666843563 /nfs/dbraw/zinc/84/35/63/666843563.db2.gz VJQOKCVSRJISFM-SSDOTTSWSA-N -1 1 372.212 0.882 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)c(C(F)(F)F)n1 ZINC000917062794 667050752 /nfs/dbraw/zinc/05/07/52/667050752.db2.gz ZGWWCVJXRRTHQZ-JTQLQIEISA-N -1 1 367.397 0.107 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCCC1(OC)OC)[C@H]1CCOC1 ZINC000918062084 667098506 /nfs/dbraw/zinc/09/85/06/667098506.db2.gz ZHRUFKPEGVUPNK-BFHYXJOUSA-N -1 1 351.465 0.889 10 0 FCAEMM Cn1ncnc1CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000919528450 667183305 /nfs/dbraw/zinc/18/33/05/667183305.db2.gz JNOVHRMYXGAKBQ-UHFFFAOYSA-N -1 1 360.237 0.884 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)[C@H]1CN(C)CCN1C ZINC000919975162 667211254 /nfs/dbraw/zinc/21/12/54/667211254.db2.gz SXTNEOCBTPIBSQ-QLMNROTDSA-N -1 1 354.542 0.351 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)[C@@H]1CN(C)CCN1C ZINC000919982660 667214323 /nfs/dbraw/zinc/21/43/23/667214323.db2.gz VMDRFGBIIPFBSR-VXOUBLIBSA-N -1 1 374.532 0.612 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCC2(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000920908528 667259574 /nfs/dbraw/zinc/25/95/74/667259574.db2.gz SVSJQBDPHBCDDX-UHFFFAOYSA-N -1 1 363.439 0.484 10 0 FCAEMM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC000921968903 667556497 /nfs/dbraw/zinc/55/64/97/667556497.db2.gz QLWXWLIPHCHUJB-NRFANRHFSA-N -1 1 357.404 0.622 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3nnn(C)c3C2)c(C(F)(F)F)n1 ZINC000922042654 667573461 /nfs/dbraw/zinc/57/34/61/667573461.db2.gz WAMMBCKNQGEPPP-SSDOTTSWSA-N -1 1 364.353 0.403 10 0 FCAEMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000758506861 667768763 /nfs/dbraw/zinc/76/87/63/667768763.db2.gz ZALLCVJDAYBTAY-HNNXBMFYSA-N -1 1 355.412 0.826 10 0 FCAEMM CN(C)C(=O)CCN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000760443469 667849983 /nfs/dbraw/zinc/84/99/83/667849983.db2.gz ANGQPAIRGLERMX-UHFFFAOYSA-N -1 1 366.384 0.066 10 0 FCAEMM CC(=O)Nc1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)ccc1C ZINC000737545118 667875898 /nfs/dbraw/zinc/87/58/98/667875898.db2.gz HYMAVUPVQUVLQZ-UHFFFAOYSA-N -1 1 369.443 0.734 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737793717 667887581 /nfs/dbraw/zinc/88/75/81/667887581.db2.gz ZJVLWJIOUMWYGH-CYBMUJFWSA-N -1 1 364.475 0.997 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)co1 ZINC000763657675 667960031 /nfs/dbraw/zinc/96/00/31/667960031.db2.gz UZSRXNCWKNPFNK-UHFFFAOYSA-N -1 1 352.434 0.083 10 0 FCAEMM CCOC(=O)[C@@H]1CN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CCO1 ZINC000741247649 668015208 /nfs/dbraw/zinc/01/52/08/668015208.db2.gz KNLAAQLFZQJZNC-AWEZNQCLSA-N -1 1 350.371 0.216 10 0 FCAEMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCS(C)(=O)=O)n2)C1 ZINC000742032558 668025103 /nfs/dbraw/zinc/02/51/03/668025103.db2.gz YDVUBIVVTPIKLE-NSHDSACASA-N -1 1 350.466 0.316 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793139352 668913020 /nfs/dbraw/zinc/91/30/20/668913020.db2.gz FCVZGNDKBABTHH-ZDUSSCGKSA-N -1 1 366.399 0.336 10 0 FCAEMM COc1cc(C)c([S@@](C)=O)cc1OC(=O)CCn1cc[n-]c(=O)c1=O ZINC000819682346 669022756 /nfs/dbraw/zinc/02/27/56/669022756.db2.gz RBWQGMMLLQZFJA-RUZDIDTESA-N -1 1 366.395 0.587 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC(N)=O)c(F)cc1Cl ZINC000795856691 669065482 /nfs/dbraw/zinc/06/54/82/669065482.db2.gz OUTIDAWJQJBXOD-ZCFIWIBFSA-N -1 1 352.771 0.808 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(N)=O ZINC000795896038 669069908 /nfs/dbraw/zinc/06/99/08/669069908.db2.gz KPWVMPGAAUJKQP-VIFPVBQESA-N -1 1 368.770 0.044 10 0 FCAEMM COC[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795979555 669074626 /nfs/dbraw/zinc/07/46/26/669074626.db2.gz UXAYUSPPIKAARN-SSDOTTSWSA-N -1 1 355.771 0.551 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000867022176 669208703 /nfs/dbraw/zinc/20/87/03/669208703.db2.gz PESUHKWGLVZZIY-PSLXWICFSA-N -1 1 373.500 0.987 10 0 FCAEMM Cn1c(=O)[nH]cc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1=O ZINC000799022333 669275922 /nfs/dbraw/zinc/27/59/22/669275922.db2.gz DZSABUUSXJNMJM-UHFFFAOYSA-N -1 1 362.308 0.017 10 0 FCAEMM C[C@H]1CCN(C(=S)NCC(=O)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806593984 669421824 /nfs/dbraw/zinc/42/18/24/669421824.db2.gz JPKKRDHEUBQTKN-QXEWZRGKSA-N -1 1 368.425 0.727 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)n[n-]1 ZINC000806694975 669432599 /nfs/dbraw/zinc/43/25/99/669432599.db2.gz JIRRPMBYIFZYNB-UHFFFAOYSA-N -1 1 352.303 0.706 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(=O)c3ccc(F)cc3o2)n1 ZINC000806694975 669432604 /nfs/dbraw/zinc/43/26/04/669432604.db2.gz JIRRPMBYIFZYNB-UHFFFAOYSA-N -1 1 352.303 0.706 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000827583673 669580709 /nfs/dbraw/zinc/58/07/09/669580709.db2.gz HAZMKBVXUVPPJC-JTQLQIEISA-N -1 1 368.356 0.496 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000828170423 669622213 /nfs/dbraw/zinc/62/22/13/669622213.db2.gz PSIQEXGGPWKCNZ-UHFFFAOYSA-N -1 1 369.241 0.179 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(N)=O ZINC000812520830 669808293 /nfs/dbraw/zinc/80/82/93/669808293.db2.gz XTOQYWBTEVVERZ-SECBINFHSA-N -1 1 352.771 0.808 10 0 FCAEMM CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830829365 669808678 /nfs/dbraw/zinc/80/86/78/669808678.db2.gz XPKOQCKMWWRDQK-JOYOIKCWSA-N -1 1 353.366 0.577 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000831332979 669842141 /nfs/dbraw/zinc/84/21/41/669842141.db2.gz NTPHQQSCCWGWJS-GXSJLCMTSA-N -1 1 369.472 0.466 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@@]4(CCSC4)C3)ccnc1-2 ZINC000832612520 669913520 /nfs/dbraw/zinc/91/35/20/669913520.db2.gz JTTVVTOYEKCQKH-INIZCTEOSA-N -1 1 361.427 0.015 10 0 FCAEMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867119160 669991736 /nfs/dbraw/zinc/99/17/36/669991736.db2.gz APLOHTRIWDKKGV-QMMMGPOBSA-N -1 1 370.353 0.948 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867449693 670018107 /nfs/dbraw/zinc/01/81/07/670018107.db2.gz CLOUZRLSYDBOGN-UHFFFAOYSA-N -1 1 372.266 0.735 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CCCO1 ZINC000867207816 670074758 /nfs/dbraw/zinc/07/47/58/670074758.db2.gz VYYVVWBHHLBCJM-IUCAKERBSA-N -1 1 357.354 0.911 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c(=O)[nH]c1=O ZINC000841572472 670598534 /nfs/dbraw/zinc/59/85/34/670598534.db2.gz FIGCBWWFYSGJPD-WGRBQBNCSA-N -1 1 359.448 0.721 10 0 FCAEMM COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1 ZINC000843015244 670766478 /nfs/dbraw/zinc/76/64/78/670766478.db2.gz SWJNNWNCPDXDBD-UHFFFAOYSA-N -1 1 368.455 0.946 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCc2ccc(C(N)=O)cc2)CCC1 ZINC000843014572 670766810 /nfs/dbraw/zinc/76/68/10/670766810.db2.gz OHRABAJRDRSHBP-UHFFFAOYSA-N -1 1 367.471 0.648 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CNC(=O)c2ccccc2)CCC1 ZINC000843016279 670767291 /nfs/dbraw/zinc/76/72/91/670767291.db2.gz NZEXXDSXCKBWQH-UHFFFAOYSA-N -1 1 353.444 0.347 10 0 FCAEMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867344595 670891630 /nfs/dbraw/zinc/89/16/30/670891630.db2.gz GQQWFNHKQDAEJL-RKDXNWHRSA-N -1 1 357.354 0.769 10 0 FCAEMM COC/C(C)=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000845887553 671047347 /nfs/dbraw/zinc/04/73/47/671047347.db2.gz VKICDZNAUJFHAO-FMIVXFBMSA-N -1 1 370.427 0.944 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)CCOCC1 ZINC000845939510 671054259 /nfs/dbraw/zinc/05/42/59/671054259.db2.gz JMHPTNGAAMDCGC-ZFWWWQNUSA-N -1 1 357.428 0.596 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c(F)cc1Cl ZINC000845986167 671061600 /nfs/dbraw/zinc/06/16/00/671061600.db2.gz QTHDAJHIRADCKN-KNVOCYPGSA-N -1 1 364.782 0.808 10 0 FCAEMM CCn1nc(C)c(C[N-]S(=O)(=O)c2cn(C)nc2Br)n1 ZINC000867427915 671121824 /nfs/dbraw/zinc/12/18/24/671121824.db2.gz CHALAZKXDYPMPS-UHFFFAOYSA-N -1 1 363.241 0.581 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000848456905 671277311 /nfs/dbraw/zinc/27/73/11/671277311.db2.gz PJRAETXLWSCQAI-QWRGUYRKSA-N -1 1 361.320 0.897 10 0 FCAEMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000849373103 671330561 /nfs/dbraw/zinc/33/05/61/671330561.db2.gz ZVSIGPXIWMNSOL-UHFFFAOYSA-N -1 1 350.238 0.991 10 0 FCAEMM O=S(=O)(CC[N-]S(=O)(=O)c1ncccc1Br)C1CC1 ZINC000849399406 671337288 /nfs/dbraw/zinc/33/72/88/671337288.db2.gz LVCSSVLZERXCFF-UHFFFAOYSA-N -1 1 369.262 0.700 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000849400465 671337673 /nfs/dbraw/zinc/33/76/73/671337673.db2.gz ILLACAKYTCCRIL-UHFFFAOYSA-N -1 1 352.210 0.532 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)c1Cl ZINC000849424325 671341446 /nfs/dbraw/zinc/34/14/46/671341446.db2.gz XVMTWGADERWEAD-JTQLQIEISA-N -1 1 354.819 0.940 10 0 FCAEMM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000849424461 671341748 /nfs/dbraw/zinc/34/17/48/671341748.db2.gz ZQQMACZOHQRHEK-HBNTYKKESA-N -1 1 351.856 0.918 10 0 FCAEMM COC(=O)CCN1CCC[C@H](OC(=O)c2ccc(C(=O)OC)[n-]2)C1=O ZINC000849782418 671363300 /nfs/dbraw/zinc/36/33/00/671363300.db2.gz YNMFUCRDAHZNAX-LBPRGKRZSA-N -1 1 352.343 0.512 10 0 FCAEMM CC(=O)N[C@@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000851105979 671428510 /nfs/dbraw/zinc/42/85/10/671428510.db2.gz VAKDOUYXSDGBOA-AWEZNQCLSA-N -1 1 361.508 0.858 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000851700988 671460512 /nfs/dbraw/zinc/46/05/12/671460512.db2.gz QMIGQPYXPBYHSL-VHSXEESVSA-N -1 1 361.276 0.056 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1C ZINC000851701758 671460968 /nfs/dbraw/zinc/46/09/68/671460968.db2.gz HYEPSNSXPLYDQY-WPRPVWTQSA-N -1 1 362.308 0.465 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1C ZINC000851701756 671461045 /nfs/dbraw/zinc/46/10/45/671461045.db2.gz HYEPSNSXPLYDQY-SCZZXKLOSA-N -1 1 362.308 0.465 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851882851 671476277 /nfs/dbraw/zinc/47/62/77/671476277.db2.gz IRDCTYIZCFAMEU-VPOLOUISSA-N -1 1 358.382 0.883 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852395562 671505131 /nfs/dbraw/zinc/50/51/31/671505131.db2.gz BPXBRXAJYPPROI-ZJUUUORDSA-N -1 1 368.356 0.495 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(N)=O ZINC000852520282 671511526 /nfs/dbraw/zinc/51/15/26/671511526.db2.gz FTQWTGWUAQZOPZ-SCZZXKLOSA-N -1 1 353.341 0.325 10 0 FCAEMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCN1CCCC1=O ZINC000852735408 671521480 /nfs/dbraw/zinc/52/14/80/671521480.db2.gz HQTCUQYFBWUXCO-MWLCHTKSSA-N -1 1 351.325 0.205 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CCN1CCCC1=O ZINC000852735408 671521482 /nfs/dbraw/zinc/52/14/82/671521482.db2.gz HQTCUQYFBWUXCO-MWLCHTKSSA-N -1 1 351.325 0.205 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)co1 ZINC000855785284 671663660 /nfs/dbraw/zinc/66/36/60/671663660.db2.gz ZVUUFONTMUORSE-SKDRFNHKSA-N -1 1 350.343 0.732 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000855822468 671664571 /nfs/dbraw/zinc/66/45/71/671664571.db2.gz BNYQKKLUCXKBNH-SNVBAGLBSA-N -1 1 356.448 0.720 10 0 FCAEMM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858947027 671784678 /nfs/dbraw/zinc/78/46/78/671784678.db2.gz IPWNVUMPGZNHNY-ZETCQYMHSA-N -1 1 364.200 0.942 10 0 FCAEMM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859051658 671790973 /nfs/dbraw/zinc/79/09/73/671790973.db2.gz JBMNRISAEZYNDI-ZETCQYMHSA-N -1 1 366.212 0.882 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(=O)N(C)C ZINC000859130022 671795435 /nfs/dbraw/zinc/79/54/35/671795435.db2.gz LPCBXNDEEPIJCB-LURJTMIESA-N -1 1 354.201 0.738 10 0 FCAEMM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859190033 671799183 /nfs/dbraw/zinc/79/91/83/671799183.db2.gz DRZVJFNQKJATGK-UHFFFAOYSA-N -1 1 366.212 0.882 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000859341071 671817540 /nfs/dbraw/zinc/81/75/40/671817540.db2.gz AYVNMMRCVQZVOG-DTWKUNHWSA-N -1 1 351.812 0.700 10 0 FCAEMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000859920852 671854722 /nfs/dbraw/zinc/85/47/22/671854722.db2.gz TYMBYQBCTJUESZ-RVBSWOSCSA-N -1 1 351.277 0.319 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)NC1CCC=CCC1)[N-]CC(F)F ZINC000903647620 675957506 /nfs/dbraw/zinc/95/75/06/675957506.db2.gz RLOICKKYQNUCGQ-UHFFFAOYSA-N -1 1 360.448 0.979 10 0 FCAEMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866500676 672278569 /nfs/dbraw/zinc/27/85/69/672278569.db2.gz YCEUXWOXFPRINS-MCMMXHMISA-N -1 1 361.489 0.698 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H](C)N1CCOCC1 ZINC000866741353 672295608 /nfs/dbraw/zinc/29/56/08/672295608.db2.gz DWIWWDXVAFDFMU-ZJUUUORDSA-N -1 1 370.397 0.826 10 0 FCAEMM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(I)cc1[O-] ZINC000866820243 672312794 /nfs/dbraw/zinc/31/27/94/672312794.db2.gz PDTPUYLWEKLNMS-MRVPVSSYSA-N -1 1 374.134 0.532 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)CN1CCOCC1 ZINC000866823203 672313190 /nfs/dbraw/zinc/31/31/90/672313190.db2.gz KSKUJWNSYAKHHJ-JTQLQIEISA-N -1 1 370.397 0.686 10 0 FCAEMM CCN1C[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000867460688 672319738 /nfs/dbraw/zinc/31/97/38/672319738.db2.gz FLHHBEBYRKFHAE-IPQOISQHSA-N -1 1 359.473 0.846 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c1C(F)(F)F ZINC000867488213 672324493 /nfs/dbraw/zinc/32/44/93/672324493.db2.gz DVSGFYIPEBELKU-MRVPVSSYSA-N -1 1 368.337 0.700 10 0 FCAEMM Cn1nncc1S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000867704589 672356977 /nfs/dbraw/zinc/35/69/77/672356977.db2.gz PQGHSARSSRQPHZ-UHFFFAOYSA-N -1 1 371.850 0.681 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000867763452 672364868 /nfs/dbraw/zinc/36/48/68/672364868.db2.gz YXMMZQBTTLWSIC-NSHDSACASA-N -1 1 365.354 0.938 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000867763098 672364886 /nfs/dbraw/zinc/36/48/86/672364886.db2.gz QDFBSHCURAZYKP-SNVBAGLBSA-N -1 1 365.354 0.938 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000867774852 672366349 /nfs/dbraw/zinc/36/63/49/672366349.db2.gz MTRQBXNDFOPEKD-GMSGAONNSA-N -1 1 368.205 0.899 10 0 FCAEMM O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000868064354 672384638 /nfs/dbraw/zinc/38/46/38/672384638.db2.gz WAGLYGNZSMPHGC-DTWKUNHWSA-N -1 1 351.281 0.828 10 0 FCAEMM COCCn1ncc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1C ZINC000870446044 672492698 /nfs/dbraw/zinc/49/26/98/672492698.db2.gz BGCAQHYQRJGCFW-UHFFFAOYSA-N -1 1 358.464 0.382 10 0 FCAEMM CC(C)C[C@]1(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CCNC1=O ZINC000870446795 672493098 /nfs/dbraw/zinc/49/30/98/672493098.db2.gz KYAWXKYQPXWKEP-MRXNPFEDSA-N -1 1 359.492 0.469 10 0 FCAEMM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)C2)C1 ZINC000871385322 672543637 /nfs/dbraw/zinc/54/36/37/672543637.db2.gz ZPYBGYFXQUPTAC-HNNXBMFYSA-N -1 1 361.383 0.552 10 0 FCAEMM CS(=O)(=O)CC1(NC(=O)c2cc(Br)ccc2[O-])COC1 ZINC000875815302 672917346 /nfs/dbraw/zinc/91/73/46/672917346.db2.gz BAIASOCFLVXMKT-UHFFFAOYSA-N -1 1 364.217 0.698 10 0 FCAEMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)C2 ZINC000876127335 672936848 /nfs/dbraw/zinc/93/68/48/672936848.db2.gz NCBFBVZHNUSOJX-BFVZDQMLSA-N -1 1 363.336 0.648 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccc([O-])c(Cl)c3)C[C@H]21 ZINC000876399504 672953796 /nfs/dbraw/zinc/95/37/96/672953796.db2.gz PNUSBKWLJVKDRJ-GDLCADMTSA-N -1 1 374.846 0.999 10 0 FCAEMM Cn1ncc(Br)c1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000879264100 673108598 /nfs/dbraw/zinc/10/85/98/673108598.db2.gz WUDYBICGCJOPFV-MRVPVSSYSA-N -1 1 354.212 0.644 10 0 FCAEMM O=C([N-]CC1CN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C1)C(F)(F)F ZINC000926675166 673839516 /nfs/dbraw/zinc/83/95/16/673839516.db2.gz IMPKLNJPXHVJRP-VWYCJHECSA-N -1 1 351.325 0.110 10 0 FCAEMM COCCN1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC000927786203 673881575 /nfs/dbraw/zinc/88/15/75/673881575.db2.gz SCRFVHOUHDQSOZ-UHFFFAOYSA-N -1 1 357.357 0.713 10 0 FCAEMM CO[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)[C@](C)(C(=O)[O-])C1 ZINC000929063269 673937564 /nfs/dbraw/zinc/93/75/64/673937564.db2.gz JJQXULRYCYHLNB-ZWUHOBOKSA-N -1 1 357.476 0.840 10 0 FCAEMM C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001719751071 1179878774 /nfs/dbraw/zinc/87/87/74/1179878774.db2.gz HCGSJFHGWCLPDF-YNEHKIRRSA-N -1 1 362.430 0.513 10 0 FCAEMM CCCN(C(=O)[C@H]1OCC[C@H]1CC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001267541812 1181725445 /nfs/dbraw/zinc/72/54/45/1181725445.db2.gz IXNFOOKKIJYYSD-FMKPAKJESA-N -1 1 365.478 0.736 10 0 FCAEMM CC(C)(CO)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccnc1 ZINC001143480215 1182082796 /nfs/dbraw/zinc/08/27/96/1182082796.db2.gz SIIVAARRNZXUCT-MRXNPFEDSA-N -1 1 358.398 0.788 10 0 FCAEMM CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C(=O)C1CC1 ZINC001719833201 1186163844 /nfs/dbraw/zinc/16/38/44/1186163844.db2.gz CKXKHEFFNYRJTE-RDBSUJKOSA-N -1 1 372.425 0.517 10 0 FCAEMM NC(=O)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719865408 1188364330 /nfs/dbraw/zinc/36/43/30/1188364330.db2.gz AUILGPOQNQKOGI-AGIUHOORSA-N -1 1 360.414 0.695 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@@](C)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O ZINC001270991566 1189470027 /nfs/dbraw/zinc/47/00/27/1189470027.db2.gz PHXKPTGPNQACIC-ZXTQRBJTSA-N -1 1 363.462 0.394 10 0 FCAEMM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)n1 ZINC000899494522 1194161996 /nfs/dbraw/zinc/16/19/96/1194161996.db2.gz FICOXMSROIJVEK-UHFFFAOYSA-N -1 1 371.426 0.784 10 0 FCAEMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cn(-c2ccccc2)nn1 ZINC000761461505 1197070298 /nfs/dbraw/zinc/07/02/98/1197070298.db2.gz OTPPXGIOUWEMND-LBPRGKRZSA-N -1 1 354.370 0.385 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000737268523 1197967074 /nfs/dbraw/zinc/96/70/74/1197967074.db2.gz LCEATZHCAXIWOI-UHFFFAOYSA-N -1 1 353.342 0.429 10 0 FCAEMM CN(C)c1nc(C(=O)OCc2nnnn2Cc2ccccc2)cc(=O)[n-]1 ZINC000786493822 1200840626 /nfs/dbraw/zinc/84/06/26/1200840626.db2.gz NPVWLDDYHQLXHR-UHFFFAOYSA-N -1 1 355.358 0.640 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000791487668 1201146020 /nfs/dbraw/zinc/14/60/20/1201146020.db2.gz AXYWQBLWVFGOAK-GFCCVEGCSA-N -1 1 367.352 0.172 10 0 FCAEMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807318800 1202820589 /nfs/dbraw/zinc/82/05/89/1202820589.db2.gz JXYHXQAEHWJCJG-LDYMZIIASA-N -1 1 371.319 0.459 10 0 FCAEMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CCNC1=O)C(F)(F)F ZINC000824300158 1203290789 /nfs/dbraw/zinc/29/07/89/1203290789.db2.gz VOMGPIOENNCYHI-MNOVXSKESA-N -1 1 370.331 0.694 10 0 FCAEMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@](C)(O)c1ccccc1 ZINC000846084381 1204582940 /nfs/dbraw/zinc/58/29/40/1204582940.db2.gz CRRAJBMHLGCOCC-BUXKBTBVSA-N -1 1 367.409 0.693 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)CCCc1nn[n-]n1)CO2 ZINC001146988089 1204751418 /nfs/dbraw/zinc/75/14/18/1204751418.db2.gz FRAPRIZSNIQFNA-LLVKDONJSA-N -1 1 366.422 0.417 10 0 FCAEMM C[C@@H]1CCN(C(=O)CCOCC(F)F)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001489035239 1208614820 /nfs/dbraw/zinc/61/48/20/1208614820.db2.gz JYMONLRNBUKBTA-MNOVXSKESA-N -1 1 361.393 0.899 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCCCO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489294936 1208725182 /nfs/dbraw/zinc/72/51/82/1208725182.db2.gz XVQAFIJMNXSRCR-MCIONIFRSA-N -1 1 351.451 0.537 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001489576730 1208956012 /nfs/dbraw/zinc/95/60/12/1208956012.db2.gz DHFGGOPVQBESGI-BBVLPBNKSA-N -1 1 360.414 0.717 10 0 FCAEMM O=C(CCCn1cccc1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489587248 1209005991 /nfs/dbraw/zinc/00/59/91/1209005991.db2.gz KEAUGFGWJYIVFL-HIFRSBDPSA-N -1 1 358.398 0.371 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](c1ccncc1)C1(CO)CCC1 ZINC000856456594 1209712158 /nfs/dbraw/zinc/71/21/58/1209712158.db2.gz PXSPGYIDGBPWMQ-OAHLLOKOSA-N -1 1 358.398 0.342 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)nc2n1 ZINC000857622169 1209756299 /nfs/dbraw/zinc/75/62/99/1209756299.db2.gz QIKNLONFHFSNNC-UHFFFAOYSA-N -1 1 362.390 0.922 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2nnn[n-]2)C1 ZINC000859447681 1209822221 /nfs/dbraw/zinc/82/22/21/1209822221.db2.gz WUVZAEARVSLXPO-MLGOLLRUSA-N -1 1 360.374 0.954 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2nn[n-]n2)C1 ZINC000859447681 1209822222 /nfs/dbraw/zinc/82/22/22/1209822222.db2.gz WUVZAEARVSLXPO-MLGOLLRUSA-N -1 1 360.374 0.954 10 0 FCAEMM COc1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1OC(F)F ZINC000116762045 1209822984 /nfs/dbraw/zinc/82/29/84/1209822984.db2.gz PNKBCWRFRQSXMQ-UHFFFAOYSA-N -1 1 369.324 0.853 10 0 FCAEMM CN1CC(=O)Nc2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)cnc21 ZINC000861509562 1209868969 /nfs/dbraw/zinc/86/89/69/1209868969.db2.gz NPQMKEBNTDWAAG-VIFPVBQESA-N -1 1 358.358 0.578 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@@H]1CCCN1c1nccs1 ZINC000126696427 1210449185 /nfs/dbraw/zinc/44/91/85/1210449185.db2.gz NZANIIPVZHZEFT-LBPRGKRZSA-N -1 1 374.426 0.937 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@H]1CCCN1c1nccs1 ZINC000126696663 1210449622 /nfs/dbraw/zinc/44/96/22/1210449622.db2.gz NZANIIPVZHZEFT-GFCCVEGCSA-N -1 1 374.426 0.937 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000927942514 1211594017 /nfs/dbraw/zinc/59/40/17/1211594017.db2.gz JVGWOPIXADXFQQ-NUEKZKHPSA-N -1 1 361.442 0.993 10 0 FCAEMM C[C@@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000929278047 1211626863 /nfs/dbraw/zinc/62/68/63/1211626863.db2.gz ISSKZXKIGIJMJG-ZDUSSCGKSA-N -1 1 359.426 0.634 10 0 FCAEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000900055221 1217957595 /nfs/dbraw/zinc/95/75/95/1217957595.db2.gz LMFWWBLENGOCCI-CYBMUJFWSA-N -1 1 360.414 0.771 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1ccncc1[O-] ZINC000755639192 1220144415 /nfs/dbraw/zinc/14/44/15/1220144415.db2.gz PXJPAXDHPKAUKU-GFCCVEGCSA-N -1 1 364.402 0.663 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)c3nnc4ccccc4c3O)CC2)CCOC1 ZINC001118972982 1221852174 /nfs/dbraw/zinc/85/21/74/1221852174.db2.gz OGSRZVVYCTXUHU-GOSISDBHSA-N -1 1 372.381 0.337 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CCC3(CCC3)O2)CC1 ZINC001119576958 1221935464 /nfs/dbraw/zinc/93/54/64/1221935464.db2.gz IXYQVVFTXCEHJY-OAHLLOKOSA-N -1 1 368.478 0.432 10 0 FCAEMM CCON1CCC(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001119581240 1221936101 /nfs/dbraw/zinc/93/61/01/1221936101.db2.gz AGLZGXFKMIJMOE-GOSISDBHSA-N -1 1 369.462 0.428 10 0 FCAEMM C[C@]1(C(=O)[O-])CN(C(=O)CCN2CCN(c3ccccn3)CC2)CCO1 ZINC001119584205 1221936334 /nfs/dbraw/zinc/93/63/34/1221936334.db2.gz XLIWNKSYLBFNLS-GOSISDBHSA-N -1 1 362.430 0.296 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC[C@]23CCCO3)CC1 ZINC001119644217 1221944471 /nfs/dbraw/zinc/94/44/71/1221944471.db2.gz WCZFKWJVSSPJBR-QAPCUYQASA-N -1 1 368.478 0.432 10 0 FCAEMM FCC[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2C[C@H]2CCOC2)C1 ZINC001123097620 1222317687 /nfs/dbraw/zinc/31/76/87/1222317687.db2.gz LLTOAIQLGBTBGT-QWHCGFSZSA-N -1 1 364.429 0.995 10 0 FCAEMM FCC[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2C[C@H]2CCOC2)C1 ZINC001123097620 1222317691 /nfs/dbraw/zinc/31/76/91/1222317691.db2.gz LLTOAIQLGBTBGT-QWHCGFSZSA-N -1 1 364.429 0.995 10 0 FCAEMM O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001138436790 1222507326 /nfs/dbraw/zinc/50/73/26/1222507326.db2.gz BPJQFMDESPQQMF-GFCCVEGCSA-N -1 1 372.410 0.783 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)COC1 ZINC001138658845 1222520951 /nfs/dbraw/zinc/52/09/51/1222520951.db2.gz GOBHIHGHKVHFAY-LLVKDONJSA-N -1 1 366.422 0.590 10 0 FCAEMM CCC(CC)(NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)c1nn[n-]n1 ZINC001140064695 1222566248 /nfs/dbraw/zinc/56/62/48/1222566248.db2.gz URJVEAFKMIOPEV-JTQLQIEISA-N -1 1 363.422 0.584 10 0 FCAEMM CCC(CC)(NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)c1nn[n-]n1 ZINC001140064697 1222566296 /nfs/dbraw/zinc/56/62/96/1222566296.db2.gz URJVEAFKMIOPEV-SNVBAGLBSA-N -1 1 363.422 0.584 10 0 FCAEMM CC(C)(C)OC(=O)c1cncc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000848272924 1245364083 /nfs/dbraw/zinc/36/40/83/1245364083.db2.gz MUOSWPWQUBDHFQ-UHFFFAOYSA-N -1 1 360.370 0.916 10 0 FCAEMM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000921839092 1245653662 /nfs/dbraw/zinc/65/36/62/1245653662.db2.gz LKVKRWOIWVRHJW-RDJZCZTQSA-N -1 1 362.430 0.950 10 0 FCAEMM CC(C)CO[N-]C(=O)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC001328308855 1265529443 /nfs/dbraw/zinc/52/94/43/1265529443.db2.gz NVUHVSBZNLBIPV-KRWDZBQOSA-N -1 1 362.474 0.623 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)CN1CCC(CO)CC1)Cc1cccc(F)c1 ZINC001517348511 1265594011 /nfs/dbraw/zinc/59/40/11/1265594011.db2.gz AKAKTCJOQALINT-HNNXBMFYSA-N -1 1 352.406 0.890 10 0 FCAEMM CCOc1cccc(N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)n1 ZINC001519531243 1265727930 /nfs/dbraw/zinc/72/79/30/1265727930.db2.gz OFQRNARFPJYUDS-UHFFFAOYSA-N -1 1 356.394 0.116 10 0 FCAEMM CCOc1cccc(N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)n1 ZINC001519531243 1265727937 /nfs/dbraw/zinc/72/79/37/1265727937.db2.gz OFQRNARFPJYUDS-UHFFFAOYSA-N -1 1 356.394 0.116 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1c2ccccc2C[C@@H]1O ZINC001235546452 1259575319 /nfs/dbraw/zinc/57/53/19/1259575319.db2.gz SBOROTWUYODRRB-HOCLYGCPSA-N -1 1 356.382 0.712 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)NCCc2c(F)cc([O-])cc2F)CCO1 ZINC001255798568 1259925229 /nfs/dbraw/zinc/92/52/29/1259925229.db2.gz PUXOBXBFBSZMEC-NSHDSACASA-N -1 1 372.372 0.552 10 0 FCAEMM CS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)c3ncn[n-]3)co2)cc1 ZINC001336066486 1259961782 /nfs/dbraw/zinc/96/17/82/1259961782.db2.gz ICCUMKZHXQZZKX-UHFFFAOYSA-N -1 1 368.396 0.837 10 0 FCAEMM CS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)c3nc[n-]n3)co2)cc1 ZINC001336066486 1259961786 /nfs/dbraw/zinc/96/17/86/1259961786.db2.gz ICCUMKZHXQZZKX-UHFFFAOYSA-N -1 1 368.396 0.837 10 0 FCAEMM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC001331845589 1266294557 /nfs/dbraw/zinc/29/45/57/1266294557.db2.gz MLQVVUYVTFLPTD-HNNXBMFYSA-N -1 1 359.426 0.598 10 0 FCAEMM CN(CCOCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001336576857 1260176016 /nfs/dbraw/zinc/17/60/16/1260176016.db2.gz MEFUCUYBYPTOEY-NFAWXSAZSA-N -1 1 363.414 0.560 10 0 FCAEMM Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)nc1=O ZINC001278782544 1260731033 /nfs/dbraw/zinc/73/10/33/1260731033.db2.gz YKTPJSAJGUCVHE-VEVIJQCQSA-N -1 1 365.478 0.234 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)C=C(C)C ZINC001282267617 1261398152 /nfs/dbraw/zinc/39/81/52/1261398152.db2.gz QMFIFXSVOJWXFU-UONOGXRCSA-N -1 1 362.430 0.389 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001472001807 1261424254 /nfs/dbraw/zinc/42/42/54/1261424254.db2.gz GXQZHTQLBRVKNG-NSHDSACASA-N -1 1 367.427 0.133 10 0 FCAEMM Cc1cncn1CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282495925 1261486800 /nfs/dbraw/zinc/48/68/00/1261486800.db2.gz VKYNVZLPQLQTMA-TZMCWYRMSA-N -1 1 357.414 0.817 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001286050792 1261908675 /nfs/dbraw/zinc/90/86/75/1261908675.db2.gz JZKOPEVSBMIYKN-NEPJUHHUSA-N -1 1 360.414 0.458 10 0 FCAEMM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C1CCCC1 ZINC001289152462 1262129833 /nfs/dbraw/zinc/12/98/33/1262129833.db2.gz NCMPANVGSQFDSE-XPKDYRNWSA-N -1 1 363.414 0.294 10 0 FCAEMM CC[C@H](F)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001290178095 1262396117 /nfs/dbraw/zinc/39/61/17/1262396117.db2.gz MEYUBIUMILAENN-AEJSXWLSSA-N -1 1 370.381 0.659 10 0 FCAEMM O=C(NCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001291982610 1262625102 /nfs/dbraw/zinc/62/51/02/1262625102.db2.gz KYWRGDAQKJBPGU-AGIUHOORSA-N -1 1 358.398 0.175 10 0 FCAEMM CC(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001292031087 1262633444 /nfs/dbraw/zinc/63/34/44/1262633444.db2.gz OQQLGAWVMDENBU-BZPMIXESSA-N -1 1 372.429 0.716 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC2(CC(=O)N2)CC1 ZINC001292405615 1262694513 /nfs/dbraw/zinc/69/45/13/1262694513.db2.gz CAKUQMQHKKGTNJ-UHFFFAOYSA-N -1 1 367.409 0.564 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC001295412126 1262764402 /nfs/dbraw/zinc/76/44/02/1262764402.db2.gz UCYKZJFEJIDUTG-LLVKDONJSA-N -1 1 366.422 0.278 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001296952183 1262844782 /nfs/dbraw/zinc/84/47/82/1262844782.db2.gz CZCVCOBGPAHUEG-HZSPNIEDSA-N -1 1 362.430 0.080 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)n[n-]1 ZINC001300602045 1262992031 /nfs/dbraw/zinc/99/20/31/1262992031.db2.gz LCMVPBFBSQTTPM-CABZTGNLSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)[n-]1 ZINC001300602045 1262992035 /nfs/dbraw/zinc/99/20/35/1262992035.db2.gz LCMVPBFBSQTTPM-CABZTGNLSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1 ZINC001300602045 1262992037 /nfs/dbraw/zinc/99/20/37/1262992037.db2.gz LCMVPBFBSQTTPM-CABZTGNLSA-N -1 1 373.369 0.948 10 0 FCAEMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001301574853 1263011536 /nfs/dbraw/zinc/01/15/36/1263011536.db2.gz CSDRQCPWFFIFOS-MRXNPFEDSA-N -1 1 368.390 0.530 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H](O)c1cccnc1 ZINC001302365128 1263044703 /nfs/dbraw/zinc/04/47/03/1263044703.db2.gz XPEWPFHLHRFFBG-HUUCEWRRSA-N -1 1 358.350 0.751 10 0 FCAEMM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@H](CO)Cc1cnc[nH]1 ZINC001302759331 1263056728 /nfs/dbraw/zinc/05/67/28/1263056728.db2.gz QCYWFYFXTXRNDN-LBPRGKRZSA-N -1 1 373.438 0.518 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(=O)NCc1ccco1 ZINC001479704602 1263355622 /nfs/dbraw/zinc/35/56/22/1263355622.db2.gz UQFDZDGKCRUWQO-OCCSQVGLSA-N -1 1 358.398 0.889 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1c1ccccc1 ZINC001316643528 1263391918 /nfs/dbraw/zinc/39/19/18/1263391918.db2.gz FOPSUOXWZNPTEU-RRFJBIMHSA-N -1 1 361.421 0.941 10 0 FCAEMM CC/C(C)=C/C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316668718 1263409885 /nfs/dbraw/zinc/40/98/85/1263409885.db2.gz AHAIMLFFZHAQAG-GELAOTILSA-N -1 1 359.434 0.684 10 0 FCAEMM CCCN(C(=O)[C@]12C[C@H]1COC2)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001479992991 1263421497 /nfs/dbraw/zinc/42/14/97/1263421497.db2.gz GCWSMJGJSOZDHN-UGSOOPFHSA-N -1 1 363.462 0.348 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC001320245749 1263777032 /nfs/dbraw/zinc/77/70/32/1263777032.db2.gz BXAVQIPAUAABAC-ZDUSSCGKSA-N -1 1 350.342 0.095 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[C@@H]1CCOC1 ZINC001320904228 1263876515 /nfs/dbraw/zinc/87/65/15/1263876515.db2.gz FYOYLXGGHGLKGA-CQSZACIVSA-N -1 1 364.446 0.803 10 0 FCAEMM Cc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001321291409 1263931029 /nfs/dbraw/zinc/93/10/29/1263931029.db2.gz RITKTPUTRYKQSI-MYIWKSEUSA-N -1 1 355.442 0.983 10 0 FCAEMM O=C([O-])c1cccc(N2C(=O)C[C@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)c1 ZINC001321393846 1263951948 /nfs/dbraw/zinc/95/19/48/1263951948.db2.gz UBPARPXGYBURHE-UGSOOPFHSA-N -1 1 357.366 0.229 10 0 FCAEMM O=C(NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ncccc1[O-] ZINC001506815764 1264343943 /nfs/dbraw/zinc/34/39/43/1264343943.db2.gz SMGJYLHZBBNWPE-FMTVUPSXSA-N -1 1 371.397 0.007 10 0 FCAEMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001508032013 1264393204 /nfs/dbraw/zinc/39/32/04/1264393204.db2.gz TWEQYWSVQFJLBB-NQBHXWOUSA-N -1 1 361.450 0.668 10 0 FCAEMM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ncccc1[O-] ZINC001510908145 1264516804 /nfs/dbraw/zinc/51/68/04/1264516804.db2.gz DXXAXASWWKHWLJ-HZSPNIEDSA-N -1 1 356.382 0.193 10 0 FCAEMM CN(C[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2)C(=O)c1ncccc1[O-] ZINC001511520063 1264550501 /nfs/dbraw/zinc/55/05/01/1264550501.db2.gz RVDNSPRFNFZESO-DFHBCGBQSA-N -1 1 363.414 0.296 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001511662009 1264573528 /nfs/dbraw/zinc/57/35/28/1264573528.db2.gz YFEAEDDWGKFYGW-NFAWXSAZSA-N -1 1 365.430 0.494 10 0 FCAEMM O=C(C=C1CCC1)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001515018141 1265400466 /nfs/dbraw/zinc/40/04/66/1265400466.db2.gz IXPSLWLKFLSYOT-QWHCGFSZSA-N -1 1 370.413 0.543 10 0 FCAEMM CC(C)(C)C(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001522258676 1266447085 /nfs/dbraw/zinc/44/70/85/1266447085.db2.gz OSWYDFKBMGATIL-UPJWGTAASA-N -1 1 374.441 0.811 10 0 FCAEMM C[C@@H]1SCCN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)[C@H]1C ZINC001526305784 1266799516 /nfs/dbraw/zinc/79/95/16/1266799516.db2.gz WWEWBIVLHUQEKX-GARJFASQSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1SCCN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)[C@H]1C ZINC001526305784 1266799526 /nfs/dbraw/zinc/79/95/26/1266799526.db2.gz WWEWBIVLHUQEKX-GARJFASQSA-N -1 1 350.452 0.825 10 0 FCAEMM CC(C)N(CCCNC(=O)c1ncccc1[O-])C(=O)[C@H]1OCCO[C@H]1C ZINC001529928195 1267086050 /nfs/dbraw/zinc/08/60/50/1267086050.db2.gz IAZSNXPGYSVEGT-BBRMVZONSA-N -1 1 365.430 0.948 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001532453770 1267170623 /nfs/dbraw/zinc/17/06/23/1267170623.db2.gz HJWBLTQKVIWGMG-XEZPLFJOSA-N -1 1 365.430 0.852 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CCOC1 ZINC001334998619 1267271246 /nfs/dbraw/zinc/27/12/46/1267271246.db2.gz SZZDOAFFYHNITE-KRWDZBQOSA-N -1 1 352.362 0.462 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)[n-]c1Cl ZINC001538201123 1267395595 /nfs/dbraw/zinc/39/55/95/1267395595.db2.gz UGCJYHBTTDYGPM-GFCCVEGCSA-N -1 1 365.795 0.382 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC001540014588 1267438590 /nfs/dbraw/zinc/43/85/90/1267438590.db2.gz XCTJQKCNUHTVSD-KGLIPLIRSA-N -1 1 373.369 0.518 10 0 FCAEMM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544603711 1267586302 /nfs/dbraw/zinc/58/63/02/1267586302.db2.gz CPYNQQNUYUAEAN-BJOHPYRUSA-N -1 1 360.399 0.126 10 0 FCAEMM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544603712 1267586334 /nfs/dbraw/zinc/58/63/34/1267586334.db2.gz CPYNQQNUYUAEAN-PSLIRLAXSA-N -1 1 360.399 0.126 10 0 FCAEMM Cc1cc(Br)c([O-])c(NC(=O)Cn2cnc(C(N)=O)n2)c1 ZINC001546177038 1267638145 /nfs/dbraw/zinc/63/81/45/1267638145.db2.gz MSQSFULECPRXOU-UHFFFAOYSA-N -1 1 354.164 0.792 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC(F)(F)C2)CC1 ZINC001339492454 1268251213 /nfs/dbraw/zinc/25/12/13/1268251213.db2.gz HYFCDXICFOILOC-UHFFFAOYSA-N -1 1 362.421 0.765 10 0 FCAEMM CN1CCN(C)[C@H](CNC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])C1 ZINC001339509671 1268256281 /nfs/dbraw/zinc/25/62/81/1268256281.db2.gz NBXJAIAFUHGOAZ-GDBMZVCRSA-N -1 1 374.441 0.974 10 0 FCAEMM CN1CCN(C)[C@@H](CNC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])C1 ZINC001339509672 1268256704 /nfs/dbraw/zinc/25/67/04/1268256704.db2.gz NBXJAIAFUHGOAZ-GOEBONIOSA-N -1 1 374.441 0.974 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cnc(Cl)cc1Cl ZINC001339835407 1268342367 /nfs/dbraw/zinc/34/23/67/1268342367.db2.gz NMMQPFLFISWATO-VIFPVBQESA-N -1 1 370.258 0.360 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cnc(Cl)cc1Cl ZINC001339835406 1268342385 /nfs/dbraw/zinc/34/23/85/1268342385.db2.gz NMMQPFLFISWATO-SECBINFHSA-N -1 1 370.258 0.360 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)NN=c1[n-]ncc(N)c1Cl ZINC001340508452 1268571934 /nfs/dbraw/zinc/57/19/34/1268571934.db2.gz HTYFEESDMJXTFA-UHFFFAOYSA-N -1 1 352.207 0.713 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCCc2n[n-]c(=S)o2)c1 ZINC001556284033 1268841247 /nfs/dbraw/zinc/84/12/47/1268841247.db2.gz OWNMKCUZNIRWJQ-UHFFFAOYSA-N -1 1 372.428 0.287 10 0 FCAEMM NC(=O)C(=O)Nc1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001556360803 1268848423 /nfs/dbraw/zinc/84/84/23/1268848423.db2.gz BVZGFGSIZQVHPU-UHFFFAOYSA-N -1 1 356.367 0.694 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC001556563185 1268866208 /nfs/dbraw/zinc/86/62/08/1268866208.db2.gz JKKBEBHLNRGFGV-AYVTZFPOSA-N -1 1 365.415 0.372 10 0 FCAEMM CSc1nc(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc(=O)[n-]1 ZINC001557231106 1268935842 /nfs/dbraw/zinc/93/58/42/1268935842.db2.gz LFNXXNXBSWSPNX-UHFFFAOYSA-N -1 1 365.415 0.289 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC001557437245 1268947462 /nfs/dbraw/zinc/94/74/62/1268947462.db2.gz ADVFDFQYSLBURW-AWEZNQCLSA-N -1 1 365.393 0.886 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC001557539255 1268953994 /nfs/dbraw/zinc/95/39/94/1268953994.db2.gz KYYUCJDOMUOLSA-IBGZPJMESA-N -1 1 362.426 0.859 10 0 FCAEMM C[C@@H]1Oc2c(cccc2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)NC1=O ZINC001558049636 1269012829 /nfs/dbraw/zinc/01/28/29/1269012829.db2.gz VNENFTROHDBHCG-VIFPVBQESA-N -1 1 370.365 0.904 10 0 FCAEMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558049004 1269012984 /nfs/dbraw/zinc/01/29/84/1269012984.db2.gz NLDGYAIGIRZTEJ-AWEZNQCLSA-N -1 1 350.419 0.812 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001558347251 1269072955 /nfs/dbraw/zinc/07/29/55/1269072955.db2.gz WYECGCMTYOFVKN-GRYCIOLGSA-N -1 1 350.423 0.894 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)[n-]c1=O ZINC001558500034 1269101830 /nfs/dbraw/zinc/10/18/30/1269101830.db2.gz GMEDNKQJJFVCGY-UHFFFAOYSA-N -1 1 355.416 0.367 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCn2c(cnc2C(F)(F)F)C1 ZINC001558645088 1269127119 /nfs/dbraw/zinc/12/71/19/1269127119.db2.gz MVYJUKWITMKLOU-UHFFFAOYSA-N -1 1 369.303 0.775 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)o1 ZINC001558703034 1269132217 /nfs/dbraw/zinc/13/22/17/1269132217.db2.gz FRAQVVUDLFKGEH-JTQLQIEISA-N -1 1 354.388 0.988 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)n[n-]1 ZINC001558965542 1269155161 /nfs/dbraw/zinc/15/51/61/1269155161.db2.gz AIGZZAMXWSZIGN-VIFPVBQESA-N -1 1 355.395 0.758 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001558965542 1269155165 /nfs/dbraw/zinc/15/51/65/1269155165.db2.gz AIGZZAMXWSZIGN-VIFPVBQESA-N -1 1 355.395 0.758 10 0 FCAEMM CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248592 1269459577 /nfs/dbraw/zinc/45/95/77/1269459577.db2.gz ZAPLOYGDFMQQSB-SMDDNHRTSA-N -1 1 350.419 0.947 10 0 FCAEMM CN(C[C@@H](O)Cc1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565246937 1269459616 /nfs/dbraw/zinc/45/96/16/1269459616.db2.gz ABALRMNQKUIFGB-AWEZNQCLSA-N -1 1 372.425 1.000 10 0 FCAEMM CNS(=O)(=O)N1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001565296945 1269462332 /nfs/dbraw/zinc/46/23/32/1269462332.db2.gz RDVPJOZOSPTBSN-UHFFFAOYSA-N -1 1 362.839 0.337 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614553 1269483292 /nfs/dbraw/zinc/48/32/92/1269483292.db2.gz RQQUNSVAESHXFB-LSYFEZSPSA-N -1 1 356.342 0.144 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001342515371 1269499248 /nfs/dbraw/zinc/49/92/48/1269499248.db2.gz PZEIQYVGNQEWTG-IWSPIJDZSA-N -1 1 356.354 0.221 10 0 FCAEMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001566251809 1269625690 /nfs/dbraw/zinc/62/56/90/1269625690.db2.gz PJFVORSPQDOUET-SNVBAGLBSA-N -1 1 354.432 0.614 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001343004466 1269725209 /nfs/dbraw/zinc/72/52/09/1269725209.db2.gz JBMXAPVCFUWHOU-UHFFFAOYSA-N -1 1 364.401 0.089 10 0 FCAEMM O=C(CC1CC1)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001344238540 1270116404 /nfs/dbraw/zinc/11/64/04/1270116404.db2.gz QOVINBCVCKWQKH-NWDGAFQWSA-N -1 1 358.402 0.232 10 0 FCAEMM CCCCCCOCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001572989422 1270459731 /nfs/dbraw/zinc/45/97/31/1270459731.db2.gz MHRFQOCQLMPQAK-HIFRSBDPSA-N -1 1 365.430 0.686 10 0 FCAEMM CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OCC ZINC001573212772 1270676112 /nfs/dbraw/zinc/67/61/12/1270676112.db2.gz CQODOBMNHMLELV-TZMCWYRMSA-N -1 1 351.403 0.417 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001573265003 1270719261 /nfs/dbraw/zinc/71/92/61/1270719261.db2.gz WCUYOTMBOUJAKE-MELADBBJSA-N -1 1 362.430 0.811 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCF)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001573288979 1270739512 /nfs/dbraw/zinc/73/95/12/1270739512.db2.gz BKKNBCHRZAUXCE-QWHCGFSZSA-N -1 1 368.409 0.172 10 0 FCAEMM CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001573563324 1270831743 /nfs/dbraw/zinc/83/17/43/1270831743.db2.gz GAZONRMYVQZEEC-VGMNWLOBSA-N -1 1 356.354 0.364 10 0 FCAEMM CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)CC1 ZINC001574304220 1271180056 /nfs/dbraw/zinc/18/00/56/1271180056.db2.gz BFIUPAQKKYPZSS-RDBSUJKOSA-N -1 1 374.441 0.365 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1CCC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001718573858 1287521834 /nfs/dbraw/zinc/52/18/34/1287521834.db2.gz DARJIRQJSPXJBG-VEVIJQCQSA-N -1 1 362.430 0.080 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC001584176548 1282140980 /nfs/dbraw/zinc/14/09/80/1282140980.db2.gz QDMWEMNNGCIRPR-ZWNMCFTASA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C=CCOC2CCOCC2)[n-]1 ZINC001584176548 1282140985 /nfs/dbraw/zinc/14/09/85/1282140985.db2.gz QDMWEMNNGCIRPR-ZWNMCFTASA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)/C=C/COC2CCOCC2)n1 ZINC001584176548 1282140989 /nfs/dbraw/zinc/14/09/89/1282140989.db2.gz QDMWEMNNGCIRPR-ZWNMCFTASA-N -1 1 352.391 0.910 10 0 FCAEMM CN1c2ccccc2C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC001584235495 1282145121 /nfs/dbraw/zinc/14/51/21/1282145121.db2.gz IQCGWCRVMUVLBL-GFCCVEGCSA-N -1 1 354.366 0.221 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC001632093671 1282155308 /nfs/dbraw/zinc/15/53/08/1282155308.db2.gz ZZNYNWGHTOOWTD-UHFFFAOYSA-N -1 1 356.365 0.496 10 0 FCAEMM CNc1cc(I)ccc1C(=O)NCc1nn[n-]n1 ZINC001584967628 1282185134 /nfs/dbraw/zinc/18/51/34/1282185134.db2.gz AZVUZBGDIYAHPH-UHFFFAOYSA-N -1 1 358.143 0.776 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)n[n-]1 ZINC001632567688 1282187252 /nfs/dbraw/zinc/18/72/52/1282187252.db2.gz RPTWJJASIRVCDR-SECBINFHSA-N -1 1 357.370 0.896 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)[n-]1 ZINC001632567688 1282187257 /nfs/dbraw/zinc/18/72/57/1282187257.db2.gz RPTWJJASIRVCDR-SECBINFHSA-N -1 1 357.370 0.896 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)n1 ZINC001632567688 1282187262 /nfs/dbraw/zinc/18/72/62/1282187262.db2.gz RPTWJJASIRVCDR-SECBINFHSA-N -1 1 357.370 0.896 10 0 FCAEMM O=C(c1nnc(O)nc1O)N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC001586181712 1282278997 /nfs/dbraw/zinc/27/89/97/1282278997.db2.gz OVZPUGMOHCZEKJ-ZETCQYMHSA-N -1 1 363.403 0.518 10 0 FCAEMM O=C(CNC(=O)c1ccc([O-])cc1F)NCC(=O)NCc1ccccc1 ZINC001634180625 1282307622 /nfs/dbraw/zinc/30/76/22/1282307622.db2.gz GWEOOLVLQPNKRZ-UHFFFAOYSA-N -1 1 359.357 0.694 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC4(C3)C[C@@H](O)CNC4=O)c2)o1 ZINC001634493069 1282334729 /nfs/dbraw/zinc/33/47/29/1282334729.db2.gz ZPEIOUWEYOHMGF-GFCCVEGCSA-N -1 1 370.361 0.788 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1nn[n-]n1 ZINC001634622370 1282339146 /nfs/dbraw/zinc/33/91/46/1282339146.db2.gz PXIMGSGJRLFIKE-CYBMUJFWSA-N -1 1 360.418 0.980 10 0 FCAEMM COC[C@H](NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001634621870 1282340308 /nfs/dbraw/zinc/34/03/08/1282340308.db2.gz KUNYZJIDOXYTBJ-JTQLQIEISA-N -1 1 372.401 0.743 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001634836674 1282359641 /nfs/dbraw/zinc/35/96/41/1282359641.db2.gz JIVPPGNTCSIGHL-UHFFFAOYSA-N -1 1 370.431 0.491 10 0 FCAEMM CCNC(=O)Nc1cc(F)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001587563609 1282363407 /nfs/dbraw/zinc/36/34/07/1282363407.db2.gz MFOLIXIOYUIHPH-UHFFFAOYSA-N -1 1 363.349 0.846 10 0 FCAEMM COC(=O)c1ccc(C=CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001588033429 1282400179 /nfs/dbraw/zinc/40/01/79/1282400179.db2.gz WKBQLLKRFMNXKV-HYXAFXHYSA-N -1 1 359.338 0.964 10 0 FCAEMM NC(=O)COCCNC(=O)c1ccc(I)cc1[O-] ZINC001588313782 1282416768 /nfs/dbraw/zinc/41/67/68/1282416768.db2.gz UHNMXKMUCQYPIK-UHFFFAOYSA-N -1 1 364.139 0.229 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[n-]c1=O ZINC001635629942 1282417855 /nfs/dbraw/zinc/41/78/55/1282417855.db2.gz GWFZJTWWZLSRBA-JTQLQIEISA-N -1 1 357.432 0.757 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)[n-]c1=O ZINC001635629932 1282417950 /nfs/dbraw/zinc/41/79/50/1282417950.db2.gz GPBYCYKUCQEVRW-RTCCRHLQSA-N -1 1 369.443 0.898 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)o1 ZINC001636370410 1282493334 /nfs/dbraw/zinc/49/33/34/1282493334.db2.gz ZZTSATKHYDLIMP-DBIOUOCHSA-N -1 1 356.400 0.505 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)o1 ZINC001636370411 1282493351 /nfs/dbraw/zinc/49/33/51/1282493351.db2.gz ZZTSATKHYDLIMP-YTWAJWBKSA-N -1 1 356.400 0.505 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001637938806 1282643416 /nfs/dbraw/zinc/64/34/16/1282643416.db2.gz HEJDUGOLEYAQAL-AWEZNQCLSA-N -1 1 365.430 0.409 10 0 FCAEMM CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCc2nn[n-]n2)c1 ZINC001638125698 1282662441 /nfs/dbraw/zinc/66/24/41/1282662441.db2.gz SDLBODCEHUGKMV-UHFFFAOYSA-N -1 1 357.823 0.896 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)co1 ZINC001638606282 1282709525 /nfs/dbraw/zinc/70/95/25/1282709525.db2.gz PZRSOSMZMGZYMP-NGOBNIPXSA-N -1 1 372.443 0.890 10 0 FCAEMM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001639202070 1282758070 /nfs/dbraw/zinc/75/80/70/1282758070.db2.gz GEVQSBIYKJMDHU-AWEZNQCLSA-N -1 1 371.384 0.735 10 0 FCAEMM COC(=O)[C@@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C[C@H]1c1ccccc1 ZINC001639431722 1282786493 /nfs/dbraw/zinc/78/64/93/1282786493.db2.gz BRSVFGRARKVWPH-UGSOOPFHSA-N -1 1 371.397 0.357 10 0 FCAEMM COC(=O)c1ccn(CC(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)n1 ZINC001640132844 1282842536 /nfs/dbraw/zinc/84/25/36/1282842536.db2.gz SLUGLWXWEIWQSM-NSHDSACASA-N -1 1 361.358 0.538 10 0 FCAEMM NS(=O)(=O)CCOCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001640284449 1282852228 /nfs/dbraw/zinc/85/22/28/1282852228.db2.gz DJJGCSNWSGUMEW-UHFFFAOYSA-N -1 1 357.363 0.114 10 0 FCAEMM COCCNC(=O)c1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC001640500977 1282869165 /nfs/dbraw/zinc/86/91/65/1282869165.db2.gz ZQJDYTSOLVBWBM-UHFFFAOYSA-N -1 1 372.381 0.532 10 0 FCAEMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC001640619397 1282882488 /nfs/dbraw/zinc/88/24/88/1282882488.db2.gz HFKWJIHHFNZPOM-JTQLQIEISA-N -1 1 372.303 0.710 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](CO)c1cc(F)ccc1F ZINC001640616691 1282882514 /nfs/dbraw/zinc/88/25/14/1282882514.db2.gz YGJQBQNQPYVLEM-GFCCVEGCSA-N -1 1 351.309 0.645 10 0 FCAEMM CN1c2ccccc2CN(C(=O)CNC(=O)c2ncccc2[O-])CC1=O ZINC001640694148 1282891366 /nfs/dbraw/zinc/89/13/66/1282891366.db2.gz KHDWIBVRERFQGK-UHFFFAOYSA-N -1 1 354.366 0.522 10 0 FCAEMM COCCn1nnc2c1CCN(C(=O)c1c(C)[nH]c(=O)[n-]c1=S)C2 ZINC001641359845 1282942640 /nfs/dbraw/zinc/94/26/40/1282942640.db2.gz XQBIGSOJRDNAJM-UHFFFAOYSA-N -1 1 350.404 0.216 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cc2ccccc2S(C)(=O)=O)n[n-]1 ZINC001641468313 1282953953 /nfs/dbraw/zinc/95/39/53/1282953953.db2.gz RWIFQECHABFRJR-UHFFFAOYSA-N -1 1 366.399 0.244 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2ccccc2S(C)(=O)=O)n1 ZINC001641468313 1282953958 /nfs/dbraw/zinc/95/39/58/1282953958.db2.gz RWIFQECHABFRJR-UHFFFAOYSA-N -1 1 366.399 0.244 10 0 FCAEMM COc1ccc([C@H](CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)NC(C)=O)cc1 ZINC001642263557 1282994890 /nfs/dbraw/zinc/99/48/90/1282994890.db2.gz HGSHSRNAZWALGH-LSDHHAIUSA-N -1 1 374.401 0.376 10 0 FCAEMM CN(C(=O)c1cccn2c(I)cnc12)c1nn[n-]n1 ZINC001642427538 1283008421 /nfs/dbraw/zinc/00/84/21/1283008421.db2.gz PTKDVWKSNBJOEK-UHFFFAOYSA-N -1 1 369.126 0.729 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001642512224 1283016881 /nfs/dbraw/zinc/01/68/81/1283016881.db2.gz XCPPMLZBSQJLHN-BDAKNGLRSA-N -1 1 370.431 0.489 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCOCC1CC1 ZINC001683219538 1283897410 /nfs/dbraw/zinc/89/74/10/1283897410.db2.gz CRVAYNFDKYUQJR-UKRRQHHQSA-N -1 1 363.414 0.560 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCN(C(=O)C2CC2)CC1 ZINC001683594476 1284052382 /nfs/dbraw/zinc/05/23/82/1284052382.db2.gz MNJOVVOKWLQBQO-UHFFFAOYSA-N -1 1 361.402 0.019 10 0 FCAEMM CC(C)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1(O)CCOC1 ZINC001683594744 1284052747 /nfs/dbraw/zinc/05/27/47/1284052747.db2.gz PJAGYZPCIKLRQT-QGZVFWFLSA-N -1 1 366.418 0.232 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001684342324 1284158709 /nfs/dbraw/zinc/15/87/09/1284158709.db2.gz MREZAPOMBVMYJG-GFCCVEGCSA-N -1 1 354.313 0.159 10 0 FCAEMM CCN(CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001702689049 1285787523 /nfs/dbraw/zinc/78/75/23/1285787523.db2.gz DWHAPEHTJKYLNI-UPJWGTAASA-N -1 1 369.441 0.823 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1ncc[nH]1 ZINC001702854686 1285947213 /nfs/dbraw/zinc/94/72/13/1285947213.db2.gz FAUWKPZUFLWMDB-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccco1 ZINC001702928697 1286005947 /nfs/dbraw/zinc/00/59/47/1286005947.db2.gz LPPLTVOWEIJRRY-AGIUHOORSA-N -1 1 372.381 0.082 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001594593695 1286230722 /nfs/dbraw/zinc/23/07/22/1286230722.db2.gz OVWOYSXCWGTCFK-CQSZACIVSA-N -1 1 358.373 0.829 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3nnn(C)c3C(F)(F)F)nc2n1 ZINC001595392003 1286246188 /nfs/dbraw/zinc/24/61/88/1286246188.db2.gz JKOZMLOHRNTFCU-UHFFFAOYSA-N -1 1 356.268 0.380 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)O2 ZINC001596518469 1286305856 /nfs/dbraw/zinc/30/58/56/1286305856.db2.gz PZVVRBGVDXLYLM-IPJQOSJUSA-N -1 1 351.403 0.016 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001705469237 1286399322 /nfs/dbraw/zinc/39/93/22/1286399322.db2.gz OYPQVFHWBKOHHC-IAISJRAMSA-N -1 1 363.414 0.296 10 0 FCAEMM CCC[C@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001719242537 1287934237 /nfs/dbraw/zinc/93/42/37/1287934237.db2.gz QZWVJSHBHOKPSB-VHDGCEQUSA-N -1 1 365.430 0.948 10 0 FCAEMM CCO[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001719485713 1288140776 /nfs/dbraw/zinc/14/07/76/1288140776.db2.gz AMUICHIBLCGHJM-UMVBOHGHSA-N -1 1 365.430 0.806 10 0 FCAEMM COCCN(CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001734582519 1288661865 /nfs/dbraw/zinc/66/18/65/1288661865.db2.gz XWIKHROKGLWLQT-CHWSQXEVSA-N -1 1 353.467 0.355 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])CCOC ZINC001735469153 1288749310 /nfs/dbraw/zinc/74/93/10/1288749310.db2.gz SZOJXELTIMMGHN-HIFRSBDPSA-N -1 1 365.430 0.807 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)n[n-]1 ZINC001611155362 1289633286 /nfs/dbraw/zinc/63/32/86/1289633286.db2.gz ZKMXVZVQXVENDR-VIFPVBQESA-N -1 1 361.333 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)n1 ZINC001611155362 1289633294 /nfs/dbraw/zinc/63/32/94/1289633294.db2.gz ZKMXVZVQXVENDR-VIFPVBQESA-N -1 1 361.333 0.863 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1ncccc1[O-] ZINC001701232889 1289640970 /nfs/dbraw/zinc/64/09/70/1289640970.db2.gz ASRUSNVVMPOFBI-JHJVBQTASA-N -1 1 357.414 0.901 10 0 FCAEMM CCS(=O)(=O)CCCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC001611444830 1289649638 /nfs/dbraw/zinc/64/96/38/1289649638.db2.gz YNMJZTFFVSSWTR-UHFFFAOYSA-N -1 1 368.459 0.925 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616142769 1289769092 /nfs/dbraw/zinc/76/90/92/1289769092.db2.gz SSTVHSIOZJIQGU-QWHCGFSZSA-N -1 1 357.370 0.832 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)CN2CCCCS2(=O)=O)[n-]1 ZINC001616255279 1289773034 /nfs/dbraw/zinc/77/30/34/1289773034.db2.gz YRFJUWCJMVMDFZ-UHFFFAOYSA-N -1 1 357.388 0.368 10 0 FCAEMM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001702168667 1289778112 /nfs/dbraw/zinc/77/81/12/1289778112.db2.gz BSQWCGBAABTDHT-HOSYDEDBSA-N -1 1 357.357 0.770 10 0 FCAEMM Cc1nc2ccc(O)cc2cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617702574 1289856637 /nfs/dbraw/zinc/85/66/37/1289856637.db2.gz AYWUUDHOFQVZLB-UHFFFAOYSA-N -1 1 354.370 0.886 10 0 FCAEMM CC(C)(C)OC(=O)[C@@]1(NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001619922149 1289969371 /nfs/dbraw/zinc/96/93/71/1289969371.db2.gz CFQDBFKAUQYFLC-QGZVFWFLSA-N -1 1 351.403 0.845 10 0 FCAEMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001623788601 1290236765 /nfs/dbraw/zinc/23/67/65/1290236765.db2.gz GBFOOXYIONXCRA-CYBMUJFWSA-N -1 1 372.418 0.798 10 0 FCAEMM COC(=O)Cn1nc(C)c(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1C ZINC001624433006 1290271372 /nfs/dbraw/zinc/27/13/72/1290271372.db2.gz TUBNZXOQJGOLSQ-UHFFFAOYSA-N -1 1 365.415 0.696 10 0 FCAEMM CN(C)C(=O)C=CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786012 1290295830 /nfs/dbraw/zinc/29/58/30/1290295830.db2.gz NJTZHAZXVGHHNK-GFUIURDCSA-N -1 1 352.757 0.842 10 0 FCAEMM O=C(CCC(F)F)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001739652894 1290303000 /nfs/dbraw/zinc/30/30/00/1290303000.db2.gz MENMCABTKQBXRN-MNOVXSKESA-N -1 1 370.356 0.406 10 0 FCAEMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001626046839 1290372664 /nfs/dbraw/zinc/37/26/64/1290372664.db2.gz PGAGUKXWFAIIHU-BLLLJJGKSA-N -1 1 351.407 0.128 10 0 FCAEMM COc1ccc(CN2CC[C@H](NC(=O)CCc3nn[n-]n3)C2=O)c(OC)c1 ZINC001627052696 1290434385 /nfs/dbraw/zinc/43/43/85/1290434385.db2.gz TXYUHQZYRUOPED-ZDUSSCGKSA-N -1 1 374.401 0.067 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001627470080 1290465246 /nfs/dbraw/zinc/46/52/46/1290465246.db2.gz RNRSOGYJPBFASH-CQSZACIVSA-N -1 1 373.456 0.242 10 0 FCAEMM C[C@H](NC(=O)CCc1nn[n-]n1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001627889553 1290492354 /nfs/dbraw/zinc/49/23/54/1290492354.db2.gz XXNHPTOTFNJVTK-JTQLQIEISA-N -1 1 352.420 0.260 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)CCN1C(=O)c1ncccc1[O-] ZINC001740104438 1290495141 /nfs/dbraw/zinc/49/51/41/1290495141.db2.gz BNMAKKIQZQLUJB-MNOVXSKESA-N -1 1 369.443 0.330 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCn1ccnn1 ZINC001740167332 1290503640 /nfs/dbraw/zinc/50/36/40/1290503640.db2.gz NJUCJLCABSQHDV-CHWSQXEVSA-N -1 1 358.402 0.293 10 0 FCAEMM NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001629318405 1290591021 /nfs/dbraw/zinc/59/10/21/1290591021.db2.gz ASBCEONEFLZEFF-UHFFFAOYSA-N -1 1 371.321 0.895 10 0 FCAEMM COc1ccc(NC(=O)CC2(O)CCOCC2)cc1[N-]S(C)(=O)=O ZINC001629489277 1290602003 /nfs/dbraw/zinc/60/20/03/1290602003.db2.gz PNLCSXVRPJEHAC-UHFFFAOYSA-N -1 1 358.416 0.937 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC001630053065 1290647500 /nfs/dbraw/zinc/64/75/00/1290647500.db2.gz BACKIZRQWFAVPI-UHFFFAOYSA-N -1 1 364.369 0.629 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)CNC(=O)c3ncccc3[O-])C[C@H]1CCCC2 ZINC001631588239 1290740645 /nfs/dbraw/zinc/74/06/45/1290740645.db2.gz LQGXSWBLOZJFCN-KZULUSFZSA-N -1 1 361.398 0.709 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001643192946 1290858171 /nfs/dbraw/zinc/85/81/71/1290858171.db2.gz WEEVZCYAAPDOLC-SSDOTTSWSA-N -1 1 355.152 0.277 10 0 FCAEMM CNC(=O)NC[C@H]1COCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001643283920 1290870301 /nfs/dbraw/zinc/87/03/01/1290870301.db2.gz ZLSTWSWRHWVYLK-JTQLQIEISA-N -1 1 362.361 0.850 10 0 FCAEMM CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](c3nn[n-]n3)C1)C2=O ZINC001643386857 1290880359 /nfs/dbraw/zinc/88/03/59/1290880359.db2.gz KCISEPCVIZQBSB-CSJGVYOVSA-N -1 1 361.406 0.016 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2[nH]cnc2C12CCOCC2 ZINC001643702673 1290910354 /nfs/dbraw/zinc/91/03/54/1290910354.db2.gz BMXJJUMHTHUKIG-UHFFFAOYSA-N -1 1 371.397 0.331 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2nc[nH]c2C12CCOCC2 ZINC001643702673 1290910371 /nfs/dbraw/zinc/91/03/71/1290910371.db2.gz BMXJJUMHTHUKIG-UHFFFAOYSA-N -1 1 371.397 0.331 10 0 FCAEMM Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001643702829 1290910780 /nfs/dbraw/zinc/91/07/80/1290910780.db2.gz DKGYYYJKMUSPBU-AWEZNQCLSA-N -1 1 372.389 0.100 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001643824254 1290917995 /nfs/dbraw/zinc/91/79/95/1290917995.db2.gz VZWFOARWNUYUBJ-UHFFFAOYSA-N -1 1 372.838 0.950 10 0 FCAEMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cnc(SC)[n-]c1=O ZINC001644113097 1290940543 /nfs/dbraw/zinc/94/05/43/1290940543.db2.gz XCHKLUNBAPTHSO-QMMMGPOBSA-N -1 1 355.338 0.916 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)co1 ZINC001644274198 1290951402 /nfs/dbraw/zinc/95/14/02/1290951402.db2.gz ABSJKXYIGWSRNA-GFCCVEGCSA-N -1 1 358.416 0.191 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCn2c(CC3CC3)nnc2C1 ZINC001644483583 1290964104 /nfs/dbraw/zinc/96/41/04/1290964104.db2.gz MYJRVBOOVAWREM-UHFFFAOYSA-N -1 1 356.386 0.103 10 0 FCAEMM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1cc(I)ccc1[O-] ZINC001644989365 1291000344 /nfs/dbraw/zinc/00/03/44/1291000344.db2.gz QLHYWLOGGHYIGC-FJPPDTINSA-N -1 1 363.151 0.611 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)co1 ZINC001645880531 1291047071 /nfs/dbraw/zinc/04/70/71/1291047071.db2.gz MLABOOGKUWICQF-NSHDSACASA-N -1 1 357.388 0.148 10 0 FCAEMM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)c1nn(C)cc1[O-] ZINC001648329102 1291118809 /nfs/dbraw/zinc/11/88/09/1291118809.db2.gz LOMHRKSNVWMDRY-SECBINFHSA-N -1 1 368.415 0.573 10 0 FCAEMM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1=NN(C)CC1=O ZINC001648329102 1291118811 /nfs/dbraw/zinc/11/88/11/1291118811.db2.gz LOMHRKSNVWMDRY-SECBINFHSA-N -1 1 368.415 0.573 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001648406399 1291119868 /nfs/dbraw/zinc/11/98/68/1291119868.db2.gz YIBTVPFVIQBGIW-JTQLQIEISA-N -1 1 358.420 0.136 10 0 FCAEMM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001648468865 1291123600 /nfs/dbraw/zinc/12/36/00/1291123600.db2.gz OSPJSMMYXZJMTR-KGLIPLIRSA-N -1 1 356.386 0.543 10 0 FCAEMM CC(C)(C)OC(=O)NCCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650748028 1291177941 /nfs/dbraw/zinc/17/79/41/1291177941.db2.gz CURNMUFNCUPTEC-UHFFFAOYSA-N -1 1 352.391 0.786 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCN1c1ncccn1 ZINC001650747907 1291178175 /nfs/dbraw/zinc/17/81/75/1291178175.db2.gz AVZTVFRMGDYMAT-CYBMUJFWSA-N -1 1 356.386 0.330 10 0 FCAEMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650857877 1291181311 /nfs/dbraw/zinc/18/13/11/1291181311.db2.gz KXJOFJILMRQMJO-CABZTGNLSA-N -1 1 374.405 0.731 10 0 FCAEMM COC[C@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)c1nn[n-]n1 ZINC001651846524 1291242851 /nfs/dbraw/zinc/24/28/51/1291242851.db2.gz FUDXNYGRGLLQGM-ZDUSSCGKSA-N -1 1 362.390 0.662 10 0 FCAEMM COC[C@@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)c1nn[n-]n1 ZINC001651846523 1291243013 /nfs/dbraw/zinc/24/30/13/1291243013.db2.gz FUDXNYGRGLLQGM-CYBMUJFWSA-N -1 1 362.390 0.662 10 0 FCAEMM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651874708 1291247129 /nfs/dbraw/zinc/24/71/29/1291247129.db2.gz PLPCVLNFURYRSO-LBPRGKRZSA-N -1 1 369.385 0.498 10 0 FCAEMM O=C(Cc1cccc(F)c1)NCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651875312 1291247469 /nfs/dbraw/zinc/24/74/69/1291247469.db2.gz WUBFNNZJCSIKNJ-ZDUSSCGKSA-N -1 1 360.393 0.479 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]2C2CCCC2)o1 ZINC001653719774 1291365340 /nfs/dbraw/zinc/36/53/40/1291365340.db2.gz RNMQYSZJZFGZLO-NSHDSACASA-N -1 1 355.416 0.448 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cc2ccc(OCCOC)cc2)n[n-]1 ZINC001654490350 1291413808 /nfs/dbraw/zinc/41/38/08/1291413808.db2.gz OYDVRRHRXSDXCG-UHFFFAOYSA-N -1 1 362.386 0.866 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2ccc(OCCOC)cc2)n1 ZINC001654490350 1291413810 /nfs/dbraw/zinc/41/38/10/1291413810.db2.gz OYDVRRHRXSDXCG-UHFFFAOYSA-N -1 1 362.386 0.866 10 0 FCAEMM COC(=O)c1c(NC(=O)c2ccc(OC)nc2Cl)n[n-]c1OCCO ZINC001654666913 1291425054 /nfs/dbraw/zinc/42/50/54/1291425054.db2.gz IDGKZLIQGNBWOH-UHFFFAOYSA-N -1 1 370.749 0.877 10 0 FCAEMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1ccc(OC)nc1Cl ZINC001654666913 1291425061 /nfs/dbraw/zinc/42/50/61/1291425061.db2.gz IDGKZLIQGNBWOH-UHFFFAOYSA-N -1 1 370.749 0.877 10 0 FCAEMM CN(CCN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Cc1nc(=O)n(C)[n-]1 ZINC001667600523 1291940354 /nfs/dbraw/zinc/94/03/54/1291940354.db2.gz OMMBMBGMYUTQIP-HNAYVOBHSA-N -1 1 357.458 0.976 10 0 FCAEMM CC/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001685321292 1292498541 /nfs/dbraw/zinc/49/85/41/1292498541.db2.gz OIKMFPGCBTXKND-KJNJGPFHSA-N -1 1 364.402 0.972 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)C2CC2)C1 ZINC001685798237 1292640937 /nfs/dbraw/zinc/64/09/37/1292640937.db2.gz MCJXYCBKOSZDFP-MWLCHTKSSA-N -1 1 364.402 0.521 10 0 FCAEMM COC(=O)C[C@H](CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC001687049603 1292979668 /nfs/dbraw/zinc/97/96/68/1292979668.db2.gz JRYWJYKXZRAUNA-LLVKDONJSA-N -1 1 364.402 0.643 10 0 FCAEMM COC(=O)C=Cc1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)cc1 ZINC000747610001 836251981 /nfs/dbraw/zinc/25/19/81/836251981.db2.gz ZHVLVHQEPKCOII-YVMONPNESA-N -1 1 364.383 0.977 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N(C)CC(=O)NC1CC1 ZINC000749279633 836353427 /nfs/dbraw/zinc/35/34/27/836353427.db2.gz OQNQKLMEMCZSRQ-QMMMGPOBSA-N -1 1 356.325 0.953 10 0 FCAEMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000749294374 836354817 /nfs/dbraw/zinc/35/48/17/836354817.db2.gz HHAYSLDPMRIATH-GFCCVEGCSA-N -1 1 353.828 0.628 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccs1 ZINC001118189575 847317014 /nfs/dbraw/zinc/31/70/14/847317014.db2.gz FBJKMPSEHHJTTR-QJPTWQEYSA-N -1 1 353.444 0.837 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1ncnn1CCF ZINC001118569444 847482485 /nfs/dbraw/zinc/48/24/85/847482485.db2.gz WPAXMCHAONUDSC-WCBMZHEXSA-N -1 1 367.303 0.344 10 0 FCAEMM C[C@]12CSC[C@H]1CN(c1nnc(-c3nnn[n-]3)n1C[C@@H]1CCOC1)C2 ZINC001123237487 848580264 /nfs/dbraw/zinc/58/02/64/848580264.db2.gz UUUUTAYTRSABEX-RWSFTLGLSA-N -1 1 362.463 0.684 10 0 FCAEMM C[C@]12CSC[C@H]1CN(c1nnc(-c3nn[n-]n3)n1C[C@@H]1CCOC1)C2 ZINC001123237487 848580269 /nfs/dbraw/zinc/58/02/69/848580269.db2.gz UUUUTAYTRSABEX-RWSFTLGLSA-N -1 1 362.463 0.684 10 0 FCAEMM O=C([O-])[C@H]1CCCN(CC(=O)N2CC3(CCOCC3)CC[C@@H]2CO)C1 ZINC001123298612 848584551 /nfs/dbraw/zinc/58/45/51/848584551.db2.gz UUKHBGVZARGPAP-LSDHHAIUSA-N -1 1 354.447 0.563 10 0 FCAEMM CNC(=O)C1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCC1 ZINC001137782647 849283687 /nfs/dbraw/zinc/28/36/87/849283687.db2.gz AYVDKLMTABUEME-UHFFFAOYSA-N -1 1 367.427 0.688 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC001138451370 849311249 /nfs/dbraw/zinc/31/12/49/849311249.db2.gz CUFGFCUDPSZISF-UHFFFAOYSA-N -1 1 368.394 0.128 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N(CCO)Cc1cccnc1Cl ZINC001138997016 849324186 /nfs/dbraw/zinc/32/41/86/849324186.db2.gz FRDHZCQFYLKJSM-UHFFFAOYSA-N -1 1 364.789 0.587 10 0 FCAEMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001139657044 849344754 /nfs/dbraw/zinc/34/47/54/849344754.db2.gz FDHOGLXWBRIJHC-WDEREUQCSA-N -1 1 357.432 0.390 10 0 FCAEMM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001142271432 849435572 /nfs/dbraw/zinc/43/55/72/849435572.db2.gz CMXDZJRNTQTWOX-UHFFFAOYSA-N -1 1 366.447 0.989 10 0 FCAEMM CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1C(C)(C)C ZINC001144036146 849507349 /nfs/dbraw/zinc/50/73/49/849507349.db2.gz XIBJYPHFIFWKTP-AWEZNQCLSA-N -1 1 355.460 0.842 10 0 FCAEMM C[C@@H](NC(=O)c1ncc(Br)cc1[O-])[C@H]1CN(C)CCN1C ZINC001147353077 849579303 /nfs/dbraw/zinc/57/93/03/849579303.db2.gz UMPKPZBVTGPKPV-MWLCHTKSSA-N -1 1 357.252 0.914 10 0 FCAEMM COCCOCCN1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001164168815 850395559 /nfs/dbraw/zinc/39/55/59/850395559.db2.gz YHJCHHLAJWUPAM-UHFFFAOYSA-N -1 1 350.415 0.934 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)o1 ZINC001171782315 850696723 /nfs/dbraw/zinc/69/67/23/850696723.db2.gz OAFYDEPOPYRDCP-SNVBAGLBSA-N -1 1 364.379 0.952 10 0 FCAEMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001176727174 850800384 /nfs/dbraw/zinc/80/03/84/850800384.db2.gz YBIGAPQUQKSKSV-QMMMGPOBSA-N -1 1 356.433 0.124 10 0 FCAEMM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3c(C)[nH]c(=O)[n-]c3=S)CC2)n1 ZINC001178039116 850883839 /nfs/dbraw/zinc/88/38/39/850883839.db2.gz NHPGZPBXCRMWLL-UHFFFAOYSA-N -1 1 362.415 0.546 10 0 FCAEMM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(I)cc1[O-] ZINC001178290789 850893444 /nfs/dbraw/zinc/89/34/44/850893444.db2.gz HCMFLVGKFLEFLU-FJPPDTINSA-N -1 1 363.151 0.611 10 0 FCAEMM NS(=O)(=O)c1cnn(CCC(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001178784787 850930608 /nfs/dbraw/zinc/93/06/08/850930608.db2.gz GUAZFRMINQHCJH-UHFFFAOYSA-N -1 1 374.369 0.263 10 0 FCAEMM C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCS1 ZINC001179761920 850998187 /nfs/dbraw/zinc/99/81/87/850998187.db2.gz DCNIAJXXQPXXQX-RKDXNWHRSA-N -1 1 361.445 0.057 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2([C@@H]3CCCCO3)CCOCC2)n1 ZINC001182525858 851177640 /nfs/dbraw/zinc/17/76/40/851177640.db2.gz UFUKALRQQLCBAR-JTQLQIEISA-N -1 1 358.420 0.513 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2([C@@H]3CCCCO3)CCOCC2)[n-]1 ZINC001182525858 851177650 /nfs/dbraw/zinc/17/76/50/851177650.db2.gz UFUKALRQQLCBAR-JTQLQIEISA-N -1 1 358.420 0.513 10 0 FCAEMM CC(=O)c1ccc(S(=O)(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001193960139 852517210 /nfs/dbraw/zinc/51/72/10/852517210.db2.gz XJOJWLRAPPLYJB-UHFFFAOYSA-N -1 1 363.395 0.936 10 0 FCAEMM CC1(C)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@]1=O ZINC001235542386 857426057 /nfs/dbraw/zinc/42/60/57/857426057.db2.gz CCAAYYSVVLDYHI-RUZDIDTESA-N -1 1 368.459 0.698 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001248410941 857626052 /nfs/dbraw/zinc/62/60/52/857626052.db2.gz JGAGNBQOACLVIB-SNVBAGLBSA-N -1 1 360.823 0.089 10 0 FCAEMM C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001261482011 858563788 /nfs/dbraw/zinc/56/37/88/858563788.db2.gz XZSPFSXWJNNFAE-GYSYKLTISA-N -1 1 369.443 0.704 10 0 FCAEMM O=C(N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001262210190 858820484 /nfs/dbraw/zinc/82/04/84/858820484.db2.gz OUKQPPKJCKLASI-AAVRWANBSA-N -1 1 357.476 0.745 10 0 FCAEMM C([C@@H]1CCCCO1)n1c(-c2nnn[n-]2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001263585201 859180417 /nfs/dbraw/zinc/18/04/17/859180417.db2.gz NIXGWJIBBFXTCW-TUAOUCFPSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@@H]1CCCCO1)n1c(-c2nn[n-]n2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001263585201 859180422 /nfs/dbraw/zinc/18/04/22/859180422.db2.gz NIXGWJIBBFXTCW-TUAOUCFPSA-N -1 1 362.463 0.827 10 0 FCAEMM CN1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CCC1=O ZINC001263742285 859199503 /nfs/dbraw/zinc/19/95/03/859199503.db2.gz NUBHDQPOQCDLAM-UHFFFAOYSA-N -1 1 350.814 0.795 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)C2(C(F)(F)F)CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264708229 859431859 /nfs/dbraw/zinc/43/18/59/859431859.db2.gz KCENKETYAUVNHF-ZJUUUORDSA-N -1 1 361.368 0.920 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001290860472 865532461 /nfs/dbraw/zinc/53/24/61/865532461.db2.gz BJDTZCAFVKXUPG-LBPRGKRZSA-N -1 1 354.428 0.915 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCS(=O)(=O)NCC2CCC2)c1 ZINC001292899096 865760881 /nfs/dbraw/zinc/76/08/81/865760881.db2.gz IQNFZUDPAVVTLD-UHFFFAOYSA-N -1 1 354.428 0.962 10 0 FCAEMM O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001296689083 865984497 /nfs/dbraw/zinc/98/44/97/865984497.db2.gz ZQKVTSORWGELEH-FXQIFTODSA-N -1 1 364.353 0.273 10 0 FCAEMM O=C([N-]CC1CCN(C(=O)c2ccnc3n[nH]nc32)CC1)C(F)(F)F ZINC001297239953 866016483 /nfs/dbraw/zinc/01/64/83/866016483.db2.gz PNVNGOUEQLRUNS-UHFFFAOYSA-N -1 1 356.308 0.884 10 0 FCAEMM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001297260180 866017956 /nfs/dbraw/zinc/01/79/56/866017956.db2.gz KIWXWFGALFSEMU-RYUDHWBXSA-N -1 1 371.459 0.699 10 0 FCAEMM COCC(COC)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001299317974 866168220 /nfs/dbraw/zinc/16/82/20/866168220.db2.gz FAGYXUDNIJENQX-UHFFFAOYSA-N -1 1 356.448 0.323 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)s1 ZINC001349239381 866275117 /nfs/dbraw/zinc/27/51/17/866275117.db2.gz YLKFLOZNEIPSJD-UHFFFAOYSA-N -1 1 359.419 0.328 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)s1 ZINC001349239381 866275125 /nfs/dbraw/zinc/27/51/25/866275125.db2.gz YLKFLOZNEIPSJD-UHFFFAOYSA-N -1 1 359.419 0.328 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCOC[C@H]1c1nn[n-]n1 ZINC001302136619 866310712 /nfs/dbraw/zinc/31/07/12/866310712.db2.gz FKFWBJTYWJFCMF-GUBZILKMSA-N -1 1 365.312 0.084 10 0 FCAEMM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302935977 866365841 /nfs/dbraw/zinc/36/58/41/866365841.db2.gz FZGWDFMELRTFAH-SNVBAGLBSA-N -1 1 359.781 0.523 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(CC1=Nc3ccccc3S(=O)(=O)N1)C2 ZINC001350393926 866582631 /nfs/dbraw/zinc/58/26/31/866582631.db2.gz DOOKKWDNTNUEAT-MEBBXXQBSA-N -1 1 351.384 0.042 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001350843756 866708409 /nfs/dbraw/zinc/70/84/09/866708409.db2.gz CTIJGZJSHJQWNR-LDMBFOFVSA-N -1 1 361.364 0.817 10 0 FCAEMM CC1(CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)OCCO1 ZINC001351172284 866799948 /nfs/dbraw/zinc/79/99/48/866799948.db2.gz JZQOSELGPLAONS-UHFFFAOYSA-N -1 1 358.341 0.598 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)CCOC1 ZINC001351729561 866954324 /nfs/dbraw/zinc/95/43/24/866954324.db2.gz OQUXOECJIFUIPX-SWLSCSKDSA-N -1 1 360.501 0.613 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001357031568 868070019 /nfs/dbraw/zinc/07/00/19/868070019.db2.gz CMDGUYHDWKWONW-OPRDCNLKSA-N -1 1 352.391 0.425 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC001323064114 869045577 /nfs/dbraw/zinc/04/55/77/869045577.db2.gz TUVYMWFVJQYAAB-UHFFFAOYSA-N -1 1 374.488 0.614 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCOC1 ZINC001327572028 870950313 /nfs/dbraw/zinc/95/03/13/870950313.db2.gz FBIBNOVTZAVKIH-CYBMUJFWSA-N -1 1 350.419 0.555 10 0 FCAEMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001328043132 871195484 /nfs/dbraw/zinc/19/54/84/871195484.db2.gz FPEQCPNOIPYXSQ-QWRGUYRKSA-N -1 1 354.407 0.345 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCOCCCO)c1F ZINC001329792955 872261742 /nfs/dbraw/zinc/26/17/42/872261742.db2.gz OACVCBMCTXHJLV-UHFFFAOYSA-N -1 1 353.343 0.429 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)CCOC1 ZINC001348478360 872709025 /nfs/dbraw/zinc/70/90/25/872709025.db2.gz HYNVNUDNDBHQMG-QGZVFWFLSA-N -1 1 352.362 0.621 10 0 FCAEMM C[C@@H]1CCC[C@@H](CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])O1 ZINC001332103139 873373628 /nfs/dbraw/zinc/37/36/28/873373628.db2.gz LFWVNBIJDLFZLF-CABCVRRESA-N -1 1 356.467 0.288 10 0 FCAEMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001332206483 873409282 /nfs/dbraw/zinc/40/92/82/873409282.db2.gz BUZTUWYPLCJNGR-ZDUSSCGKSA-N -1 1 352.435 0.665 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)O1 ZINC001333316518 873905673 /nfs/dbraw/zinc/90/56/73/873905673.db2.gz NTIJBOZQTHUPTL-CVEARBPZSA-N -1 1 354.447 0.970 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)Cc3[nH]nc4ccccc43)CC2)CCOC1 ZINC000886097250 980212190 /nfs/dbraw/zinc/21/21/90/980212190.db2.gz WLXCTACUQYVSGY-SFHVURJKSA-N -1 1 358.398 0.493 10 0 FCAEMM COCCCOc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000294263750 214234747 /nfs/dbraw/zinc/23/47/47/214234747.db2.gz OAINVKCCFHDRQA-ZDUSSCGKSA-N -1 1 361.402 0.928 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CSC(=O)N1 ZINC000265876335 210239894 /nfs/dbraw/zinc/23/98/94/210239894.db2.gz ZVUUGTGYBTVYLV-LLVKDONJSA-N -1 1 371.440 0.940 10 0 FCAEMM CCOCc1nc([C@@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)no1 ZINC000290971567 214006434 /nfs/dbraw/zinc/00/64/34/214006434.db2.gz TVHRKFAINDDYAQ-MRVPVSSYSA-N -1 1 358.376 0.598 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCO[C@H]3CCCC[C@H]32)n1 ZINC000285130245 213289920 /nfs/dbraw/zinc/28/99/20/213289920.db2.gz OHQVHAXDJYQQEW-NEPJUHHUSA-N -1 1 371.415 0.140 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)CO ZINC000930999830 674085582 /nfs/dbraw/zinc/08/55/82/674085582.db2.gz IWUUXMLDKRQFQD-AXFHLTTASA-N -1 1 370.368 0.193 10 0 FCAEMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1 ZINC000284970506 213259308 /nfs/dbraw/zinc/25/93/08/213259308.db2.gz CWZTUZDCFOHVNP-UHFFFAOYSA-N -1 1 371.444 0.781 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282972810 212889689 /nfs/dbraw/zinc/88/96/89/212889689.db2.gz SIQLDZMBXKCBBE-NSHDSACASA-N -1 1 365.415 0.026 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000366709475 216020579 /nfs/dbraw/zinc/02/05/79/216020579.db2.gz JZNVAXBJIHVAGE-UONOGXRCSA-N -1 1 363.466 0.983 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)o1 ZINC000366747587 216026047 /nfs/dbraw/zinc/02/60/47/216026047.db2.gz JNLAWTFLDJSHDN-MKBNYLNASA-N -1 1 372.443 0.986 10 0 FCAEMM O=C(CN1CCOCC1=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369073830 216345093 /nfs/dbraw/zinc/34/50/93/216345093.db2.gz DNXRPJLTAYJITN-CYBMUJFWSA-N -1 1 368.756 0.057 10 0 FCAEMM CC1=C(C(=O)[O-])N[C@H]([C@@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)SC1 ZINC000103544443 209253160 /nfs/dbraw/zinc/25/31/60/209253160.db2.gz JJUQRQMFNIGCFS-JKOKRWQUSA-N -1 1 365.411 0.277 10 0 in-vitro FCAEMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(F)(F)CO)s1 ZINC000276200163 212184055 /nfs/dbraw/zinc/18/40/55/212184055.db2.gz INURLQNMZUXJCW-UHFFFAOYSA-N -1 1 358.388 0.553 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000375890855 217331530 /nfs/dbraw/zinc/33/15/30/217331530.db2.gz MDJYWSIIWGUGHF-CQSZACIVSA-N -1 1 359.430 0.527 10 0 FCAEMM C[C@@H]1CCCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@@H]1C(=O)[O-] ZINC000424269777 247194203 /nfs/dbraw/zinc/19/42/03/247194203.db2.gz XITQYWFWCPGXOH-BZNIZROVSA-N -1 1 371.393 0.970 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1)C(=O)[O-] ZINC000424461819 247226708 /nfs/dbraw/zinc/22/67/08/247226708.db2.gz DGECZYMBGNXZGY-CABCVRRESA-N -1 1 371.478 0.323 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@H]1O ZINC000408092934 217741806 /nfs/dbraw/zinc/74/18/06/217741806.db2.gz ZXDKAYZMTFJKEC-JOYOIKCWSA-N -1 1 366.436 0.589 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c([O-])c1 ZINC000427767990 247544359 /nfs/dbraw/zinc/54/43/59/247544359.db2.gz QURFPKCJMOSXLS-GFCCVEGCSA-N -1 1 353.386 0.884 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000436477573 248042554 /nfs/dbraw/zinc/04/25/54/248042554.db2.gz ILXISDOQTIYTCD-UHFFFAOYSA-N -1 1 363.442 0.900 10 0 FCAEMM O=C(N[C@@H](CO)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000436790932 248051976 /nfs/dbraw/zinc/05/19/76/248051976.db2.gz HTLRHNFUAHXZTI-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443257990 248317405 /nfs/dbraw/zinc/31/74/05/248317405.db2.gz RVWCSGJQTUWJSZ-IUCAKERBSA-N -1 1 354.425 0.492 10 0 FCAEMM COc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1[N-]S(C)(=O)=O ZINC000445693020 248376801 /nfs/dbraw/zinc/37/68/01/248376801.db2.gz SXRAPBFOMCWGIE-UHFFFAOYSA-N -1 1 366.399 0.756 10 0 FCAEMM COc1n[nH]c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000271331230 211380764 /nfs/dbraw/zinc/38/07/64/211380764.db2.gz YZPBQOATXQPBEX-UHFFFAOYSA-N -1 1 357.417 0.912 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)co1 ZINC000270086601 211151027 /nfs/dbraw/zinc/15/10/27/211151027.db2.gz WJPDAGRGDSFJHG-CYBMUJFWSA-N -1 1 363.395 0.723 10 0 FCAEMM O=C(COc1ccccc1)N1CCC(C(=O)NC2(c3nn[n-]n3)CC2)CC1 ZINC000470975921 250083397 /nfs/dbraw/zinc/08/33/97/250083397.db2.gz PQRBNFDNHFRQFV-UHFFFAOYSA-N -1 1 370.413 0.623 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000470987190 250084710 /nfs/dbraw/zinc/08/47/10/250084710.db2.gz SODYBTGRFXVPQB-VIFPVBQESA-N -1 1 368.444 0.220 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1=O ZINC000935037631 674305557 /nfs/dbraw/zinc/30/55/57/674305557.db2.gz XXRSRZSEPRHNOZ-MRVPVSSYSA-N -1 1 367.207 0.681 10 0 FCAEMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000287469012 488872470 /nfs/dbraw/zinc/87/24/70/488872470.db2.gz PPWSGKPOEOPAPQ-VIFPVBQESA-N -1 1 353.755 0.916 10 0 FCAEMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000287469010 488872520 /nfs/dbraw/zinc/87/25/20/488872520.db2.gz PPWSGKPOEOPAPQ-SECBINFHSA-N -1 1 353.755 0.916 10 0 FCAEMM CCn1nccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1CN(C)C ZINC000278531950 488880174 /nfs/dbraw/zinc/88/01/74/488880174.db2.gz VIUHJRGFSAWDQS-UHFFFAOYSA-N -1 1 351.432 0.864 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000328650616 488926720 /nfs/dbraw/zinc/92/67/20/488926720.db2.gz VOQXRCOBMYYGEY-LBPRGKRZSA-N -1 1 373.461 1.132 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(c3ccccn3)CC2)co1 ZINC000186376329 488406207 /nfs/dbraw/zinc/40/62/07/488406207.db2.gz FKBPHPIMTXDSCM-UHFFFAOYSA-N -1 1 364.427 0.935 10 0 FCAEMM CCCN(C)S(=O)(=O)NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000269316046 488491067 /nfs/dbraw/zinc/49/10/67/488491067.db2.gz ZKOBYIQPNFCBKK-UHFFFAOYSA-N -1 1 357.440 0.790 10 0 FCAEMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000119489780 488557226 /nfs/dbraw/zinc/55/72/26/488557226.db2.gz HDNACCIEPYVWTO-JTQLQIEISA-N -1 1 355.391 0.571 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCNC(=O)OC(C)(C)C)o1 ZINC000264114161 488648460 /nfs/dbraw/zinc/64/84/60/488648460.db2.gz WAAVFCBRUVQJSL-UHFFFAOYSA-N -1 1 361.420 0.832 10 0 FCAEMM O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000135574521 488674118 /nfs/dbraw/zinc/67/41/18/488674118.db2.gz XOERWBHAWROIGH-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000137570495 488681310 /nfs/dbraw/zinc/68/13/10/488681310.db2.gz YTUQENRLWCZZIR-GXTWGEPZSA-N -1 1 359.430 0.732 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1C ZINC000274870872 488739367 /nfs/dbraw/zinc/73/93/67/488739367.db2.gz AMSSNFARJNGMBP-ZDUSSCGKSA-N -1 1 367.383 0.479 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000274922873 488744187 /nfs/dbraw/zinc/74/41/87/488744187.db2.gz BKXDZDIDZNYZHE-CYBMUJFWSA-N -1 1 368.415 0.074 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])oc1C ZINC000274925534 488744537 /nfs/dbraw/zinc/74/45/37/488744537.db2.gz BZGCQEYSRRSRFQ-LBPRGKRZSA-N -1 1 374.415 0.592 10 0 FCAEMM CCOc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cn1 ZINC000274953898 488747880 /nfs/dbraw/zinc/74/78/80/488747880.db2.gz IJIUXPBLKKWBNI-CYBMUJFWSA-N -1 1 357.432 0.698 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000274989493 488751026 /nfs/dbraw/zinc/75/10/26/488751026.db2.gz YVORNRXNIUJGMG-JTQLQIEISA-N -1 1 373.362 0.540 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275011772 488753162 /nfs/dbraw/zinc/75/31/62/488753162.db2.gz QBHDDESFIMPHMG-CQSZACIVSA-N -1 1 354.428 0.839 10 0 FCAEMM Cc1sc2ncn(CC(=O)N3CCC[C@H](c4nn[n-]n4)C3)c(=O)c2c1C ZINC000155506653 488756160 /nfs/dbraw/zinc/75/61/60/488756160.db2.gz PLFNVNVBZPSCLJ-NSHDSACASA-N -1 1 373.442 0.994 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172752492 488837301 /nfs/dbraw/zinc/83/73/01/488837301.db2.gz SWRPRVOPDOHIBF-AWEZNQCLSA-N -1 1 359.430 0.115 10 0 FCAEMM Cc1nnc([C@H]2CN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CCO2)[nH]1 ZINC000173600638 488843966 /nfs/dbraw/zinc/84/39/66/488843966.db2.gz RENUMXRDCPJPBP-CYBMUJFWSA-N -1 1 371.401 0.209 10 0 FCAEMM Cc1nc([C@H]2CN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CCO2)n[nH]1 ZINC000173600638 488843968 /nfs/dbraw/zinc/84/39/68/488843968.db2.gz RENUMXRDCPJPBP-CYBMUJFWSA-N -1 1 371.401 0.209 10 0 FCAEMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3c(C)onc3N)C2)n(C)n1 ZINC000289927449 489103224 /nfs/dbraw/zinc/10/32/24/489103224.db2.gz RANOPBNCRKQDJY-NSHDSACASA-N -1 1 354.436 0.554 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)[C@H]1CCOC1 ZINC000656956500 492678769 /nfs/dbraw/zinc/67/87/69/492678769.db2.gz INOSOYORTBTMLL-YUMQZZPRSA-N -1 1 359.326 0.559 10 0 FCAEMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCN1CCO ZINC000331176406 489181830 /nfs/dbraw/zinc/18/18/30/489181830.db2.gz QDZUQSQYNUFLNF-LBPRGKRZSA-N -1 1 373.475 0.495 10 0 FCAEMM CN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)cc2C1=O ZINC000282939943 489200763 /nfs/dbraw/zinc/20/07/63/489200763.db2.gz POPQSMGEEBJIJM-JTQLQIEISA-N -1 1 355.354 0.344 10 0 FCAEMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)cn1 ZINC000349862267 489332203 /nfs/dbraw/zinc/33/22/03/489332203.db2.gz YFBRGNQDGOPWFV-UHFFFAOYSA-N -1 1 350.360 0.352 10 0 FCAEMM COc1ccc(CN2CCCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)cc1 ZINC000370234869 489332445 /nfs/dbraw/zinc/33/24/45/489332445.db2.gz BIZMOADPRNEBDS-UHFFFAOYSA-N -1 1 372.425 0.843 10 0 FCAEMM COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1C ZINC000298572816 489339186 /nfs/dbraw/zinc/33/91/86/489339186.db2.gz QMKBZSXZCHPMDO-NSHDSACASA-N -1 1 361.402 0.892 10 0 FCAEMM COc1cccc(-n2cc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)nn2)c1 ZINC000298842687 489372572 /nfs/dbraw/zinc/37/25/72/489372572.db2.gz DQYRLPZHQTZXHE-NSHDSACASA-N -1 1 369.385 0.707 10 0 FCAEMM CCOC(=O)CC1(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)CC1 ZINC000451351797 489500395 /nfs/dbraw/zinc/50/03/95/489500395.db2.gz JVQWLBIWEPWYRX-ZDUSSCGKSA-N -1 1 351.446 0.440 10 0 FCAEMM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085808 489543082 /nfs/dbraw/zinc/54/30/82/489543082.db2.gz ANKHWNNTHMCNJZ-JTQLQIEISA-N -1 1 371.401 1.002 10 0 FCAEMM COCCc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)n(C)n1 ZINC000427205190 489597647 /nfs/dbraw/zinc/59/76/47/489597647.db2.gz OGGMBWDAPFTMKL-UHFFFAOYSA-N -1 1 358.358 0.919 10 0 FCAEMM Cc1cnc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c([O-])c1 ZINC000427775466 489620423 /nfs/dbraw/zinc/62/04/23/489620423.db2.gz UJOWDVDODXCBGU-AWEZNQCLSA-N -1 1 370.409 0.428 10 0 FCAEMM C[C@@]1(O)C[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000416662171 489623494 /nfs/dbraw/zinc/62/34/94/489623494.db2.gz KKGJCUKDWMHFRG-WVSHTKLVSA-N -1 1 352.409 0.389 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)C(=O)c3ccc([O-])cc3)[C@H](C)C2)[nH]n1 ZINC000457267875 489642901 /nfs/dbraw/zinc/64/29/01/489642901.db2.gz VWNYEDZIWBSOFH-GFCCVEGCSA-N -1 1 356.382 0.980 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)C(=O)c3ccc([O-])cc3)[C@H](C)C2)n[nH]1 ZINC000457267875 489642904 /nfs/dbraw/zinc/64/29/04/489642904.db2.gz VWNYEDZIWBSOFH-GFCCVEGCSA-N -1 1 356.382 0.980 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccccc2CN2CCOCC2)n1 ZINC000488976998 489689100 /nfs/dbraw/zinc/68/91/00/489689100.db2.gz FVQGSZYPNWNEEU-UHFFFAOYSA-N -1 1 365.415 0.293 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccccc2CN2CCOCC2)[n-]1 ZINC000488976998 489689105 /nfs/dbraw/zinc/68/91/05/489689105.db2.gz FVQGSZYPNWNEEU-UHFFFAOYSA-N -1 1 365.415 0.293 10 0 FCAEMM CC[C@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000469678818 489719922 /nfs/dbraw/zinc/71/99/22/489719922.db2.gz CYBIRDIXHYXVEW-NSHDSACASA-N -1 1 357.432 0.838 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)[n-]1 ZINC000474440975 489762537 /nfs/dbraw/zinc/76/25/37/489762537.db2.gz WRNYPDGMGPVSMY-ZDUSSCGKSA-N -1 1 364.427 0.919 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)n[n-]1 ZINC000474440975 489762542 /nfs/dbraw/zinc/76/25/42/489762542.db2.gz WRNYPDGMGPVSMY-ZDUSSCGKSA-N -1 1 364.427 0.919 10 0 FCAEMM CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1nnc(COC)[n-]1 ZINC000474448788 489763107 /nfs/dbraw/zinc/76/31/07/489763107.db2.gz GHKVQLMYFLZHMH-UHFFFAOYSA-N -1 1 352.416 0.774 10 0 FCAEMM CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1n[n-]c(COC)n1 ZINC000474448788 489763109 /nfs/dbraw/zinc/76/31/09/489763109.db2.gz GHKVQLMYFLZHMH-UHFFFAOYSA-N -1 1 352.416 0.774 10 0 FCAEMM C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432310352 489837476 /nfs/dbraw/zinc/83/74/76/489837476.db2.gz AMLGHUOLCNHEDU-SKDRFNHKSA-N -1 1 366.436 0.901 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000377143568 489857886 /nfs/dbraw/zinc/85/78/86/489857886.db2.gz VUJPVZVMHPFTCN-GFCCVEGCSA-N -1 1 356.448 0.437 10 0 FCAEMM O=C(Cc1csc(NC(=O)c2ccco2)n1)NC1(c2nn[n-]n2)CC1 ZINC000477019750 489931610 /nfs/dbraw/zinc/93/16/10/489931610.db2.gz NCGIKPMROJZBIB-UHFFFAOYSA-N -1 1 359.371 0.850 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000477037842 489934611 /nfs/dbraw/zinc/93/46/11/489934611.db2.gz XJKIZUZKQTUEFK-UHFFFAOYSA-N -1 1 362.415 0.307 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000377651727 489936968 /nfs/dbraw/zinc/93/69/68/489936968.db2.gz DSLXFEJDPCTJCV-LLVKDONJSA-N -1 1 364.427 0.798 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000377651727 489936970 /nfs/dbraw/zinc/93/69/70/489936970.db2.gz DSLXFEJDPCTJCV-LLVKDONJSA-N -1 1 364.427 0.798 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000477373104 489960589 /nfs/dbraw/zinc/96/05/89/489960589.db2.gz LXLQTXULDYFQTO-LLVKDONJSA-N -1 1 358.354 0.822 10 0 FCAEMM CCC(CC)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCOCC1 ZINC000435136347 489983760 /nfs/dbraw/zinc/98/37/60/489983760.db2.gz AYIOOCGEXHKSOD-CQSZACIVSA-N -1 1 352.435 0.353 10 0 FCAEMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)OC ZINC000463689529 490025156 /nfs/dbraw/zinc/02/51/56/490025156.db2.gz OVFNLCYEUIESFY-SECBINFHSA-N -1 1 353.755 0.862 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)n1 ZINC000439149590 490038758 /nfs/dbraw/zinc/03/87/58/490038758.db2.gz CEBLLOLURYUBPU-UHFFFAOYSA-N -1 1 363.399 0.738 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)[n-]1 ZINC000439149590 490038762 /nfs/dbraw/zinc/03/87/62/490038762.db2.gz CEBLLOLURYUBPU-UHFFFAOYSA-N -1 1 363.399 0.738 10 0 FCAEMM O=C(CNC(=O)N1CCc2ccccc2C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793263 490117083 /nfs/dbraw/zinc/11/70/83/490117083.db2.gz GLYHIONPZIQPKG-HNNXBMFYSA-N -1 1 369.429 0.674 10 0 FCAEMM O=C([O-])Cn1cc(CNS(=O)(=O)c2c(F)cc(F)cc2F)nn1 ZINC000391349373 490141831 /nfs/dbraw/zinc/14/18/31/490141831.db2.gz RQGATIWHWCNOSP-UHFFFAOYSA-N -1 1 350.278 0.259 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407998466 490197981 /nfs/dbraw/zinc/19/79/81/490197981.db2.gz QOHNFXXTWICQRM-VXGBXAGGSA-N -1 1 372.447 0.685 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cnc2n1 ZINC000408183203 490267765 /nfs/dbraw/zinc/26/77/65/490267765.db2.gz PFUSTVSDUGBQCR-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c2=O ZINC000408183203 490267772 /nfs/dbraw/zinc/26/77/72/490267772.db2.gz PFUSTVSDUGBQCR-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)NC)c2)co1 ZINC000533714574 490277256 /nfs/dbraw/zinc/27/72/56/490277256.db2.gz LLEUFCSIALIZOJ-UHFFFAOYSA-N -1 1 373.412 0.348 10 0 FCAEMM O=C(CNC(=O)c1cc(F)cc(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000547424420 490290486 /nfs/dbraw/zinc/29/04/86/490290486.db2.gz CKLVLHMMHMGXCC-UHFFFAOYSA-N -1 1 350.329 0.793 10 0 FCAEMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1C ZINC000534025314 490310324 /nfs/dbraw/zinc/31/03/24/490310324.db2.gz UOZJWMUGVFKJQI-UHFFFAOYSA-N -1 1 372.428 0.481 10 0 FCAEMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1C ZINC000534025314 490310326 /nfs/dbraw/zinc/31/03/26/490310326.db2.gz UOZJWMUGVFKJQI-UHFFFAOYSA-N -1 1 372.428 0.481 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000468051026 490357178 /nfs/dbraw/zinc/35/71/78/490357178.db2.gz SLSSRUIGBXKBHD-VXGBXAGGSA-N -1 1 363.395 0.329 10 0 FCAEMM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000547910590 490384882 /nfs/dbraw/zinc/38/48/82/490384882.db2.gz CGJHIMBTFQOWDH-QWHCGFSZSA-N -1 1 362.448 0.140 10 0 FCAEMM CO[C@H](C)c1nc(=NCCS(=O)(=O)NC[C@H]2CCCCO2)s[n-]1 ZINC000509751660 490461117 /nfs/dbraw/zinc/46/11/17/490461117.db2.gz OUFUJJRVNDQXJR-GHMZBOCLSA-N -1 1 364.493 0.568 10 0 FCAEMM CC1CCC(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC000422817490 490481029 /nfs/dbraw/zinc/48/10/29/490481029.db2.gz DHFYYTVRANGQKM-SHARSMKWSA-N -1 1 351.447 0.642 10 0 FCAEMM CN1CCc2ccc(S(=O)(=O)N[C@H](CN3CCCCC3)C(=O)[O-])cc21 ZINC000548540530 490502019 /nfs/dbraw/zinc/50/20/19/490502019.db2.gz RFIHTGJDRJSZMG-OAHLLOKOSA-N -1 1 367.471 0.896 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC(CS(N)(=O)=O)CC3)cnc2n1 ZINC000524462700 490538685 /nfs/dbraw/zinc/53/86/85/490538685.db2.gz AKDDEUUHSZXZOS-UHFFFAOYSA-N -1 1 364.427 0.785 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(CS(N)(=O)=O)CC1)c2=O ZINC000524462700 490538687 /nfs/dbraw/zinc/53/86/87/490538687.db2.gz AKDDEUUHSZXZOS-UHFFFAOYSA-N -1 1 364.427 0.785 10 0 FCAEMM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000524856326 490564219 /nfs/dbraw/zinc/56/42/19/490564219.db2.gz RXHGTPIOGHYALP-ZDUSSCGKSA-N -1 1 355.416 0.213 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(CCn4cncn4)CC3)cnc2n1 ZINC000524871236 490566244 /nfs/dbraw/zinc/56/62/44/490566244.db2.gz PFMGMQDKDWGJTR-UHFFFAOYSA-N -1 1 367.413 0.693 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(CCn4cncn4)CC3)c[n-]c2n1 ZINC000524871236 490566246 /nfs/dbraw/zinc/56/62/46/490566246.db2.gz PFMGMQDKDWGJTR-UHFFFAOYSA-N -1 1 367.413 0.693 10 0 FCAEMM O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537124515 490650587 /nfs/dbraw/zinc/65/05/87/490650587.db2.gz UYKHBEIUNBJDSD-SECBINFHSA-N -1 1 359.781 0.849 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000512603271 490689886 /nfs/dbraw/zinc/68/98/86/490689886.db2.gz VRLVAOWYQZRSEV-SSDOTTSWSA-N -1 1 355.342 0.421 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[n-]1 ZINC000512603271 490689892 /nfs/dbraw/zinc/68/98/92/490689892.db2.gz VRLVAOWYQZRSEV-SSDOTTSWSA-N -1 1 355.342 0.421 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2cc(F)cc3c2OCOC3)n1 ZINC000512664678 490691466 /nfs/dbraw/zinc/69/14/66/490691466.db2.gz GHYGYULNYLYZOW-UHFFFAOYSA-N -1 1 356.335 0.395 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2cc(F)cc3c2OCOC3)[n-]1 ZINC000512664678 490691468 /nfs/dbraw/zinc/69/14/68/490691468.db2.gz GHYGYULNYLYZOW-UHFFFAOYSA-N -1 1 356.335 0.395 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)cc1[N-]S(C)(=O)=O ZINC000538098591 490710639 /nfs/dbraw/zinc/71/06/39/490710639.db2.gz JDVJKVBEDOLUKE-UWVGGRQHSA-N -1 1 373.431 0.138 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC[C@H](c3nn[n-]n3)C1)C2=O ZINC000538222772 490720305 /nfs/dbraw/zinc/72/03/05/490720305.db2.gz AQENCHRFXVENHM-RYUDHWBXSA-N -1 1 368.397 0.899 10 0 FCAEMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000538849464 490753825 /nfs/dbraw/zinc/75/38/25/490753825.db2.gz DKVRLIINSZFUDJ-JTQLQIEISA-N -1 1 350.400 0.077 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000528599857 490811278 /nfs/dbraw/zinc/81/12/78/490811278.db2.gz MOKAVEKXUIKOEV-UHFFFAOYSA-N -1 1 370.413 0.871 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000529732574 490867917 /nfs/dbraw/zinc/86/79/17/490867917.db2.gz BWYOWPLBFFKOGF-JTQLQIEISA-N -1 1 372.219 0.925 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000529742399 490870833 /nfs/dbraw/zinc/87/08/33/490870833.db2.gz VMDBBDFMTNXPMC-SNVBAGLBSA-N -1 1 372.219 0.925 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)C(=O)N2CCCC2)o1 ZINC000530086522 490887905 /nfs/dbraw/zinc/88/79/05/490887905.db2.gz VLPMWQSRTJVZQA-UHFFFAOYSA-N -1 1 357.432 0.566 10 0 FCAEMM C[C@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000543099747 490922243 /nfs/dbraw/zinc/92/22/43/490922243.db2.gz LNMUSZLFLLKPFO-JTQLQIEISA-N -1 1 363.395 0.760 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000543612473 490938593 /nfs/dbraw/zinc/93/85/93/490938593.db2.gz XTWRSQMRFJBULN-OAHLLOKOSA-N -1 1 369.425 0.226 10 0 FCAEMM Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c(C)c1OCC(=O)[O-] ZINC000544934460 490986198 /nfs/dbraw/zinc/98/61/98/490986198.db2.gz PJEZYQUGZZPUJE-SNVBAGLBSA-N -1 1 354.388 0.924 10 0 FCAEMM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000613249050 491974440 /nfs/dbraw/zinc/97/44/40/491974440.db2.gz ABFOWYJREDFXAT-SECBINFHSA-N -1 1 368.394 0.360 10 0 FCAEMM COc1ccc(NC(=O)[C@]2(C)CCC(=O)NC2)cc1[N-]S(C)(=O)=O ZINC000565514943 491381268 /nfs/dbraw/zinc/38/12/68/491381268.db2.gz DOTKPJCENLNWAL-OAHLLOKOSA-N -1 1 355.416 0.922 10 0 FCAEMM CC(C)(O)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000576531518 491622798 /nfs/dbraw/zinc/62/27/98/491622798.db2.gz GBCFCUZDEBYDDK-UHFFFAOYSA-N -1 1 372.443 0.903 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000577703093 491644030 /nfs/dbraw/zinc/64/40/30/491644030.db2.gz HAFOLXXPYSUJNG-UHFFFAOYSA-N -1 1 361.420 0.929 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000577703093 491644034 /nfs/dbraw/zinc/64/40/34/491644034.db2.gz HAFOLXXPYSUJNG-UHFFFAOYSA-N -1 1 361.420 0.929 10 0 FCAEMM Cc1cnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)[n-]c1=O ZINC000579005780 491688886 /nfs/dbraw/zinc/68/88/86/491688886.db2.gz KEKIFPSJVGJIRR-UHFFFAOYSA-N -1 1 362.415 0.420 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C[N@H+]1CCO ZINC000582475123 491813892 /nfs/dbraw/zinc/81/38/92/491813892.db2.gz GQTZIYMHEHGASP-QHRIQVFBSA-N -1 1 374.441 0.268 10 0 FCAEMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)C[C@@H](C)O1 ZINC000582645625 491821048 /nfs/dbraw/zinc/82/10/48/491821048.db2.gz DRUFGUDKDHAAOZ-VXGBXAGGSA-N -1 1 364.427 0.881 10 0 FCAEMM C[C@@H]1CN(C(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000582645625 491821049 /nfs/dbraw/zinc/82/10/49/491821049.db2.gz DRUFGUDKDHAAOZ-VXGBXAGGSA-N -1 1 364.427 0.881 10 0 FCAEMM C[C@H]1CN(C(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)C[C@H](C)O1 ZINC000582645623 491821058 /nfs/dbraw/zinc/82/10/58/491821058.db2.gz DRUFGUDKDHAAOZ-RYUDHWBXSA-N -1 1 364.427 0.881 10 0 FCAEMM C[C@H]1CN(C(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000582645623 491821059 /nfs/dbraw/zinc/82/10/59/491821059.db2.gz DRUFGUDKDHAAOZ-RYUDHWBXSA-N -1 1 364.427 0.881 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)c1ccnn1C ZINC000592099907 491832473 /nfs/dbraw/zinc/83/24/73/491832473.db2.gz ZTILBSYBVDTLTG-INIZCTEOSA-N -1 1 363.439 0.969 10 0 FCAEMM COC(=O)Cc1nnc([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)[nH]1 ZINC000600666993 491874395 /nfs/dbraw/zinc/87/43/95/491874395.db2.gz PCQXRAGFGVONIZ-LLVKDONJSA-N -1 1 372.378 0.789 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC)CC1=O ZINC000601284586 491901871 /nfs/dbraw/zinc/90/18/71/491901871.db2.gz KTGTXYIHSUUMOW-KGLIPLIRSA-N -1 1 354.428 0.311 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@H](C(=O)OC)c2ccc(F)c(C)c2)CC1=O ZINC000601394889 491912730 /nfs/dbraw/zinc/91/27/30/491912730.db2.gz YLMWRIGCLOZWEW-WFASDCNBSA-N -1 1 372.418 0.888 10 0 FCAEMM COC(=O)[C@@H]1CSCCN(S(=O)(=O)c2cc(OC)ccc2[O-])C1 ZINC000601441596 491920186 /nfs/dbraw/zinc/92/01/86/491920186.db2.gz KLNIXPHHRAIBER-JTQLQIEISA-N -1 1 361.441 0.928 10 0 FCAEMM CN1C[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)NC1=O ZINC000613553916 491985708 /nfs/dbraw/zinc/98/57/08/491985708.db2.gz ATKBACQKCRBXQA-UWVGGRQHSA-N -1 1 353.745 0.221 10 0 FCAEMM Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614474437 492032115 /nfs/dbraw/zinc/03/21/15/492032115.db2.gz UOGLAHRRXMXULA-UHFFFAOYSA-N -1 1 372.428 0.812 10 0 FCAEMM O=C(NC[C@H]1CN2CCN1CCC2)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000614506029 492034288 /nfs/dbraw/zinc/03/42/88/492034288.db2.gz DJQYXCCBXFXYLB-HNNXBMFYSA-N -1 1 359.405 0.837 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)n1 ZINC000597573607 492048476 /nfs/dbraw/zinc/04/84/76/492048476.db2.gz GKESGCARYJFPBQ-CHWSQXEVSA-N -1 1 366.418 0.739 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc3n2CCOC3)c1 ZINC000615055469 492070529 /nfs/dbraw/zinc/07/05/29/492070529.db2.gz ZPEPFUOUACXASD-UHFFFAOYSA-N -1 1 352.372 0.279 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)co1 ZINC000598162719 492086788 /nfs/dbraw/zinc/08/67/88/492086788.db2.gz OSULEOYINMSUMG-HNNXBMFYSA-N -1 1 374.415 0.418 10 0 FCAEMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381854 492093422 /nfs/dbraw/zinc/09/34/22/492093422.db2.gz BJRVSJICBGHBFV-UHFFFAOYSA-N -1 1 369.385 0.591 10 0 FCAEMM NC(=O)c1cn(CC(=O)NC2(c3nn[n-]n3)CCCC2)c2ccccc12 ZINC000605530656 492097607 /nfs/dbraw/zinc/09/76/07/492097607.db2.gz OFNGWKXHLDVIEP-UHFFFAOYSA-N -1 1 353.386 0.839 10 0 FCAEMM CCn1c2ccc(C(=O)NC3(c4nn[n-]n4)CCCC3)cc2[nH]c(=O)c1=O ZINC000605530944 492097940 /nfs/dbraw/zinc/09/79/40/492097940.db2.gz FDWUDLHMIRXNLG-UHFFFAOYSA-N -1 1 369.385 0.422 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN(C)C(=O)c2cccs2)n[n-]1 ZINC000615920267 492107821 /nfs/dbraw/zinc/10/78/21/492107821.db2.gz QIDHHDMPYHELLE-UHFFFAOYSA-N -1 1 351.388 0.431 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN(C)C(=O)c2cccs2)n1 ZINC000615920267 492107823 /nfs/dbraw/zinc/10/78/23/492107823.db2.gz QIDHHDMPYHELLE-UHFFFAOYSA-N -1 1 351.388 0.431 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)n[n-]1 ZINC000616029952 492115285 /nfs/dbraw/zinc/11/52/85/492115285.db2.gz NZZHGUCKUMETIS-NSHDSACASA-N -1 1 351.407 0.635 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)n1 ZINC000616029952 492115288 /nfs/dbraw/zinc/11/52/88/492115288.db2.gz NZZHGUCKUMETIS-NSHDSACASA-N -1 1 351.407 0.635 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)o1 ZINC000616556750 492137072 /nfs/dbraw/zinc/13/70/72/492137072.db2.gz HQUVXUKDSUEUQJ-LLVKDONJSA-N -1 1 365.411 0.694 10 0 FCAEMM O=C(c1nn(-c2ccc(F)cc2F)cc1[O-])N1CCN2C[C@H](O)C[C@H]2C1 ZINC000616703054 492138950 /nfs/dbraw/zinc/13/89/50/492138950.db2.gz NZABYHMPAYLXOJ-NWDGAFQWSA-N -1 1 364.352 0.747 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000616910860 492148246 /nfs/dbraw/zinc/14/82/46/492148246.db2.gz VQBQLTXRIHXJHS-ZDUSSCGKSA-N -1 1 367.402 0.584 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](COC)[C@H]2CCCO2)on1 ZINC000599293559 492156008 /nfs/dbraw/zinc/15/60/08/492156008.db2.gz ZHOYLKHIMIVYKQ-QWHCGFSZSA-N -1 1 362.404 0.465 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@](C)(CO)OC)c1F ZINC000599336409 492162022 /nfs/dbraw/zinc/16/20/22/492162022.db2.gz JSQOSPHBZBALQK-CYBMUJFWSA-N -1 1 353.343 0.427 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)no1 ZINC000608050704 492164652 /nfs/dbraw/zinc/16/46/52/492164652.db2.gz OERNVRVGBGGXPC-TVQRCGJNSA-N -1 1 353.404 0.330 10 0 FCAEMM CSCC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(N)=O ZINC000599405612 492168880 /nfs/dbraw/zinc/16/88/80/492168880.db2.gz WMXSISIDFREXDB-QMMMGPOBSA-N -1 1 368.278 0.729 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CCCCC1 ZINC000600407148 492267733 /nfs/dbraw/zinc/26/77/33/492267733.db2.gz OTISQUWTPSILCK-JTQLQIEISA-N -1 1 353.375 0.996 10 0 FCAEMM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCCCC1 ZINC000620370216 492305090 /nfs/dbraw/zinc/30/50/90/492305090.db2.gz HRQZUZYCPFFUMP-NSHDSACASA-N -1 1 371.459 0.989 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)o1 ZINC000620788236 492336324 /nfs/dbraw/zinc/33/63/24/492336324.db2.gz LQCVLZRQHZWSKC-MRVPVSSYSA-N -1 1 356.322 0.981 10 0 FCAEMM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585084 492325452 /nfs/dbraw/zinc/32/54/52/492325452.db2.gz BPKOXLJESMUCGY-QMCVQRASSA-N -1 1 373.453 0.993 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)o1 ZINC000627739066 492370694 /nfs/dbraw/zinc/37/06/94/492370694.db2.gz VROCSZNFVBOSSQ-UHFFFAOYSA-N -1 1 371.459 0.515 10 0 FCAEMM CN1C(=O)CO[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@H]1c1cccnc1 ZINC000621443739 492383858 /nfs/dbraw/zinc/38/38/58/492383858.db2.gz RFRGMMYEMOBXJY-ZJUUUORDSA-N -1 1 370.291 0.756 10 0 FCAEMM COCCOc1ccc(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1 ZINC000622870155 492491778 /nfs/dbraw/zinc/49/17/78/492491778.db2.gz SHPFUBYVSZJZDA-UHFFFAOYSA-N -1 1 357.370 0.932 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)CN3CCN(C4CC4)C3=O)nc2n1 ZINC000622998999 492498464 /nfs/dbraw/zinc/49/84/64/492498464.db2.gz ZFSWQSOAFCXIOZ-UHFFFAOYSA-N -1 1 359.390 0.209 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3c4n(c(=O)n3C)CCCC4)nc2n1 ZINC000622997932 492498824 /nfs/dbraw/zinc/49/88/24/492498824.db2.gz QRWASNKVYJACOT-UHFFFAOYSA-N -1 1 371.401 0.459 10 0 FCAEMM CCN1CCN(CCC(=O)N=c2nc(C3CCOCC3)[n-]s2)CC1 ZINC000629100765 492578206 /nfs/dbraw/zinc/57/82/06/492578206.db2.gz LYNAELGIVJWGNO-UHFFFAOYSA-N -1 1 353.492 0.820 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)nc2n1 ZINC000643909092 492600338 /nfs/dbraw/zinc/60/03/38/492600338.db2.gz FBOVVWSUOLBLNO-SECBINFHSA-N -1 1 358.324 0.939 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(NC(=O)C4CC4)cc3)nc2n1 ZINC000643909634 492601524 /nfs/dbraw/zinc/60/15/24/492601524.db2.gz VXYDCSGWQFVXQE-UHFFFAOYSA-N -1 1 352.354 0.749 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)o1 ZINC000629403462 492622196 /nfs/dbraw/zinc/62/21/96/492622196.db2.gz WDGMGSIFWIFSMZ-SNVBAGLBSA-N -1 1 373.431 0.073 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000629565896 492645349 /nfs/dbraw/zinc/64/53/49/492645349.db2.gz ICFFANGETNCHTF-GFCCVEGCSA-N -1 1 365.411 0.331 10 0 FCAEMM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000629578318 492655220 /nfs/dbraw/zinc/65/52/20/492655220.db2.gz XJIQXSAXHYDJBU-AWEZNQCLSA-N -1 1 364.423 0.936 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1ncccc1Br ZINC000656910278 492666453 /nfs/dbraw/zinc/66/64/53/492666453.db2.gz XFWDCBZPJHCVHC-SNVBAGLBSA-N -1 1 365.249 0.910 10 0 FCAEMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ncccc1Br ZINC000656935759 492672863 /nfs/dbraw/zinc/67/28/63/492672863.db2.gz SXQDWTCRZALHKA-MRVPVSSYSA-N -1 1 371.278 0.946 10 0 FCAEMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656943808 492675293 /nfs/dbraw/zinc/67/52/93/492675293.db2.gz LWJLMCAHUZBBDT-QMMMGPOBSA-N -1 1 371.278 0.946 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O)[C@@H]1CCOC1 ZINC000656957231 492678540 /nfs/dbraw/zinc/67/85/40/492678540.db2.gz OYSCLZSKGPSMGS-VHDGCEQUSA-N -1 1 354.428 0.373 10 0 FCAEMM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1ncccc1Br ZINC000656961659 492679592 /nfs/dbraw/zinc/67/95/92/492679592.db2.gz OCSKOQCYQKSUGY-UHFFFAOYSA-N -1 1 373.236 0.719 10 0 FCAEMM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656970948 492683072 /nfs/dbraw/zinc/68/30/72/492683072.db2.gz UMUACOFOVYBGMY-MRVPVSSYSA-N -1 1 350.238 0.989 10 0 FCAEMM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656998758 492690520 /nfs/dbraw/zinc/69/05/20/492690520.db2.gz BSZLKGOIFZFSSW-NSHDSACASA-N -1 1 353.238 0.910 10 0 FCAEMM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656996602 492690551 /nfs/dbraw/zinc/69/05/51/492690551.db2.gz CDNVPVIKSVLAPE-UHFFFAOYSA-N -1 1 372.266 0.191 10 0 FCAEMM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000657017466 492695494 /nfs/dbraw/zinc/69/54/94/492695494.db2.gz JKANUYJTGNIJFW-UHFFFAOYSA-N -1 1 371.278 0.947 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@H]1CCOC1 ZINC000657046023 492703603 /nfs/dbraw/zinc/70/36/03/492703603.db2.gz XTAPUDXNJGIEOF-DTWKUNHWSA-N -1 1 357.354 0.769 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CCOCC1 ZINC000625120970 492727200 /nfs/dbraw/zinc/72/72/00/492727200.db2.gz MSOZHSUXHROBHW-OAHLLOKOSA-N -1 1 368.455 0.907 10 0 FCAEMM N=c1nc(N2CCN(C(=O)N[C@H](C3CC3)C3CCOCC3)CC2)s[n-]1 ZINC000651247793 492728162 /nfs/dbraw/zinc/72/81/62/492728162.db2.gz DETHFIQXGPOKTN-CYBMUJFWSA-N -1 1 366.491 0.987 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H](COC)[C@H]2CCCO2)CCOCC1 ZINC000625168769 492733598 /nfs/dbraw/zinc/73/35/98/492733598.db2.gz ZBYHNCLGVZRUEW-ZIAGYGMSSA-N -1 1 351.465 0.686 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H](COC)[C@H]2CCCO2)CCOCC1 ZINC000625168765 492733825 /nfs/dbraw/zinc/73/38/25/492733825.db2.gz ZBYHNCLGVZRUEW-UONOGXRCSA-N -1 1 351.465 0.686 10 0 FCAEMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000651561251 492782677 /nfs/dbraw/zinc/78/26/77/492782677.db2.gz DWIGCXHFBOWGDP-NSHDSACASA-N -1 1 352.439 0.616 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000651979229 492857223 /nfs/dbraw/zinc/85/72/23/492857223.db2.gz DCAWYBSBGZOFBW-GFCCVEGCSA-N -1 1 370.417 0.499 10 0 FCAEMM N=c1nc(N2CCN(C(=O)C(=O)N3CCC34CCCC4)CC2)s[n-]1 ZINC000652501893 492953328 /nfs/dbraw/zinc/95/33/28/492953328.db2.gz ZFMKKBNTKDJQFI-UHFFFAOYSA-N -1 1 350.448 0.144 10 0 FCAEMM CN1CCO[C@@H]([C@@H](NC(=O)CCc2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000632223717 492953425 /nfs/dbraw/zinc/95/34/25/492953425.db2.gz RGVACWAJGUMUOT-CJNGLKHVSA-N -1 1 364.837 0.974 10 0 FCAEMM O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cc(=O)[nH]cn1 ZINC000626322703 492963169 /nfs/dbraw/zinc/96/31/69/492963169.db2.gz DONWJKBGKXHLLN-GJZGRUSLSA-N -1 1 367.409 0.511 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)c1 ZINC000632333788 492975784 /nfs/dbraw/zinc/97/57/84/492975784.db2.gz IVOYQJIRXZBTSY-UHFFFAOYSA-N -1 1 368.333 0.796 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1=O ZINC000632548583 493027139 /nfs/dbraw/zinc/02/71/39/493027139.db2.gz RFUSDPBGAYFVEK-STQMWFEESA-N -1 1 351.428 0.114 10 0 FCAEMM COc1ccc(NC(=O)COCc2nccn2C)cc1[N-]S(C)(=O)=O ZINC000646638494 493076765 /nfs/dbraw/zinc/07/67/65/493076765.db2.gz ZAQRBIRLQYSOLF-UHFFFAOYSA-N -1 1 368.415 0.956 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1)C1CCOCC1 ZINC000647126547 493169587 /nfs/dbraw/zinc/16/95/87/493169587.db2.gz IGWSQFAXYLRFON-CQSZACIVSA-N -1 1 374.463 0.155 10 0 FCAEMM CN1CC[C@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@@H]1c1ccccc1 ZINC000659658328 493234990 /nfs/dbraw/zinc/23/49/90/493234990.db2.gz MZDSKGVFKCHRDO-GJZGRUSLSA-N -1 1 359.426 0.919 10 0 FCAEMM CC(C)(C)CCN1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659668574 493241632 /nfs/dbraw/zinc/24/16/32/493241632.db2.gz YWAFMQVDCXSUOF-UHFFFAOYSA-N -1 1 353.463 0.938 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000673223909 493304802 /nfs/dbraw/zinc/30/48/02/493304802.db2.gz PAEPFZOBRVPTGQ-SNVBAGLBSA-N -1 1 365.340 0.719 10 0 FCAEMM Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC000662206777 493495978 /nfs/dbraw/zinc/49/59/78/493495978.db2.gz SHVKDSLITQLCIM-ZIAGYGMSSA-N -1 1 360.414 0.726 10 0 FCAEMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)o1 ZINC000676235647 493532507 /nfs/dbraw/zinc/53/25/07/493532507.db2.gz NFTQFZAKDRGRGY-MRVPVSSYSA-N -1 1 357.413 0.747 10 0 FCAEMM CCN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1=O ZINC000670030322 493541868 /nfs/dbraw/zinc/54/18/68/493541868.db2.gz DYZCUQFRQOJZAW-JTQLQIEISA-N -1 1 357.432 0.707 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)co1 ZINC000672186918 493741418 /nfs/dbraw/zinc/74/14/18/493741418.db2.gz OSMWOAOEGAQYLM-IONNQARKSA-N -1 1 356.322 0.980 10 0 FCAEMM CCOc1cc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc(Cl)c1[O-] ZINC000371998293 517722603 /nfs/dbraw/zinc/72/26/03/517722603.db2.gz KIZIWGIEKGQBHV-UHFFFAOYSA-N -1 1 365.777 0.832 10 0 FCAEMM CC(C)n1nnnc1CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195159685 528701141 /nfs/dbraw/zinc/70/11/41/528701141.db2.gz GLLZCZOBMUVQLQ-UHFFFAOYSA-N -1 1 353.433 0.998 10 0 FCAEMM CC(C)n1nnnc1CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195159685 528701150 /nfs/dbraw/zinc/70/11/50/528701150.db2.gz GLLZCZOBMUVQLQ-UHFFFAOYSA-N -1 1 353.433 0.998 10 0 FCAEMM COCCOc1cccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000435675970 536700702 /nfs/dbraw/zinc/70/07/02/536700702.db2.gz PKWDNMBCVVWTMX-UHFFFAOYSA-N -1 1 354.388 0.415 10 0 FCAEMM COCCOc1cccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000435675970 536700707 /nfs/dbraw/zinc/70/07/07/536700707.db2.gz PKWDNMBCVVWTMX-UHFFFAOYSA-N -1 1 354.388 0.415 10 0 FCAEMM Cn1nccc1[C@H]([N-]S(=O)(=O)c1ccnn1C)C(=O)OC(C)(C)C ZINC000592106471 546608222 /nfs/dbraw/zinc/60/82/22/546608222.db2.gz VHULGDVZZHOQIY-LBPRGKRZSA-N -1 1 355.420 0.515 10 0 FCAEMM COC(=O)c1coc(C[N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)n1 ZINC000593645776 546735655 /nfs/dbraw/zinc/73/56/55/546735655.db2.gz QGXXVQWJBDPILL-UHFFFAOYSA-N -1 1 364.330 0.919 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@](C)(CO)OC)c1F ZINC000594484668 546797577 /nfs/dbraw/zinc/79/75/77/546797577.db2.gz JXJRWCIOLGGDFB-CYBMUJFWSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)cnn1C)c1cccc(OC)c1 ZINC000594820532 546834778 /nfs/dbraw/zinc/83/47/78/546834778.db2.gz BGYPQLUDJDEPGP-ZDUSSCGKSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1cccc(OC)c1 ZINC000594820931 546835354 /nfs/dbraw/zinc/83/53/54/546835354.db2.gz DLUYWMJHEZEJJV-GWCFXTLKSA-N -1 1 358.416 0.305 10 0 FCAEMM COC(=O)c1c[nH]c(C(=O)OC)c1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000551107318 547126307 /nfs/dbraw/zinc/12/63/07/547126307.db2.gz PHFAPWUBFIVQRD-VIFPVBQESA-N -1 1 359.404 0.977 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CCOC[C@H]1CO ZINC000236515681 664037026 /nfs/dbraw/zinc/03/70/26/664037026.db2.gz IDVBMDJQANOCQX-SECBINFHSA-N -1 1 363.151 0.830 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)c(Br)n1C ZINC000311540447 664110939 /nfs/dbraw/zinc/11/09/39/664110939.db2.gz TVMKLBFQCRZTSR-MDTSDYNXSA-N -1 1 372.310 0.926 10 0 FCAEMM CC1(C)[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C[C@@H]1N1CCOCC1 ZINC000867451346 664212138 /nfs/dbraw/zinc/21/21/38/664212138.db2.gz FBJMAMNJFVOKSN-STQMWFEESA-N -1 1 365.521 0.582 10 0 FCAEMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(CCS(C)(=O)=O)n1 ZINC000747617236 664923000 /nfs/dbraw/zinc/92/30/00/664923000.db2.gz UJWZKVAVLYFSPI-UHFFFAOYSA-N -1 1 352.482 0.706 10 0 FCAEMM Cn1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(Br)n1 ZINC000907475382 666132427 /nfs/dbraw/zinc/13/24/27/666132427.db2.gz JGQXOGVXYLUSKZ-SSDOTTSWSA-N -1 1 358.225 0.626 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000908719840 666215920 /nfs/dbraw/zinc/21/59/20/666215920.db2.gz YTSAUKDSCAAPGO-JLVBRIDZSA-N -1 1 352.479 0.766 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2(CC3CC3)CC2)CC1 ZINC000908729547 666216544 /nfs/dbraw/zinc/21/65/44/666216544.db2.gz MKFDNEWTXYFWOO-UHFFFAOYSA-N -1 1 352.479 0.910 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@]23C[C@@H]2CCCC3)CC1 ZINC000908734654 666216590 /nfs/dbraw/zinc/21/65/90/666216590.db2.gz XGSBHMZVJARGGC-MAUKXSAKSA-N -1 1 352.479 0.910 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000921377541 666442072 /nfs/dbraw/zinc/44/20/72/666442072.db2.gz XROVCKYCIVMKKK-SRVKXCTJSA-N -1 1 355.478 0.252 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2sccc2Cl)CCS(=O)(=O)C1 ZINC000921466377 666449433 /nfs/dbraw/zinc/44/94/33/666449433.db2.gz ABMTWPACTMCHLB-JTQLQIEISA-N -1 1 359.878 0.884 10 0 FCAEMM CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000921433577 666451231 /nfs/dbraw/zinc/45/12/31/666451231.db2.gz QNZJCIVACSQFTK-XUSGNXJCSA-N -1 1 355.526 0.828 10 0 FCAEMM COc1cc(C(=O)NCC23COCCN2CCOC3)cc(Cl)c1[O-] ZINC000913308339 666521057 /nfs/dbraw/zinc/52/10/57/666521057.db2.gz CEWSUFSSJVCKGV-UHFFFAOYSA-N -1 1 356.806 0.885 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC)o1 ZINC000046316001 666570780 /nfs/dbraw/zinc/57/07/80/666570780.db2.gz NEZKAWGCGXRXRY-UHFFFAOYSA-N -1 1 368.367 0.992 10 0 FCAEMM CO[C@@]1(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCSC1 ZINC000925382249 666632524 /nfs/dbraw/zinc/63/25/24/666632524.db2.gz KRKBPZZEOCMLJH-GFCCVEGCSA-N -1 1 355.382 0.828 10 0 FCAEMM C/C(=C\C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)CN1CCOCC1 ZINC000913779856 666650684 /nfs/dbraw/zinc/65/06/84/666650684.db2.gz KFXGBINCBXDHEJ-RZXPCSSPSA-N -1 1 363.380 0.934 10 0 FCAEMM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@@H]3COC[C@H]3O)C2=O)cc1 ZINC000914195459 666724055 /nfs/dbraw/zinc/72/40/55/666724055.db2.gz OZDIRVRMTMQGBD-RBSFLKMASA-N -1 1 354.428 0.170 10 0 FCAEMM COC(=O)C1CCC([N-]S(=O)(=O)CC2(F)CC2)(C(=O)OC)CC1 ZINC000914318260 666739762 /nfs/dbraw/zinc/73/97/62/666739762.db2.gz PPVDBKJNGRQKBL-UHFFFAOYSA-N -1 1 351.396 0.683 10 0 FCAEMM COC[C@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915134966 666822474 /nfs/dbraw/zinc/82/24/74/666822474.db2.gz AFIUWIWQSKXUMB-ZETCQYMHSA-N -1 1 372.212 0.882 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC000732089991 666855848 /nfs/dbraw/zinc/85/58/48/666855848.db2.gz FANPMIFTKCKXNR-ZDUSSCGKSA-N -1 1 365.415 0.136 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)o1 ZINC000917056444 667049784 /nfs/dbraw/zinc/04/97/84/667049784.db2.gz SZAFKBUIHVWBOG-GFCCVEGCSA-N -1 1 357.432 0.125 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCNC2=O)c1F ZINC000917137432 667061420 /nfs/dbraw/zinc/06/14/20/667061420.db2.gz PDEPHSDMPVACFD-ZETCQYMHSA-N -1 1 367.196 0.764 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736319833 667096958 /nfs/dbraw/zinc/09/69/58/667096958.db2.gz PIKOQOWRVLNIAC-CMPLNLGQSA-N -1 1 352.464 0.853 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1ccc(F)c(F)c1F ZINC000918403272 667119337 /nfs/dbraw/zinc/11/93/37/667119337.db2.gz NUXLYNVXQWKUSC-UHFFFAOYSA-N -1 1 366.361 0.483 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCCN1CC(F)(F)F ZINC000921599254 667141458 /nfs/dbraw/zinc/14/14/58/667141458.db2.gz QMMKLIILBZCXGW-YBYGRFCBSA-N -1 1 351.416 0.965 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(F)c(F)cc1F ZINC000918989165 667149073 /nfs/dbraw/zinc/14/90/73/667149073.db2.gz PKBUCWJCDVGKNI-SECBINFHSA-N -1 1 354.350 0.075 10 0 FCAEMM CCO[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)CN(C)C ZINC000921636448 667161242 /nfs/dbraw/zinc/16/12/42/667161242.db2.gz OWIHSBXBQHCQED-DMZKTXOQSA-N -1 1 363.505 0.944 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1Cl ZINC000921726229 667469395 /nfs/dbraw/zinc/46/93/95/667469395.db2.gz RYJXANKDCIRQQL-CBLAIPOGSA-N -1 1 353.853 0.460 10 0 FCAEMM CC(C)(C)OC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C1CC1 ZINC000753789183 667566650 /nfs/dbraw/zinc/56/66/50/667566650.db2.gz SFWCVBOUQKUKDG-UHFFFAOYSA-N -1 1 359.408 0.546 10 0 FCAEMM CC(C)(C)OC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C1CC1 ZINC000753789183 667566652 /nfs/dbraw/zinc/56/66/52/667566652.db2.gz SFWCVBOUQKUKDG-UHFFFAOYSA-N -1 1 359.408 0.546 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C2(c3ncccn3)CCOCC2)c1Cl ZINC000922065875 667580778 /nfs/dbraw/zinc/58/07/78/667580778.db2.gz FGOMPFXRRJSVJM-UHFFFAOYSA-N -1 1 357.823 0.848 10 0 FCAEMM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000867015194 667710990 /nfs/dbraw/zinc/71/09/90/667710990.db2.gz WSWYPYJUTRBFNQ-MJBXVCDLSA-N -1 1 364.508 0.993 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c(Br)n1C ZINC000700143746 667730229 /nfs/dbraw/zinc/73/02/29/667730229.db2.gz KGDNUSBNWOOPQN-VIFPVBQESA-N -1 1 367.269 0.100 10 0 FCAEMM CS(=O)(=O)N1CC[C@@H](NC(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000923071281 667804856 /nfs/dbraw/zinc/80/48/56/667804856.db2.gz XFMXHTALPTYUOB-SECBINFHSA-N -1 1 363.386 0.546 10 0 FCAEMM CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923254538 667817020 /nfs/dbraw/zinc/81/70/20/667817020.db2.gz ATHUVQOKKQCFBM-TUAOUCFPSA-N -1 1 370.368 0.759 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000866988292 667943151 /nfs/dbraw/zinc/94/31/51/667943151.db2.gz NTVKVJSQXORMME-BDAKNGLRSA-N -1 1 356.370 0.436 10 0 FCAEMM CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000838777049 667954296 /nfs/dbraw/zinc/95/42/96/667954296.db2.gz CZKRUQZAJKEIKB-NGDQXYMTSA-N -1 1 367.368 0.887 10 0 FCAEMM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000764153031 667974183 /nfs/dbraw/zinc/97/41/83/667974183.db2.gz SKXXFKBSDHLGSC-QMMMGPOBSA-N -1 1 371.440 0.317 10 0 FCAEMM CCN(C)C(=O)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805310392 668012516 /nfs/dbraw/zinc/01/25/16/668012516.db2.gz SASBBKVLKRREFR-NHCYSSNCSA-N -1 1 366.384 0.952 10 0 FCAEMM CC(=O)NCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804895130 668054266 /nfs/dbraw/zinc/05/42/66/668054266.db2.gz YXVPSUGNJBBOAL-NHCYSSNCSA-N -1 1 366.384 1.000 10 0 FCAEMM C[C@@H]1CCOCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000774797115 668174434 /nfs/dbraw/zinc/17/44/34/668174434.db2.gz OFFBPELSBSVCQD-SNVBAGLBSA-N -1 1 366.436 0.997 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000777080444 668308179 /nfs/dbraw/zinc/30/81/79/668308179.db2.gz XPYKESOEWCDKDH-UHFFFAOYSA-N -1 1 356.404 0.077 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)o1 ZINC000772927835 668336133 /nfs/dbraw/zinc/33/61/33/668336133.db2.gz VXGFDVQBGUHILL-WDEREUQCSA-N -1 1 373.431 0.784 10 0 FCAEMM CC[C@@H](CO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000779823009 668439568 /nfs/dbraw/zinc/43/95/68/668439568.db2.gz FZQHMXOCLQERNE-NSHDSACASA-N -1 1 358.416 0.370 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000783260790 668607637 /nfs/dbraw/zinc/60/76/37/668607637.db2.gz ARZKVQAJYZJHBJ-VXNVDRBHSA-N -1 1 363.338 0.519 10 0 FCAEMM COC(=O)CC1(NC(=O)c2ccc([O-])c(F)c2)CCS(=O)(=O)CC1 ZINC000784759386 668674639 /nfs/dbraw/zinc/67/46/39/668674639.db2.gz OYRISBLHAYBWNW-UHFFFAOYSA-N -1 1 359.375 0.772 10 0 FCAEMM C[C@@H]1C[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000786197747 668749913 /nfs/dbraw/zinc/74/99/13/668749913.db2.gz MRWQOEJJKGEHFD-NXEZZACHSA-N -1 1 360.388 0.015 10 0 FCAEMM CN(C)c1nc(C(=O)OCC(=O)NCC(=O)c2cccs2)cc(=O)[n-]1 ZINC000786505020 668763725 /nfs/dbraw/zinc/76/37/25/668763725.db2.gz WUMRZKSQUXVUJZ-UHFFFAOYSA-N -1 1 364.383 0.466 10 0 FCAEMM C/C=C/C[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OCC ZINC000788667545 668837549 /nfs/dbraw/zinc/83/75/49/668837549.db2.gz GJINONABERIQAW-STUBTGCMSA-N -1 1 359.404 0.681 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2)c(F)cc1Cl ZINC000795814032 669063143 /nfs/dbraw/zinc/06/31/43/669063143.db2.gz BSHMMJAKWWWREV-SSDOTTSWSA-N -1 1 364.782 0.775 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C2=O)c(F)cc1Cl ZINC000795847503 669064896 /nfs/dbraw/zinc/06/48/96/669064896.db2.gz TXQUISIRQKJHDC-SNVBAGLBSA-N -1 1 364.782 0.775 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn(C)nn2)c(F)cc1Cl ZINC000795925057 669071466 /nfs/dbraw/zinc/07/14/66/669071466.db2.gz YXJRIQKPDKLGOT-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM COC(=O)Cn1ccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000821173523 669166351 /nfs/dbraw/zinc/16/63/51/669166351.db2.gz QNDCZAVNLUELHI-UHFFFAOYSA-N -1 1 353.356 0.696 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591703 669581956 /nfs/dbraw/zinc/58/19/56/669581956.db2.gz ZYULDWBGMUWLQD-KOLCDFICSA-N -1 1 363.151 0.565 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000809838825 669644564 /nfs/dbraw/zinc/64/45/64/669644564.db2.gz CDEPPBLXPFJBJP-MADCSZMMSA-N -1 1 355.372 0.694 10 0 FCAEMM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810682350 669696984 /nfs/dbraw/zinc/69/69/84/669696984.db2.gz XIGGPCRMDJFXGE-ZETOZRRWSA-N -1 1 366.455 0.843 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000831162078 669832754 /nfs/dbraw/zinc/83/27/54/669832754.db2.gz AEERPBFDLVBVRD-WDEREUQCSA-N -1 1 366.336 0.482 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)NC2COCCOC2)C1)C(F)(F)F ZINC000813816653 669855615 /nfs/dbraw/zinc/85/56/15/669855615.db2.gz FGZRAXOCWFJZQZ-JTQLQIEISA-N -1 1 353.341 0.502 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@H]1OC ZINC000867107087 669941721 /nfs/dbraw/zinc/94/17/21/669941721.db2.gz RKLAEPQQMKDGPH-QXFUBDJGSA-N -1 1 357.354 0.910 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000816472306 669960860 /nfs/dbraw/zinc/96/08/60/669960860.db2.gz ZPZXBBAPPVAWRB-VIFPVBQESA-N -1 1 363.340 0.919 10 0 FCAEMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCO1 ZINC000867146329 670017985 /nfs/dbraw/zinc/01/79/85/670017985.db2.gz PWSUIQCWMUABPX-VIFPVBQESA-N -1 1 356.370 0.438 10 0 FCAEMM CON(C)C(=O)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000817799379 670033954 /nfs/dbraw/zinc/03/39/54/670033954.db2.gz FDIOPLJWEYBGQD-QXEWZRGKSA-N -1 1 368.356 0.493 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)c1C(F)(F)F ZINC000867449904 670053210 /nfs/dbraw/zinc/05/32/10/670053210.db2.gz BTRBBDJKZJHPDV-GFCCVEGCSA-N -1 1 371.381 0.895 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CCCO1 ZINC000867207811 670074692 /nfs/dbraw/zinc/07/46/92/670074692.db2.gz VYYVVWBHHLBCJM-BDAKNGLRSA-N -1 1 357.354 0.911 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000867259443 670547170 /nfs/dbraw/zinc/54/71/70/670547170.db2.gz MADHOVKFLBNWCR-YTEVENLXSA-N -1 1 366.509 0.619 10 0 FCAEMM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)n1nnnc1C(C)(C)C ZINC000843014885 670766712 /nfs/dbraw/zinc/76/67/12/670766712.db2.gz HPAWSBGIWZSETO-NSHDSACASA-N -1 1 372.495 0.462 10 0 FCAEMM Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017025 670767175 /nfs/dbraw/zinc/76/71/75/670767175.db2.gz YOUBOYNWFNRGRV-UHFFFAOYSA-N -1 1 358.464 0.346 10 0 FCAEMM CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843018102 670768051 /nfs/dbraw/zinc/76/80/51/670768051.db2.gz GLNGIBZRLVIMHY-AWEZNQCLSA-N -1 1 373.519 0.955 10 0 FCAEMM C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018208 670768123 /nfs/dbraw/zinc/76/81/23/670768123.db2.gz IURTXRSDPBZIRB-LBPRGKRZSA-N -1 1 359.492 0.612 10 0 FCAEMM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019589 670769195 /nfs/dbraw/zinc/76/91/95/670769195.db2.gz SJHMOEZZUZRVSI-UONOGXRCSA-N -1 1 362.492 0.891 10 0 FCAEMM O=S(=O)([N-]C[C@H]1CCCCN1CCO)c1ccc(Cl)nc1F ZINC000867328408 670834975 /nfs/dbraw/zinc/83/49/75/670834975.db2.gz WJJHOCPRABKRFY-SNVBAGLBSA-N -1 1 351.831 0.999 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)nnc3C2)co1 ZINC000843943620 670872447 /nfs/dbraw/zinc/87/24/47/670872447.db2.gz TYHNPRLSILFBHZ-UHFFFAOYSA-N -1 1 356.791 0.830 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)CCOCC1 ZINC000845939499 671054177 /nfs/dbraw/zinc/05/41/77/671054177.db2.gz JMHPTNGAAMDCGC-DZGCQCFKSA-N -1 1 357.428 0.596 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCn2cnnn2)c(F)cc1Cl ZINC000845950649 671056145 /nfs/dbraw/zinc/05/61/45/671056145.db2.gz LQESOQPZNCPFEZ-UHFFFAOYSA-N -1 1 363.758 0.231 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@@]1(O)CCOC1 ZINC000847388880 671188662 /nfs/dbraw/zinc/18/86/62/671188662.db2.gz JVGLMWMUWOALJS-JTNHKYCSSA-N -1 1 367.368 0.769 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000847388343 671188821 /nfs/dbraw/zinc/18/88/21/671188821.db2.gz CHFOOFCYFUEOIS-DOLQZWNJSA-N -1 1 350.341 0.491 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)c(F)cc1Cl ZINC000848468082 671278932 /nfs/dbraw/zinc/27/89/32/671278932.db2.gz ZHCSNGKBWJULFN-ZDUSSCGKSA-N -1 1 369.798 0.941 10 0 FCAEMM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC000848957031 671305542 /nfs/dbraw/zinc/30/55/42/671305542.db2.gz JVOWUXZLXMYCJI-UHFFFAOYSA-N -1 1 368.481 0.796 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000849369039 671329536 /nfs/dbraw/zinc/32/95/36/671329536.db2.gz WSGLHEYFEVKSSZ-LSDHHAIUSA-N -1 1 357.428 0.701 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1c(Cl)ccnc1Cl ZINC000849428105 671342174 /nfs/dbraw/zinc/34/21/74/671342174.db2.gz SQYPGPQJYZUHEO-GFCCVEGCSA-N -1 1 371.242 0.835 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1 ZINC000851699351 671459718 /nfs/dbraw/zinc/45/97/18/671459718.db2.gz BNFUOXRKFIHNHH-PWSUYJOCSA-N -1 1 359.304 0.747 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000851700831 671460405 /nfs/dbraw/zinc/46/04/05/671460405.db2.gz QMIGQPYXPBYHSL-NXEZZACHSA-N -1 1 361.276 0.056 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCC[C@]2(O)CCOC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852397254 671505265 /nfs/dbraw/zinc/50/52/65/671505265.db2.gz IDIZWZUURBPDJY-SUNKGSAMSA-N -1 1 367.368 0.626 10 0 FCAEMM COCc1nc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n[nH]1 ZINC000855522025 671651086 /nfs/dbraw/zinc/65/10/86/671651086.db2.gz RKUNTIMECXOQBY-UHFFFAOYSA-N -1 1 360.399 0.417 10 0 FCAEMM C[C@@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000855748765 671662928 /nfs/dbraw/zinc/66/29/28/671662928.db2.gz PYSPBFDUWQCNKC-KXUCPTDWSA-N -1 1 368.352 0.747 10 0 FCAEMM O=S(=O)([N-]C1COCCOC1)c1ccc(Br)nc1F ZINC000859167010 671797583 /nfs/dbraw/zinc/79/75/83/671797583.db2.gz RKWYIYBWMJOEIS-UHFFFAOYSA-N -1 1 355.185 0.677 10 0 FCAEMM O=C1CCCN1CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859207443 671800986 /nfs/dbraw/zinc/80/09/86/671800986.db2.gz YOFWLQMPPNWVDH-UHFFFAOYSA-N -1 1 366.212 0.884 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859208094 671801065 /nfs/dbraw/zinc/80/10/65/671801065.db2.gz IJAZYFHLZNFWHR-UHFFFAOYSA-N -1 1 370.200 0.671 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)n1 ZINC000859249595 671804340 /nfs/dbraw/zinc/80/43/40/671804340.db2.gz GXQFSMWNGITYEO-UHFFFAOYSA-N -1 1 363.241 0.581 10 0 FCAEMM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000859271637 671806379 /nfs/dbraw/zinc/80/63/79/671806379.db2.gz BVPQQEXGEKAFIL-UHFFFAOYSA-N -1 1 358.342 0.517 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1ccc(Br)nc1F ZINC000859286681 671809714 /nfs/dbraw/zinc/80/97/14/671809714.db2.gz IWEFWHTZDSJTSA-HTQZYQBOSA-N -1 1 369.212 0.801 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000859872887 671849804 /nfs/dbraw/zinc/84/98/04/671849804.db2.gz HCGZYMPKIFVSHK-CABCVRRESA-N -1 1 366.439 0.603 10 0 FCAEMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000864159563 672176741 /nfs/dbraw/zinc/17/67/41/672176741.db2.gz FWZIQCVEVCCMEI-JLLWLGSASA-N -1 1 354.325 0.340 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000866441693 672274139 /nfs/dbraw/zinc/27/41/39/672274139.db2.gz RIQLAQXSINFQQC-ZSMADZGOSA-N -1 1 355.526 0.826 10 0 FCAEMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866499618 672278623 /nfs/dbraw/zinc/27/86/23/672278623.db2.gz NRKXHGDJVUSWSJ-SECBINFHSA-N -1 1 356.370 0.438 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1nc(C2CC2)no1 ZINC000866723544 672292817 /nfs/dbraw/zinc/29/28/17/672292817.db2.gz FJUWUMPDQHWAHG-QWHCGFSZSA-N -1 1 358.464 0.894 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC[S@@](=O)Cc1ccccc1 ZINC000866754909 672298926 /nfs/dbraw/zinc/29/89/26/672298926.db2.gz MSEDOFLWXYRLKY-UXHICEINSA-N -1 1 352.503 0.887 10 0 FCAEMM CC(C)n1cc(C[N-]S(=O)(=O)c2cn(C)nc2Br)nn1 ZINC000867480960 672323232 /nfs/dbraw/zinc/32/32/32/672323232.db2.gz ZWTRXDBXQHTFJM-UHFFFAOYSA-N -1 1 363.241 0.834 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000867484994 672323518 /nfs/dbraw/zinc/32/35/18/672323518.db2.gz LBWFSARQUNGALN-UPJWGTAASA-N -1 1 353.510 0.580 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867519044 672330200 /nfs/dbraw/zinc/33/02/00/672330200.db2.gz AUURMRIHQZDVNE-JTQLQIEISA-N -1 1 372.216 0.752 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000867762501 672364591 /nfs/dbraw/zinc/36/45/91/672364591.db2.gz DVSTUGQSNVPABM-ZJUUUORDSA-N -1 1 357.375 0.646 10 0 FCAEMM O=C1COC[C@]2(C[N-]S(=O)(=O)c3ccc(C(F)F)o3)COCCN12 ZINC000867790296 672367707 /nfs/dbraw/zinc/36/77/07/672367707.db2.gz SGBAFIRWGOXIHD-ZDUSSCGKSA-N -1 1 366.342 0.123 10 0 FCAEMM O=C([N-]CC1CN(S(=O)(=O)CCC[C@@H]2CCOC2)C1)C(F)(F)F ZINC000867900459 672380141 /nfs/dbraw/zinc/38/01/41/672380141.db2.gz QMFPMMSDFXYVCO-SNVBAGLBSA-N -1 1 358.382 0.743 10 0 FCAEMM CO[C@H](CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000868760277 672409769 /nfs/dbraw/zinc/40/97/69/672409769.db2.gz UPOUYVPUMIIHRZ-WDMOLILDSA-N -1 1 367.368 0.890 10 0 FCAEMM O=C(Cc1ncn[nH]1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000869362285 672429156 /nfs/dbraw/zinc/42/91/56/672429156.db2.gz GOTFBAVJBKJTHJ-BQBZGAKWSA-N -1 1 373.257 0.948 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CC(O)(c2cccc(Br)c2)C1 ZINC000870232010 672480741 /nfs/dbraw/zinc/48/07/41/672480741.db2.gz FSEQPPPYADRASG-UHFFFAOYSA-N -1 1 352.192 0.625 10 0 FCAEMM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000870447806 672493165 /nfs/dbraw/zinc/49/31/65/672493165.db2.gz YYYJRJGTSMBDBM-ZIAGYGMSSA-N -1 1 362.492 0.748 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000871212211 672536295 /nfs/dbraw/zinc/53/62/95/672536295.db2.gz KRLDRKPUBXCUTD-ZJUUUORDSA-N -1 1 372.365 0.412 10 0 FCAEMM Cc1nnc(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1C ZINC000872006257 672593521 /nfs/dbraw/zinc/59/35/21/672593521.db2.gz CXSXYHCTUBMCST-UHFFFAOYSA-N -1 1 352.342 0.397 10 0 FCAEMM COC(=O)/C(C)=C\CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000925018950 673774418 /nfs/dbraw/zinc/77/44/18/673774418.db2.gz WKHDGMFCBOQUJH-PRUHKGEBSA-N -1 1 351.325 0.958 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N1CCN(C2CCC(C)CC2)CC1)C(=O)[O-] ZINC000927958595 673894055 /nfs/dbraw/zinc/89/40/55/673894055.db2.gz HMJHFJDMTIQACU-SHARSMKWSA-N -1 1 353.463 0.936 10 0 FCAEMM CS(=O)(=O)N1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900033241 675660076 /nfs/dbraw/zinc/66/00/76/675660076.db2.gz PRZHSOFZVYFGNY-UHFFFAOYSA-N -1 1 353.375 0.797 10 0 FCAEMM CC(=O)N1CCN(C(=O)C(=O)NCCc2c(F)cc([O-])cc2F)[C@@H](C)C1 ZINC000933112370 1170064071 /nfs/dbraw/zinc/06/40/71/1170064071.db2.gz ZSSCAABLIRUWNF-JTQLQIEISA-N -1 1 369.368 0.408 10 0 FCAEMM O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccccc1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267363075 1180000109 /nfs/dbraw/zinc/00/01/09/1180000109.db2.gz YKNFRVYSTZGZJX-MGPQQGTHSA-N -1 1 367.413 0.984 10 0 FCAEMM CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001719800903 1180187853 /nfs/dbraw/zinc/18/78/53/1180187853.db2.gz CEOHLCSNHFEAKF-UTLUCORTSA-N -1 1 350.375 0.558 10 0 FCAEMM Cc1n[nH]c(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)C)c1[O-] ZINC001746821474 1181970525 /nfs/dbraw/zinc/97/05/25/1181970525.db2.gz STTFSVBDERTIPX-UTUOFQBUSA-N -1 1 360.418 0.821 10 0 FCAEMM CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001719845258 1186309643 /nfs/dbraw/zinc/30/96/43/1186309643.db2.gz AHBZRHDPTNAVPL-RDBSUJKOSA-N -1 1 374.441 0.365 10 0 FCAEMM CCNC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719848487 1186361609 /nfs/dbraw/zinc/36/16/09/1186361609.db2.gz ZNGAWEFUICNGPJ-RDBSUJKOSA-N -1 1 374.441 0.955 10 0 FCAEMM Cn1[n-]c(CN2CC(CNC(=O)C[C@@H]3C[C@H]3Cc3ccccc3)C2)nc1=O ZINC001481636097 1186626392 /nfs/dbraw/zinc/62/63/92/1186626392.db2.gz OAYHSFIMVOQBJE-SJORKVTESA-N -1 1 369.469 0.925 10 0 FCAEMM CO[C@H]1COCC[C@@H]1N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687391000 1188352318 /nfs/dbraw/zinc/35/23/18/1188352318.db2.gz PBBGQOBNFVYKSB-STQMWFEESA-N -1 1 352.391 0.200 10 0 FCAEMM CC(C)O[C@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001687391288 1188352778 /nfs/dbraw/zinc/35/27/78/1188352778.db2.gz YALCXZFTSHZVOT-KRWDZBQOSA-N -1 1 366.418 0.638 10 0 FCAEMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001482389152 1188392986 /nfs/dbraw/zinc/39/29/86/1188392986.db2.gz KXFKKIODJJMROD-NFAWXSAZSA-N -1 1 351.451 0.946 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CCC(C)(C)CO2)CC1 ZINC000908727972 1195764166 /nfs/dbraw/zinc/76/41/66/1195764166.db2.gz ZBYYSMBOMZIWCS-OAHLLOKOSA-N -1 1 370.494 0.535 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CC(=O)N(C)C3)n[nH]2)cc1C ZINC000151075660 1196392638 /nfs/dbraw/zinc/39/26/38/1196392638.db2.gz AHGIXTMKJLPURV-CYBMUJFWSA-N -1 1 355.398 0.933 10 0 FCAEMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1cn(-c2ccccc2)nn1 ZINC000761461504 1197070612 /nfs/dbraw/zinc/07/06/12/1197070612.db2.gz OTPPXGIOUWEMND-GFCCVEGCSA-N -1 1 354.370 0.385 10 0 FCAEMM CC(=O)N(C)c1ccc(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001219208821 1224387465 /nfs/dbraw/zinc/38/74/65/1224387465.db2.gz SFMBSNBIHRGVAD-UHFFFAOYSA-N -1 1 372.385 0.954 10 0 FCAEMM COCc1nc([C@@H]2COCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)no1 ZINC000806482247 1202745003 /nfs/dbraw/zinc/74/50/03/1202745003.db2.gz LYSYPRLMVGIABY-LBPRGKRZSA-N -1 1 373.373 0.477 10 0 FCAEMM COc1cc(N2CCN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)ncn1 ZINC000806488023 1202746991 /nfs/dbraw/zinc/74/69/91/1202746991.db2.gz IYQPMDMUJHWVSX-UHFFFAOYSA-N -1 1 368.401 0.495 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)ccnc1-2 ZINC000806948140 1202799193 /nfs/dbraw/zinc/79/91/93/1202799193.db2.gz XBKHLMGUCNBKGG-CHWSQXEVSA-N -1 1 357.414 0.555 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H]([C@@H]4CCOC4)C3)ccnc1-2 ZINC000806948142 1202799659 /nfs/dbraw/zinc/79/96/59/1202799659.db2.gz XBKHLMGUCNBKGG-QWHCGFSZSA-N -1 1 357.414 0.555 10 0 FCAEMM Cc1cccc2[nH]c(CNC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)nc21 ZINC000806955753 1202800899 /nfs/dbraw/zinc/80/08/99/1202800899.db2.gz UXTUOHBMVHLMBS-UHFFFAOYSA-N -1 1 363.381 0.781 10 0 FCAEMM C[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000843939474 1203326573 /nfs/dbraw/zinc/32/65/73/1203326573.db2.gz WLIQNKAUKRXPSX-CHWSQXEVSA-N -1 1 365.430 0.753 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1N=NC(=O)N1C1CC1 ZINC001143932883 1204402369 /nfs/dbraw/zinc/40/23/69/1204402369.db2.gz LXWUJOGNGAGYER-UHFFFAOYSA-N -1 1 357.374 0.543 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc3c2NC(=O)CO3)n[n-]1 ZINC001146866117 1204744339 /nfs/dbraw/zinc/74/43/39/1204744339.db2.gz NFAQDHFJKSAUKW-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc3c2NC(=O)CO3)[n-]1 ZINC001146866117 1204744343 /nfs/dbraw/zinc/74/43/43/1204744343.db2.gz NFAQDHFJKSAUKW-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc3c2NC(=O)CO3)n1 ZINC001146866117 1204744348 /nfs/dbraw/zinc/74/43/48/1204744348.db2.gz NFAQDHFJKSAUKW-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM COC(=O)COc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001175213699 1206301724 /nfs/dbraw/zinc/30/17/24/1206301724.db2.gz GSNBVHRBHLTQIT-UHFFFAOYSA-N -1 1 373.365 0.737 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc2nc[nH]c(=O)c21 ZINC001175214602 1206301863 /nfs/dbraw/zinc/30/18/63/1206301863.db2.gz QWOJYFXQTPWHQC-UHFFFAOYSA-N -1 1 353.338 0.834 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)=NO1 ZINC001175564099 1206306003 /nfs/dbraw/zinc/30/60/03/1206306003.db2.gz ZLHACSMPXHWQNC-NXEZZACHSA-N -1 1 365.394 0.185 10 0 FCAEMM C[C@H](CN(C)C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000774001755 1206424154 /nfs/dbraw/zinc/42/41/54/1206424154.db2.gz GBYRDLSJKQYMOL-LLVKDONJSA-N -1 1 368.438 0.788 10 0 FCAEMM CC/C(C)=C/C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001489236545 1208712324 /nfs/dbraw/zinc/71/23/24/1208712324.db2.gz PDEDBLPMUURJKW-GMEADYRZSA-N -1 1 370.413 0.447 10 0 FCAEMM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001489291947 1208721644 /nfs/dbraw/zinc/72/16/44/1208721644.db2.gz UOIGGECMNYKERT-ZIAGYGMSSA-N -1 1 362.430 0.941 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC001489506759 1208864754 /nfs/dbraw/zinc/86/47/54/1208864754.db2.gz QRQMCTLMPBUCOM-GZBFAFLISA-N -1 1 363.414 0.702 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001490073063 1209213034 /nfs/dbraw/zinc/21/30/34/1209213034.db2.gz BUXSLSKHAXOWKY-MNOVXSKESA-N -1 1 360.418 0.573 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490381866 1209329910 /nfs/dbraw/zinc/32/99/10/1209329910.db2.gz JXIHYTBUKIUQGF-YRGRVCCFSA-N -1 1 362.430 0.526 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(CC(N)=O)CCCCC3)ccnc1-2 ZINC000850714339 1209486765 /nfs/dbraw/zinc/48/67/65/1209486765.db2.gz QWNSFBVDSOJTDI-UHFFFAOYSA-N -1 1 372.429 0.222 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2n1CCC2 ZINC000851701773 1209517286 /nfs/dbraw/zinc/51/72/86/1209517286.db2.gz IHONOVYGFDNQLZ-KWQFWETISA-N -1 1 374.319 0.566 10 0 FCAEMM O=C([N-][C@@H]1CN(C(=O)[C@H]2CC(=O)N2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000856172405 1209697765 /nfs/dbraw/zinc/69/77/65/1209697765.db2.gz ZUKYBQOJJMIGBA-JHJVBQTASA-N -1 1 369.343 0.938 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN(CCc2cnccn2)CC1 ZINC000871217903 1210134657 /nfs/dbraw/zinc/13/46/57/1210134657.db2.gz BZVMWCUEDWQTAE-UHFFFAOYSA-N -1 1 369.454 0.809 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000777362185 1210994733 /nfs/dbraw/zinc/99/47/33/1210994733.db2.gz FSXYVJGWROOCMX-LBPRGKRZSA-N -1 1 369.381 0.630 10 0 FCAEMM CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783154 1211581234 /nfs/dbraw/zinc/58/12/34/1211581234.db2.gz VFBXLNGBWANQMI-CYBMUJFWSA-N -1 1 373.400 0.547 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927958092 1211594808 /nfs/dbraw/zinc/59/48/08/1211594808.db2.gz DWBVAWWDLSBNNX-HOTGVXAUSA-N -1 1 361.442 0.946 10 0 FCAEMM CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001490884546 1216688008 /nfs/dbraw/zinc/68/80/08/1216688008.db2.gz GKHGIYSHVIOTSN-BTDLBPIBSA-N -1 1 364.402 0.807 10 0 FCAEMM CCNC(=O)CN1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900109940 1217962315 /nfs/dbraw/zinc/96/23/15/1217962315.db2.gz UFEPQVDURXGAAK-UHFFFAOYSA-N -1 1 360.389 0.973 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCN(c2ncccc2F)C1 ZINC001137329173 1218993665 /nfs/dbraw/zinc/99/36/65/1218993665.db2.gz UQZGERKKOGACQB-LLVKDONJSA-N -1 1 359.361 0.446 10 0 FCAEMM Cc1cnn(-c2ccc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2)c1 ZINC000798148092 1221280468 /nfs/dbraw/zinc/28/04/68/1221280468.db2.gz MMCJWTQGEJKIBR-UHFFFAOYSA-N -1 1 353.386 0.818 10 0 FCAEMM C[C@@H]1[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CC(=O)N1Cc1ccccc1 ZINC000799087128 1221301479 /nfs/dbraw/zinc/30/14/79/1221301479.db2.gz JMXIYMVGMVEXIC-UKRRQHHQSA-N -1 1 370.409 0.233 10 0 FCAEMM O=C([O-])c1ccc(CN2C(=O)C[C@@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001116837642 1221394247 /nfs/dbraw/zinc/39/42/47/1221394247.db2.gz JOUIHBUYOQQQCB-AUUYWEPGSA-N -1 1 371.393 0.224 10 0 FCAEMM CN(C)C(=O)c1ccc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC001118568948 1221802070 /nfs/dbraw/zinc/80/20/70/1221802070.db2.gz KPJYPHWGMTZOCQ-FZKQIMNGSA-N -1 1 361.398 0.360 10 0 FCAEMM C[C@H](N1CCN(c2nnc(-c3nnn[n-]3)n2CC2CC2)CC1)C(F)(F)F ZINC001123689296 1222350342 /nfs/dbraw/zinc/35/03/42/1222350342.db2.gz FFNAZQLVIABVFB-VIFPVBQESA-N -1 1 371.371 0.941 10 0 FCAEMM C[C@H](N1CCN(c2nnc(-c3nn[n-]n3)n2CC2CC2)CC1)C(F)(F)F ZINC001123689296 1222350348 /nfs/dbraw/zinc/35/03/48/1222350348.db2.gz FFNAZQLVIABVFB-VIFPVBQESA-N -1 1 371.371 0.941 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)C[C@@H]1C(=O)[O-] ZINC000843257248 1222866845 /nfs/dbraw/zinc/86/68/45/1222866845.db2.gz MGWGQQUGHWPVFG-YPMHNXCESA-N -1 1 371.397 0.657 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000843257248 1222866847 /nfs/dbraw/zinc/86/68/47/1222866847.db2.gz MGWGQQUGHWPVFG-YPMHNXCESA-N -1 1 371.397 0.657 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(=O)OCc1ccccc1 ZINC001164110900 1223235834 /nfs/dbraw/zinc/23/58/34/1223235834.db2.gz SSPBLHRUUDRKDN-GFCCVEGCSA-N -1 1 357.366 0.765 10 0 FCAEMM Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001328248062 1265512536 /nfs/dbraw/zinc/51/25/36/1265512536.db2.gz PMLIUCFLXNDAQL-CYBMUJFWSA-N -1 1 361.406 0.578 10 0 FCAEMM CCOC(=O)N(C)C1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1 ZINC001517105420 1265585716 /nfs/dbraw/zinc/58/57/16/1265585716.db2.gz RBVTXYNYBIVYRV-UHFFFAOYSA-N -1 1 351.367 0.216 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001520654113 1265959157 /nfs/dbraw/zinc/95/91/57/1265959157.db2.gz FGAFFAAHKXZSKT-UTUOFQBUSA-N -1 1 360.418 0.573 10 0 FCAEMM CC(=O)N(C)CC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001521535808 1266133660 /nfs/dbraw/zinc/13/36/60/1266133660.db2.gz JNGMGEQYKFOSGY-SCLBCKFNSA-N -1 1 360.414 0.186 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)C=C(C)C)[C@H](C)C1 ZINC001521763515 1266174192 /nfs/dbraw/zinc/17/41/92/1266174192.db2.gz TUDAESJCKCZGHX-GHMZBOCLSA-N -1 1 364.402 0.687 10 0 FCAEMM C/C=C(\C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001521932041 1266237232 /nfs/dbraw/zinc/23/72/32/1266237232.db2.gz QOWBAPOKXLGOND-AQIXGVPMSA-N -1 1 362.430 0.104 10 0 FCAEMM CSc1ncc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(=O)[n-]1 ZINC001168537280 1259389219 /nfs/dbraw/zinc/38/92/19/1259389219.db2.gz IEBORKKNFQZJPF-NWDGAFQWSA-N -1 1 373.438 0.895 10 0 FCAEMM C[C@@H](C(=O)[N-]OCCN1CCCC1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001168627452 1259389819 /nfs/dbraw/zinc/38/98/19/1259389819.db2.gz PYABHUNBYJYCLN-CHWSQXEVSA-N -1 1 373.450 0.521 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(c2cc(C)no2)CCOCC1 ZINC001335380059 1259633881 /nfs/dbraw/zinc/63/38/81/1259633881.db2.gz QDYKCMLTYGBXQS-UHFFFAOYSA-N -1 1 350.331 0.629 10 0 FCAEMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@](OC)(C(=O)[O-])C1 ZINC001331736054 1266275598 /nfs/dbraw/zinc/27/55/98/1266275598.db2.gz GRNLZEDJNAOQKJ-RDTXWAMCSA-N -1 1 367.398 0.813 10 0 FCAEMM Cc1n[nH]c(C(=O)NCC[C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)c1[O-] ZINC001521986642 1266278882 /nfs/dbraw/zinc/27/88/82/1266278882.db2.gz DWKYGOWUOJQISP-MRVWCRGKSA-N -1 1 363.462 0.732 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2OC3CCC2CC3)C1 ZINC001335656487 1259767699 /nfs/dbraw/zinc/76/76/99/1259767699.db2.gz VZZGNSRVWQUNIJ-FDZGAKKTSA-N -1 1 363.336 0.741 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001331807603 1266290374 /nfs/dbraw/zinc/29/03/74/1266290374.db2.gz OPWSONLHSYNVGT-LSDHHAIUSA-N -1 1 358.398 0.339 10 0 FCAEMM O=C(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)NC1CCCCC1 ZINC001254488253 1259886051 /nfs/dbraw/zinc/88/60/51/1259886051.db2.gz HYINFFDIXIOPQY-UHFFFAOYSA-N -1 1 363.418 0.503 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001254496875 1259887580 /nfs/dbraw/zinc/88/75/80/1259887580.db2.gz NNEMLYGZPNTJAW-LLVKDONJSA-N -1 1 361.402 0.065 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CC(C)(C)CO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264729596 1260405199 /nfs/dbraw/zinc/40/51/99/1260405199.db2.gz XJAYCKPPMBLHJO-MCIONIFRSA-N -1 1 365.478 0.783 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CC2(C1)C[C@@H](O)CNC2=O ZINC001522115198 1266349506 /nfs/dbraw/zinc/34/95/06/1266349506.db2.gz IXFNADXEIJQUQV-SECBINFHSA-N -1 1 355.188 0.478 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001281956834 1261307914 /nfs/dbraw/zinc/30/79/14/1261307914.db2.gz AEYFSJYFUOBYBV-CHWSQXEVSA-N -1 1 360.414 0.375 10 0 FCAEMM CCO[C@@H]1CN(C(=O)COC(C)C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001282176151 1261368766 /nfs/dbraw/zinc/36/87/66/1261368766.db2.gz WWWGGLFVTZFTCQ-UKRRQHHQSA-N -1 1 365.430 0.806 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)CC1(C)CC1 ZINC001282367386 1261430442 /nfs/dbraw/zinc/43/04/42/1261430442.db2.gz GGBDJWZUPUSPAP-OLZOCXBDSA-N -1 1 362.430 0.223 10 0 FCAEMM COC(=O)c1cnc(C(=O)NC2(c3ncc(OC)c(=O)[n-]3)CCCC2)cn1 ZINC001472112640 1261438171 /nfs/dbraw/zinc/43/81/71/1261438171.db2.gz UPTWMUVJJXBCPU-UHFFFAOYSA-N -1 1 373.369 0.967 10 0 FCAEMM CNc1nnc(CC(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)s1 ZINC001472259417 1261456030 /nfs/dbraw/zinc/45/60/30/1261456030.db2.gz ZBDUFBXIGIEDEI-QMMMGPOBSA-N -1 1 350.404 0.990 10 0 FCAEMM Cc1cnn(CC(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c1 ZINC001282465156 1261467083 /nfs/dbraw/zinc/46/70/83/1261467083.db2.gz WLKFSSKTVNSPJS-ZIAGYGMSSA-N -1 1 357.414 0.817 10 0 FCAEMM CCNC(=O)CCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282467983 1261468005 /nfs/dbraw/zinc/46/80/05/1261468005.db2.gz UWSQCAROVLDWID-CHWSQXEVSA-N -1 1 362.430 0.528 10 0 FCAEMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2)C1CC1 ZINC001282657697 1261571813 /nfs/dbraw/zinc/57/18/13/1261571813.db2.gz FIJSIHATCWQOPR-RZFFKMDDSA-N -1 1 374.441 0.221 10 0 FCAEMM CC(C)=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001282761339 1261615723 /nfs/dbraw/zinc/61/57/23/1261615723.db2.gz WONBDRKEYOXDEV-MCIONIFRSA-N -1 1 360.414 0.141 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2ccn(C)n2)CCN1C(=O)c1ncccc1[O-] ZINC001345397359 1261695060 /nfs/dbraw/zinc/69/50/60/1261695060.db2.gz ZVJGDTAIBCTNFB-OCCSQVGLSA-N -1 1 357.414 0.873 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001287765623 1261972513 /nfs/dbraw/zinc/97/25/13/1261972513.db2.gz OBPXCOIOFFDOLP-QEEYODRMSA-N -1 1 369.421 0.972 10 0 FCAEMM CC/C(C)=C\C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001289074854 1262094502 /nfs/dbraw/zinc/09/45/02/1262094502.db2.gz KGKGHFXNJPYXHG-DNFKICFMSA-N -1 1 360.414 0.717 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCOCCOC ZINC001290414364 1262439239 /nfs/dbraw/zinc/43/92/39/1262439239.db2.gz YJZRTPZQBUZDKV-UONOGXRCSA-N -1 1 365.430 0.950 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2 ZINC001291781657 1262590251 /nfs/dbraw/zinc/59/02/51/1262590251.db2.gz UDEXJXJYUHOPQU-VWYCJHECSA-N -1 1 364.402 0.804 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001292087932 1262643477 /nfs/dbraw/zinc/64/34/77/1262643477.db2.gz HWYWBENFMYUDIS-WERPAELLSA-N -1 1 374.441 0.531 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CC1 ZINC001292155682 1262657505 /nfs/dbraw/zinc/65/75/05/1262657505.db2.gz SVWGNZOORBHDMG-UTUOFQBUSA-N -1 1 358.398 0.175 10 0 FCAEMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2)C1CC1 ZINC001292158352 1262657555 /nfs/dbraw/zinc/65/75/55/1262657555.db2.gz FIJSIHATCWQOPR-NGFQHRJXSA-N -1 1 374.441 0.221 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC001292683240 1262700070 /nfs/dbraw/zinc/70/00/70/1262700070.db2.gz LMNWMKRNASLPJB-UHFFFAOYSA-N -1 1 364.333 0.124 10 0 FCAEMM C/C(=C\C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)CN1CCOCC1 ZINC001293574437 1262719270 /nfs/dbraw/zinc/71/92/70/1262719270.db2.gz JXVBQLNKBSTMFF-JLHYYAGUSA-N -1 1 358.402 0.996 10 0 FCAEMM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001295019676 1262754982 /nfs/dbraw/zinc/75/49/82/1262754982.db2.gz JLNQSNPGDPXVCR-GFCCVEGCSA-N -1 1 365.386 0.086 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001296687257 1262831112 /nfs/dbraw/zinc/83/11/12/1262831112.db2.gz GAKOQNAYTGRGTI-LBPRGKRZSA-N -1 1 372.410 0.783 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](CC)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001297486034 1262871680 /nfs/dbraw/zinc/87/16/80/1262871680.db2.gz YKPMUAGKANPXMQ-GRYCIOLGSA-N -1 1 360.418 0.478 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001300168042 1262984317 /nfs/dbraw/zinc/98/43/17/1262984317.db2.gz GNZFGXWLOPATFX-NSHDSACASA-N -1 1 359.357 0.854 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)COCc2ccc(OC)nc2)n[n-]1 ZINC001300607185 1262991974 /nfs/dbraw/zinc/99/19/74/1262991974.db2.gz BLAHTYHATPEBJL-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)COCc2ccc(OC)nc2)[n-]1 ZINC001300607185 1262991979 /nfs/dbraw/zinc/99/19/79/1262991979.db2.gz BLAHTYHATPEBJL-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COCc2ccc(OC)nc2)n1 ZINC001300607185 1262991984 /nfs/dbraw/zinc/99/19/84/1262991984.db2.gz BLAHTYHATPEBJL-JTQLQIEISA-N -1 1 363.374 0.779 10 0 FCAEMM Cn1cc(-c2ccnc(C3CCN(C(=O)CCc4nn[n-]n4)CC3)n2)cn1 ZINC001301559109 1263011453 /nfs/dbraw/zinc/01/14/53/1263011453.db2.gz PWORZGPBKIXRAP-UHFFFAOYSA-N -1 1 367.417 0.729 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001302558884 1263049244 /nfs/dbraw/zinc/04/92/44/1263049244.db2.gz CILUIUKTFUPQDR-NSHDSACASA-N -1 1 355.350 0.667 10 0 FCAEMM Cn1nc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1NC(=O)OC(C)(C)C ZINC001302936926 1263065736 /nfs/dbraw/zinc/06/57/36/1263065736.db2.gz KVMQSHFRDNMPGB-VIFPVBQESA-N -1 1 362.394 0.910 10 0 FCAEMM O=C(NCCCOC[C@H]1CCOC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155941 1263173075 /nfs/dbraw/zinc/17/30/75/1263173075.db2.gz FJKDCJNOFAHMNG-GFCCVEGCSA-N -1 1 366.418 0.497 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)NCC1(O)CCS(=O)(=O)CC1 ZINC001479210990 1263179218 /nfs/dbraw/zinc/17/92/18/1263179218.db2.gz BOYONKGTUYVQDE-UHFFFAOYSA-N -1 1 362.835 0.785 10 0 FCAEMM CCO[C@H](CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C(C)C ZINC001479708674 1263364006 /nfs/dbraw/zinc/36/40/06/1263364006.db2.gz IJBKQSSCMSNSRX-HZSPNIEDSA-N -1 1 353.467 0.639 10 0 FCAEMM O=C(CCc1nc(-c2ccncc2)no1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001318396226 1263568619 /nfs/dbraw/zinc/56/86/19/1263568619.db2.gz RKCPQMZEXBBTCZ-NSHDSACASA-N -1 1 356.346 0.177 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccn(C)n1 ZINC001319637735 1263717145 /nfs/dbraw/zinc/71/71/45/1263717145.db2.gz RNQFYVIGTVUBLP-UHFFFAOYSA-N -1 1 360.418 0.310 10 0 FCAEMM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001320981415 1263891498 /nfs/dbraw/zinc/89/14/98/1263891498.db2.gz LDGRFBMZPQKPBV-UGSOOPFHSA-N -1 1 357.366 0.229 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001500730159 1264085249 /nfs/dbraw/zinc/08/52/49/1264085249.db2.gz SOBGXZWSNDGKPX-DFHBCGBQSA-N -1 1 359.430 0.122 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC001322787224 1264265524 /nfs/dbraw/zinc/26/55/24/1264265524.db2.gz FOKROZSWRRYPEC-GFCCVEGCSA-N -1 1 358.402 0.259 10 0 FCAEMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001513002076 1264824959 /nfs/dbraw/zinc/82/49/59/1264824959.db2.gz SHZQSASDXZYTRJ-UXIGCNINSA-N -1 1 359.382 0.561 10 0 FCAEMM C[C@H]1CSCCN1c1nnc(-c2nnn[n-]2)n1C[C@H]1CCCCO1 ZINC001526378411 1266805938 /nfs/dbraw/zinc/80/59/38/1266805938.db2.gz LVWZYWUHUHJMDF-WDEREUQCSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@H]1CSCCN1c1nnc(-c2nn[n-]n2)n1C[C@H]1CCCCO1 ZINC001526378411 1266805955 /nfs/dbraw/zinc/80/59/55/1266805955.db2.gz LVWZYWUHUHJMDF-WDEREUQCSA-N -1 1 350.452 0.969 10 0 FCAEMM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001528879832 1267003258 /nfs/dbraw/zinc/00/32/58/1267003258.db2.gz OYWOQWYMPVGBDR-VHSXEESVSA-N -1 1 360.340 0.534 10 0 FCAEMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCN2CCOC[C@@]2(CO)C1 ZINC001529083886 1267023369 /nfs/dbraw/zinc/02/33/69/1267023369.db2.gz GGZVFPCKRJQJFC-HNNXBMFYSA-N -1 1 360.332 0.930 10 0 FCAEMM CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001531240579 1267129175 /nfs/dbraw/zinc/12/91/75/1267129175.db2.gz JCCFJRJSOMQWLA-PZROIBLQSA-N -1 1 360.414 0.721 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@]3(C4CCCC4)CCNC3=O)nc2n1 ZINC001533838506 1267241029 /nfs/dbraw/zinc/24/10/29/1267241029.db2.gz CAEDWYGZORKPQS-KRWDZBQOSA-N -1 1 358.402 0.615 10 0 FCAEMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001534695168 1267269760 /nfs/dbraw/zinc/26/97/60/1267269760.db2.gz MOXDBLCNZFFAFB-NXEZZACHSA-N -1 1 358.416 0.895 10 0 FCAEMM CCNC(=O)CN1CCCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001539711732 1267434532 /nfs/dbraw/zinc/43/45/32/1267434532.db2.gz AVMAVEQCUYIHET-UHFFFAOYSA-N -1 1 353.448 0.188 10 0 FCAEMM O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001540706607 1267459858 /nfs/dbraw/zinc/45/98/58/1267459858.db2.gz ZBYPRRYORNAZIP-UHFFFAOYSA-N -1 1 356.338 0.509 10 0 FCAEMM COc1ccc(NC(=O)[C@@]2(C)CCN(C)C2=O)cc1[N-]S(C)(=O)=O ZINC001543122668 1267525218 /nfs/dbraw/zinc/52/52/18/1267525218.db2.gz XMTVYJBLHMUWQZ-OAHLLOKOSA-N -1 1 355.416 0.874 10 0 FCAEMM O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001544938060 1267598783 /nfs/dbraw/zinc/59/87/83/1267598783.db2.gz NSOGAPJVVWHTOO-NSHDSACASA-N -1 1 370.369 0.752 10 0 FCAEMM Cc1c(Br)cnn1CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001544981618 1267600832 /nfs/dbraw/zinc/60/08/32/1267600832.db2.gz DCLXXBDXKDIRPV-UHFFFAOYSA-N -1 1 366.179 0.632 10 0 FCAEMM O=C(COc1ccccc1NC(=O)c1cnncc1[O-])N1CCOCC1 ZINC001545176640 1267607529 /nfs/dbraw/zinc/60/75/29/1267607529.db2.gz ORTCVXUQMHEJTG-UHFFFAOYSA-N -1 1 358.354 0.672 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CC(C)(C)CO2)CC1 ZINC001339493819 1268252366 /nfs/dbraw/zinc/25/23/66/1268252366.db2.gz QQAUUUWPBPTAFM-CQSZACIVSA-N -1 1 356.467 0.145 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](CO)C[C@H](O)c1ccccc1 ZINC001556086750 1268809130 /nfs/dbraw/zinc/80/91/30/1268809130.db2.gz ZOFCYCXGGMSFSK-ZFWWWQNUSA-N -1 1 359.382 0.118 10 0 FCAEMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCNC1=O ZINC001556080506 1268810594 /nfs/dbraw/zinc/81/05/94/1268810594.db2.gz HWUZDBLQDPZMRV-MRXNPFEDSA-N -1 1 367.427 0.641 10 0 FCAEMM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001556185450 1268827698 /nfs/dbraw/zinc/82/76/98/1268827698.db2.gz FSSUVQUIEJMACC-UHFFFAOYSA-N -1 1 369.365 0.973 10 0 FCAEMM CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCc1n[n-]c(=S)o1 ZINC001556283871 1268841405 /nfs/dbraw/zinc/84/14/05/1268841405.db2.gz IIYOJLZETYBAEA-LLVKDONJSA-N -1 1 366.447 0.514 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC001556567461 1268867198 /nfs/dbraw/zinc/86/71/98/1268867198.db2.gz XJCWHIJLBJCLRP-ZJUUUORDSA-N -1 1 361.320 0.536 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCc1ncnn1C ZINC001557209375 1268934029 /nfs/dbraw/zinc/93/40/29/1268934029.db2.gz VASVLLCTNLGXKS-UHFFFAOYSA-N -1 1 367.413 0.973 10 0 FCAEMM CS(=O)(=O)C1(CNC(=O)CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001557515734 1268951016 /nfs/dbraw/zinc/95/10/16/1268951016.db2.gz TXWYTYVTKCEXRD-UHFFFAOYSA-N -1 1 369.443 0.381 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc3ccc(Cl)cn32)co1 ZINC001557592425 1268957162 /nfs/dbraw/zinc/95/71/62/1268957162.db2.gz CJLXBSUHJLGLRJ-UHFFFAOYSA-N -1 1 369.790 0.814 10 0 FCAEMM CC(C)(C)c1nnc2n1CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001557612728 1268961360 /nfs/dbraw/zinc/96/13/60/1268961360.db2.gz IMDIDUMPQJAUMV-UHFFFAOYSA-N -1 1 358.402 0.448 10 0 FCAEMM O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001558025938 1269005651 /nfs/dbraw/zinc/00/56/51/1269005651.db2.gz AMJNPNCIWKQQNE-UHFFFAOYSA-N -1 1 354.370 0.592 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(N2CCCC2)nn1 ZINC001558048228 1269011417 /nfs/dbraw/zinc/01/14/17/1269011417.db2.gz FABMBMFIYQXWGU-UHFFFAOYSA-N -1 1 356.386 0.575 10 0 FCAEMM Cc1cc(=O)c(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1C1CC1 ZINC001558049656 1269013043 /nfs/dbraw/zinc/01/30/43/1269013043.db2.gz VUQRTBLTKUGFKQ-UHFFFAOYSA-N -1 1 356.382 0.990 10 0 FCAEMM Cn1cc(-c2cncc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)c2)cn1 ZINC001558048966 1269013441 /nfs/dbraw/zinc/01/34/41/1269013441.db2.gz MROUAANYQZVTGD-UHFFFAOYSA-N -1 1 366.381 0.980 10 0 FCAEMM O=C(CCNC(=O)c1ccsc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048959 1269013471 /nfs/dbraw/zinc/01/34/71/1269013471.db2.gz MGASRJZCDSZURY-UHFFFAOYSA-N -1 1 362.411 0.753 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001558173299 1269044877 /nfs/dbraw/zinc/04/48/77/1269044877.db2.gz KDRJTGQXFYAXMB-YGRLFVJLSA-N -1 1 371.319 0.506 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3ncccn3)C2)co1 ZINC001558400509 1269084388 /nfs/dbraw/zinc/08/43/88/1269084388.db2.gz NWHAUWQCNUHPGC-NSHDSACASA-N -1 1 350.400 0.998 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001558605494 1269121307 /nfs/dbraw/zinc/12/13/07/1269121307.db2.gz SSPQAQPGRXIGPS-NSHDSACASA-N -1 1 371.459 0.674 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CNC(=O)c2cccc(O)c2)[n-]c1=O ZINC001558703148 1269132930 /nfs/dbraw/zinc/13/29/30/1269132930.db2.gz IPZDWQXWANTVAV-CYBMUJFWSA-N -1 1 372.381 0.990 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001341708214 1269162851 /nfs/dbraw/zinc/16/28/51/1269162851.db2.gz OQEWBISCTOZBTN-AJCYVYAFSA-N -1 1 366.364 0.869 10 0 FCAEMM CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001559519415 1269171047 /nfs/dbraw/zinc/17/10/47/1269171047.db2.gz CCIDQRPKSWPLFM-NSHDSACASA-N -1 1 361.450 0.373 10 0 FCAEMM O=C(NCCCNc1ncccn1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248453 1269459169 /nfs/dbraw/zinc/45/91/69/1269459169.db2.gz VJFYCOUKKNORGH-UHFFFAOYSA-N -1 1 359.390 0.346 10 0 FCAEMM CC(C)[C@@]1(CO)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001565248550 1269459283 /nfs/dbraw/zinc/45/92/83/1269459283.db2.gz XXRVPJQAFCEFTL-KRWDZBQOSA-N -1 1 350.419 0.805 10 0 FCAEMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248612 1269459415 /nfs/dbraw/zinc/45/94/15/1269459415.db2.gz ZNWXYWDEMGHCJU-NXEZZACHSA-N -1 1 372.447 0.218 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCO[C@H](c3nn[n-]n3)C1)C2 ZINC001565614634 1269482710 /nfs/dbraw/zinc/48/27/10/1269482710.db2.gz VWSYYQJMOYGWQU-GUYCJALGSA-N -1 1 357.370 0.580 10 0 FCAEMM CCO[C@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1)C(C)C ZINC001342842340 1269637658 /nfs/dbraw/zinc/63/76/58/1269637658.db2.gz RLRQMSBAQWVQIZ-XPKDYRNWSA-N -1 1 365.430 0.804 10 0 FCAEMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CN1CCCCC(=O)C1=O ZINC001566853329 1269665317 /nfs/dbraw/zinc/66/53/17/1269665317.db2.gz BHFQLWKJFOWMOK-UHFFFAOYSA-N -1 1 371.390 0.717 10 0 FCAEMM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001567422603 1269692734 /nfs/dbraw/zinc/69/27/34/1269692734.db2.gz IIGYHQMADGLLSH-KRWDZBQOSA-N -1 1 368.393 0.525 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@](C)(CNCc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001568028309 1269717727 /nfs/dbraw/zinc/71/77/27/1269717727.db2.gz TUIHHZIGTQMMLK-AHIWAGSCSA-N -1 1 359.434 0.422 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nn(CCCOC)cc2C)co1 ZINC001569279479 1269772424 /nfs/dbraw/zinc/77/24/24/1269772424.db2.gz FGWIUECBFLGUGB-UHFFFAOYSA-N -1 1 356.404 0.981 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCNC(=O)CC1 ZINC001570479248 1269890198 /nfs/dbraw/zinc/89/01/98/1269890198.db2.gz RIZIHLBZGHJJIB-CYBMUJFWSA-N -1 1 355.398 0.880 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(Cc3nnn[n-]3)n1C[C@@H]1CCOC1)C2 ZINC001344192853 1270111552 /nfs/dbraw/zinc/11/15/52/1270111552.db2.gz WNBQWSZNRIULQZ-IINYFYTJSA-N -1 1 366.376 0.654 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(Cc3nn[n-]n3)n1C[C@@H]1CCOC1)C2 ZINC001344192853 1270111555 /nfs/dbraw/zinc/11/15/55/1270111555.db2.gz WNBQWSZNRIULQZ-IINYFYTJSA-N -1 1 366.376 0.654 10 0 FCAEMM CC/C=C(\C)C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001572769965 1270122320 /nfs/dbraw/zinc/12/23/20/1270122320.db2.gz OSNJVMXMJKOKIE-JSGVTYIYSA-N -1 1 370.413 0.447 10 0 FCAEMM O=C(CC1OCCCO1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344266402 1270122862 /nfs/dbraw/zinc/12/28/62/1270122862.db2.gz HDIITWLEEGSSIY-QWHCGFSZSA-N -1 1 363.414 0.955 10 0 FCAEMM Cn1cncc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344297924 1270138428 /nfs/dbraw/zinc/13/84/28/1270138428.db2.gz XYTXAUHFMATKRM-QWHCGFSZSA-N -1 1 357.414 0.778 10 0 FCAEMM CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OCC ZINC001573213150 1270676491 /nfs/dbraw/zinc/67/64/91/1270676491.db2.gz SFCOHHQSZJFHKT-GZBFAFLISA-N -1 1 365.430 0.806 10 0 FCAEMM CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001573587678 1270838256 /nfs/dbraw/zinc/83/82/56/1270838256.db2.gz HPRKWKVXPUWOSP-OLZOCXBDSA-N -1 1 364.446 0.469 10 0 FCAEMM COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001573970654 1270964599 /nfs/dbraw/zinc/96/45/99/1270964599.db2.gz WWZJSIUTPBUIIQ-UMVBOHGHSA-N -1 1 365.430 0.663 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001718122902 1287461334 /nfs/dbraw/zinc/46/13/34/1287461334.db2.gz MVJXRHUBRDAUEU-WFASDCNBSA-N -1 1 365.430 0.806 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ncccc1[O-] ZINC001718213242 1287477399 /nfs/dbraw/zinc/47/73/99/1287477399.db2.gz IIPXTRZLAVQKLY-BZPMIXESSA-N -1 1 361.398 0.048 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)CCN2CCCS2(=O)=O)[n-]1 ZINC001584257451 1282146801 /nfs/dbraw/zinc/14/68/01/1282146801.db2.gz SFCSDEXLUVBPAT-UHFFFAOYSA-N -1 1 357.388 0.368 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(OC[C@@H]2CCCO2)CC1 ZINC001632259818 1282167044 /nfs/dbraw/zinc/16/70/44/1282167044.db2.gz KWMAXZJWSQZZMN-AWEZNQCLSA-N -1 1 363.414 0.704 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(N)c1 ZINC001632365557 1282170469 /nfs/dbraw/zinc/17/04/69/1282170469.db2.gz NVPMUXOVZVFSTB-VIFPVBQESA-N -1 1 352.420 0.451 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)n[n-]1 ZINC001632568082 1282186790 /nfs/dbraw/zinc/18/67/90/1282186790.db2.gz ZZRQTHAOUCPZSS-GARJFASQSA-N -1 1 368.390 0.517 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)[n-]1 ZINC001632568082 1282186796 /nfs/dbraw/zinc/18/67/96/1282186796.db2.gz ZZRQTHAOUCPZSS-GARJFASQSA-N -1 1 368.390 0.517 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)n1 ZINC001632568082 1282186799 /nfs/dbraw/zinc/18/67/99/1282186799.db2.gz ZZRQTHAOUCPZSS-GARJFASQSA-N -1 1 368.390 0.517 10 0 FCAEMM Cn1nc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c2c1CCCC2 ZINC001632571206 1282188060 /nfs/dbraw/zinc/18/80/60/1282188060.db2.gz QADJYRUCYUBYGZ-UHFFFAOYSA-N -1 1 350.400 0.904 10 0 FCAEMM O=C(NCc1nn[n-]n1)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001632594020 1282189764 /nfs/dbraw/zinc/18/97/64/1282189764.db2.gz WWUKEHGABCHQKB-UHFFFAOYSA-N -1 1 365.825 0.527 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC001632647557 1282193855 /nfs/dbraw/zinc/19/38/55/1282193855.db2.gz MZQVAKBVUOGMOO-CYBMUJFWSA-N -1 1 368.319 0.851 10 0 FCAEMM O=C(c1ccc(NCCn2ccnc2)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183063 1282210178 /nfs/dbraw/zinc/21/01/78/1282210178.db2.gz FNDSFNDBSZMNAI-HNNXBMFYSA-N -1 1 368.401 0.722 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001718761758 1287558216 /nfs/dbraw/zinc/55/82/16/1287558216.db2.gz JCJRZYVNMVOALI-QLFBSQMISA-N -1 1 370.409 0.535 10 0 FCAEMM Cn1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c(I)n1 ZINC001633586439 1282256353 /nfs/dbraw/zinc/25/63/53/1282256353.db2.gz GXQYGRPUGISAPK-UHFFFAOYSA-N -1 1 373.158 0.347 10 0 FCAEMM C[C@]1(CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCS(=O)(=O)N1 ZINC001586308520 1282292408 /nfs/dbraw/zinc/29/24/08/1282292408.db2.gz BFKSDQUSAAWNGP-CQSZACIVSA-N -1 1 366.403 0.189 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)o1 ZINC001634019693 1282292395 /nfs/dbraw/zinc/29/23/95/1282292395.db2.gz KDLQKUZWFNDYSV-GFCCVEGCSA-N -1 1 365.411 0.275 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OC)co1 ZINC001634287684 1282316474 /nfs/dbraw/zinc/31/64/74/1282316474.db2.gz CNXIWPVAVOMJCN-GHMZBOCLSA-N -1 1 360.388 0.028 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001586899349 1282319541 /nfs/dbraw/zinc/31/95/41/1282319541.db2.gz RJTWGFXHHQMIBU-GOSISDBHSA-N -1 1 359.382 0.963 10 0 FCAEMM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1c([O-])cccc1Cl ZINC001587010983 1282324036 /nfs/dbraw/zinc/32/40/36/1282324036.db2.gz MHCHOVHWRKKICF-SECBINFHSA-N -1 1 361.803 0.848 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@](C)(CO)Cc1ccccc1F ZINC001634469575 1282333223 /nfs/dbraw/zinc/33/32/23/1282333223.db2.gz SMWYNRDPLPVWTF-MRXNPFEDSA-N -1 1 351.334 0.759 10 0 FCAEMM COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N(C)c2nn[n-]n2)cc1OC ZINC001587340074 1282349683 /nfs/dbraw/zinc/34/96/83/1282349683.db2.gz ZVBVASDFNCFBFJ-MRXNPFEDSA-N -1 1 362.390 0.317 10 0 FCAEMM CCC[C@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001587597625 1282366792 /nfs/dbraw/zinc/36/67/92/1282366792.db2.gz JXCHOGOYSWKFGB-ZBEGNZNMSA-N -1 1 368.438 0.919 10 0 FCAEMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001634984556 1282370117 /nfs/dbraw/zinc/37/01/17/1282370117.db2.gz HHOLISACPXWLNL-NEPJUHHUSA-N -1 1 350.375 0.692 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(-n2cncn2)n1 ZINC001588033614 1282399461 /nfs/dbraw/zinc/39/94/61/1282399461.db2.gz ZRYCXQRCBBDJPL-UHFFFAOYSA-N -1 1 353.342 0.161 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)o1 ZINC001635714116 1282426760 /nfs/dbraw/zinc/42/67/60/1282426760.db2.gz YNYWJMSXSQIGOX-GFCCVEGCSA-N -1 1 366.395 0.756 10 0 FCAEMM O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001636048166 1282455022 /nfs/dbraw/zinc/45/50/22/1282455022.db2.gz QGBUXINGYWEMCZ-VIFPVBQESA-N -1 1 357.399 0.842 10 0 FCAEMM Cc1nc(CS(C)(=O)=O)sc1CC(=O)[N-]O[C@@H](CO)C(C)C ZINC001636274385 1282477616 /nfs/dbraw/zinc/47/76/16/1282477616.db2.gz IJOJBUOTCLBLJB-JTQLQIEISA-N -1 1 350.462 0.603 10 0 FCAEMM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322005 1282485156 /nfs/dbraw/zinc/48/51/56/1282485156.db2.gz KXYKGOPEYWCPGM-GHMZBOCLSA-N -1 1 374.397 0.046 10 0 FCAEMM COC(=O)c1cccc(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001636322484 1282486414 /nfs/dbraw/zinc/48/64/14/1282486414.db2.gz SCZNSECHRVIXBL-UHFFFAOYSA-N -1 1 357.366 0.900 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cncc(N2CCCC2=O)c1 ZINC001636327583 1282486527 /nfs/dbraw/zinc/48/65/27/1282486527.db2.gz TWYFNLZLOMLCRL-UHFFFAOYSA-N -1 1 369.381 0.707 10 0 FCAEMM COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001636429368 1282501339 /nfs/dbraw/zinc/50/13/39/1282501339.db2.gz FWAIEBGWIWCIPE-LBPRGKRZSA-N -1 1 357.395 0.927 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)o1 ZINC001636441224 1282502567 /nfs/dbraw/zinc/50/25/67/1282502567.db2.gz YBYBMFACMCAPDN-UHFFFAOYSA-N -1 1 351.340 0.771 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001636457538 1282504423 /nfs/dbraw/zinc/50/44/23/1282504423.db2.gz CSXIPABLUIZYMZ-HNNXBMFYSA-N -1 1 354.411 0.011 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC001637054905 1282555845 /nfs/dbraw/zinc/55/58/45/1282555845.db2.gz WLYXSSFBUROLPH-UHFFFAOYSA-N -1 1 371.401 0.690 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC001637058494 1282557320 /nfs/dbraw/zinc/55/73/20/1282557320.db2.gz UDPMGEFPVVAQDB-UHFFFAOYSA-N -1 1 356.408 0.140 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCC1N=NC(=S)N1C1CC1 ZINC001638332989 1282686449 /nfs/dbraw/zinc/68/64/49/1282686449.db2.gz DSCDBAVVZBSWLM-UHFFFAOYSA-N -1 1 362.415 0.091 10 0 FCAEMM CC(=O)NC(=Cc1ccccc1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001639431793 1282786749 /nfs/dbraw/zinc/78/67/49/1282786749.db2.gz DCTJADAWFNPKKF-SDNWHVSQSA-N -1 1 356.386 0.187 10 0 FCAEMM Cn1ccc(=O)n(CCCNC(=O)c2c([O-])cnc3c(F)cccc32)c1=O ZINC001640019783 1282832495 /nfs/dbraw/zinc/83/24/95/1282832495.db2.gz INKAPPUHLWUMSM-UHFFFAOYSA-N -1 1 372.356 0.760 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001640681704 1282888396 /nfs/dbraw/zinc/88/83/96/1282888396.db2.gz HPXQSQDRYQMYOI-UHFFFAOYSA-N -1 1 373.456 0.199 10 0 FCAEMM NC(=O)[C@@H]1CCCN1CCCNC(=O)c1ncc(Br)cc1[O-] ZINC001640759928 1282898155 /nfs/dbraw/zinc/89/81/55/1282898155.db2.gz VYHGDCCZJMAWSA-JTQLQIEISA-N -1 1 371.235 0.619 10 0 FCAEMM CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1c([O-])cccc1F ZINC001641032879 1282919805 /nfs/dbraw/zinc/91/98/05/1282919805.db2.gz VHVWSZBSGYDYKD-UHFFFAOYSA-N -1 1 361.395 0.304 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC2CCC3(CC2)OCCO3)n[n-]1 ZINC001641468403 1282954792 /nfs/dbraw/zinc/95/47/92/1282954792.db2.gz UREHWSKLOIDTFS-UHFFFAOYSA-N -1 1 352.391 0.921 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC2CCC3(CC2)OCCO3)n1 ZINC001641468403 1282954807 /nfs/dbraw/zinc/95/48/07/1282954807.db2.gz UREHWSKLOIDTFS-UHFFFAOYSA-N -1 1 352.391 0.921 10 0 FCAEMM CSCC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)c1nn[n-]n1 ZINC001641896430 1282979068 /nfs/dbraw/zinc/97/90/68/1282979068.db2.gz CWVMLGPXXPKRPJ-JTQLQIEISA-N -1 1 372.495 0.820 10 0 FCAEMM CC(C)OC(=O)CCCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001681395601 1283494507 /nfs/dbraw/zinc/49/45/07/1283494507.db2.gz FFIZQTJAMOZMCZ-UHFFFAOYSA-N -1 1 352.391 0.786 10 0 FCAEMM CN(C)c1cccnc1CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001681652821 1283504238 /nfs/dbraw/zinc/50/42/38/1283504238.db2.gz ASTVJYNTLRZNHV-UHFFFAOYSA-N -1 1 358.402 0.715 10 0 FCAEMM COC(=O)C[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@H]1C ZINC001683594520 1284052811 /nfs/dbraw/zinc/05/28/11/1284052811.db2.gz NFAZCFYMRJYSDQ-GHMZBOCLSA-N -1 1 364.402 0.596 10 0 FCAEMM CC(C)C1(O)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001683599504 1284054446 /nfs/dbraw/zinc/05/44/46/1284054446.db2.gz YAWORMGGWJAOKL-UHFFFAOYSA-N -1 1 350.419 0.947 10 0 FCAEMM CC/C=C(\C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001683740344 1284103642 /nfs/dbraw/zinc/10/36/42/1284103642.db2.gz JQOGNWMDFRALMS-UGPRGYMLSA-N -1 1 370.413 0.447 10 0 FCAEMM C[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001702541899 1285712526 /nfs/dbraw/zinc/71/25/26/1285712526.db2.gz WVBITYWWNJOFCW-GRYCIOLGSA-N -1 1 369.443 0.235 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@@H](C)NC(N)=O ZINC001702623419 1285757607 /nfs/dbraw/zinc/75/76/07/1285757607.db2.gz FBLISTIRPVVMCI-GRYCIOLGSA-N -1 1 363.418 0.343 10 0 FCAEMM Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)[nH]1 ZINC001702794338 1285874334 /nfs/dbraw/zinc/87/43/34/1285874334.db2.gz DEDMGGMJWKHHGV-ZYHUDNBSSA-N -1 1 358.402 0.281 10 0 FCAEMM Cc1nc(CC(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n[nH]1 ZINC001702794338 1285874346 /nfs/dbraw/zinc/87/43/46/1285874346.db2.gz DEDMGGMJWKHHGV-ZYHUDNBSSA-N -1 1 358.402 0.281 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702960219 1286022817 /nfs/dbraw/zinc/02/28/17/1286022817.db2.gz QNSWCGPBUNPHDK-DGAVXFQQSA-N -1 1 362.430 0.221 10 0 FCAEMM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001593857440 1286220397 /nfs/dbraw/zinc/22/03/97/1286220397.db2.gz WZGKOBTZLSCFMT-UHFFFAOYSA-N -1 1 364.431 0.290 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493543 1286250193 /nfs/dbraw/zinc/25/01/93/1286250193.db2.gz WZBISQXBEYTQBV-LBPRGKRZSA-N -1 1 359.386 0.815 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493543 1286250198 /nfs/dbraw/zinc/25/01/98/1286250198.db2.gz WZBISQXBEYTQBV-LBPRGKRZSA-N -1 1 359.386 0.815 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493543 1286250205 /nfs/dbraw/zinc/25/02/05/1286250205.db2.gz WZBISQXBEYTQBV-LBPRGKRZSA-N -1 1 359.386 0.815 10 0 FCAEMM CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001704461847 1286253523 /nfs/dbraw/zinc/25/35/23/1286253523.db2.gz AIEGBIKLOPNWEJ-XQQFMLRXSA-N -1 1 360.414 0.362 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1)c1nn[n-]n1 ZINC001595889463 1286268184 /nfs/dbraw/zinc/26/81/84/1286268184.db2.gz PTJKUYLFQNOSJH-GFCCVEGCSA-N -1 1 351.388 0.253 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)o1 ZINC001596342844 1286297353 /nfs/dbraw/zinc/29/73/53/1286297353.db2.gz MVBFRRGTTGZABJ-HNNXBMFYSA-N -1 1 371.415 0.538 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)[C@@H]([C@@H]2CCCO2)C1 ZINC001597116395 1286329227 /nfs/dbraw/zinc/32/92/27/1286329227.db2.gz CMFQQYPXFJUXLI-UPJWGTAASA-N -1 1 351.407 0.482 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)C2CCN(S(C)(=O)=O)CC2)[n-]c1=O ZINC001597274576 1286335841 /nfs/dbraw/zinc/33/58/41/1286335841.db2.gz CAHADLCDUXIMCC-UHFFFAOYSA-N -1 1 372.447 0.214 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CCN2C(=O)CCNC2=S)[n-]c1=O ZINC001597281820 1286336132 /nfs/dbraw/zinc/33/61/32/1286336132.db2.gz RYFPVSBRDOPNKO-UHFFFAOYSA-N -1 1 367.431 0.039 10 0 FCAEMM O=C(CC(F)(F)C(F)F)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001735962085 1289091590 /nfs/dbraw/zinc/09/15/90/1289091590.db2.gz OLOVIPBRMHXMQK-APPZFPTMSA-N -1 1 365.283 0.379 10 0 FCAEMM C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001719165066 1287818160 /nfs/dbraw/zinc/81/81/60/1287818160.db2.gz SPAGBUCUUWWWSG-DGCLKSJQSA-N -1 1 360.414 0.280 10 0 FCAEMM CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001719509640 1288160215 /nfs/dbraw/zinc/16/02/15/1288160215.db2.gz OQZPLWBBWWWPHM-KGLIPLIRSA-N -1 1 364.446 0.470 10 0 FCAEMM O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001721755324 1288374476 /nfs/dbraw/zinc/37/44/76/1288374476.db2.gz HQBSSFBISGTLCK-RWMBFGLXSA-N -1 1 361.423 0.859 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(=O)NCC1CC1 ZINC001736192411 1289192527 /nfs/dbraw/zinc/19/25/27/1289192527.db2.gz ZPYGGZOLOLYIGG-QWHCGFSZSA-N -1 1 360.414 0.423 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CNC(=O)C=C1CCC1 ZINC001736360423 1289279755 /nfs/dbraw/zinc/27/97/55/1289279755.db2.gz QTXXGQCCRMIQLC-DGCLKSJQSA-N -1 1 370.413 0.352 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC001611447130 1289649981 /nfs/dbraw/zinc/64/99/81/1289649981.db2.gz DJATXCOWNFQIIC-MDZLAQPJSA-N -1 1 372.443 0.890 10 0 FCAEMM O=C(C[C@H]1CCC2(CCOCC2)CO1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616141710 1289768505 /nfs/dbraw/zinc/76/85/05/1289768505.db2.gz CYCHHYXOMWUJFC-CHWSQXEVSA-N -1 1 351.407 0.466 10 0 FCAEMM C[C@@H]1[C@@H](CCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)[C@H](C)Nc2ccnn21 ZINC001617703692 1289858239 /nfs/dbraw/zinc/85/82/39/1289858239.db2.gz UNRQADYLKVONLP-XQQFMLRXSA-N -1 1 374.449 0.678 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001617899613 1289870832 /nfs/dbraw/zinc/87/08/32/1289870832.db2.gz BYPHQENPXNXJDF-WBMJQRKESA-N -1 1 363.414 0.201 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001618510107 1289915728 /nfs/dbraw/zinc/91/57/28/1289915728.db2.gz BNBUAXJHNJTNNR-OAHLLOKOSA-N -1 1 370.409 0.348 10 0 FCAEMM CC[C@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001739428757 1289967232 /nfs/dbraw/zinc/96/72/32/1289967232.db2.gz MOGZQZRNUYEYJE-CKYFFXLPSA-N -1 1 357.357 0.770 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCNC(=O)c1ccccc1F ZINC001620975293 1290023439 /nfs/dbraw/zinc/02/34/39/1290023439.db2.gz NIILBLNVFBEDRI-UHFFFAOYSA-N -1 1 362.361 0.002 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCc2nn[n-]n2)C1 ZINC001624266983 1290262734 /nfs/dbraw/zinc/26/27/34/1290262734.db2.gz ZHTZZNLTUGTTIJ-VIFPVBQESA-N -1 1 360.365 0.893 10 0 FCAEMM CN(C)C(=O)O[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001624496304 1290276129 /nfs/dbraw/zinc/27/61/29/1290276129.db2.gz ZBLMFPQWHIZTSB-NSHDSACASA-N -1 1 350.375 0.206 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1nc(N(C)C)ncc1Br)c1nn[n-]n1 ZINC001624667945 1290286117 /nfs/dbraw/zinc/28/61/17/1290286117.db2.gz RROFZZQFQOQGRH-ZETCQYMHSA-N -1 1 369.227 0.694 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC001624931118 1290305943 /nfs/dbraw/zinc/30/59/43/1290305943.db2.gz LHUKIVHSVHHUEO-UHFFFAOYSA-N -1 1 364.431 0.294 10 0 FCAEMM C[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001624942383 1290308415 /nfs/dbraw/zinc/30/84/15/1290308415.db2.gz KTNHWJMLIKEABI-NSHDSACASA-N -1 1 358.402 0.667 10 0 FCAEMM COc1ccc(C(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)cc1OC ZINC001624940393 1290308521 /nfs/dbraw/zinc/30/85/21/1290308521.db2.gz MIIQAHYYCLOJCS-UHFFFAOYSA-N -1 1 374.401 0.134 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\CN2CCOCC2)c1 ZINC001625729986 1290361833 /nfs/dbraw/zinc/36/18/33/1290361833.db2.gz IKZGYTFDYCEWPW-IHWYPQMZSA-N -1 1 355.416 0.127 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC001626328631 1290390321 /nfs/dbraw/zinc/39/03/21/1290390321.db2.gz QOUQXUBCDIVVKC-IUODEOHRSA-N -1 1 358.398 0.291 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(C2)CNC(=O)O3)o1 ZINC001626938397 1290427168 /nfs/dbraw/zinc/42/71/68/1290427168.db2.gz QRACOZDLKKZGTF-UHFFFAOYSA-N -1 1 357.388 0.291 10 0 FCAEMM C[C@@H]1[C@H](CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)[C@H](C)Nc2ccnn21 ZINC001627166227 1290442906 /nfs/dbraw/zinc/44/29/06/1290442906.db2.gz ZORLRLJGLHDKHJ-UMSGYPCISA-N -1 1 360.422 0.768 10 0 FCAEMM CCOCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001739984486 1290459079 /nfs/dbraw/zinc/45/90/79/1290459079.db2.gz ALTUDTYPPKDNRI-GDBMZVCRSA-N -1 1 357.414 0.956 10 0 FCAEMM CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001740098426 1290490856 /nfs/dbraw/zinc/49/08/56/1290490856.db2.gz PIBPXHGODDXXTB-MNOVXSKESA-N -1 1 360.418 0.573 10 0 FCAEMM COC(=O)[C@]1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCOC1 ZINC001628012951 1290502476 /nfs/dbraw/zinc/50/24/76/1290502476.db2.gz RFBCZAFFGVWLHH-KRWDZBQOSA-N -1 1 362.386 0.290 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC001628040323 1290503628 /nfs/dbraw/zinc/50/36/28/1290503628.db2.gz ZCELUUYIMPXBBE-LLVKDONJSA-N -1 1 350.379 0.812 10 0 FCAEMM COCCOCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001740209781 1290516136 /nfs/dbraw/zinc/51/61/36/1290516136.db2.gz RONCGVXZKVFWQD-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)CCc3nn[n-]n3)CC[C@@H]21 ZINC001628526774 1290540251 /nfs/dbraw/zinc/54/02/51/1290540251.db2.gz ZLQACRHJLHPHEO-RYUDHWBXSA-N -1 1 350.423 0.990 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001740375540 1290547097 /nfs/dbraw/zinc/54/70/97/1290547097.db2.gz XWTSJCGDEDTGEA-UPJWGTAASA-N -1 1 360.414 0.564 10 0 FCAEMM Cc1csc(CC2(O)CCN(C(=O)CCCc3nn[n-]n3)CC2)n1 ZINC001629133302 1290580077 /nfs/dbraw/zinc/58/00/77/1290580077.db2.gz RJNIYWYGZQSWTK-UHFFFAOYSA-N -1 1 350.448 0.884 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC001629164800 1290582050 /nfs/dbraw/zinc/58/20/50/1290582050.db2.gz FDYKHZCRDZDZPR-SNVBAGLBSA-N -1 1 365.191 0.426 10 0 FCAEMM CCOC(=O)Cc1cnc(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)s1 ZINC001629826102 1290627537 /nfs/dbraw/zinc/62/75/37/1290627537.db2.gz XWMCPLJBTTWKOZ-UHFFFAOYSA-N -1 1 366.399 0.152 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCNC(=O)CC1 ZINC001631428403 1290729250 /nfs/dbraw/zinc/72/92/50/1290729250.db2.gz NHTTZYHONUMXMQ-JTQLQIEISA-N -1 1 367.427 0.688 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(-n2ccnn2)c1 ZINC001643244813 1290867288 /nfs/dbraw/zinc/86/72/88/1290867288.db2.gz VSGHWIIFPMNOLG-UHFFFAOYSA-N -1 1 352.354 0.766 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001643386389 1290881837 /nfs/dbraw/zinc/88/18/37/1290881837.db2.gz AEZYRYBBYXDGSE-KTRBRXNASA-N -1 1 356.386 0.397 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)C1 ZINC001643391000 1290883570 /nfs/dbraw/zinc/88/35/70/1290883570.db2.gz JXOCIDAPVNFJSZ-BZNIZROVSA-N -1 1 366.422 0.278 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cc1ccccc1NS(C)(=O)=O ZINC001643824156 1290917363 /nfs/dbraw/zinc/91/73/63/1290917363.db2.gz RYTIEIMRVUZFQT-UHFFFAOYSA-N -1 1 366.447 0.799 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001643871731 1290921632 /nfs/dbraw/zinc/92/16/32/1290921632.db2.gz QGBSXJZBLRQTBI-UHFFFAOYSA-N -1 1 350.404 0.307 10 0 FCAEMM COc1cccc2c(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)cnn21 ZINC001644159695 1290944219 /nfs/dbraw/zinc/94/42/19/1290944219.db2.gz HAEFVIZPYCVOLS-UHFFFAOYSA-N -1 1 355.354 0.841 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1[nH]ncc1I ZINC001644748397 1290981079 /nfs/dbraw/zinc/98/10/79/1290981079.db2.gz HANPVRXFVGHIBA-UHFFFAOYSA-N -1 1 359.131 0.337 10 0 FCAEMM Cn1ccn2c(CCNC(=O)Cc3ccc([O-])c(Cl)c3)nnc2c1=O ZINC001644862986 1290989867 /nfs/dbraw/zinc/98/98/67/1290989867.db2.gz PVKQFWOGPRIOJW-UHFFFAOYSA-N -1 1 361.789 0.688 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001644861795 1290989874 /nfs/dbraw/zinc/98/98/74/1290989874.db2.gz IKTFJNDVVDELPK-SECBINFHSA-N -1 1 351.750 0.676 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](CCSC)c2nn[n-]n2)C1 ZINC001646037892 1291055760 /nfs/dbraw/zinc/05/57/60/1291055760.db2.gz XMBVSEWPIBHQOJ-AXFHLTTASA-N -1 1 357.436 0.468 10 0 FCAEMM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)c1nn(C)cc1[O-] ZINC001648329103 1291118708 /nfs/dbraw/zinc/11/87/08/1291118708.db2.gz LOMHRKSNVWMDRY-VIFPVBQESA-N -1 1 368.415 0.573 10 0 FCAEMM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1=NN(C)CC1=O ZINC001648329103 1291118712 /nfs/dbraw/zinc/11/87/12/1291118712.db2.gz LOMHRKSNVWMDRY-VIFPVBQESA-N -1 1 368.415 0.573 10 0 FCAEMM CC(=O)NCc1cccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001650749652 1291177831 /nfs/dbraw/zinc/17/78/31/1291177831.db2.gz ZTDGLGWOPYRNSF-UHFFFAOYSA-N -1 1 356.382 0.821 10 0 FCAEMM O=C(Cc1ccc(-n2cnnc2)cc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650747952 1291178055 /nfs/dbraw/zinc/17/80/55/1291178055.db2.gz BKJUJNJOKGLQEI-UHFFFAOYSA-N -1 1 366.381 0.695 10 0 FCAEMM Cn1ccn2c(CNC(=O)c3ccc4ccc(O)cc4c3[O-])nnc2c1=O ZINC001651144147 1291198543 /nfs/dbraw/zinc/19/85/43/1291198543.db2.gz BWWARMGHKWENCQ-UHFFFAOYSA-N -1 1 365.349 0.922 10 0 FCAEMM COC[C@@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001651846618 1291242257 /nfs/dbraw/zinc/24/22/57/1291242257.db2.gz IVDXMHNIZHRWIP-GFCCVEGCSA-N -1 1 366.422 0.961 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1nn[n-]n1 ZINC001651846874 1291242913 /nfs/dbraw/zinc/24/29/13/1291242913.db2.gz PSXLABACUXGJPY-QCNOEVLYSA-N -1 1 366.422 0.506 10 0 FCAEMM NC(=O)N[C@@H](CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)c1cccs1 ZINC001651874312 1291247821 /nfs/dbraw/zinc/24/78/21/1291247821.db2.gz KQBQGBURXKFQCF-MNOVXSKESA-N -1 1 363.447 0.842 10 0 FCAEMM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001652600986 1291287516 /nfs/dbraw/zinc/28/75/16/1291287516.db2.gz LOOLVHUOTFXKKR-AWEZNQCLSA-N -1 1 372.303 0.486 10 0 FCAEMM COCC(=O)N(C)CC(=O)NC1(c2ncc(OC)c(=O)[n-]2)CCCC1 ZINC001652805839 1291300730 /nfs/dbraw/zinc/30/07/30/1291300730.db2.gz VXISYAOIYDZQSF-UHFFFAOYSA-N -1 1 352.391 0.181 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@](C)(O)C2CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656700025 1291553450 /nfs/dbraw/zinc/55/34/50/1291553450.db2.gz GCCJAUXJRNINHZ-AHIWAGSCSA-N -1 1 351.451 0.129 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656711044 1291555990 /nfs/dbraw/zinc/55/59/90/1291555990.db2.gz GAMBVPZAJNAMFV-UONOGXRCSA-N -1 1 351.451 0.394 10 0 FCAEMM C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001657033434 1291589588 /nfs/dbraw/zinc/58/95/88/1291589588.db2.gz RVVHBWZFSXEXHC-IPYPFGDCSA-N -1 1 359.430 0.655 10 0 FCAEMM O=C(NC[C@@]1(O)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001672029825 1292060193 /nfs/dbraw/zinc/06/01/93/1292060193.db2.gz KQBFNCGTQGWLHD-KHYOSLBOSA-N -1 1 371.441 0.122 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H]1CCCCS1(=O)=O ZINC001679412734 1292303238 /nfs/dbraw/zinc/30/32/38/1292303238.db2.gz OTVNQNDMPDJDHS-SNVBAGLBSA-N -1 1 370.431 0.021 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](O)c1cccc(F)c1 ZINC001684867690 1292347329 /nfs/dbraw/zinc/34/73/29/1292347329.db2.gz AVBVMADZSVCTDG-CQSZACIVSA-N -1 1 362.361 0.927 10 0 FCAEMM CCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001685866408 1292668009 /nfs/dbraw/zinc/66/80/09/1292668009.db2.gz ALRRPDQPRIMSPR-ZIAGYGMSSA-N -1 1 364.446 0.328 10 0 FCAEMM COc1cc(=NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)[n-]n1C ZINC000392075973 836058958 /nfs/dbraw/zinc/05/89/58/836058958.db2.gz AVTRUHSTTQMABM-UHFFFAOYSA-N -1 1 363.392 0.194 10 0 FCAEMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000746884568 836201449 /nfs/dbraw/zinc/20/14/49/836201449.db2.gz KKMCGJHQJFZSQS-QMMMGPOBSA-N -1 1 361.424 0.650 10 0 FCAEMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000746884568 836201452 /nfs/dbraw/zinc/20/14/52/836201452.db2.gz KKMCGJHQJFZSQS-QMMMGPOBSA-N -1 1 361.424 0.650 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747620829 836252657 /nfs/dbraw/zinc/25/26/57/836252657.db2.gz HTOYJAKCTDUMRU-UHFFFAOYSA-N -1 1 366.399 0.815 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(-c3nnn[n-]3)n1C[C@@H]1CCOC1)C2 ZINC001123122795 848570866 /nfs/dbraw/zinc/57/08/66/848570866.db2.gz MFZRBEPYELIQHH-TVQRCGJNSA-N -1 1 352.349 0.730 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(-c3nn[n-]n3)n1C[C@@H]1CCOC1)C2 ZINC001123122795 848570873 /nfs/dbraw/zinc/57/08/73/848570873.db2.gz MFZRBEPYELIQHH-TVQRCGJNSA-N -1 1 352.349 0.730 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CS(=O)(=O)CCOC)[n-]c1Cl ZINC001133885365 849160942 /nfs/dbraw/zinc/16/09/42/849160942.db2.gz JOWRURXBPPGRBI-UHFFFAOYSA-N -1 1 353.784 0.240 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001136114472 849206916 /nfs/dbraw/zinc/20/69/16/849206916.db2.gz GAWUAQSJLJLEIF-UHFFFAOYSA-N -1 1 366.443 0.490 10 0 FCAEMM COc1ccc(NC(=O)C2=CCS(=O)(=O)C2)cc1[N-]S(C)(=O)=O ZINC001136149757 849208546 /nfs/dbraw/zinc/20/85/46/849208546.db2.gz XWPYACOQGZVSHT-UHFFFAOYSA-N -1 1 360.413 0.360 10 0 FCAEMM Cc1ccc(NC(=O)CCc2nn[n-]n2)cc1N1CCCS1(=O)=O ZINC001136870352 849245830 /nfs/dbraw/zinc/24/58/30/849245830.db2.gz AIJYVXZXSBAFHB-UHFFFAOYSA-N -1 1 350.404 0.619 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001137822147 849286412 /nfs/dbraw/zinc/28/64/12/849286412.db2.gz LERARKSDDCCXMT-GUYCJALGSA-N -1 1 367.423 0.979 10 0 FCAEMM Cc1oc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1S(C)(=O)=O ZINC001138438486 849310770 /nfs/dbraw/zinc/31/07/70/849310770.db2.gz UTNLFHXSYCVAOA-MRVPVSSYSA-N -1 1 357.417 0.435 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NN3CCS(=O)(=O)CC3)c2)o1 ZINC001167259583 850538473 /nfs/dbraw/zinc/53/84/73/850538473.db2.gz AJNIZHVCHAMNQY-UHFFFAOYSA-N -1 1 364.379 0.840 10 0 FCAEMM CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1nn[n-]n1 ZINC001168359155 850583599 /nfs/dbraw/zinc/58/35/99/850583599.db2.gz OMJUYKKGAOCUCD-UHFFFAOYSA-N -1 1 365.350 0.744 10 0 FCAEMM COc1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)nc1Br ZINC001170382532 850652241 /nfs/dbraw/zinc/65/22/41/850652241.db2.gz IQRVFLBBVVPNTH-QMMMGPOBSA-N -1 1 369.179 0.580 10 0 FCAEMM COCCn1cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c(=O)[nH]c1=O ZINC001175592148 850768571 /nfs/dbraw/zinc/76/85/71/850768571.db2.gz AFZTZJWCMQLDFN-UHFFFAOYSA-N -1 1 367.789 0.813 10 0 FCAEMM COC[C@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1nn[n-]n1 ZINC001177829122 850871190 /nfs/dbraw/zinc/87/11/90/850871190.db2.gz VZIUVBLJCPDQMB-VIFPVBQESA-N -1 1 366.179 0.956 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)o1 ZINC001179557428 850982628 /nfs/dbraw/zinc/98/26/28/850982628.db2.gz MNDMUZLMIQTORN-SNVBAGLBSA-N -1 1 357.388 0.148 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@H]2CCS(=O)(=O)C2)[n-]c1=O ZINC001180053847 851010283 /nfs/dbraw/zinc/01/02/83/851010283.db2.gz IHBVEPOZELYWLR-MNOVXSKESA-N -1 1 355.416 0.679 10 0 FCAEMM O=c1[n-]c(CN2CCOC3(CCS(=O)(=O)CC3)C2)nc2c1COCC2 ZINC001198733206 853309192 /nfs/dbraw/zinc/30/91/92/853309192.db2.gz XNRFIEPXXBMHOP-UHFFFAOYSA-N -1 1 369.443 0.035 10 0 FCAEMM C[C@H](CO)C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001254497280 857975043 /nfs/dbraw/zinc/97/50/43/857975043.db2.gz SKVSKUHXWIGSOE-LLVKDONJSA-N -1 1 350.419 0.805 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NC[C@@]2(OCCO)CCOC2)c(=O)[n-]1 ZINC001261750767 858656864 /nfs/dbraw/zinc/65/68/64/858656864.db2.gz IDBHPTLWSANNCK-INIZCTEOSA-N -1 1 371.459 0.429 10 0 FCAEMM COC[C@@]1(C(=O)[O-])CCN(CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001261893991 858702337 /nfs/dbraw/zinc/70/23/37/858702337.db2.gz IFCHFRLBMKMWDW-MRXNPFEDSA-N -1 1 357.428 0.892 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001263911357 859237286 /nfs/dbraw/zinc/23/72/86/859237286.db2.gz GWIPEMCQZKCEGL-NEPJUHHUSA-N -1 1 352.464 0.682 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)OCC(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264047246 859285456 /nfs/dbraw/zinc/28/54/56/859285456.db2.gz ZBRQXXNNCBBRQR-MELADBBJSA-N -1 1 353.467 0.639 10 0 FCAEMM COCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1C ZINC001281735292 863689920 /nfs/dbraw/zinc/68/99/20/863689920.db2.gz CIDSRBCQYQTKNI-ZYHUDNBSSA-N -1 1 350.419 0.837 10 0 FCAEMM C[S@](=O)CCN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001293790180 865807298 /nfs/dbraw/zinc/80/72/98/865807298.db2.gz SGINWNWWBJIJCL-QHCPKHFHSA-N -1 1 353.473 0.154 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001294908015 865863090 /nfs/dbraw/zinc/86/30/90/865863090.db2.gz SISHOAJDMFVBEQ-UHFFFAOYSA-N -1 1 368.459 0.563 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H](CO)CC1CCOCC1 ZINC001297175808 866011734 /nfs/dbraw/zinc/01/17/34/866011734.db2.gz LPCXAKSUMQKEHW-CYBMUJFWSA-N -1 1 351.403 0.058 10 0 FCAEMM Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C2 ZINC001297646331 866046068 /nfs/dbraw/zinc/04/60/68/866046068.db2.gz OMGWNTKNNPSMDU-JTQLQIEISA-N -1 1 363.443 0.564 10 0 FCAEMM CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)CCc2nn[n-]n2)C1 ZINC001297801202 866061650 /nfs/dbraw/zinc/06/16/50/866061650.db2.gz XYCCPRHTNLBNBM-NSHDSACASA-N -1 1 354.411 0.275 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(=O)c2ccsc2)n[n-]1 ZINC001300601865 866229713 /nfs/dbraw/zinc/22/97/13/866229713.db2.gz JYDZMUKFHQLZAZ-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(=O)c2ccsc2)[n-]1 ZINC001300601865 866229737 /nfs/dbraw/zinc/22/97/37/866229737.db2.gz JYDZMUKFHQLZAZ-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(=O)c2ccsc2)n1 ZINC001300601865 866229753 /nfs/dbraw/zinc/22/97/53/866229753.db2.gz JYDZMUKFHQLZAZ-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM COc1ccc(C(=O)C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1Cl ZINC001302137065 866311528 /nfs/dbraw/zinc/31/15/28/866311528.db2.gz IULYQAVVGZKNPK-JTQLQIEISA-N -1 1 351.750 0.645 10 0 FCAEMM Cn1cc(CNC(=O)c2ccc(Br)cc2[O-])c(=O)[nH]c1=O ZINC001302802861 866354291 /nfs/dbraw/zinc/35/42/91/866354291.db2.gz PYLZYUGDSHLIKF-UHFFFAOYSA-N -1 1 354.160 0.884 10 0 FCAEMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)CO1 ZINC001350612987 866643518 /nfs/dbraw/zinc/64/35/18/866643518.db2.gz WGPLNSCGXHSYMT-JKSUJKDBSA-N -1 1 354.447 0.827 10 0 FCAEMM C[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)c1cnn(C)c1 ZINC001351156720 866795519 /nfs/dbraw/zinc/79/55/19/866795519.db2.gz VMFBCBOFYFPHJU-SECBINFHSA-N -1 1 352.341 0.940 10 0 FCAEMM CC(=O)N1CCC([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC001351794047 866971456 /nfs/dbraw/zinc/97/14/56/866971456.db2.gz INPPNUZSLADNMN-UHFFFAOYSA-N -1 1 354.354 0.728 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)n1 ZINC001352793980 867255796 /nfs/dbraw/zinc/25/57/96/867255796.db2.gz QIECHYIZSMERDG-MRVPVSSYSA-N -1 1 354.212 0.791 10 0 FCAEMM COc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cnn1-c1ccccc1 ZINC001320655650 868234200 /nfs/dbraw/zinc/23/42/00/868234200.db2.gz CBXUOPZGCNVLQV-UHFFFAOYSA-N -1 1 362.371 0.655 10 0 FCAEMM COc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cnn1-c1ccccc1 ZINC001320655650 868234215 /nfs/dbraw/zinc/23/42/15/868234215.db2.gz CBXUOPZGCNVLQV-UHFFFAOYSA-N -1 1 362.371 0.655 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C)o1 ZINC001325832448 870052451 /nfs/dbraw/zinc/05/24/51/870052451.db2.gz DSTQSICLTCBFNL-UHFFFAOYSA-N -1 1 360.388 0.156 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cnc(Cl)cc1Cl ZINC001327089723 870663800 /nfs/dbraw/zinc/66/38/00/870663800.db2.gz LJXGRLSYBXJWED-GFCCVEGCSA-N -1 1 371.242 0.835 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001328807509 871637852 /nfs/dbraw/zinc/63/78/52/871637852.db2.gz VYEYMGQBTKWRLM-LPEHRKFASA-N -1 1 365.312 0.084 10 0 FCAEMM O=C([N-]CC1CCN(C(=O)c2cn3c(n2)COCC3)CC1)C(F)(F)F ZINC001329046314 871794857 /nfs/dbraw/zinc/79/48/57/871794857.db2.gz BOVQAPWCJUWDCE-UHFFFAOYSA-N -1 1 360.336 0.944 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCO[C@@H](CC(N)=O)C2)c(=O)[n-]1 ZINC001329134727 871839893 /nfs/dbraw/zinc/83/98/93/871839893.db2.gz JNMCRTMTJUUOFM-JTQLQIEISA-N -1 1 354.432 0.248 10 0 FCAEMM COCCCN(C)c1nnc(-c2cc(S(N)(=O)=O)ccc2[O-])n1C ZINC001347024196 872122508 /nfs/dbraw/zinc/12/25/08/872122508.db2.gz RMVKEOORIGKXIE-UHFFFAOYSA-N -1 1 355.420 0.308 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(Cc3nccn3CC(F)(F)F)CC2)CCOC1 ZINC001330164925 872501778 /nfs/dbraw/zinc/50/17/78/872501778.db2.gz CJXVAFMHJATKNS-AWEZNQCLSA-N -1 1 362.352 0.807 10 0 FCAEMM C[C@]1(C(F)F)CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001348060302 872587851 /nfs/dbraw/zinc/58/78/51/872587851.db2.gz HRUBWIOCRSSLCM-CQSZACIVSA-N -1 1 354.365 0.652 10 0 FCAEMM C[C@]1(C(F)F)CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001348060302 872587859 /nfs/dbraw/zinc/58/78/59/872587859.db2.gz HRUBWIOCRSSLCM-CQSZACIVSA-N -1 1 354.365 0.652 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(CC(F)(F)F)C2)o1 ZINC001332824621 873676144 /nfs/dbraw/zinc/67/61/44/873676144.db2.gz KBLUVUYDRTZYOS-UHFFFAOYSA-N -1 1 369.321 0.068 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cncc(-c2nncn2C)c1)[C@H]1CCOC1 ZINC001333146262 873822753 /nfs/dbraw/zinc/82/27/53/873822753.db2.gz WJSFAQIRBYKUHR-FZMZJTMJSA-N -1 1 367.431 0.670 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H](O)c2cnn(C)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292421460 214099359 /nfs/dbraw/zinc/09/93/59/214099359.db2.gz WMWXOQFJAJCWER-QSFUFRPTSA-N -1 1 362.352 0.758 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1 ZINC000293610202 214187180 /nfs/dbraw/zinc/18/71/80/214187180.db2.gz VNERXPWFHUWSHH-JTQLQIEISA-N -1 1 357.310 0.049 10 0 FCAEMM O=c1nc([C@H]2CCCN(S(=O)(=O)CCOCc3ccccc3)C2)[nH][n-]1 ZINC000295969145 214326562 /nfs/dbraw/zinc/32/65/62/214326562.db2.gz KJLZNZDOJLTKBW-AWEZNQCLSA-N -1 1 366.443 0.824 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000296916290 214369431 /nfs/dbraw/zinc/36/94/31/214369431.db2.gz KNAJNXPCMQTNEJ-CQSZACIVSA-N -1 1 363.395 0.903 10 0 FCAEMM CCNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000285640940 213370143 /nfs/dbraw/zinc/37/01/43/213370143.db2.gz FWLUTSHBFNGWNS-LLVKDONJSA-N -1 1 357.432 0.709 10 0 FCAEMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000284991763 213261802 /nfs/dbraw/zinc/26/18/02/213261802.db2.gz MTBFIAWFGYLAKV-JKSUJKDBSA-N -1 1 367.471 0.912 10 0 FCAEMM O=C(N[C@H]1CCCc2c1cnn2CCO)c1nc2ccccc2c(=O)[n-]1 ZINC000368759162 216292981 /nfs/dbraw/zinc/29/29/81/216292981.db2.gz UAQSODHLDIUWDA-AWEZNQCLSA-N -1 1 353.382 0.919 10 0 FCAEMM O=C(CN1CCOCC1=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000369073831 216345063 /nfs/dbraw/zinc/34/50/63/216345063.db2.gz DNXRPJLTAYJITN-ZDUSSCGKSA-N -1 1 368.756 0.057 10 0 FCAEMM Cc1cc(N2CCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CC2)n[nH]1 ZINC000189708844 209257317 /nfs/dbraw/zinc/25/73/17/209257317.db2.gz YTEQXMZVSWMIPR-UHFFFAOYSA-N -1 1 369.429 0.562 10 0 FCAEMM CC1=C(C(=O)[O-])N[C@@H]([C@@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)SC1 ZINC000103544449 209254194 /nfs/dbraw/zinc/25/41/94/209254194.db2.gz JJUQRQMFNIGCFS-VHRBIJSZSA-N -1 1 365.411 0.277 10 0 in-vitro FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000276236428 212192375 /nfs/dbraw/zinc/19/23/75/212192375.db2.gz TYUBTLAFZOQNCL-COLVAYQJSA-N -1 1 355.412 0.932 10 0 FCAEMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cnc([O-])n(C)c3=O)C1)CCCC2 ZINC000275451994 212028669 /nfs/dbraw/zinc/02/86/69/212028669.db2.gz FFKNUUAXVWMWIC-GFCCVEGCSA-N -1 1 357.414 0.957 10 0 FCAEMM CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1 ZINC000275314067 212006212 /nfs/dbraw/zinc/00/62/12/212006212.db2.gz OJIMOKJUEGZRKF-UHFFFAOYSA-N -1 1 369.443 0.816 10 0 FCAEMM CCC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275314067 212006216 /nfs/dbraw/zinc/00/62/16/212006216.db2.gz OJIMOKJUEGZRKF-UHFFFAOYSA-N -1 1 369.443 0.816 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)C(=O)[O-] ZINC000424488074 247235972 /nfs/dbraw/zinc/23/59/72/247235972.db2.gz LPAVZBURKJBWCL-HIFRSBDPSA-N -1 1 353.463 0.983 10 0 FCAEMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cccc1S(N)(=O)=O ZINC000425327680 247325191 /nfs/dbraw/zinc/32/51/91/247325191.db2.gz WCIVKSSVNFXXMM-UHFFFAOYSA-N -1 1 366.399 0.751 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnc(OCC(F)(F)F)c2)n1 ZINC000439145656 248111043 /nfs/dbraw/zinc/11/10/43/248111043.db2.gz JNMDYQLKGPFKBW-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccnc(OCC(F)(F)F)c2)[n-]1 ZINC000439145656 248111047 /nfs/dbraw/zinc/11/10/47/248111047.db2.gz JNMDYQLKGPFKBW-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000442755400 248295215 /nfs/dbraw/zinc/29/52/15/248295215.db2.gz XXTZLFPZGPMAQW-SNVBAGLBSA-N -1 1 350.322 0.846 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)OC)c1ccc(OC)cc1OC ZINC000443045643 248305263 /nfs/dbraw/zinc/30/52/63/248305263.db2.gz RPESXCUIBCEPAS-HZMBPMFUSA-N -1 1 361.416 0.872 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1c(C)nn(C)c1C ZINC000443240619 248314334 /nfs/dbraw/zinc/31/43/34/248314334.db2.gz AXQDKNGTGMSMMA-VIFPVBQESA-N -1 1 369.447 0.846 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)Cc1c(C)nn(C)c1C ZINC000443240613 248314911 /nfs/dbraw/zinc/31/49/11/248314911.db2.gz AXQDKNGTGMSMMA-SECBINFHSA-N -1 1 369.447 0.846 10 0 FCAEMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444292345 248354159 /nfs/dbraw/zinc/35/41/59/248354159.db2.gz WTJYFSJEOAMATB-XHDPSFHLSA-N -1 1 365.448 0.606 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCCO1 ZINC000270676152 211246017 /nfs/dbraw/zinc/24/60/17/211246017.db2.gz XJSMFKCYAUAOKO-AWEZNQCLSA-N -1 1 356.400 0.531 10 0 FCAEMM O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NC1(c2nn[n-]n2)CC1 ZINC000470982165 250085337 /nfs/dbraw/zinc/08/53/37/250085337.db2.gz ASHMCEVYEMVJPJ-UHFFFAOYSA-N -1 1 361.427 0.658 10 0 FCAEMM CCOc1ccccc1N1C[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000470987461 250085499 /nfs/dbraw/zinc/08/54/99/250085499.db2.gz UIHAFOCNBHYMTC-NSHDSACASA-N -1 1 356.386 0.757 10 0 FCAEMM COc1ccc(-n2cnnc2SCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470982771 250085537 /nfs/dbraw/zinc/08/55/37/250085537.db2.gz LWSQSQRHUBOZNX-UHFFFAOYSA-N -1 1 372.414 0.687 10 0 FCAEMM CN(C)C(=O)CCN1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000471381196 250097936 /nfs/dbraw/zinc/09/79/36/250097936.db2.gz URSYXTKKCBUBPS-UHFFFAOYSA-N -1 1 358.446 0.569 10 0 FCAEMM CCOCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472637954 250169540 /nfs/dbraw/zinc/16/95/40/250169540.db2.gz JNWRKICKAJSGFE-CQSZACIVSA-N -1 1 361.416 0.874 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000473307664 250217227 /nfs/dbraw/zinc/21/72/27/250217227.db2.gz XIWIPCHWDIKVMC-ZETCQYMHSA-N -1 1 365.371 0.596 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000117930669 208348016 /nfs/dbraw/zinc/34/80/16/208348016.db2.gz PEWSEVXADCHQAO-JTQLQIEISA-N -1 1 372.838 0.199 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000409790238 533408194 /nfs/dbraw/zinc/40/81/94/533408194.db2.gz ICGHBBNFBJSGBD-BXKDBHETSA-N -1 1 368.427 0.961 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000409803731 533408626 /nfs/dbraw/zinc/40/86/26/533408626.db2.gz ZKJDFGMQCQCSAY-MWLCHTKSSA-N -1 1 368.427 0.961 10 0 FCAEMM Cn1[n-]cc2/c(=N\C(=O)N3CCC(CNS(C)(=O)=O)CC3)ccnc1-2 ZINC000287823502 488910500 /nfs/dbraw/zinc/91/05/00/488910500.db2.gz ZCTPZYJCOIUKOR-UYRXBGFRSA-N -1 1 366.447 0.135 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279028313 488911726 /nfs/dbraw/zinc/91/17/26/488911726.db2.gz BBLVCGWANSQVHQ-SFHVURJKSA-N -1 1 357.414 0.723 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000271599946 488529834 /nfs/dbraw/zinc/52/98/34/488529834.db2.gz XKJFTWAMGMNDID-ZJUUUORDSA-N -1 1 355.416 0.777 10 0 FCAEMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000112103640 488532963 /nfs/dbraw/zinc/53/29/63/488532963.db2.gz QHXWDEZYWLFVRE-JTQLQIEISA-N -1 1 354.288 0.816 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000113421496 488538310 /nfs/dbraw/zinc/53/83/10/488538310.db2.gz FRWGBZJPJIVRDU-UHFFFAOYSA-N -1 1 350.335 0.990 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)[n-]1 ZINC000113421496 488538311 /nfs/dbraw/zinc/53/83/11/488538311.db2.gz FRWGBZJPJIVRDU-UHFFFAOYSA-N -1 1 350.335 0.990 10 0 FCAEMM C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000121338669 488566778 /nfs/dbraw/zinc/56/67/78/488566778.db2.gz FCVYWOHDYCDNHG-GWCFXTLKSA-N -1 1 363.805 0.474 10 0 FCAEMM CCOc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000264322439 488663768 /nfs/dbraw/zinc/66/37/68/488663768.db2.gz BPADWIUYKQKTLG-UHFFFAOYSA-N -1 1 371.390 0.100 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1)c1nn[n-]n1 ZINC000274731489 488730775 /nfs/dbraw/zinc/73/07/75/488730775.db2.gz CUARLXLFHHNALL-YPMHNXCESA-N -1 1 360.443 0.977 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1(O)CCC1 ZINC000274822043 488735979 /nfs/dbraw/zinc/73/59/79/488735979.db2.gz QIIFMHYDKWAEIX-UHFFFAOYSA-N -1 1 356.400 0.267 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000274922875 488744051 /nfs/dbraw/zinc/74/40/51/488744051.db2.gz BKXDZDIDZNYZHE-ZDUSSCGKSA-N -1 1 368.415 0.074 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000274980679 488750060 /nfs/dbraw/zinc/75/00/60/488750060.db2.gz LMVJBKYFBFOFHR-NSHDSACASA-N -1 1 360.388 0.284 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000275071473 488758721 /nfs/dbraw/zinc/75/87/21/488758721.db2.gz LHRQNEFLKVFKBO-GFCCVEGCSA-N -1 1 367.383 0.545 10 0 FCAEMM Cc1cc2c(cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1)OCO2 ZINC000280090194 488984210 /nfs/dbraw/zinc/98/42/10/488984210.db2.gz WMXMXQCHCYGBKD-UHFFFAOYSA-N -1 1 356.400 0.505 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280747761 489028788 /nfs/dbraw/zinc/02/87/88/489028788.db2.gz ZYTGMQKWMSREEC-IBGZPJMESA-N -1 1 374.441 0.978 10 0 FCAEMM CS(=O)(=O)c1cccc(OCCN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289406416 489065145 /nfs/dbraw/zinc/06/51/45/489065145.db2.gz LLPVWWCUWOCZIQ-LBPRGKRZSA-N -1 1 366.443 0.760 10 0 FCAEMM O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282852259 489194384 /nfs/dbraw/zinc/19/43/84/489194384.db2.gz GJLYMUKKADYDFO-GFCCVEGCSA-N -1 1 371.376 0.897 10 0 FCAEMM O=C(CCN1C(=O)COc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899846 489197793 /nfs/dbraw/zinc/19/77/93/489197793.db2.gz LMVYLTRKXXPMEL-LBPRGKRZSA-N -1 1 371.397 0.620 10 0 FCAEMM O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899852 489198013 /nfs/dbraw/zinc/19/80/13/489198013.db2.gz LMWWUBSVPZUTMI-NWDGAFQWSA-N -1 1 359.386 0.446 10 0 FCAEMM CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)ccc21 ZINC000282995334 489204891 /nfs/dbraw/zinc/20/48/91/489204891.db2.gz VCLHWKCDPZOYJI-LBPRGKRZSA-N -1 1 370.413 0.896 10 0 FCAEMM COc1ccccc1C(=O)NCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283447493 489260776 /nfs/dbraw/zinc/26/07/76/489260776.db2.gz JSONFITXEAQENX-NSHDSACASA-N -1 1 359.386 0.243 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Oc3cnccn3)CC2)co1 ZINC000369665742 489260900 /nfs/dbraw/zinc/26/09/00/489260900.db2.gz PTRHNMQIAKFDTN-UHFFFAOYSA-N -1 1 366.399 0.661 10 0 FCAEMM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349462111 489291514 /nfs/dbraw/zinc/29/15/14/489291514.db2.gz KVUHDJPJIDKEAZ-GFCCVEGCSA-N -1 1 363.461 0.264 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cn[nH]c1 ZINC000298691113 489353633 /nfs/dbraw/zinc/35/36/33/489353633.db2.gz CXHPXYUNOSYCMJ-UHFFFAOYSA-N -1 1 352.372 0.389 10 0 FCAEMM CCN1C[C@@H](c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CC1=O ZINC000351395332 489356112 /nfs/dbraw/zinc/35/61/12/489356112.db2.gz XNEBILZMCZGWHT-VIFPVBQESA-N -1 1 356.429 0.945 10 0 FCAEMM CCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nn[n-]n1 ZINC000370474060 489364327 /nfs/dbraw/zinc/36/43/27/489364327.db2.gz WLQJGQCHJHZYKW-CSJGVYOVSA-N -1 1 363.422 0.658 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000371286871 489473346 /nfs/dbraw/zinc/47/33/46/489473346.db2.gz IPPHPYJONCDFMW-SRVKXCTJSA-N -1 1 352.464 0.853 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccc2N1C ZINC000427994507 489632084 /nfs/dbraw/zinc/63/20/84/489632084.db2.gz HOJJHHIARLHNRH-ZETCQYMHSA-N -1 1 364.387 0.237 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccc2N1C ZINC000427994507 489632086 /nfs/dbraw/zinc/63/20/86/489632086.db2.gz HOJJHHIARLHNRH-ZETCQYMHSA-N -1 1 364.387 0.237 10 0 FCAEMM C[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000430315034 489730771 /nfs/dbraw/zinc/73/07/71/489730771.db2.gz MFHKZRAQDKITTH-VIFPVBQESA-N -1 1 353.379 0.697 10 0 FCAEMM CS(=O)(=O)c1ccc(OCCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000430318125 489730867 /nfs/dbraw/zinc/73/08/67/489730867.db2.gz JUVVLRSNKNWXBZ-UHFFFAOYSA-N -1 1 351.388 0.178 10 0 FCAEMM Cn1c(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nnc1-c1ccccc1 ZINC000563897128 491275916 /nfs/dbraw/zinc/27/59/16/491275916.db2.gz SAZOVYLCHCTSIH-CYBMUJFWSA-N -1 1 352.402 0.944 10 0 FCAEMM Cn1c(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)nnc1-c1ccccc1 ZINC000563897129 491276087 /nfs/dbraw/zinc/27/60/87/491276087.db2.gz SAZOVYLCHCTSIH-ZDUSSCGKSA-N -1 1 352.402 0.944 10 0 FCAEMM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000490262338 489757214 /nfs/dbraw/zinc/75/72/14/489757214.db2.gz SQGIKJQFAVQCRY-CYBMUJFWSA-N -1 1 371.459 0.608 10 0 FCAEMM Cc1ccccc1C(=O)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000474378954 489758706 /nfs/dbraw/zinc/75/87/06/489758706.db2.gz QERWUVRDKNTSPY-UHFFFAOYSA-N -1 1 363.395 0.717 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1C ZINC000492194435 489820244 /nfs/dbraw/zinc/82/02/44/489820244.db2.gz FLZHYLUJRWHODM-UHFFFAOYSA-N -1 1 351.388 0.194 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1C ZINC000492194435 489820248 /nfs/dbraw/zinc/82/02/48/489820248.db2.gz FLZHYLUJRWHODM-UHFFFAOYSA-N -1 1 351.388 0.194 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000494805709 489914550 /nfs/dbraw/zinc/91/45/50/489914550.db2.gz WBTIRTULRWJYDB-JTQLQIEISA-N -1 1 350.400 0.077 10 0 FCAEMM CCCS(=O)(=O)Nc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477023406 489932890 /nfs/dbraw/zinc/93/28/90/489932890.db2.gz HUSCIJRNLQIHSI-UHFFFAOYSA-N -1 1 350.404 0.771 10 0 FCAEMM COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1OCC(=O)NC(C)C ZINC000477036736 489934173 /nfs/dbraw/zinc/93/41/73/489934173.db2.gz NVQYUVNLXPPQAR-UHFFFAOYSA-N -1 1 374.401 0.531 10 0 FCAEMM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC1(c2nn[n-]n2)CC1 ZINC000477038134 489934689 /nfs/dbraw/zinc/93/46/89/489934689.db2.gz YGIRDYPWGLKYFU-UHFFFAOYSA-N -1 1 355.358 0.071 10 0 FCAEMM COc1ccc([C@H]2[C@@H](C(=O)NC3(c4nn[n-]n4)CC3)CCC(=O)N2C)cc1 ZINC000477038303 489935343 /nfs/dbraw/zinc/93/53/43/489935343.db2.gz YVKWVKWBGWYRNE-ZFWWWQNUSA-N -1 1 370.413 0.923 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)CCC1 ZINC000462084381 489956609 /nfs/dbraw/zinc/95/66/09/489956609.db2.gz OGFHWDBPKGGVEG-ZDUSSCGKSA-N -1 1 351.446 0.298 10 0 FCAEMM CCn1nccc1CN(CCO)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000477426886 489964049 /nfs/dbraw/zinc/96/40/49/489964049.db2.gz IKRMLNFWRCBUNL-UHFFFAOYSA-N -1 1 356.404 0.039 10 0 FCAEMM CC(=O)N1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)[C@@H](C)C1 ZINC000478007627 490000005 /nfs/dbraw/zinc/00/00/05/490000005.db2.gz ZXHAJZAXOLDTBC-LBPRGKRZSA-N -1 1 369.425 0.762 10 0 FCAEMM O=C([O-])CCNC(=O)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000420603015 490001582 /nfs/dbraw/zinc/00/15/82/490001582.db2.gz SYHSGEIBBFNGHE-LBPRGKRZSA-N -1 1 357.370 0.726 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1nn[n-]n1 ZINC000478586855 490026550 /nfs/dbraw/zinc/02/65/50/490026550.db2.gz RBNYPYZFXGKQJY-QMMMGPOBSA-N -1 1 356.390 0.940 10 0 FCAEMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000378413086 490060594 /nfs/dbraw/zinc/06/05/94/490060594.db2.gz TZGOIQNGGKRGNO-NSHDSACASA-N -1 1 364.427 0.798 10 0 FCAEMM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000378413086 490060599 /nfs/dbraw/zinc/06/05/99/490060599.db2.gz TZGOIQNGGKRGNO-NSHDSACASA-N -1 1 364.427 0.798 10 0 FCAEMM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113699 490177907 /nfs/dbraw/zinc/17/79/07/490177907.db2.gz JYVGZAMFEYHDLF-LBPRGKRZSA-N -1 1 353.386 0.817 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC1(CO)CC1 ZINC000571407238 491306046 /nfs/dbraw/zinc/30/60/46/491306046.db2.gz YKCCSQCFBXFTRO-UHFFFAOYSA-N -1 1 353.227 0.913 10 0 FCAEMM O=S(=O)(Cc1nnn(CC(F)(F)F)n1)c1nc(-c2ccccc2)n[n-]1 ZINC000520839670 490196226 /nfs/dbraw/zinc/19/62/26/490196226.db2.gz NUZQKFQUWZKNKW-UHFFFAOYSA-N -1 1 373.320 0.994 10 0 FCAEMM O=S(=O)(Cc1nnn(CC(F)(F)F)n1)c1n[n-]c(-c2ccccc2)n1 ZINC000520839670 490196231 /nfs/dbraw/zinc/19/62/31/490196231.db2.gz NUZQKFQUWZKNKW-UHFFFAOYSA-N -1 1 373.320 0.994 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407998463 490198429 /nfs/dbraw/zinc/19/84/29/490198429.db2.gz QOHNFXXTWICQRM-NEPJUHHUSA-N -1 1 372.447 0.685 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507890212 490275377 /nfs/dbraw/zinc/27/53/77/490275377.db2.gz QIPNGKTWEPIBQN-JTQLQIEISA-N -1 1 371.353 0.597 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)OC)cc1[N-]S(C)(=O)=O ZINC000467309567 490280513 /nfs/dbraw/zinc/28/05/13/490280513.db2.gz RMNWFEHWZVGQAH-UWVGGRQHSA-N -1 1 373.431 0.545 10 0 FCAEMM COc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc(Cl)c1[O-] ZINC000408449218 490339598 /nfs/dbraw/zinc/33/95/98/490339598.db2.gz FBOPQJQKZGTQNJ-OAHLLOKOSA-N -1 1 353.762 0.868 10 0 FCAEMM O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1nnn[n-]1 ZINC000522928723 490419560 /nfs/dbraw/zinc/41/95/60/490419560.db2.gz SNIJPACTGNWXTB-UHFFFAOYSA-N -1 1 365.147 0.587 10 0 FCAEMM O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1nn[n-]n1 ZINC000522928723 490419565 /nfs/dbraw/zinc/41/95/65/490419565.db2.gz SNIJPACTGNWXTB-UHFFFAOYSA-N -1 1 365.147 0.587 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cnc(C3CC3)nc2)co1 ZINC000535141074 490459511 /nfs/dbraw/zinc/45/95/11/490459511.db2.gz FGXRROBSRSNQMQ-UHFFFAOYSA-N -1 1 350.400 0.828 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)[n-]1 ZINC000469013431 490478193 /nfs/dbraw/zinc/47/81/93/490478193.db2.gz QVSIGANCMCWTJO-UHFFFAOYSA-N -1 1 365.350 0.239 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)n[n-]1 ZINC000469013431 490478198 /nfs/dbraw/zinc/47/81/98/490478198.db2.gz QVSIGANCMCWTJO-UHFFFAOYSA-N -1 1 365.350 0.239 10 0 FCAEMM COC(=O)CC1(CS(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])CC1 ZINC000548540359 490501608 /nfs/dbraw/zinc/50/16/08/490501608.db2.gz KQFSVGPUURVEAH-LBPRGKRZSA-N -1 1 362.448 0.188 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000510507312 490522964 /nfs/dbraw/zinc/52/29/64/490522964.db2.gz YWRUYTYTXMVRLY-MRVPVSSYSA-N -1 1 351.402 0.310 10 0 FCAEMM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000500569391 490535654 /nfs/dbraw/zinc/53/56/54/490535654.db2.gz MPEMIBJSCVYWHL-VIFPVBQESA-N -1 1 351.388 0.274 10 0 FCAEMM Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000500569391 490535657 /nfs/dbraw/zinc/53/56/57/490535657.db2.gz MPEMIBJSCVYWHL-VIFPVBQESA-N -1 1 351.388 0.274 10 0 FCAEMM CS(=O)(=O)c1cccnc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000485528128 490538847 /nfs/dbraw/zinc/53/88/47/490538847.db2.gz ZFMBTIWGVYCDRI-UHFFFAOYSA-N -1 1 358.379 0.652 10 0 FCAEMM COC(=O)CC1(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)CC1 ZINC000536170876 490558478 /nfs/dbraw/zinc/55/84/78/490558478.db2.gz ZOHZBZVKNSHBNE-CYBMUJFWSA-N -1 1 351.446 0.298 10 0 FCAEMM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000536409719 490577161 /nfs/dbraw/zinc/57/71/61/490577161.db2.gz LHZFBNPHXFUWOX-SNVBAGLBSA-N -1 1 368.408 0.427 10 0 FCAEMM CC(C)(C)OC(=O)c1cnc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1 ZINC000549346748 490577366 /nfs/dbraw/zinc/57/73/66/490577366.db2.gz XKCFKAMSAKXVGB-SNVBAGLBSA-N -1 1 359.390 0.965 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc(-c3cccnc3)s2)[n-]1 ZINC000536448731 490578987 /nfs/dbraw/zinc/57/89/87/490578987.db2.gz PPQKTCLFHMDIJJ-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc(-c3cccnc3)s2)n[n-]1 ZINC000536448731 490578991 /nfs/dbraw/zinc/57/89/91/490578991.db2.gz PPQKTCLFHMDIJJ-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccc2N1C ZINC000537125158 490651007 /nfs/dbraw/zinc/65/10/07/490651007.db2.gz ZVWHVIWLGIMWFE-ZYHUDNBSSA-N -1 1 355.402 0.996 10 0 FCAEMM O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537124516 490651084 /nfs/dbraw/zinc/65/10/84/490651084.db2.gz UYKHBEIUNBJDSD-VIFPVBQESA-N -1 1 359.781 0.849 10 0 FCAEMM COc1cccc(CO[C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000512640427 490690923 /nfs/dbraw/zinc/69/09/23/490690923.db2.gz VMGMEDXIWHMLRC-SECBINFHSA-N -1 1 354.388 0.761 10 0 FCAEMM COc1cccc(CO[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000512640427 490690927 /nfs/dbraw/zinc/69/09/27/490690927.db2.gz VMGMEDXIWHMLRC-SECBINFHSA-N -1 1 354.388 0.761 10 0 FCAEMM O=C(Cn1cccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000512690618 490693426 /nfs/dbraw/zinc/69/34/26/490693426.db2.gz JJDCAXVAVFXMCJ-UHFFFAOYSA-N -1 1 366.399 0.248 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000572159406 491353300 /nfs/dbraw/zinc/35/33/00/491353300.db2.gz KOHQCGAMAGTUPB-GDBMZVCRSA-N -1 1 361.442 0.804 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccccc2)o1 ZINC000505014860 490816656 /nfs/dbraw/zinc/81/66/56/490816656.db2.gz UIFLTZFTDHHDPX-UHFFFAOYSA-N -1 1 365.411 0.738 10 0 FCAEMM NS(=O)(=O)c1ccc(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000505393225 490827984 /nfs/dbraw/zinc/82/79/84/490827984.db2.gz AVEJAJISHQRKMJ-UHFFFAOYSA-N -1 1 372.406 0.543 10 0 FCAEMM Cc1c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cccc1-n1cnnn1 ZINC000515627698 490833686 /nfs/dbraw/zinc/83/36/86/490833686.db2.gz ODLDTGDDEOXOGZ-UHFFFAOYSA-N -1 1 358.383 0.870 10 0 FCAEMM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540803513 490835536 /nfs/dbraw/zinc/83/55/36/490835536.db2.gz BOLYMYSUXYVXKX-JTQLQIEISA-N -1 1 366.395 0.938 10 0 FCAEMM CN1CCN(Cc2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000530961018 490933581 /nfs/dbraw/zinc/93/35/81/490933581.db2.gz WTARETBMLRKZAT-UHFFFAOYSA-N -1 1 357.414 0.486 10 0 FCAEMM Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)c(C)c1OCC(=O)[O-] ZINC000544934459 490986326 /nfs/dbraw/zinc/98/63/26/490986326.db2.gz PJEZYQUGZZPUJE-JTQLQIEISA-N -1 1 354.388 0.924 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)c(C(F)(F)F)n1 ZINC000559095144 491454569 /nfs/dbraw/zinc/45/45/69/491454569.db2.gz DGRRWWDJAQGQEV-JTQLQIEISA-N -1 1 364.349 0.888 10 0 FCAEMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2=O)n(C)n1 ZINC000575199629 491545521 /nfs/dbraw/zinc/54/55/21/491545521.db2.gz GSOYZIXFUASLBQ-NSHDSACASA-N -1 1 369.472 0.886 10 0 FCAEMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)[C@H]1n1cccn1 ZINC000568034164 491549171 /nfs/dbraw/zinc/54/91/71/491549171.db2.gz KQYKQHZTJPOHEU-ZKYQVNSYSA-N -1 1 368.415 0.533 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1cnn(CC(=O)NC2CCCC2)c1 ZINC000576558586 491624789 /nfs/dbraw/zinc/62/47/89/491624789.db2.gz IAEAERIFVXSIKP-UHFFFAOYSA-N -1 1 358.420 0.247 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)nc2n1 ZINC000588006349 491737178 /nfs/dbraw/zinc/73/71/78/491737178.db2.gz FCKFQWPTILRVLU-SNVBAGLBSA-N -1 1 356.342 0.306 10 0 FCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000590311830 491773029 /nfs/dbraw/zinc/77/30/29/491773029.db2.gz HUTAUBBCDXGDOJ-MRVPVSSYSA-N -1 1 361.449 0.238 10 0 FCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000590311830 491773031 /nfs/dbraw/zinc/77/30/31/491773031.db2.gz HUTAUBBCDXGDOJ-MRVPVSSYSA-N -1 1 361.449 0.238 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C[N@H+]1CCO ZINC000582475122 491813859 /nfs/dbraw/zinc/81/38/59/491813859.db2.gz GQTZIYMHEHGASP-NQCMUKECSA-N -1 1 374.441 0.268 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(C)(C)C ZINC000592029534 491828157 /nfs/dbraw/zinc/82/81/57/491828157.db2.gz NEVIBLJITUTPEC-CHWSQXEVSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccnn1C ZINC000592095330 491831803 /nfs/dbraw/zinc/83/18/03/491831803.db2.gz YRSORPHWMKGVJY-BONVTDFDSA-N -1 1 365.411 0.936 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCC1)c1ccnn1C ZINC000592099539 491832505 /nfs/dbraw/zinc/83/25/05/491832505.db2.gz ZFKAHMJZQRKYJZ-GFCCVEGCSA-N -1 1 373.431 0.287 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)o1 ZINC000594849915 491866466 /nfs/dbraw/zinc/86/64/66/491866466.db2.gz RLFODBSVXGNOJQ-UWVGGRQHSA-N -1 1 365.429 0.700 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000594850229 491866657 /nfs/dbraw/zinc/86/66/57/491866657.db2.gz VQSZCNYGCKYUCI-PSASIEDQSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c1F ZINC000594867530 491868616 /nfs/dbraw/zinc/86/86/16/491868616.db2.gz GWGDLIFVYGBBCI-QMMMGPOBSA-N -1 1 364.782 0.823 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000612063486 491896571 /nfs/dbraw/zinc/89/65/71/491896571.db2.gz ICOWPEKDSCGAKI-UHFFFAOYSA-N -1 1 350.400 0.783 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000601368921 491909818 /nfs/dbraw/zinc/90/98/18/491909818.db2.gz GWVHJNKDQDSRBJ-DZGCQCFKSA-N -1 1 358.460 0.791 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)cc1C ZINC000595306702 491915902 /nfs/dbraw/zinc/91/59/02/491915902.db2.gz VXUHUZYRFFKDGK-UHFFFAOYSA-N -1 1 356.356 0.562 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC)C1CC1 ZINC000601420847 491916847 /nfs/dbraw/zinc/91/68/47/491916847.db2.gz YQZPXJPWPLFRKG-LSDHHAIUSA-N -1 1 356.444 0.900 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000595341690 491921983 /nfs/dbraw/zinc/92/19/83/491921983.db2.gz JXHSSOHMANMCMK-UWVGGRQHSA-N -1 1 365.429 0.619 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1OC)c1ccnn1C ZINC000595348316 491922869 /nfs/dbraw/zinc/92/28/69/491922869.db2.gz QZRZUJRDYYJHHS-CYBMUJFWSA-N -1 1 357.363 0.760 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000601465628 491923628 /nfs/dbraw/zinc/92/36/28/491923628.db2.gz WQODHWNDZJUPSB-LBPRGKRZSA-N -1 1 352.412 0.447 10 0 FCAEMM COC(=O)c1ccc(C)c(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000595884119 491959001 /nfs/dbraw/zinc/95/90/01/491959001.db2.gz GLBJUXOVODQQOB-FZKQIMNGSA-N -1 1 362.382 0.753 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1C ZINC000596036026 491973233 /nfs/dbraw/zinc/97/32/33/491973233.db2.gz VMGHQZDLCCQOFF-LLVKDONJSA-N -1 1 374.415 0.592 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3nn(C)cc3C)CC2)n1 ZINC000597137335 492017680 /nfs/dbraw/zinc/01/76/80/492017680.db2.gz QVJAHZHOCIYYGM-UHFFFAOYSA-N -1 1 361.406 1.435 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)n[n-]1 ZINC000597582081 492049163 /nfs/dbraw/zinc/04/91/63/492049163.db2.gz VTQBZFFJZYREFC-ZJUUUORDSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)[n-]1 ZINC000597582081 492049165 /nfs/dbraw/zinc/04/91/65/492049165.db2.gz VTQBZFFJZYREFC-ZJUUUORDSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC000597582081 492049167 /nfs/dbraw/zinc/04/91/67/492049167.db2.gz VTQBZFFJZYREFC-ZJUUUORDSA-N -1 1 352.395 0.208 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598166573 492086768 /nfs/dbraw/zinc/08/67/68/492086768.db2.gz JGFPTQRXFKYGNF-HNNXBMFYSA-N -1 1 355.347 0.127 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n[n-]1 ZINC000615916591 492107406 /nfs/dbraw/zinc/10/74/06/492107406.db2.gz FOCVIFHNPPWMSX-ZDUSSCGKSA-N -1 1 371.397 0.646 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000615916591 492107407 /nfs/dbraw/zinc/10/74/07/492107407.db2.gz FOCVIFHNPPWMSX-ZDUSSCGKSA-N -1 1 371.397 0.646 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)n[n-]1 ZINC000615920422 492107647 /nfs/dbraw/zinc/10/76/47/492107647.db2.gz SYGHKWMLHMXYIN-UHFFFAOYSA-N -1 1 352.372 0.315 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000615920422 492107648 /nfs/dbraw/zinc/10/76/48/492107648.db2.gz SYGHKWMLHMXYIN-UHFFFAOYSA-N -1 1 352.372 0.315 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCS(=O)(=O)C2CCCC2)n[n-]1 ZINC000615920159 492108032 /nfs/dbraw/zinc/10/80/32/492108032.db2.gz NIZCQOIVSNKAMX-UHFFFAOYSA-N -1 1 358.420 0.345 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCS(=O)(=O)C2CCCC2)n1 ZINC000615920159 492108034 /nfs/dbraw/zinc/10/80/34/492108034.db2.gz NIZCQOIVSNKAMX-UHFFFAOYSA-N -1 1 358.420 0.345 10 0 FCAEMM COCCN1CCC[C@H]1CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606093530 492114645 /nfs/dbraw/zinc/11/46/45/492114645.db2.gz LJBXINXKZOQJHT-NSHDSACASA-N -1 1 369.491 0.423 10 0 FCAEMM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000616442302 492132283 /nfs/dbraw/zinc/13/22/83/492132283.db2.gz OWEYTXSQZAKRTG-LLVKDONJSA-N -1 1 353.343 0.564 10 0 FCAEMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000607881480 492151730 /nfs/dbraw/zinc/15/17/30/492151730.db2.gz IQPBHEQMLRMBFI-ZDUSSCGKSA-N -1 1 371.463 0.131 10 0 FCAEMM CO[C@]1(CO)CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000617796443 492192256 /nfs/dbraw/zinc/19/22/56/492192256.db2.gz URCITFVNXLBCOF-GOSISDBHSA-N -1 1 362.430 0.984 10 0 FCAEMM COCc1n[nH]c(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000617938038 492205688 /nfs/dbraw/zinc/20/56/88/492205688.db2.gz KOZBCRMHJNWEIG-UHFFFAOYSA-N -1 1 359.390 0.565 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2)o1 ZINC000609351637 492207060 /nfs/dbraw/zinc/20/70/60/492207060.db2.gz JMMWVVDGPPEMGQ-UHFFFAOYSA-N -1 1 352.368 0.775 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)co1 ZINC000620102537 492288392 /nfs/dbraw/zinc/28/83/92/492288392.db2.gz SMJBIBCGKCWJSM-GFCCVEGCSA-N -1 1 370.431 0.208 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(O)cc3C2)o1 ZINC000620341861 492303426 /nfs/dbraw/zinc/30/34/26/492303426.db2.gz CIKQJWCTZUBSHF-UHFFFAOYSA-N -1 1 352.368 0.928 10 0 FCAEMM O=C([O-])C1(CNC(=O)CCNC(=O)c2n[nH]c3ccccc32)CCOCC1 ZINC000647766307 492356950 /nfs/dbraw/zinc/35/69/50/492356950.db2.gz TVGGHLWHIOTRQM-UHFFFAOYSA-N -1 1 374.397 0.680 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCO[C@H]([C@@H](C)O)C3)c(=O)c2c(OC)c1 ZINC000627768023 492379243 /nfs/dbraw/zinc/37/92/43/492379243.db2.gz LCZDVRZAVQPLNI-BMIGLBTASA-N -1 1 362.382 0.767 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NC[C@@](C)(CO)OC)c(=O)c2c(OC)c1 ZINC000628013825 492444596 /nfs/dbraw/zinc/44/45/96/492444596.db2.gz FPMVTTUYGCQZPK-KRWDZBQOSA-N -1 1 350.371 0.673 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622612536 492480545 /nfs/dbraw/zinc/48/05/45/492480545.db2.gz ZHBYWQMACFMUBL-INIZCTEOSA-N -1 1 366.381 0.844 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3CN3CCOCC3)nc2n1 ZINC000622871074 492492228 /nfs/dbraw/zinc/49/22/28/492492228.db2.gz QIZVOVBTRVOQCR-UHFFFAOYSA-N -1 1 368.397 0.811 10 0 FCAEMM C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000656002794 492511445 /nfs/dbraw/zinc/51/14/45/492511445.db2.gz JZLPFVPFVGWQFE-DGCLKSJQSA-N -1 1 371.397 0.972 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629213493 492590977 /nfs/dbraw/zinc/59/09/77/492590977.db2.gz JCJDNTCXARUZCE-BETUJISGSA-N -1 1 355.398 0.405 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCNC(=O)Cc3ccccc3)nc2n1 ZINC000643909587 492601625 /nfs/dbraw/zinc/60/16/25/492601625.db2.gz QFYCHAMPZLOKME-UHFFFAOYSA-N -1 1 354.370 0.414 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccnc3OCC(F)(F)F)nc2n1 ZINC000643909385 492601767 /nfs/dbraw/zinc/60/17/67/492601767.db2.gz VTPIWXXIBQVLAE-UHFFFAOYSA-N -1 1 368.275 0.736 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000629288246 492602715 /nfs/dbraw/zinc/60/27/15/492602715.db2.gz FCJWFRKHJQCIFF-CQSZACIVSA-N -1 1 369.443 0.459 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)CCNC3=O)CCOCC1 ZINC000656633193 492640317 /nfs/dbraw/zinc/64/03/17/492640317.db2.gz XOWWMJWDNQCGOV-UHFFFAOYSA-N -1 1 354.428 0.910 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1ncccc1Br ZINC000656901467 492663916 /nfs/dbraw/zinc/66/39/16/492663916.db2.gz PVIQODVMAQBWMQ-MRVPVSSYSA-N -1 1 369.262 0.700 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)C1CCOCC1)c1ncccc1Br ZINC000656912693 492667852 /nfs/dbraw/zinc/66/78/52/492667852.db2.gz FPVJITVPUWBDQZ-NSHDSACASA-N -1 1 365.249 0.910 10 0 FCAEMM O=S(=O)([N-]C[C@@H](CO)[C@H]1CCOC1)c1ncccc1Br ZINC000656978155 492684704 /nfs/dbraw/zinc/68/47/04/492684704.db2.gz FMCZXQFDLSUDKX-UWVGGRQHSA-N -1 1 365.249 0.767 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCOC1 ZINC000657072259 492709360 /nfs/dbraw/zinc/70/93/60/492709360.db2.gz YVBOPSSLLNFLNN-OFQRWUPVSA-N -1 1 368.455 0.545 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1c(F)cccc1Cl ZINC000657085437 492712174 /nfs/dbraw/zinc/71/21/74/492712174.db2.gz HBTJUPZMABUAJE-CYBMUJFWSA-N -1 1 353.799 0.925 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000625027217 492713050 /nfs/dbraw/zinc/71/30/50/492713050.db2.gz KJLUVZKBGMWRIH-NILFDRSVSA-N -1 1 370.475 0.648 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(n2cc(Br)cn2)CC1 ZINC000631198185 492803041 /nfs/dbraw/zinc/80/30/41/492803041.db2.gz AWPGGVQCNPWPET-UHFFFAOYSA-N -1 1 354.212 0.955 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O)C1CCOCC1 ZINC000625521646 492809407 /nfs/dbraw/zinc/80/94/07/492809407.db2.gz KZYHJTCLWNERBL-CVEARBPZSA-N -1 1 368.455 0.911 10 0 FCAEMM COc1cccc(OCCN2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC000631889821 492869942 /nfs/dbraw/zinc/86/99/42/492869942.db2.gz JXNZDGVBSKWOEQ-UHFFFAOYSA-N -1 1 360.418 0.364 10 0 FCAEMM CC(=O)N1CC[C@H](CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000652196837 492894591 /nfs/dbraw/zinc/89/45/91/492894591.db2.gz FRJBPKMCGHGULR-CQSZACIVSA-N -1 1 359.430 0.969 10 0 FCAEMM C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC[C@@H]1C(=O)[O-] ZINC000625956691 492906703 /nfs/dbraw/zinc/90/67/03/492906703.db2.gz WSDBFUHDXNISNJ-FZMZJTMJSA-N -1 1 357.370 0.775 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O)C1CCOCC1 ZINC000645646311 492953081 /nfs/dbraw/zinc/95/30/81/492953081.db2.gz UXFYIJZRIUGVAS-HZPDHXFCSA-N -1 1 368.455 0.763 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1nc(C(F)(F)F)no1 ZINC000632479832 493006386 /nfs/dbraw/zinc/00/63/86/493006386.db2.gz KKWLOKNYECCJOX-HTQZYQBOSA-N -1 1 358.342 0.399 10 0 FCAEMM Cn1nc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c2ccccc2c1=O ZINC000646067577 493009940 /nfs/dbraw/zinc/00/99/40/493009940.db2.gz LSBJMCYBSRZLCP-LLVKDONJSA-N -1 1 369.381 0.971 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c(C(F)(F)F)n1 ZINC000632705887 493068292 /nfs/dbraw/zinc/06/82/92/493068292.db2.gz RFBJJZYJAYKWCA-UHFFFAOYSA-N -1 1 362.337 0.396 10 0 FCAEMM Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659066991 493136299 /nfs/dbraw/zinc/13/62/99/493136299.db2.gz UQEQEYVVUNOFDD-PIGZYNQJSA-N -1 1 358.354 0.369 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@H](C)O1 ZINC000659392835 493201212 /nfs/dbraw/zinc/20/12/12/493201212.db2.gz SYLUPJRMQAOGDV-UMPJEAMMSA-N -1 1 355.435 0.228 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(F)(F)C[C@H]1CO ZINC000673223908 493304816 /nfs/dbraw/zinc/30/48/16/493304816.db2.gz PAEPFZOBRVPTGQ-JTQLQIEISA-N -1 1 365.340 0.719 10 0 FCAEMM CN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662202890 493496169 /nfs/dbraw/zinc/49/61/69/493496169.db2.gz AAWUPUKYRQRNON-KRWDZBQOSA-N -1 1 360.458 0.426 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000670406800 493561725 /nfs/dbraw/zinc/56/17/25/493561725.db2.gz CVNLKMDRRAAWDP-CYBMUJFWSA-N -1 1 370.450 0.317 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)C1CCC1 ZINC000663601539 493602876 /nfs/dbraw/zinc/60/28/76/493602876.db2.gz CTRBYUZIBUXUGA-AWEZNQCLSA-N -1 1 357.370 0.823 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCC1 ZINC000663620514 493605281 /nfs/dbraw/zinc/60/52/81/493605281.db2.gz ZWINXWRDTZTMFV-DLBZAZTESA-N -1 1 373.453 0.994 10 0 FCAEMM Cc1nc([C@H]2CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)n[nH]1 ZINC000663634216 493607767 /nfs/dbraw/zinc/60/77/67/493607767.db2.gz DSGFMVIWPCVIDC-QWHCGFSZSA-N -1 1 363.418 0.436 10 0 FCAEMM O=C(c1c([O-])cc(F)cc1F)N1CCC(O)(CN2CCOCC2)CC1 ZINC000679167995 493670753 /nfs/dbraw/zinc/67/07/53/493670753.db2.gz YNRIKHRWNOORQM-UHFFFAOYSA-N -1 1 356.369 0.970 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)o1 ZINC000435945179 536301698 /nfs/dbraw/zinc/30/16/98/536301698.db2.gz UPGNXNLEBNYKMP-LBPRGKRZSA-N -1 1 365.411 0.795 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442964880 536358544 /nfs/dbraw/zinc/35/85/44/536358544.db2.gz JJYPUYKRRHAGBH-NSHDSACASA-N -1 1 369.805 0.521 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)c1 ZINC000592382358 546634885 /nfs/dbraw/zinc/63/48/85/546634885.db2.gz NVHWDJYXUUGTAA-CYBMUJFWSA-N -1 1 374.415 0.757 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)c1ccccc1 ZINC000594753951 546819315 /nfs/dbraw/zinc/81/93/15/546819315.db2.gz XGLYDWHXXOWTBL-RBSFLKMASA-N -1 1 357.428 0.872 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2ncccc2Br)CCOC1 ZINC000594759871 546820601 /nfs/dbraw/zinc/82/06/01/546820601.db2.gz MAOGIJSOPCMKME-NSHDSACASA-N -1 1 365.205 0.455 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000594823655 546837578 /nfs/dbraw/zinc/83/75/78/546837578.db2.gz WAMYUFONJKQHJI-POYBYMJQSA-N -1 1 357.310 0.048 10 0 FCAEMM CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477059670 546942474 /nfs/dbraw/zinc/94/24/74/546942474.db2.gz NPWHPJPYMQVXDL-LBPRGKRZSA-N -1 1 360.443 0.857 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)cn1 ZINC000551114393 547126439 /nfs/dbraw/zinc/12/64/39/547126439.db2.gz MVFHZAMCJKIWSV-UHFFFAOYSA-N -1 1 368.390 0.755 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000553248795 547262265 /nfs/dbraw/zinc/26/22/65/547262265.db2.gz IUHQTJGFJHYCHQ-JTQLQIEISA-N -1 1 374.488 0.756 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)c1C(F)(F)F ZINC000866839042 663137260 /nfs/dbraw/zinc/13/72/60/663137260.db2.gz TZGKRYUMTBJWII-VIFPVBQESA-N -1 1 357.354 0.505 10 0 FCAEMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000866893219 664288753 /nfs/dbraw/zinc/28/87/53/664288753.db2.gz NQCDWDHRKLVNBP-GJMOJQLCSA-N -1 1 363.237 0.460 10 0 FCAEMM CCn1c(CCNC(=O)c2cccc(S(=O)(=O)NC)c2)n[n-]c1=S ZINC000067077631 664886574 /nfs/dbraw/zinc/88/65/74/664886574.db2.gz QOADJBWPBAMMFP-UHFFFAOYSA-N -1 1 369.472 0.841 10 0 FCAEMM CC(C)(C)CC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727850222 665078260 /nfs/dbraw/zinc/07/82/60/665078260.db2.gz VEUYSFCDSRLTHJ-UHFFFAOYSA-N -1 1 350.419 0.034 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ncccc2Cl)C1 ZINC000866953565 665242397 /nfs/dbraw/zinc/24/23/97/665242397.db2.gz RUXZARJRJKPYBC-VIFPVBQESA-N -1 1 352.869 0.876 10 0 FCAEMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000866965961 665252003 /nfs/dbraw/zinc/25/20/03/665252003.db2.gz RCCSGMKCOWQXAT-VERVWZFWSA-N -1 1 359.473 0.989 10 0 FCAEMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866963796 665252865 /nfs/dbraw/zinc/25/28/65/665252865.db2.gz GONXJOABOFNJPR-QMMMGPOBSA-N -1 1 354.354 0.728 10 0 FCAEMM CC(C)(C)N1CCC[C@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)C1=O ZINC000907477146 666132751 /nfs/dbraw/zinc/13/27/51/666132751.db2.gz REXNSJDLHAZBIM-GHMZBOCLSA-N -1 1 352.464 0.853 10 0 FCAEMM C[C@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)N1Cc2ccccc2C1=O ZINC000907479212 666136374 /nfs/dbraw/zinc/13/63/74/666136374.db2.gz ZSMOVUSFUIOHNO-MFKMUULPSA-N -1 1 358.427 0.861 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000908734613 666216494 /nfs/dbraw/zinc/21/64/94/666216494.db2.gz VOACICFFKMSFLO-ARFHVFGLSA-N -1 1 352.479 0.766 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CN3CCC[C@@H](C(=O)[O-])C3)O2)[C@H]1C ZINC000910547923 666250454 /nfs/dbraw/zinc/25/04/54/666250454.db2.gz WWICGZQEXDEFBX-PQHDGLIZSA-N -1 1 354.447 0.872 10 0 FCAEMM CS(=O)(=O)N1CC[C@@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000911882567 666379595 /nfs/dbraw/zinc/37/95/95/666379595.db2.gz KNYRVTXXSLRDMR-SECBINFHSA-N -1 1 353.375 0.843 10 0 FCAEMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC000921317623 666432062 /nfs/dbraw/zinc/43/20/62/666432062.db2.gz FKIDOUVARLTJTM-DGCLKSJQSA-N -1 1 366.436 0.269 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCCN2CCSC[C@H]12 ZINC000921322615 666433425 /nfs/dbraw/zinc/43/34/25/666433425.db2.gz VQWXSJSQIOVMEQ-VXGBXAGGSA-N -1 1 353.535 0.662 10 0 FCAEMM COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000921381693 666442694 /nfs/dbraw/zinc/44/26/94/666442694.db2.gz KPHJQDFWOKYBBP-HUUCEWRRSA-N -1 1 374.434 0.160 10 0 FCAEMM O=C([N-]CC1CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C1)C(F)(F)F ZINC000913781141 666650079 /nfs/dbraw/zinc/65/00/79/666650079.db2.gz CVNAYUOKDMXLBJ-GFCCVEGCSA-N -1 1 356.304 0.712 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)N(C)C)c1F ZINC000913857681 666658337 /nfs/dbraw/zinc/65/83/37/666658337.db2.gz OXAJXANRHQEYES-UHFFFAOYSA-N -1 1 369.212 0.963 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1Br)C(N)=O ZINC000914302342 666737366 /nfs/dbraw/zinc/73/73/66/666737366.db2.gz FEDMDJQOBBMTCW-SECBINFHSA-N -1 1 369.212 0.508 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)cc1C ZINC000918277737 667109146 /nfs/dbraw/zinc/10/91/46/667109146.db2.gz XIHZYOSVDMNEEK-UHFFFAOYSA-N -1 1 358.416 0.516 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCC(=O)NCC12COC2 ZINC000921800761 667486789 /nfs/dbraw/zinc/48/67/89/667486789.db2.gz KQIYSVZYOKAJSR-UHFFFAOYSA-N -1 1 355.188 0.886 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cn1 ZINC000921861076 667522441 /nfs/dbraw/zinc/52/24/41/667522441.db2.gz IGWKNIYZFTWKKC-KWQFWETISA-N -1 1 371.337 0.302 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)[C@@H]2CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805126816 667712505 /nfs/dbraw/zinc/71/25/05/667712505.db2.gz IBISRHGFLRHHOO-MMWGEVLESA-N -1 1 358.382 0.883 10 0 FCAEMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000805136793 667719651 /nfs/dbraw/zinc/71/96/51/667719651.db2.gz AAHOPJRBZITFCN-ZCFIWIBFSA-N -1 1 354.743 0.311 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1F ZINC000805137819 667721322 /nfs/dbraw/zinc/72/13/22/667721322.db2.gz JPAGBZRPCBEVRG-SSDOTTSWSA-N -1 1 355.290 0.541 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@H]2CCN(C)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805143956 667725102 /nfs/dbraw/zinc/72/51/02/667725102.db2.gz SBJBBKXRVUQYMQ-NAKRPEOUSA-N -1 1 364.368 0.704 10 0 FCAEMM CCOCCOCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923256376 667819848 /nfs/dbraw/zinc/81/98/48/667819848.db2.gz XTKUUBORSQVCBD-WDEREUQCSA-N -1 1 356.341 0.636 10 0 FCAEMM CON(C)C(=O)[C@H](CCSC)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000765301210 668004493 /nfs/dbraw/zinc/00/44/93/668004493.db2.gz SSKGANNNOHEZSL-LBPRGKRZSA-N -1 1 364.427 0.794 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000740888573 668008005 /nfs/dbraw/zinc/00/80/05/668008005.db2.gz MSSSUAWMAUHFIG-GFCCVEGCSA-N -1 1 354.428 0.318 10 0 FCAEMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(CCS(C)(=O)=O)n2)C1 ZINC000742032555 668025084 /nfs/dbraw/zinc/02/50/84/668025084.db2.gz YDVUBIVVTPIKLE-LLVKDONJSA-N -1 1 350.466 0.316 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000743325662 668046924 /nfs/dbraw/zinc/04/69/24/668046924.db2.gz QURJWVYDLZKCAH-SECBINFHSA-N -1 1 373.435 0.936 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000743325662 668046927 /nfs/dbraw/zinc/04/69/27/668046927.db2.gz QURJWVYDLZKCAH-SECBINFHSA-N -1 1 373.435 0.936 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CCO)o1 ZINC000769057786 668112808 /nfs/dbraw/zinc/11/28/08/668112808.db2.gz XMGNRQSUWWGBPQ-NSHDSACASA-N -1 1 360.432 0.580 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000777069651 668307500 /nfs/dbraw/zinc/30/75/00/668307500.db2.gz VLJDOGIHBKQBKW-UHFFFAOYSA-N -1 1 356.447 0.216 10 0 FCAEMM O=C(OCCOCC[N-]C(=O)C(F)(F)F)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000782648620 668573842 /nfs/dbraw/zinc/57/38/42/668573842.db2.gz FLIRLCUFCYQCES-SECBINFHSA-N -1 1 352.309 0.236 10 0 FCAEMM C[C@@](O)(Cn1ccccc1=O)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000790681204 668880583 /nfs/dbraw/zinc/88/05/83/668880583.db2.gz VHWGIALZERDZDT-CYBMUJFWSA-N -1 1 350.293 0.211 10 0 FCAEMM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC ZINC000790934850 668884081 /nfs/dbraw/zinc/88/40/81/668884081.db2.gz GLFDARMFWCRDCL-MRVPVSSYSA-N -1 1 367.811 0.155 10 0 FCAEMM NC(=O)c1ncccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469103 668929416 /nfs/dbraw/zinc/92/94/16/668929416.db2.gz QDNQBCTVFCOQDE-SECBINFHSA-N -1 1 358.320 0.711 10 0 FCAEMM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867033265 669098375 /nfs/dbraw/zinc/09/83/75/669098375.db2.gz GPLOEJRJOOHBNX-SFYZADRCSA-N -1 1 354.354 0.632 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCSC1 ZINC000867020542 669176732 /nfs/dbraw/zinc/17/67/32/669176732.db2.gz MUQKFRPIUPLXMF-SNVBAGLBSA-N -1 1 373.378 0.766 10 0 FCAEMM NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1Cl ZINC000798335285 669229594 /nfs/dbraw/zinc/22/95/94/669229594.db2.gz JQSBDRSJUYHXEM-SECBINFHSA-N -1 1 370.822 0.520 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCCC3(CS(C)(=O)=O)CC3)ccnc1-2 ZINC000823064228 669317103 /nfs/dbraw/zinc/31/71/03/669317103.db2.gz XVNLNPMBBJUYIC-UHFFFAOYSA-N -1 1 351.432 0.678 10 0 FCAEMM NC(=O)C1CC(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000716677108 669346723 /nfs/dbraw/zinc/34/67/23/669346723.db2.gz WBRQGOOQJZMVHR-UHFFFAOYSA-N -1 1 360.151 0.991 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)ccnc1-2 ZINC000806483018 669416887 /nfs/dbraw/zinc/41/68/87/669416887.db2.gz XRTCJVMNJSMFDD-LLVKDONJSA-N -1 1 366.447 0.277 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1ccnn1C ZINC000828132616 669619010 /nfs/dbraw/zinc/61/90/10/669619010.db2.gz KZNYGONDHFNUDJ-OAHLLOKOSA-N -1 1 363.395 0.987 10 0 FCAEMM COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810635556 669693515 /nfs/dbraw/zinc/69/35/15/669693515.db2.gz CIIYJMMILDCVOS-CQSZACIVSA-N -1 1 354.444 0.308 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccccc2S(C)(=O)=O)co1 ZINC000810940018 669720814 /nfs/dbraw/zinc/72/08/14/669720814.db2.gz ZDECPGZLUUTQGV-UHFFFAOYSA-N -1 1 373.408 0.948 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CC[C@@H](C)C1)C(=O)OCc1ccccc1 ZINC000814286955 669880122 /nfs/dbraw/zinc/88/01/22/669880122.db2.gz VUUZBHULFXEYRD-IPYPFGDCSA-N -1 1 356.444 0.655 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCCN2CCOC2=O)c(C(F)(F)F)n1 ZINC000815010497 669895161 /nfs/dbraw/zinc/89/51/61/669895161.db2.gz YVLYJJKDDLMBNT-UHFFFAOYSA-N -1 1 356.326 0.560 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCO1 ZINC000867145857 670017654 /nfs/dbraw/zinc/01/76/54/670017654.db2.gz JWVMEDWXMQLXQY-MCMMXHMISA-N -1 1 361.489 0.698 10 0 FCAEMM O=C([N-]Cc1nccn1CC(F)(F)F)C(F)(F)C(=O)N1CCOCC1 ZINC000836193819 670036705 /nfs/dbraw/zinc/03/67/05/670036705.db2.gz XPXXVRWPBTZXRF-UHFFFAOYSA-N -1 1 370.278 0.556 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000867196143 670064636 /nfs/dbraw/zinc/06/46/36/670064636.db2.gz RBRXTUHEGSQRHV-AMXDTQDGSA-N -1 1 363.509 0.649 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000867259442 670547239 /nfs/dbraw/zinc/54/72/39/670547239.db2.gz MADHOVKFLBNWCR-VERVWZFWSA-N -1 1 366.509 0.619 10 0 FCAEMM O=[S@@](CC[N-]S(=O)(=O)N=S1(=O)CCCC1)CC(F)(F)F ZINC000867497974 670614843 /nfs/dbraw/zinc/61/48/43/670614843.db2.gz GQGQEOQZXOJZFA-SFHVURJKSA-N -1 1 356.413 0.394 10 0 FCAEMM COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1 ZINC000843013770 670765930 /nfs/dbraw/zinc/76/59/30/670765930.db2.gz AIGIPLFSKUKCLX-UHFFFAOYSA-N -1 1 355.416 0.412 10 0 FCAEMM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)N(C)CC(F)(F)F ZINC000843013258 670766124 /nfs/dbraw/zinc/76/61/24/670766124.db2.gz FPMACKXAKYVESN-JTQLQIEISA-N -1 1 359.414 0.799 10 0 FCAEMM COc1cc2c(cc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)OCO2 ZINC000843016438 670767455 /nfs/dbraw/zinc/76/74/55/670767455.db2.gz RVHZPJCJIZYKAP-UHFFFAOYSA-N -1 1 370.427 0.968 10 0 FCAEMM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018643 670768575 /nfs/dbraw/zinc/76/85/75/670768575.db2.gz QTGUANHKLNFPFX-ZDUSSCGKSA-N -1 1 359.492 0.708 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CN2Cc3ccccc3C2=O)CCC1 ZINC000843018820 670768764 /nfs/dbraw/zinc/76/87/64/670768764.db2.gz UFGIANILYPIJAC-UHFFFAOYSA-N -1 1 365.455 0.573 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Br)n1 ZINC000867332900 670852984 /nfs/dbraw/zinc/85/29/84/670852984.db2.gz FQUVFZUIDVAJIW-UHFFFAOYSA-N -1 1 356.217 0.980 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1 ZINC000867345112 670892577 /nfs/dbraw/zinc/89/25/77/670892577.db2.gz XAJHSXBGDFJUPT-GWNMQOMSSA-N -1 1 351.416 0.965 10 0 FCAEMM COC1(CS(=O)(=O)[N-]N=c2cc(Cl)[nH]c(C)n2)CCOCC1 ZINC000844664191 670933171 /nfs/dbraw/zinc/93/31/71/670933171.db2.gz KTKXBTZNEMHSKA-UHFFFAOYSA-N -1 1 350.828 0.880 10 0 FCAEMM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000846456890 671113515 /nfs/dbraw/zinc/11/35/15/671113515.db2.gz ZHHMXCHJGRUMSH-UHFFFAOYSA-N -1 1 351.403 0.507 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCN(C)C(=O)C2)c1C(F)(F)F ZINC000867427957 671122370 /nfs/dbraw/zinc/12/23/70/671122370.db2.gz ANEZMJPYDADNOI-QMMMGPOBSA-N -1 1 354.354 0.586 10 0 FCAEMM CCON(C)C(=O)CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847391888 671188772 /nfs/dbraw/zinc/18/87/72/671188772.db2.gz HPUKZOVGSQWIQY-NXEZZACHSA-N -1 1 368.356 0.637 10 0 FCAEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C1CCCCCC1 ZINC000848510623 671282477 /nfs/dbraw/zinc/28/24/77/671282477.db2.gz VJGIPQZGHQTRMX-ZDUSSCGKSA-N -1 1 369.505 0.853 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000851503765 671445904 /nfs/dbraw/zinc/44/59/04/671445904.db2.gz JXIUQZWNZQKXTA-AWEZNQCLSA-N -1 1 354.444 0.306 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cnn1C ZINC000851699321 671459759 /nfs/dbraw/zinc/45/97/59/671459759.db2.gz AZIFAFNJNYNXRW-VHSXEESVSA-N -1 1 362.308 0.465 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)on1 ZINC000851813557 671469678 /nfs/dbraw/zinc/46/96/78/671469678.db2.gz VIOPQODEHIUENN-UHFFFAOYSA-N -1 1 364.376 0.704 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)c1Cl ZINC000851834351 671472412 /nfs/dbraw/zinc/47/24/12/671472412.db2.gz VLMGOFMJJOIXIE-SNVBAGLBSA-N -1 1 361.855 0.642 10 0 FCAEMM C[C@@H]1CN(CC[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CCO1 ZINC000852734412 671520880 /nfs/dbraw/zinc/52/08/80/671520880.db2.gz AXEJJOYXMQMMLK-GRYCIOLGSA-N -1 1 367.368 0.303 10 0 FCAEMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000852765718 671524711 /nfs/dbraw/zinc/52/47/11/671524711.db2.gz RLZWWLMALQQUDM-QMMMGPOBSA-N -1 1 353.345 0.996 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc(C(N)=O)o2)CCC1 ZINC000853130626 671538150 /nfs/dbraw/zinc/53/81/50/671538150.db2.gz DNHFDPJDTQKUDR-ALCCZGGFSA-N -1 1 355.416 0.322 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)COC1 ZINC000903174966 675918284 /nfs/dbraw/zinc/91/82/84/675918284.db2.gz AYMKKKUTYRZDAC-UHFFFAOYSA-N -1 1 357.812 0.571 10 0 FCAEMM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858906818 671781868 /nfs/dbraw/zinc/78/18/68/671781868.db2.gz QXQOCSKDNKJBCI-UHFFFAOYSA-N -1 1 361.214 0.306 10 0 FCAEMM O=S(=O)([N-]CC1(O)CCOCC1)c1ccc(Br)nc1F ZINC000859004585 671788958 /nfs/dbraw/zinc/78/89/58/671788958.db2.gz HEMKMUSRUDJYRC-UHFFFAOYSA-N -1 1 369.212 0.803 10 0 FCAEMM COC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)nc1F)OC ZINC000859100851 671793535 /nfs/dbraw/zinc/79/35/35/671793535.db2.gz KCGQGJPPYNAGOL-SSDOTTSWSA-N -1 1 357.201 0.923 10 0 FCAEMM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859115182 671794410 /nfs/dbraw/zinc/79/44/10/671794410.db2.gz UXQZWACERLSIMH-UHFFFAOYSA-N -1 1 354.201 0.740 10 0 FCAEMM O=S(=O)([N-][C@H]1CCN(c2ccc3nncn3n2)C1)c1c[nH]nc1Cl ZINC000859300469 671812207 /nfs/dbraw/zinc/81/22/07/671812207.db2.gz BAVIVDBNURUYDI-QMMMGPOBSA-N -1 1 368.810 0.058 10 0 FCAEMM COc1cncc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000863532886 672134098 /nfs/dbraw/zinc/13/40/98/672134098.db2.gz MIPRVRRLAOEODK-ONGXEEELSA-N -1 1 362.308 0.581 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)N2CCOCC2)c1C(F)(F)F ZINC000866404890 672270966 /nfs/dbraw/zinc/27/09/66/672270966.db2.gz XDIXWSZDNMCJGN-UHFFFAOYSA-N -1 1 370.397 0.828 10 0 FCAEMM C[C@H]1COCCN1CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866736594 672294644 /nfs/dbraw/zinc/29/46/44/672294644.db2.gz ZHUWDBBBGXSSAP-XMHCIUCPSA-N -1 1 361.489 0.698 10 0 FCAEMM Cn1cnc(CCC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC000867447187 672317219 /nfs/dbraw/zinc/31/72/19/672317219.db2.gz PYMUPDHJQAPZGX-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H](N3CCOCC3)C2(C)C)c1Cl ZINC000867452587 672318123 /nfs/dbraw/zinc/31/81/23/672318123.db2.gz HITGMJIFZPTWSG-WDEREUQCSA-N -1 1 362.883 0.851 10 0 FCAEMM CCN1C[C@@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000867461583 672320101 /nfs/dbraw/zinc/32/01/01/672320101.db2.gz VJMSHDJUJCMCBB-MRVPVSSYSA-N -1 1 354.354 0.586 10 0 FCAEMM CCOC(=O)C1(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CCC1 ZINC000867502320 672326805 /nfs/dbraw/zinc/32/68/05/672326805.db2.gz RMCJLMWFPGMHMI-ZDUSSCGKSA-N -1 1 366.439 0.979 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@H](C)CO1 ZINC000867503111 672327136 /nfs/dbraw/zinc/32/71/36/672327136.db2.gz BIGZHDPERRKSSE-NXEZZACHSA-N -1 1 370.397 0.826 10 0 FCAEMM O=C1N(CC[N-]S(=O)(=O)c2ccc(F)nc2F)C[C@H]2CCCCN12 ZINC000867529308 672331971 /nfs/dbraw/zinc/33/19/71/672331971.db2.gz JUDADJOMTVKZQF-SNVBAGLBSA-N -1 1 360.386 0.928 10 0 FCAEMM O=C1N(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)C[C@@H]2CCCCN12 ZINC000867530426 672332398 /nfs/dbraw/zinc/33/23/98/672332398.db2.gz WFEVIUNVWLQLGC-LBPRGKRZSA-N -1 1 364.493 0.373 10 0 FCAEMM O=C([N-]CC1CN(S(=O)(=O)CCOCC2CCC2)C1)C(F)(F)F ZINC000867900196 672379999 /nfs/dbraw/zinc/37/99/99/672379999.db2.gz GAIGRXOIAXUBJP-UHFFFAOYSA-N -1 1 358.382 0.743 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCN2CCOC2=O)C1 ZINC000868281891 672392184 /nfs/dbraw/zinc/39/21/84/672392184.db2.gz VVGKPMPTHHLLIT-ZDUSSCGKSA-N -1 1 366.340 0.681 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)co1 ZINC000871440526 672551163 /nfs/dbraw/zinc/55/11/63/672551163.db2.gz SJNMZIZWJRVEQS-LLVKDONJSA-N -1 1 356.322 0.981 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCC2 ZINC000871671233 672565941 /nfs/dbraw/zinc/56/59/41/672565941.db2.gz JKXKSUZBFAIIOL-CYBMUJFWSA-N -1 1 354.428 0.839 10 0 FCAEMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872482769 672624478 /nfs/dbraw/zinc/62/44/78/672624478.db2.gz ZSXQIBQZEOEVLY-LAJNKCICSA-N -1 1 353.510 0.976 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)c(=O)n(C)c1=O ZINC000800158078 673419268 /nfs/dbraw/zinc/41/92/68/673419268.db2.gz MYJKAGQRSVKLBQ-GFCCVEGCSA-N -1 1 369.830 0.183 10 0 FCAEMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000926331594 673823896 /nfs/dbraw/zinc/82/38/96/673823896.db2.gz GSHJJKJHXFIAFZ-RDTXWAMCSA-N -1 1 351.447 0.785 10 0 FCAEMM CC(=O)NC[C@@H]1CN(C(=O)NCCc2c(F)cc([O-])cc2F)CCO1 ZINC000927781797 673881132 /nfs/dbraw/zinc/88/11/32/673881132.db2.gz VAXHTKWGJKIFIN-GFCCVEGCSA-N -1 1 357.357 0.759 10 0 FCAEMM CN1CCOC[C@@]1(CO)CNC(=O)NCCc1c(F)cc([O-])cc1F ZINC000927784853 673881152 /nfs/dbraw/zinc/88/11/52/673881152.db2.gz NGDWWLFURPZKEJ-INIZCTEOSA-N -1 1 359.373 0.205 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000927938810 673892025 /nfs/dbraw/zinc/89/20/25/673892025.db2.gz HYYWIFVTYPHPTG-FZMZJTMJSA-N -1 1 353.394 0.772 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2cncnc2)CCN1C(=O)c1ncccc1[O-] ZINC001719629558 1170851232 /nfs/dbraw/zinc/85/12/32/1170851232.db2.gz XDNOKOZAHYFXEF-OCCSQVGLSA-N -1 1 355.398 0.929 10 0 FCAEMM CC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001719698777 1179494307 /nfs/dbraw/zinc/49/43/07/1179494307.db2.gz JOKWZJIJAQIGAK-HBNTYKKESA-N -1 1 366.418 0.767 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1COc2ccccc2[C@H]1O ZINC001687390502 1188303818 /nfs/dbraw/zinc/30/38/18/1188303818.db2.gz AHBGUOYRXWXWKC-CZUORRHYSA-N -1 1 372.381 0.549 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687390725 1188352048 /nfs/dbraw/zinc/35/20/48/1188352048.db2.gz IBDAXALQUPPNQN-ZJUUUORDSA-N -1 1 350.375 0.396 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001719925689 1191216867 /nfs/dbraw/zinc/21/68/67/1191216867.db2.gz AFZKHMBKEGGKNU-BFLSOPEQSA-N -1 1 362.365 0.027 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000909236246 1195788467 /nfs/dbraw/zinc/78/84/67/1195788467.db2.gz QDGPKQJNIFNEJL-SHTZXODSSA-N -1 1 370.494 0.676 10 0 FCAEMM Cc1cc(C)nc(-n2[n-]c(C(=O)NCCCCN3CCOCC3)cc2=O)n1 ZINC000741742293 1198115788 /nfs/dbraw/zinc/11/57/88/1198115788.db2.gz VUJJDZBPFRPHLN-UHFFFAOYSA-N -1 1 374.445 0.415 10 0 FCAEMM COc1cccc([C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CCO2)c1 ZINC000766628250 1199056955 /nfs/dbraw/zinc/05/69/55/1199056955.db2.gz RTLYFLWWZJKGRP-OAHLLOKOSA-N -1 1 359.382 0.535 10 0 FCAEMM COC(=O)C1=NOC2(C1)CCN(C(=O)c1nc3ccccc3c(=O)[n-]1)CC2 ZINC000766833732 1199094625 /nfs/dbraw/zinc/09/46/25/1199094625.db2.gz BMXRCEANZDZOJL-UHFFFAOYSA-N -1 1 370.365 0.847 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CNC(=O)c2cccnc2)cc1 ZINC000767605564 1199987162 /nfs/dbraw/zinc/98/71/62/1199987162.db2.gz HYLOPBPLNMITNA-UHFFFAOYSA-N -1 1 371.349 0.320 10 0 FCAEMM COc1cc2c(cc1OC)CN(CC(=O)OCc1nc(=O)n(C)[n-]1)CC2 ZINC000786814038 1200852686 /nfs/dbraw/zinc/85/26/86/1200852686.db2.gz ZYKNOHBUBDSALQ-UHFFFAOYSA-N -1 1 362.386 0.227 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)n[n-]1 ZINC000787916276 1200920487 /nfs/dbraw/zinc/92/04/87/1200920487.db2.gz TVUNSDCNMAKCPV-UHFFFAOYSA-N -1 1 359.321 0.631 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000787916276 1200920492 /nfs/dbraw/zinc/92/04/92/1200920492.db2.gz TVUNSDCNMAKCPV-UHFFFAOYSA-N -1 1 359.321 0.631 10 0 FCAEMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccnc(N2CCOCC2)n1 ZINC001129758831 1201385057 /nfs/dbraw/zinc/38/50/57/1201385057.db2.gz JFFVKLQHSRVEDP-UHFFFAOYSA-N -1 1 356.386 0.940 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(N2CCCC2=O)cc1 ZINC001136159699 1203143862 /nfs/dbraw/zinc/14/38/62/1203143862.db2.gz HKPBOZDNKJXVIQ-UHFFFAOYSA-N -1 1 368.393 0.960 10 0 FCAEMM CCON(C)C(=O)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000846501372 1204634179 /nfs/dbraw/zinc/63/41/79/1204634179.db2.gz GVOHHIPBZMGMIF-UHFFFAOYSA-N -1 1 359.386 0.621 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001175214856 1206301887 /nfs/dbraw/zinc/30/18/87/1206301887.db2.gz SPKPAWCYTNAMSV-AWEZNQCLSA-N -1 1 372.381 0.655 10 0 FCAEMM COC(=O)C1(O)CN(C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC001175346783 1206303636 /nfs/dbraw/zinc/30/36/36/1206303636.db2.gz WCZVRRUYJIMIGX-UHFFFAOYSA-N -1 1 372.381 0.232 10 0 FCAEMM CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001177685205 1206344550 /nfs/dbraw/zinc/34/45/50/1206344550.db2.gz GOTIDBIOYJYJOA-LLVKDONJSA-N -1 1 362.342 0.668 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC1(c2ncccn2)CCOCC1 ZINC001178630852 1206360515 /nfs/dbraw/zinc/36/05/15/1206360515.db2.gz FIJUJFPZXORTKF-UHFFFAOYSA-N -1 1 357.370 0.129 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc(-n2cncn2)cc1 ZINC000121367594 1207566948 /nfs/dbraw/zinc/56/69/48/1207566948.db2.gz MHVQEJYSLLNTJZ-UHFFFAOYSA-N -1 1 365.353 0.706 10 0 FCAEMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001487544251 1208378780 /nfs/dbraw/zinc/37/87/80/1208378780.db2.gz AGGQFTABBVWJEC-UPJWGTAASA-N -1 1 362.430 0.704 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489314843 1208760141 /nfs/dbraw/zinc/76/01/41/1208760141.db2.gz YSCBWFDNHCCVIV-HIFRSBDPSA-N -1 1 358.446 0.324 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001489334789 1208770407 /nfs/dbraw/zinc/77/04/07/1208770407.db2.gz DHFGGOPVQBESGI-NQCFCXBZSA-N -1 1 360.414 0.717 10 0 FCAEMM CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001490113008 1209238472 /nfs/dbraw/zinc/23/84/72/1209238472.db2.gz NJXGISIVYZNTIB-UTLUCORTSA-N -1 1 368.390 0.041 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490381865 1209329850 /nfs/dbraw/zinc/32/98/50/1209329850.db2.gz JXIHYTBUKIUQGF-MBNYWOFBSA-N -1 1 362.430 0.526 10 0 FCAEMM C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001490410586 1209346064 /nfs/dbraw/zinc/34/60/64/1209346064.db2.gz VAECSZHDYUREAK-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001490410564 1209346213 /nfs/dbraw/zinc/34/62/13/1209346213.db2.gz UHNZYXDWUABXHV-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001490560149 1209373987 /nfs/dbraw/zinc/37/39/87/1209373987.db2.gz SBPXLSJLXQQLDO-XBFCOCLRSA-N -1 1 360.414 0.958 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001490785060 1209430820 /nfs/dbraw/zinc/43/08/20/1209430820.db2.gz VFPWSUMOICKSNT-LPWJVIDDSA-N -1 1 360.414 0.564 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000859277771 1209815079 /nfs/dbraw/zinc/81/50/79/1209815079.db2.gz AYIAVHVNFUUCDL-NWDGAFQWSA-N -1 1 364.406 0.713 10 0 FCAEMM CN(C[C@H](O)CN1CCOCC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783155 1211581336 /nfs/dbraw/zinc/58/13/36/1211581336.db2.gz VFBXLNGBWANQMI-ZDUSSCGKSA-N -1 1 373.400 0.547 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000927943901 1211594066 /nfs/dbraw/zinc/59/40/66/1211594066.db2.gz VLHGMDXKJLGSSY-HOTGVXAUSA-N -1 1 361.442 0.994 10 0 FCAEMM O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000956872993 1213218852 /nfs/dbraw/zinc/21/88/52/1213218852.db2.gz SOHBPWXVEAVUIJ-LLVKDONJSA-N -1 1 355.354 0.891 10 0 FCAEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000900055222 1217957430 /nfs/dbraw/zinc/95/74/30/1217957430.db2.gz LMFWWBLENGOCCI-ZDUSSCGKSA-N -1 1 360.414 0.771 10 0 FCAEMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798145087 1221279311 /nfs/dbraw/zinc/27/93/11/1221279311.db2.gz FUCQNJIBIOWHAT-SMDDNHRTSA-N -1 1 370.413 0.918 10 0 FCAEMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001117426402 1221544705 /nfs/dbraw/zinc/54/47/05/1221544705.db2.gz MBVKUNSZWHQDRT-SNVBAGLBSA-N -1 1 369.429 0.378 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](c3cccnc3)C3CC3)ccnc1-2 ZINC001117429240 1221544716 /nfs/dbraw/zinc/54/47/16/1221544716.db2.gz ZUGUBIAJWKZKEB-OAHLLOKOSA-N -1 1 350.382 0.943 10 0 FCAEMM COC[C@H](CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)OC ZINC001118718773 1221823539 /nfs/dbraw/zinc/82/35/39/1221823539.db2.gz IZWVDSQXZRELPW-AWEZNQCLSA-N -1 1 360.414 0.851 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1c1nnc(-c2cn(C)nn2)n1C ZINC000828244043 1222398520 /nfs/dbraw/zinc/39/85/20/1222398520.db2.gz ZUTPOCLWFANZQZ-RKDXNWHRSA-N -1 1 372.355 0.646 10 0 FCAEMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001141402795 1222668755 /nfs/dbraw/zinc/66/87/55/1222668755.db2.gz ACHVGXAHBTVCLE-LBPRGKRZSA-N -1 1 368.434 0.736 10 0 FCAEMM CN(C(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)c1nn[n-]n1 ZINC001149220094 1222880603 /nfs/dbraw/zinc/88/06/03/1222880603.db2.gz PYJJZOLCCOFXMU-HNNXBMFYSA-N -1 1 365.394 0.709 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC001149249800 1222881183 /nfs/dbraw/zinc/88/11/83/1222881183.db2.gz VKYNOSAZCGYXDE-UHFFFAOYSA-N -1 1 372.433 0.165 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)n[n-]1 ZINC001166126443 1223267882 /nfs/dbraw/zinc/26/78/82/1223267882.db2.gz LFYPKKWTPNVNMN-SECBINFHSA-N -1 1 373.369 0.828 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[n-]1 ZINC001166126443 1223267886 /nfs/dbraw/zinc/26/78/86/1223267886.db2.gz LFYPKKWTPNVNMN-SECBINFHSA-N -1 1 373.369 0.828 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC001166126443 1223267889 /nfs/dbraw/zinc/26/78/89/1223267889.db2.gz LFYPKKWTPNVNMN-SECBINFHSA-N -1 1 373.369 0.828 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCC(=O)N1CCCO1 ZINC001329497698 1265769938 /nfs/dbraw/zinc/76/99/38/1265769938.db2.gz PMODQZIUCZOJCN-UHFFFAOYSA-N -1 1 357.370 0.375 10 0 FCAEMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001330521278 1266046677 /nfs/dbraw/zinc/04/66/77/1266046677.db2.gz UZZRWCQSIRQOBI-ZDUSSCGKSA-N -1 1 367.446 0.069 10 0 FCAEMM COCCCn1nc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1=O ZINC001330803601 1266101286 /nfs/dbraw/zinc/10/12/86/1266101286.db2.gz AQROZFDDOVCUPQ-NSHDSACASA-N -1 1 363.374 0.388 10 0 FCAEMM CCC[C@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)c1nn[n-]n1 ZINC001331298740 1266185778 /nfs/dbraw/zinc/18/57/78/1266185778.db2.gz ARLMDEHZMONEAA-ZDUSSCGKSA-N -1 1 363.422 0.554 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)Cc1ccccc1 ZINC001235543938 1259576105 /nfs/dbraw/zinc/57/61/05/1259576105.db2.gz IPACPKIAUPXARO-CYBMUJFWSA-N -1 1 358.398 0.658 10 0 FCAEMM COC(=O)[C@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CC1)c1ccccc1 ZINC001335530188 1259701137 /nfs/dbraw/zinc/70/11/37/1259701137.db2.gz MZVXBFSWVADGLZ-OAHLLOKOSA-N -1 1 355.412 0.947 10 0 FCAEMM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1(C(=O)OC)CC1)c1ccccc1 ZINC001335530184 1259701407 /nfs/dbraw/zinc/70/14/07/1259701407.db2.gz MZVXBFSWVADGLZ-HNNXBMFYSA-N -1 1 355.412 0.947 10 0 FCAEMM CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001335764219 1259829060 /nfs/dbraw/zinc/82/90/60/1259829060.db2.gz MLGJKTXXJGKQPI-CABCVRRESA-N -1 1 372.368 0.639 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](CO)Cc1ccccc1 ZINC001254487473 1259886807 /nfs/dbraw/zinc/88/68/07/1259886807.db2.gz CBLBXRCCBDBVJH-AWEZNQCLSA-N -1 1 372.425 0.905 10 0 FCAEMM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC001331845590 1266293947 /nfs/dbraw/zinc/29/39/47/1266293947.db2.gz MLQVVUYVTFLPTD-OAHLLOKOSA-N -1 1 359.426 0.598 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)nnn1Cc1ccncc1 ZINC001257460594 1260015378 /nfs/dbraw/zinc/01/53/78/1260015378.db2.gz XULVSIAFRQMBIQ-CYBMUJFWSA-N -1 1 353.390 0.563 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@@H](O)CC[C@H]1C ZINC001262030331 1260248278 /nfs/dbraw/zinc/24/82/78/1260248278.db2.gz FYLUXUQLWSCIMD-OCCSQVGLSA-N -1 1 364.446 0.632 10 0 FCAEMM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264718819 1260401144 /nfs/dbraw/zinc/40/11/44/1260401144.db2.gz BJQXWXNJKSSSDX-DYEKYZERSA-N -1 1 360.418 0.050 10 0 FCAEMM Cc1cc(N2CCC[C@@H](NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)C2)n(C)n1 ZINC001332181973 1266351193 /nfs/dbraw/zinc/35/11/93/1266351193.db2.gz VRGWQTNYIYHNAB-HUUCEWRRSA-N -1 1 363.462 0.610 10 0 FCAEMM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001281798195 1261200987 /nfs/dbraw/zinc/20/09/87/1261200987.db2.gz ZHQVEXFBEBDRKH-CHWSQXEVSA-N -1 1 364.446 0.326 10 0 FCAEMM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)c1ccc2n[n-]c(=S)n2c1 ZINC001471998517 1261423868 /nfs/dbraw/zinc/42/38/68/1261423868.db2.gz UAMWBCQHHGGTGM-UHFFFAOYSA-N -1 1 372.414 0.492 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)co1 ZINC001472174605 1261447393 /nfs/dbraw/zinc/44/73/93/1261447393.db2.gz ZCZYEPNHVSOLNF-LBPRGKRZSA-N -1 1 358.416 0.646 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001472381813 1261461344 /nfs/dbraw/zinc/46/13/44/1261461344.db2.gz COORLJRGVKOMKV-KCJUWKMLSA-N -1 1 367.353 0.100 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC001472498626 1261471903 /nfs/dbraw/zinc/47/19/03/1261471903.db2.gz PPKKRWQZPBZCTE-NSHDSACASA-N -1 1 363.399 0.195 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)[n-]1 ZINC001472498626 1261471906 /nfs/dbraw/zinc/47/19/06/1261471906.db2.gz PPKKRWQZPBZCTE-NSHDSACASA-N -1 1 363.399 0.195 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCN2C(=O)CCc3ccccc32)n[n-]1 ZINC001472544765 1261474208 /nfs/dbraw/zinc/47/42/08/1261474208.db2.gz FTGXHZFQZXUUCT-UHFFFAOYSA-N -1 1 371.397 0.967 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCN2C(=O)CCc3ccccc32)n1 ZINC001472544765 1261474210 /nfs/dbraw/zinc/47/42/10/1261474210.db2.gz FTGXHZFQZXUUCT-UHFFFAOYSA-N -1 1 371.397 0.967 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)C1=COCCO1 ZINC001282519830 1261501899 /nfs/dbraw/zinc/50/18/99/1261501899.db2.gz WKCOFSMODPPOPP-CHWSQXEVSA-N -1 1 361.398 0.890 10 0 FCAEMM CCNC(=O)CC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282532736 1261509715 /nfs/dbraw/zinc/50/97/15/1261509715.db2.gz HEJQSNOYYMCZFO-CHWSQXEVSA-N -1 1 362.430 0.528 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CCC1 ZINC001282769979 1261620604 /nfs/dbraw/zinc/62/06/04/1261620604.db2.gz WLWUEDFLBOXBNF-UPJWGTAASA-N -1 1 372.425 0.565 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001284553708 1261765438 /nfs/dbraw/zinc/76/54/38/1261765438.db2.gz AWHSWSKPARELLU-ZIAGYGMSSA-N -1 1 364.446 0.184 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001287620319 1261964256 /nfs/dbraw/zinc/96/42/56/1261964256.db2.gz MEGSOYDWTCZVSS-RSNWOKGLSA-N -1 1 360.414 0.673 10 0 FCAEMM COCCCOCC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001288936496 1262044857 /nfs/dbraw/zinc/04/48/57/1262044857.db2.gz CZCKTFMYHZDYHM-UONOGXRCSA-N -1 1 363.414 0.513 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001289899397 1262365359 /nfs/dbraw/zinc/36/53/59/1262365359.db2.gz DOVASRYSMPVQDZ-VXGBXAGGSA-N -1 1 360.414 0.471 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001290928413 1262537812 /nfs/dbraw/zinc/53/78/12/1262537812.db2.gz ULBNLZUKPBWBOC-FRRDWIJNSA-N -1 1 362.430 0.526 10 0 FCAEMM O=C(c1c(C(F)F)nc2cnccn21)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296955754 1262843828 /nfs/dbraw/zinc/84/38/28/1262843828.db2.gz IOLVWMMKHKISPO-UHFFFAOYSA-N -1 1 364.316 0.304 10 0 FCAEMM C[C@@]1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001299707917 1262976481 /nfs/dbraw/zinc/97/64/81/1262976481.db2.gz QOKOXLCVGXNDLB-SOZUMNATSA-N -1 1 360.414 0.267 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC001301412770 1263005439 /nfs/dbraw/zinc/00/54/39/1263005439.db2.gz TZJLYIHEHQAJCU-LBPRGKRZSA-N -1 1 369.299 0.784 10 0 FCAEMM Cn1nc(C2CCOCC2)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302842642 1263062253 /nfs/dbraw/zinc/06/22/53/1263062253.db2.gz RLPOOQNBTFJCBG-UHFFFAOYSA-N -1 1 373.413 0.812 10 0 FCAEMM Cn1ccc(-c2cc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)no2)n1 ZINC001302843141 1263063306 /nfs/dbraw/zinc/06/33/06/1263063306.db2.gz YCTRFUFUYDTHEI-UHFFFAOYSA-N -1 1 356.342 0.573 10 0 FCAEMM Cc1cccc2c(=O)n(CC(=O)N(Cc3nn[n-]n3)CC(C)C)cnc12 ZINC001303199293 1263083228 /nfs/dbraw/zinc/08/32/28/1263083228.db2.gz AYABQQUNEQZLED-UHFFFAOYSA-N -1 1 355.402 0.903 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001303202107 1263083865 /nfs/dbraw/zinc/08/38/65/1263083865.db2.gz UVKQRTPAKKESLA-LBPRGKRZSA-N -1 1 368.438 0.820 10 0 FCAEMM Cc1c(C(=O)N(Cc2nn[n-]n2)CC(C)C)nnn1Cc1ccncc1 ZINC001303200639 1263084399 /nfs/dbraw/zinc/08/43/99/1263084399.db2.gz DCSMEBVFGYMADN-UHFFFAOYSA-N -1 1 355.406 0.841 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CO)CC1CCCC1 ZINC001479155878 1263173136 /nfs/dbraw/zinc/17/31/36/1263173136.db2.gz DROUTFMOOFJTDL-LBPRGKRZSA-N -1 1 350.419 0.995 10 0 FCAEMM O=C(NCCCOC[C@@H]1CCOC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155943 1263173252 /nfs/dbraw/zinc/17/32/52/1263173252.db2.gz FJKDCJNOFAHMNG-LBPRGKRZSA-N -1 1 366.418 0.497 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001484864252 1263490108 /nfs/dbraw/zinc/49/01/08/1263490108.db2.gz CKCILFLAGSJWIK-YPMHNXCESA-N -1 1 353.423 0.080 10 0 FCAEMM CN(CCNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Cc1nc(=O)n(C)[n-]1 ZINC001317454732 1263511001 /nfs/dbraw/zinc/51/10/01/1263511001.db2.gz SKCKJKDXPCYAQK-CVEARBPZSA-N -1 1 357.458 0.925 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001500501890 1264071487 /nfs/dbraw/zinc/07/14/87/1264071487.db2.gz IXWLEMCZMBDGIF-XUWXXGDYSA-N -1 1 365.478 0.642 10 0 FCAEMM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001501812310 1264144304 /nfs/dbraw/zinc/14/43/04/1264144304.db2.gz DTSBNAOYMQCKPI-XCUNLHGCSA-N -1 1 355.398 0.727 10 0 FCAEMM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001501812309 1264144604 /nfs/dbraw/zinc/14/46/04/1264144604.db2.gz DTSBNAOYMQCKPI-LLGAQUFESA-N -1 1 355.398 0.727 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H](N2CC[C@@H](CC(N)=O)C2)C1=O ZINC001322874646 1264286319 /nfs/dbraw/zinc/28/63/19/1264286319.db2.gz ANHKFNPPRRERLX-SMDDNHRTSA-N -1 1 359.382 0.522 10 0 FCAEMM O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001324103161 1264576558 /nfs/dbraw/zinc/57/65/58/1264576558.db2.gz OKLOIDUVRUOWOS-LBPRGKRZSA-N -1 1 369.385 0.378 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3cc(F)cc4c3OCOC4)nc2n1 ZINC001324295452 1264612760 /nfs/dbraw/zinc/61/27/60/1264612760.db2.gz SUWLPMKHPLXUJP-UHFFFAOYSA-N -1 1 359.317 0.913 10 0 FCAEMM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)C(F)(F)F ZINC001512925770 1264742657 /nfs/dbraw/zinc/74/26/57/1264742657.db2.gz BCPXREKPGYZUMU-FXPVBKGRSA-N -1 1 361.320 0.677 10 0 FCAEMM CSCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001512947747 1264758075 /nfs/dbraw/zinc/75/80/75/1264758075.db2.gz GNZZZZWKNQZUBX-VXGBXAGGSA-N -1 1 366.443 0.114 10 0 FCAEMM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001513291304 1265020152 /nfs/dbraw/zinc/02/01/52/1265020152.db2.gz KLQSTFLPNFDXMS-ZYHUDNBSSA-N -1 1 360.418 0.431 10 0 FCAEMM COCc1ccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cc1C(F)(F)F ZINC001327218045 1265257571 /nfs/dbraw/zinc/25/75/71/1265257571.db2.gz RPSDLFSVKWZZEL-UHFFFAOYSA-N -1 1 374.275 0.373 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3c(=O)cnc4ccccc43)nc2n1 ZINC001327649884 1265386314 /nfs/dbraw/zinc/38/63/14/1265386314.db2.gz JEYYKSOFFUZZOP-UHFFFAOYSA-N -1 1 351.326 0.075 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC001526547425 1266816203 /nfs/dbraw/zinc/81/62/03/1266816203.db2.gz BKPTZTWWSJUDFW-UHFFFAOYSA-N -1 1 371.380 0.989 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC001526547425 1266816228 /nfs/dbraw/zinc/81/62/28/1266816228.db2.gz BKPTZTWWSJUDFW-UHFFFAOYSA-N -1 1 371.380 0.989 10 0 FCAEMM COc1cnc(C2(NC(=O)CCN3CCOCC3)CCCC2)[n-]c1=O ZINC001529145359 1267035511 /nfs/dbraw/zinc/03/55/11/1267035511.db2.gz CPRAWQCWGXBJDX-UHFFFAOYSA-N -1 1 350.419 0.799 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@]3(C4CCCC4)CCNC3=O)nc2n1 ZINC001533838507 1267241245 /nfs/dbraw/zinc/24/12/45/1267241245.db2.gz CAEDWYGZORKPQS-QGZVFWFLSA-N -1 1 358.402 0.615 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccnc(N3CCOCC3)n2)[n-]1 ZINC001537615322 1267376947 /nfs/dbraw/zinc/37/69/47/1267376947.db2.gz LXOQEOOGINKQQB-UHFFFAOYSA-N -1 1 373.369 0.883 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cn2nc3n(c2=O)CCCC3)[n-]1 ZINC001537615075 1267377655 /nfs/dbraw/zinc/37/76/55/1267377655.db2.gz DWNZYDTVKGUYKF-UHFFFAOYSA-N -1 1 361.358 0.337 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2nn[n-]n2)cc1 ZINC001540415867 1267447045 /nfs/dbraw/zinc/44/70/45/1267447045.db2.gz OQUAIDVGWIQIRZ-UHFFFAOYSA-N -1 1 366.447 0.479 10 0 FCAEMM COc1cccc(C(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1OC ZINC001540406627 1267447305 /nfs/dbraw/zinc/44/73/05/1267447305.db2.gz MKOODHFYXNKBCN-UHFFFAOYSA-N -1 1 374.401 0.134 10 0 FCAEMM CCOCCOC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC001543080934 1267522996 /nfs/dbraw/zinc/52/29/96/1267522996.db2.gz DJGXYZIJTWDFRK-UHFFFAOYSA-N -1 1 360.432 0.845 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(C(=O)OC)cc3)nc2n1 ZINC001543196005 1267531319 /nfs/dbraw/zinc/53/13/19/1267531319.db2.gz ICLJEEPJXNPOND-UHFFFAOYSA-N -1 1 355.354 0.948 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001546037702 1267633201 /nfs/dbraw/zinc/63/32/01/1267633201.db2.gz NXPTYBDAMLRLEH-RNZFLTOJSA-N -1 1 354.370 0.950 10 0 FCAEMM COc1cc(CO)ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001546107058 1267635479 /nfs/dbraw/zinc/63/54/79/1267635479.db2.gz YKJRYJFMVFLCLI-UHFFFAOYSA-N -1 1 352.368 0.793 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC001546190149 1267638869 /nfs/dbraw/zinc/63/88/69/1267638869.db2.gz FWMZFJXKTZMLQP-UHFFFAOYSA-N -1 1 354.374 0.984 10 0 FCAEMM O=C(CO)NCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC001556223748 1268832770 /nfs/dbraw/zinc/83/27/70/1268832770.db2.gz YTBCLIFPMOVIGR-UHFFFAOYSA-N -1 1 363.414 0.892 10 0 FCAEMM O=C(CN1Cc2ccccc2OC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348216 1268847539 /nfs/dbraw/zinc/84/75/39/1268847539.db2.gz BKXFEJJJDRZADA-UHFFFAOYSA-N -1 1 358.358 0.024 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)n[n-]1 ZINC001557453234 1268948329 /nfs/dbraw/zinc/94/83/29/1268948329.db2.gz IXPYPPVHEFTQLE-ZJUUUORDSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)[n-]1 ZINC001557453234 1268948333 /nfs/dbraw/zinc/94/83/33/1268948333.db2.gz IXPYPPVHEFTQLE-ZJUUUORDSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OC)n1 ZINC001557453234 1268948340 /nfs/dbraw/zinc/94/83/40/1268948340.db2.gz IXPYPPVHEFTQLE-ZJUUUORDSA-N -1 1 355.395 0.929 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC001557589990 1268956117 /nfs/dbraw/zinc/95/61/17/1268956117.db2.gz ZECYGPIABKJKJQ-MVZIDQBPSA-N -1 1 361.431 0.578 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001558049388 1269012451 /nfs/dbraw/zinc/01/24/51/1269012451.db2.gz SEZHZAFIHMWYJW-IHWYPQMZSA-N -1 1 369.381 0.339 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1c(Br)nc2n1CCOC2 ZINC001558173336 1269046318 /nfs/dbraw/zinc/04/63/18/1269046318.db2.gz LKEVKXBQVYXKTK-UHFFFAOYSA-N -1 1 368.195 0.498 10 0 FCAEMM CN1CCn2ncc(C(=O)NCc3ccc([O-])c(Cl)c3)c2S1(=O)=O ZINC001558209642 1269054791 /nfs/dbraw/zinc/05/47/91/1269054791.db2.gz WFDVUKONLWJXOB-UHFFFAOYSA-N -1 1 370.818 0.806 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1ccc2c(c1)OCCCO2 ZINC001558403323 1269085630 /nfs/dbraw/zinc/08/56/30/1269085630.db2.gz LEEZFGVQJHHXBN-UHFFFAOYSA-N -1 1 359.382 0.447 10 0 FCAEMM CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001558684052 1269130973 /nfs/dbraw/zinc/13/09/73/1269130973.db2.gz UBVDTAMZROVLEK-YPMHNXCESA-N -1 1 362.434 0.800 10 0 FCAEMM CCOC(=O)[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC001558922173 1269153706 /nfs/dbraw/zinc/15/37/06/1269153706.db2.gz RYBBKHQENPAPHZ-JTQLQIEISA-N -1 1 352.372 0.494 10 0 FCAEMM CCOC(=O)[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC001558922173 1269153711 /nfs/dbraw/zinc/15/37/11/1269153711.db2.gz RYBBKHQENPAPHZ-JTQLQIEISA-N -1 1 352.372 0.494 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)n[n-]1 ZINC001558965541 1269155234 /nfs/dbraw/zinc/15/52/34/1269155234.db2.gz AIGZZAMXWSZIGN-SECBINFHSA-N -1 1 355.395 0.758 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001558965541 1269155238 /nfs/dbraw/zinc/15/52/38/1269155238.db2.gz AIGZZAMXWSZIGN-SECBINFHSA-N -1 1 355.395 0.758 10 0 FCAEMM C[C@H](CO)[C@@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565247028 1269459147 /nfs/dbraw/zinc/45/91/47/1269459147.db2.gz CBMNPUARUWEQSD-RISCZKNCSA-N -1 1 350.419 0.947 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCO[C@@H](c3nn[n-]n3)C1)C2 ZINC001565614633 1269482843 /nfs/dbraw/zinc/48/28/43/1269482843.db2.gz VWSYYQJMOYGWQU-DYVFJYSZSA-N -1 1 357.370 0.580 10 0 FCAEMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568063243 1269717432 /nfs/dbraw/zinc/71/74/32/1269717432.db2.gz HMGFXWFMPSLZIG-ULSDXFBPSA-N -1 1 361.446 0.652 10 0 FCAEMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])[C@H]2C1 ZINC001570025141 1269832422 /nfs/dbraw/zinc/83/24/22/1269832422.db2.gz HVARGEQFAQVRSB-MELADBBJSA-N -1 1 360.414 0.280 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CO)c1csc(C(C)C)n1 ZINC001570890336 1269920123 /nfs/dbraw/zinc/92/01/23/1269920123.db2.gz WJHYEKGQFNNWAC-SSDOTTSWSA-N -1 1 354.388 0.940 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(Cc3nnn[n-]3)n1C[C@H]1CCOC1)C2 ZINC001344192854 1270111813 /nfs/dbraw/zinc/11/18/13/1270111813.db2.gz WNBQWSZNRIULQZ-QMTHXVAHSA-N -1 1 366.376 0.654 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(Cc3nn[n-]n3)n1C[C@H]1CCOC1)C2 ZINC001344192854 1270111816 /nfs/dbraw/zinc/11/18/16/1270111816.db2.gz WNBQWSZNRIULQZ-QMTHXVAHSA-N -1 1 366.376 0.654 10 0 FCAEMM O=C(CO[C@H]1CCOC1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344275599 1270127021 /nfs/dbraw/zinc/12/70/21/1270127021.db2.gz REUDJHJPJNTJCS-MJBXVCDLSA-N -1 1 363.414 0.607 10 0 FCAEMM CC1(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)CC1 ZINC001574521649 1271300253 /nfs/dbraw/zinc/30/02/53/1271300253.db2.gz BFIUPAQKKYPZSS-MCIONIFRSA-N -1 1 374.441 0.365 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)c2ncccc2[O-])C1)[C@@H]1C[C@H]1C1CCC1 ZINC001718215447 1287477269 /nfs/dbraw/zinc/47/72/69/1287477269.db2.gz BQDBALONOXFKNM-UONOGXRCSA-N -1 1 359.426 0.917 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001583545575 1282099115 /nfs/dbraw/zinc/09/91/15/1282099115.db2.gz KHVRFAWIBPQGNJ-HIFRSBDPSA-N -1 1 356.382 0.949 10 0 FCAEMM O=C(c1ccc(F)c([O-])c1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001631725219 1282107040 /nfs/dbraw/zinc/10/70/40/1282107040.db2.gz KFOKCFWJDVYBNI-UHFFFAOYSA-N -1 1 356.419 0.866 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(N)c1 ZINC001632365556 1282170748 /nfs/dbraw/zinc/17/07/48/1282170748.db2.gz NVPMUXOVZVFSTB-SECBINFHSA-N -1 1 352.420 0.451 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)n[n-]1 ZINC001632567106 1282186380 /nfs/dbraw/zinc/18/63/80/1282186380.db2.gz BYZZZZNVDUERON-SSDOTTSWSA-N -1 1 372.428 0.937 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)[n-]1 ZINC001632567106 1282186386 /nfs/dbraw/zinc/18/63/86/1282186386.db2.gz BYZZZZNVDUERON-SSDOTTSWSA-N -1 1 372.428 0.937 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)n1 ZINC001632567106 1282186389 /nfs/dbraw/zinc/18/63/89/1282186389.db2.gz BYZZZZNVDUERON-SSDOTTSWSA-N -1 1 372.428 0.937 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@@H]2CCOC[C@@H]2OCC)n[n-]1 ZINC001632567076 1282186677 /nfs/dbraw/zinc/18/66/77/1282186677.db2.gz BAAINOMCSLIBQX-SRVKXCTJSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@@H]2CCOC[C@@H]2OCC)[n-]1 ZINC001632567076 1282186684 /nfs/dbraw/zinc/18/66/84/1282186684.db2.gz BAAINOMCSLIBQX-SRVKXCTJSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@@H]2CCOC[C@@H]2OCC)n1 ZINC001632567076 1282186690 /nfs/dbraw/zinc/18/66/90/1282186690.db2.gz BAAINOMCSLIBQX-SRVKXCTJSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n[n-]1 ZINC001632562989 1282187131 /nfs/dbraw/zinc/18/71/31/1282187131.db2.gz SBQLVOBJSPGJIQ-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)[n-]1 ZINC001632562989 1282187137 /nfs/dbraw/zinc/18/71/37/1282187137.db2.gz SBQLVOBJSPGJIQ-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC001632562989 1282187142 /nfs/dbraw/zinc/18/71/42/1282187142.db2.gz SBQLVOBJSPGJIQ-QMMMGPOBSA-N -1 1 359.342 0.803 10 0 FCAEMM COc1ccc(OC)c(NC(=O)C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC001632651587 1282195464 /nfs/dbraw/zinc/19/54/64/1282195464.db2.gz SCXQRKCLGJNIBJ-UHFFFAOYSA-N -1 1 360.374 0.562 10 0 FCAEMM O=C(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc(Br)s1 ZINC001585183719 1282209463 /nfs/dbraw/zinc/20/94/63/1282209463.db2.gz UUPMRUWYPPIAMI-LURJTMIESA-N -1 1 372.204 0.807 10 0 FCAEMM COCCOc1cc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)ccn1 ZINC001585196538 1282212601 /nfs/dbraw/zinc/21/26/01/1282212601.db2.gz GPGNXJNQLIXKFF-NSHDSACASA-N -1 1 352.420 0.844 10 0 FCAEMM CC(C)N1C(=S)N=NC1CCNC(=O)CNC(=O)c1ncccc1[O-] ZINC001633595655 1282257221 /nfs/dbraw/zinc/25/72/21/1282257221.db2.gz GJWKWOVXRHLLMC-UHFFFAOYSA-N -1 1 364.431 0.337 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001633670159 1282265239 /nfs/dbraw/zinc/26/52/39/1282265239.db2.gz PLQNFDFWYDGEFU-PWSUYJOCSA-N -1 1 354.432 0.507 10 0 FCAEMM O=C(c1ccc([O-])cn1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001586736857 1282310395 /nfs/dbraw/zinc/31/03/95/1282310395.db2.gz RCQFXHKZPVKWJV-UHFFFAOYSA-N -1 1 370.413 0.376 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC001634847843 1282359266 /nfs/dbraw/zinc/35/92/66/1282359266.db2.gz GLLKUZODPZXUJH-SNVBAGLBSA-N -1 1 352.416 0.289 10 0 FCAEMM CCC[C@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001587598056 1282367271 /nfs/dbraw/zinc/36/72/71/1282367271.db2.gz PGQMPMWPIATUBO-APPZFPTMSA-N -1 1 369.476 0.822 10 0 FCAEMM COc1ccc(CN2CC[C@@H](NC(=O)c3cnncc3[O-])C2=O)c(OC)c1 ZINC001634975803 1282369112 /nfs/dbraw/zinc/36/91/12/1282369112.db2.gz LTVXBQHIHJRWJW-CQSZACIVSA-N -1 1 372.381 0.730 10 0 FCAEMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001634984557 1282370152 /nfs/dbraw/zinc/37/01/52/1282370152.db2.gz HHOLISACPXWLNL-NWDGAFQWSA-N -1 1 350.375 0.692 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC3(CO2)CCOCC3)co1 ZINC001635877451 1282439360 /nfs/dbraw/zinc/43/93/60/1282439360.db2.gz BUYPZBYOHYYLJN-GFCCVEGCSA-N -1 1 358.416 0.503 10 0 FCAEMM COc1cc2c(c(OC)c1OC)CCN(C(=O)CCc1nn[n-]n1)CC2 ZINC001635874632 1282440088 /nfs/dbraw/zinc/44/00/88/1282440088.db2.gz UUJXAQXQXGXIFA-UHFFFAOYSA-N -1 1 361.402 0.786 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1Cc2cccnc2N2CCC[C@H]2C1 ZINC001636088279 1282459127 /nfs/dbraw/zinc/45/91/27/1282459127.db2.gz HNPAPWGOOIETAN-AWEZNQCLSA-N -1 1 367.409 0.923 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc2c([nH]c1=O)CCCC2=O ZINC001636322645 1282486974 /nfs/dbraw/zinc/48/69/74/1282486974.db2.gz VHTLSIYVFSWEOT-UHFFFAOYSA-N -1 1 370.365 0.805 10 0 FCAEMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001636457539 1282505148 /nfs/dbraw/zinc/50/51/48/1282505148.db2.gz CSXIPABLUIZYMZ-OAHLLOKOSA-N -1 1 354.411 0.011 10 0 FCAEMM COCCO[C@]12CCC[C@@]1(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCO2 ZINC001637047518 1282554467 /nfs/dbraw/zinc/55/44/67/1282554467.db2.gz ADIOTJBHBAXLOB-HZPDHXFCSA-N -1 1 369.374 0.329 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])CCOC ZINC001718823360 1287584491 /nfs/dbraw/zinc/58/44/91/1287584491.db2.gz HQWZBHGKJBYKMO-CJNGLKHVSA-N -1 1 365.430 0.807 10 0 FCAEMM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001637890281 1282632358 /nfs/dbraw/zinc/63/23/58/1282632358.db2.gz IPIFXDZXTFUIOU-UHFFFAOYSA-N -1 1 372.447 0.220 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NN2CC(=O)[N-]C2=O)C1 ZINC001638138006 1282663898 /nfs/dbraw/zinc/66/38/98/1282663898.db2.gz WSFJTCQUTIRBIG-NSHDSACASA-N -1 1 366.418 0.997 10 0 FCAEMM CCOC(=O)Cc1cccc(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC001640507548 1282869408 /nfs/dbraw/zinc/86/94/08/1282869408.db2.gz NXPGHKNBUKDMBW-UHFFFAOYSA-N -1 1 359.382 0.695 10 0 FCAEMM COC(=O)[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H]1C(=O)OC ZINC001640537364 1282872902 /nfs/dbraw/zinc/87/29/02/1282872902.db2.gz IWPAFGVJVMTPBU-STQMWFEESA-N -1 1 358.350 0.975 10 0 FCAEMM Cn1[n-]c(CN2C(=O)c3cccc(Br)c3S2(=O)=O)nc1=O ZINC001641468412 1282954211 /nfs/dbraw/zinc/95/42/11/1282954211.db2.gz XUIWOXUFVPUARG-UHFFFAOYSA-N -1 1 373.188 0.216 10 0 FCAEMM CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001682825714 1283784332 /nfs/dbraw/zinc/78/43/32/1283784332.db2.gz DXFIFEHVPBQFAQ-YNEHKIRRSA-N -1 1 362.430 0.526 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1ccnn1C ZINC001682905208 1283799418 /nfs/dbraw/zinc/79/94/18/1283799418.db2.gz KARPRCIPSBJIMO-TZMCWYRMSA-N -1 1 357.414 0.730 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001683595259 1284052622 /nfs/dbraw/zinc/05/26/22/1284052622.db2.gz WMBREGCULSQDPY-KBPBESRZSA-N -1 1 364.402 0.344 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001684342325 1284158011 /nfs/dbraw/zinc/15/80/11/1284158011.db2.gz MREZAPOMBVMYJG-LBPRGKRZSA-N -1 1 354.313 0.159 10 0 FCAEMM CC(C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702591855 1285748035 /nfs/dbraw/zinc/74/80/35/1285748035.db2.gz BEGFLRMKRAGSSL-KGLIPLIRSA-N -1 1 364.446 0.326 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC001593759258 1286214039 /nfs/dbraw/zinc/21/40/39/1286214039.db2.gz ZKVKOPYWAVEPIZ-UHFFFAOYSA-N -1 1 356.383 0.285 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NCC[C@@H]3CNC(=O)C3)c(=O)c2c(OC)c1 ZINC001595060808 1286239049 /nfs/dbraw/zinc/23/90/49/1286239049.db2.gz FEGZVVGOMGHJIR-JTQLQIEISA-N -1 1 359.382 0.801 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cnc4c(c3)NC(=O)CN4C)nc2n1 ZINC001595393054 1286246656 /nfs/dbraw/zinc/24/66/56/1286246656.db2.gz YGFDXNYVFSZNKP-UHFFFAOYSA-N -1 1 368.357 0.016 10 0 FCAEMM COC[C@H](NC(=O)c1cnc(Br)c(OC)c1)c1nn[n-]n1 ZINC001595888850 1286267284 /nfs/dbraw/zinc/26/72/84/1286267284.db2.gz HRYMBADYAYJUOA-ZETCQYMHSA-N -1 1 357.168 0.483 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1nn[n-]n1 ZINC001595889599 1286268684 /nfs/dbraw/zinc/26/86/84/1286268684.db2.gz SVVUVBAEFKXRBK-VXGBXAGGSA-N -1 1 363.399 0.725 10 0 FCAEMM COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCc1nn[n-]n1 ZINC001598009120 1286375590 /nfs/dbraw/zinc/37/55/90/1286375590.db2.gz PQDWGMKSZSPASW-UHFFFAOYSA-N -1 1 373.417 0.167 10 0 FCAEMM CC(C)C(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001719165122 1287818010 /nfs/dbraw/zinc/81/80/10/1287818010.db2.gz VJNRVXQWCSJFSQ-CHWSQXEVSA-N -1 1 362.430 0.478 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001721534768 1288347735 /nfs/dbraw/zinc/34/77/35/1288347735.db2.gz XAXAFIVDBFLYDI-GYOIFBIXSA-N -1 1 363.414 0.606 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1 ZINC001734819474 1288680543 /nfs/dbraw/zinc/68/05/43/1288680543.db2.gz NJMRZWASRZZYLQ-KBPBESRZSA-N -1 1 359.426 0.917 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001735403026 1288726289 /nfs/dbraw/zinc/72/62/89/1288726289.db2.gz CORSCXHEGYRSFI-XUJVJEKNSA-N -1 1 351.403 0.151 10 0 FCAEMM COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nn[n-]n2)cc1 ZINC001611390939 1289646161 /nfs/dbraw/zinc/64/61/61/1289646161.db2.gz XAIUOVOPXLXRHR-GFCCVEGCSA-N -1 1 362.415 0.681 10 0 FCAEMM COC(=O)c1c(NC(=O)CCc2ccc(OC)nc2)n[n-]c1OCCO ZINC001611491345 1289653935 /nfs/dbraw/zinc/65/39/35/1289653935.db2.gz PFWREJZIXLDIJT-UHFFFAOYSA-N -1 1 364.358 0.542 10 0 FCAEMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)CCc1ccc(OC)nc1 ZINC001611491345 1289653942 /nfs/dbraw/zinc/65/39/42/1289653942.db2.gz PFWREJZIXLDIJT-UHFFFAOYSA-N -1 1 364.358 0.542 10 0 FCAEMM Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)C)c1[O-] ZINC001738319294 1289660980 /nfs/dbraw/zinc/66/09/80/1289660980.db2.gz RDLQFBVTFHWCHC-UTUOFQBUSA-N -1 1 360.418 0.821 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001616254026 1289773067 /nfs/dbraw/zinc/77/30/67/1289773067.db2.gz GCWGETCXUHLHIO-CQSZACIVSA-N -1 1 373.413 0.941 10 0 FCAEMM COCCOCCc1nc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c[nH]1 ZINC001616946218 1289802887 /nfs/dbraw/zinc/80/28/87/1289802887.db2.gz OLQBQTBRXQUMSJ-NSHDSACASA-N -1 1 367.435 0.059 10 0 FCAEMM O=C(CN1C(=O)c2ccccc2C1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001616944273 1289803991 /nfs/dbraw/zinc/80/39/91/1289803991.db2.gz AWLXEKNPWYRWFH-NSHDSACASA-N -1 1 358.383 0.112 10 0 FCAEMM CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-] ZINC001739257219 1289829183 /nfs/dbraw/zinc/82/91/83/1289829183.db2.gz XJKRTAISCWSNID-YUSALJHKSA-N -1 1 360.418 0.917 10 0 FCAEMM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1 ZINC001617437700 1289841142 /nfs/dbraw/zinc/84/11/42/1289841142.db2.gz GYUBJNHNFWVGLP-GRYCIOLGSA-N -1 1 353.375 0.840 10 0 FCAEMM CN(C(=O)c1ccc2ncc(I)n2c1)c1nn[nH]n1 ZINC001617642889 1289851492 /nfs/dbraw/zinc/85/14/92/1289851492.db2.gz VZTCCPVPQJZLRD-UHFFFAOYSA-N -1 1 369.126 0.729 10 0 FCAEMM CN(C(=O)c1ccc2ncc(I)n2c1)c1nn[n-]n1 ZINC001617642889 1289851500 /nfs/dbraw/zinc/85/15/00/1289851500.db2.gz VZTCCPVPQJZLRD-UHFFFAOYSA-N -1 1 369.126 0.729 10 0 FCAEMM C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703685 1289860299 /nfs/dbraw/zinc/86/02/99/1289860299.db2.gz UNRQADYLKVONLP-AVGNSLFASA-N -1 1 374.449 0.678 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)n1 ZINC001618409404 1289905120 /nfs/dbraw/zinc/90/51/20/1289905120.db2.gz PMBTVFVTZUWKQX-KRWDZBQOSA-N -1 1 363.418 0.604 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001739506481 1290082774 /nfs/dbraw/zinc/08/27/74/1290082774.db2.gz ZDBBGFZQAJZPMT-GMTAPVOTSA-N -1 1 366.418 0.909 10 0 FCAEMM Cn1ccnc1N1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001623335028 1290212457 /nfs/dbraw/zinc/21/24/57/1290212457.db2.gz QXBOVAALIWRZAD-UHFFFAOYSA-N -1 1 358.402 0.036 10 0 FCAEMM CC[C@@H](O)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001624542975 1290278599 /nfs/dbraw/zinc/27/85/99/1290278599.db2.gz DFVFQDSNGUQMHC-BXUZGUMPSA-N -1 1 372.443 0.759 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624780900 1290296016 /nfs/dbraw/zinc/29/60/16/1290296016.db2.gz MZGWBMFDOCDESK-ZYHUDNBSSA-N -1 1 371.756 0.512 10 0 FCAEMM CCCCCCOCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739664989 1290333136 /nfs/dbraw/zinc/33/31/36/1290333136.db2.gz YOSNNNTWGWKLIE-HIFRSBDPSA-N -1 1 365.430 0.686 10 0 FCAEMM COc1c(F)cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(N)c1F ZINC001625610664 1290354860 /nfs/dbraw/zinc/35/48/60/1290354860.db2.gz AYRVFSSPKSQWGN-MRVPVSSYSA-N -1 1 356.358 0.999 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)c1 ZINC001625730245 1290362555 /nfs/dbraw/zinc/36/25/55/1290362555.db2.gz NRGNLJBSRRDBTN-BZHVJNSISA-N -1 1 372.399 0.205 10 0 FCAEMM C[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)N1CSCCSC1 ZINC001626047054 1290371417 /nfs/dbraw/zinc/37/14/17/1290371417.db2.gz XJUGVHDKIBYPAF-SNVBAGLBSA-N -1 1 358.493 0.095 10 0 FCAEMM C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046865 1290372508 /nfs/dbraw/zinc/37/25/08/1290372508.db2.gz QLSXNDPQSPZYDR-HWPZZCPQSA-N -1 1 351.407 0.378 10 0 FCAEMM CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001739853949 1290411665 /nfs/dbraw/zinc/41/16/65/1290411665.db2.gz QWTFLRYAGRSWNF-NWDGAFQWSA-N -1 1 360.418 0.623 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC001627067460 1290435702 /nfs/dbraw/zinc/43/57/02/1290435702.db2.gz SSJLRWWJDYAWAV-NWDGAFQWSA-N -1 1 352.395 0.029 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001627470079 1290464722 /nfs/dbraw/zinc/46/47/22/1290464722.db2.gz RNRSOGYJPBFASH-AWEZNQCLSA-N -1 1 373.456 0.242 10 0 FCAEMM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001627707803 1290479113 /nfs/dbraw/zinc/47/91/13/1290479113.db2.gz XNPHKTGEJHXIKV-LBPRGKRZSA-N -1 1 353.318 0.690 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1ccn(C)n1 ZINC001740173215 1290506471 /nfs/dbraw/zinc/50/64/71/1290506471.db2.gz CESRSEDPOQELQV-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cc(=O)[nH]c(=S)[nH]1 ZINC001628259236 1290521452 /nfs/dbraw/zinc/52/14/52/1290521452.db2.gz RSAMQOUDAUHRMX-UHFFFAOYSA-N -1 1 360.399 0.695 10 0 FCAEMM C/C=C(/C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001740375622 1290547379 /nfs/dbraw/zinc/54/73/79/1290547379.db2.gz ZLGDYOBXAYIRGW-MRUYKOJOSA-N -1 1 360.414 0.141 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC001628717799 1290551523 /nfs/dbraw/zinc/55/15/23/1290551523.db2.gz HJFIPTRBLPPIFZ-SSDOTTSWSA-N -1 1 368.440 0.918 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cn2nc(C)c3cccnc32)n[n-]1 ZINC001629030433 1290572059 /nfs/dbraw/zinc/57/20/59/1290572059.db2.gz YWZIBFRRNFJNLN-JTQLQIEISA-N -1 1 357.374 0.912 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cn2nc(C)c3cccnc32)[n-]1 ZINC001629030433 1290572065 /nfs/dbraw/zinc/57/20/65/1290572065.db2.gz YWZIBFRRNFJNLN-JTQLQIEISA-N -1 1 357.374 0.912 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cn2nc(C)c3cccnc32)n1 ZINC001629030433 1290572070 /nfs/dbraw/zinc/57/20/70/1290572070.db2.gz YWZIBFRRNFJNLN-JTQLQIEISA-N -1 1 357.374 0.912 10 0 FCAEMM C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1(N2CCOCC2)CCCC1 ZINC001629078869 1290575374 /nfs/dbraw/zinc/57/53/74/1290575374.db2.gz DAHGTVWHFGCXKD-CYBMUJFWSA-N -1 1 367.450 0.619 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC001629271863 1290588109 /nfs/dbraw/zinc/58/81/09/1290588109.db2.gz SRSPKBBHOOZKNX-UHFFFAOYSA-N -1 1 360.374 0.009 10 0 FCAEMM COCc1nc2n(n1)C[C@@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)CC2 ZINC001629939797 1290635429 /nfs/dbraw/zinc/63/54/29/1290635429.db2.gz ZKZPBIATXKJHPL-QMMMGPOBSA-N -1 1 350.404 0.262 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC001630763056 1290697752 /nfs/dbraw/zinc/69/77/52/1290697752.db2.gz JPGDHMNEMBYXMA-SECBINFHSA-N -1 1 355.416 0.962 10 0 FCAEMM CC(C)(C)OC(=O)CCN(C(=O)CCc1nn[n-]n1)C1CCOCC1 ZINC001631067252 1290711998 /nfs/dbraw/zinc/71/19/98/1290711998.db2.gz YNADWMDIXTUTBR-UHFFFAOYSA-N -1 1 353.423 0.872 10 0 FCAEMM O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001643129070 1290850957 /nfs/dbraw/zinc/85/09/57/1290850957.db2.gz LEJLQOMKTSPNMA-UHFFFAOYSA-N -1 1 369.385 0.271 10 0 FCAEMM O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643241765 1290865924 /nfs/dbraw/zinc/86/59/24/1290865924.db2.gz PRUZCHAOAMOANY-NSHDSACASA-N -1 1 354.366 0.997 10 0 FCAEMM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643387626 1290884166 /nfs/dbraw/zinc/88/41/66/1290884166.db2.gz SLAJQDHJRBIMDN-NEPJUHHUSA-N -1 1 368.438 0.834 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)o1 ZINC001644841317 1290987926 /nfs/dbraw/zinc/98/79/26/1290987926.db2.gz QCJAICDTLQFLKW-DCAQKATOSA-N -1 1 355.416 0.209 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001645091345 1291004097 /nfs/dbraw/zinc/00/40/97/1291004097.db2.gz JVHTYXFLYQEGTO-GOEBONIOSA-N -1 1 372.425 0.275 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN([S@@](C)(=N)=O)CC2)cc1 ZINC001648250121 1291114708 /nfs/dbraw/zinc/11/47/08/1291114708.db2.gz GSAMSSMWVOIBCE-XMMPIXPASA-N -1 1 354.432 0.161 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2[nH]c(CO)nc2c1 ZINC001650749320 1291177812 /nfs/dbraw/zinc/17/78/12/1291177812.db2.gz UOTNXMFWPWPQLM-UHFFFAOYSA-N -1 1 355.354 0.554 10 0 FCAEMM NC(=O)CSc1ccccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650748818 1291178134 /nfs/dbraw/zinc/17/81/34/1291178134.db2.gz NYBXRTZJHHHZJD-UHFFFAOYSA-N -1 1 374.422 0.762 10 0 FCAEMM CC(C)[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC001650857857 1291181057 /nfs/dbraw/zinc/18/10/57/1291181057.db2.gz KOAKGCJUINAXGE-RISCZKNCSA-N -1 1 368.397 0.836 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001651180702 1291202640 /nfs/dbraw/zinc/20/26/40/1291202640.db2.gz KKRCRBMVUOCFDN-UHFFFAOYSA-N -1 1 371.401 0.550 10 0 FCAEMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218740 1291207543 /nfs/dbraw/zinc/20/75/43/1291207543.db2.gz UMHGBBYVALLTOD-JTQLQIEISA-N -1 1 367.406 0.944 10 0 FCAEMM COC(=O)[C@@H](Cc1cncs1)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001651390390 1291220222 /nfs/dbraw/zinc/22/02/22/1291220222.db2.gz BMWAZWILFKISCT-MRVPVSSYSA-N -1 1 354.413 0.750 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)nn2C)o1 ZINC001651541286 1291227587 /nfs/dbraw/zinc/22/75/87/1291227587.db2.gz XDRSFNKTHZVHIX-UHFFFAOYSA-N -1 1 366.321 0.870 10 0 FCAEMM COC[C@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)c1nn[n-]n1 ZINC001651846437 1291243074 /nfs/dbraw/zinc/24/30/74/1291243074.db2.gz CMCOPERTJGDCEZ-QMMMGPOBSA-N -1 1 370.295 0.618 10 0 FCAEMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001667107760 1291928243 /nfs/dbraw/zinc/92/82/43/1291928243.db2.gz HDFWLOKJDBSHKZ-HZSPNIEDSA-N -1 1 361.450 0.668 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NCC1(CO)CCCCC1 ZINC001684758442 1292329272 /nfs/dbraw/zinc/32/92/72/1292329272.db2.gz YLVDTDCDYTVJTD-UHFFFAOYSA-N -1 1 350.419 0.997 10 0 FCAEMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CCCNC(=O)CC(N)=O ZINC001684795241 1292337745 /nfs/dbraw/zinc/33/77/45/1292337745.db2.gz BVSOBSLJTCECJB-CHWSQXEVSA-N -1 1 362.430 0.800 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001684869792 1292348194 /nfs/dbraw/zinc/34/81/94/1292348194.db2.gz SXQAPUUKPJLPPE-OLZOCXBDSA-N -1 1 361.402 0.208 10 0 FCAEMM CCCCC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001684874346 1292349432 /nfs/dbraw/zinc/34/94/32/1292349432.db2.gz NUIVDIVJJQFIOG-WCQYABFASA-N -1 1 360.418 0.717 10 0 FCAEMM CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001686210692 1292829163 /nfs/dbraw/zinc/82/91/63/1292829163.db2.gz QXEBXVFTANQAGU-MCIONIFRSA-N -1 1 362.430 0.365 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747617503 836253413 /nfs/dbraw/zinc/25/34/13/836253413.db2.gz OKALRBOFNUYQBX-UHFFFAOYSA-N -1 1 351.388 0.459 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC(C(N)=O)CC1 ZINC000749284616 836353127 /nfs/dbraw/zinc/35/31/27/836353127.db2.gz YDBGTVCBOWJATJ-QMMMGPOBSA-N -1 1 356.325 0.940 10 0 FCAEMM COC(=O)c1coc(C[N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)n1 ZINC001118246668 847344236 /nfs/dbraw/zinc/34/42/36/847344236.db2.gz SSIZTDJHIPTTMD-GFCCVEGCSA-N -1 1 362.404 0.322 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1ncnn1CCF ZINC001118569445 847482062 /nfs/dbraw/zinc/48/20/62/847482062.db2.gz WPAXMCHAONUDSC-WPRPVWTQSA-N -1 1 367.303 0.344 10 0 FCAEMM Cn1nnc(C[N-]S(=O)(=O)Cc2ccsc2Br)n1 ZINC001119608725 847908297 /nfs/dbraw/zinc/90/82/97/847908297.db2.gz FTVHTLBZCLZIDV-UHFFFAOYSA-N -1 1 352.239 0.654 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001119626698 847914139 /nfs/dbraw/zinc/91/41/39/847914139.db2.gz GYLQEUDESLHYNM-SECBINFHSA-N -1 1 356.308 0.944 10 0 FCAEMM O=C([O-])CN(C(=O)N[C@H]1CCCN2CCSC[C@@H]12)C1CCOCC1 ZINC001119715384 847950759 /nfs/dbraw/zinc/95/07/59/847950759.db2.gz UEUUARWUIGBWAK-KBPBESRZSA-N -1 1 357.476 0.841 10 0 FCAEMM CC[C@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)CCS1 ZINC001123122059 848570691 /nfs/dbraw/zinc/57/06/91/848570691.db2.gz GUMYWDFQXKHMIV-QWRGUYRKSA-N -1 1 350.452 0.827 10 0 FCAEMM CC[C@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)CCS1 ZINC001123122059 848570693 /nfs/dbraw/zinc/57/06/93/848570693.db2.gz GUMYWDFQXKHMIV-QWRGUYRKSA-N -1 1 350.452 0.827 10 0 FCAEMM CO[C@@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)C[C@@H]1OC ZINC001123689269 848623940 /nfs/dbraw/zinc/62/39/40/848623940.db2.gz DWPVPMLOUGVTEJ-AOOOYVTPSA-N -1 1 353.814 0.977 10 0 FCAEMM CCCCc1nnc([N-]C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)s1 ZINC001136358280 849218836 /nfs/dbraw/zinc/21/88/36/849218836.db2.gz LXVFFLKVCUPLNP-UHFFFAOYSA-N -1 1 370.460 0.964 10 0 FCAEMM CCOCCCNC(=O)C1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001136661246 849234335 /nfs/dbraw/zinc/23/43/35/849234335.db2.gz YFUCFLXAPMEQED-UHFFFAOYSA-N -1 1 352.439 0.304 10 0 FCAEMM Cn1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])[nH]c1=O ZINC001137782936 849283659 /nfs/dbraw/zinc/28/36/59/849283659.db2.gz ZDGTYANTPPWRHB-UHFFFAOYSA-N -1 1 352.372 0.524 10 0 FCAEMM Cc1cn(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)nc1C(F)(F)F ZINC001138991289 849324693 /nfs/dbraw/zinc/32/46/93/849324693.db2.gz LMYXZUUUKJBBFU-UHFFFAOYSA-N -1 1 359.312 0.234 10 0 FCAEMM O=C(NCCS(=O)(=O)C1CCOCC1)c1ccc2n[n-]c(=S)n2c1 ZINC001141127150 849382857 /nfs/dbraw/zinc/38/28/57/849382857.db2.gz IJDQHZCLLVWWAX-UHFFFAOYSA-N -1 1 370.456 0.342 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC001143606829 849496339 /nfs/dbraw/zinc/49/63/39/849496339.db2.gz GBIZNSHVNNKZCB-LLVKDONJSA-N -1 1 350.379 0.812 10 0 FCAEMM C[C@H](NC(=O)c1ncc(Br)cc1[O-])[C@@H]1CN(C)CCN1C ZINC001147353078 849579043 /nfs/dbraw/zinc/57/90/43/849579043.db2.gz UMPKPZBVTGPKPV-ONGXEEELSA-N -1 1 357.252 0.914 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(C)cc(C=O)c3[O-])C[C@H]21 ZINC001147720454 849589577 /nfs/dbraw/zinc/58/95/77/849589577.db2.gz LNLSCVBJQAKSFX-MJBXVCDLSA-N -1 1 353.396 0.397 10 0 FCAEMM CCn1cc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c(=O)[nH]c1=O ZINC001175580264 850768618 /nfs/dbraw/zinc/76/86/18/850768618.db2.gz XISDJUSVAWLHPV-UHFFFAOYSA-N -1 1 351.388 0.425 10 0 FCAEMM COCCN1C[C@@H](C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)CC1=O ZINC001178681563 850916649 /nfs/dbraw/zinc/91/66/49/850916649.db2.gz BBIAWTCFORWDAW-JTQLQIEISA-N -1 1 352.391 0.037 10 0 FCAEMM CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001180060183 851010944 /nfs/dbraw/zinc/01/09/44/851010944.db2.gz USWQEJUATHXLPR-UWVGGRQHSA-N -1 1 358.420 0.182 10 0 FCAEMM CSC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001279181413 862712036 /nfs/dbraw/zinc/71/20/36/862712036.db2.gz TWBNVGXQXBGDBW-LPEHRKFASA-N -1 1 352.420 0.069 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001254943638 857992813 /nfs/dbraw/zinc/99/28/13/857992813.db2.gz KSIKPINYHIOMTD-NSHDSACASA-N -1 1 362.835 0.737 10 0 FCAEMM CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001261216428 858498566 /nfs/dbraw/zinc/49/85/66/858498566.db2.gz WNLFRZZHXHULRX-UHFFFAOYSA-N -1 1 361.383 0.772 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001261526337 858579674 /nfs/dbraw/zinc/57/96/74/858579674.db2.gz GJUAMSIRPXPHES-IZEVZFMRSA-N -1 1 358.423 0.827 10 0 FCAEMM COC(=O)[C@@]1(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)CCOC1 ZINC001261828429 858679442 /nfs/dbraw/zinc/67/94/42/858679442.db2.gz KCBSQIGMDNVTPA-QGZVFWFLSA-N -1 1 352.362 0.621 10 0 FCAEMM COC[C@]1(C(=O)[O-])CCN(CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC001261893990 858702668 /nfs/dbraw/zinc/70/26/68/858702668.db2.gz IFCHFRLBMKMWDW-INIZCTEOSA-N -1 1 357.428 0.892 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C[C@@H]3CCC4(CCOCC4)O3)CC2)CCOC1 ZINC001262157000 858801428 /nfs/dbraw/zinc/80/14/28/858801428.db2.gz MTKRMZJMJZBZPG-YJBOKZPZSA-N -1 1 354.447 0.576 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)CCCOC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264622698 859403211 /nfs/dbraw/zinc/40/32/11/859403211.db2.gz WBAGCDXWZGCONR-HZSPNIEDSA-N -1 1 353.467 0.640 10 0 FCAEMM CCOCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001281752727 863707983 /nfs/dbraw/zinc/70/79/83/863707983.db2.gz JFKQEMRMXUYJRL-CHWSQXEVSA-N -1 1 351.403 0.417 10 0 FCAEMM CC(C)S(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001281753267 863708488 /nfs/dbraw/zinc/70/84/88/863708488.db2.gz SBDZCFOGYCSBTF-VXGBXAGGSA-N -1 1 369.443 0.187 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@H](C)C(F)(F)F ZINC001281849469 863821336 /nfs/dbraw/zinc/82/13/36/863821336.db2.gz PCWGWUJSTBYVOU-IQJOONFLSA-N -1 1 361.320 0.941 10 0 FCAEMM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCOC2)C1)c1ncccc1[O-] ZINC001282148051 864084608 /nfs/dbraw/zinc/08/46/08/864084608.db2.gz CKAMRHWIAGDVDY-XWCIJXRUSA-N -1 1 351.378 0.931 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001289379023 865040011 /nfs/dbraw/zinc/04/00/11/865040011.db2.gz QEFFAPSLKDHVPR-TXEJJXNPSA-N -1 1 364.427 0.097 10 0 FCAEMM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC)C(C)C ZINC001289538622 865126097 /nfs/dbraw/zinc/12/60/97/865126097.db2.gz MBINKJIUZISOQC-UXIGCNINSA-N -1 1 351.403 0.414 10 0 FCAEMM COCCOCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001290657767 865480411 /nfs/dbraw/zinc/48/04/11/865480411.db2.gz PFHCBGDTNVIJEN-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CN(C(=O)CCc1nn[n-]n1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001295738900 865918786 /nfs/dbraw/zinc/91/87/86/865918786.db2.gz JAAWQYQBGANSLU-GFCCVEGCSA-N -1 1 367.207 0.580 10 0 FCAEMM O=C(NCCO)c1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC001295880202 865927467 /nfs/dbraw/zinc/92/74/67/865927467.db2.gz SSEWQJORAZKYME-UHFFFAOYSA-N -1 1 357.395 0.992 10 0 FCAEMM O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001296689085 865984696 /nfs/dbraw/zinc/98/46/96/865984696.db2.gz ZQKVTSORWGELEH-PRJMDXOYSA-N -1 1 364.353 0.273 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCCS2)o1 ZINC001301677087 866281389 /nfs/dbraw/zinc/28/13/89/866281389.db2.gz VCIPSUXHAOIZNU-VIFPVBQESA-N -1 1 361.445 0.059 10 0 FCAEMM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N[C@H](CO)Cc1cnc[nH]1 ZINC001302759447 866352683 /nfs/dbraw/zinc/35/26/83/866352683.db2.gz SWARYYDDPNQGOP-NSHDSACASA-N -1 1 359.411 0.128 10 0 FCAEMM COC[C@@H](CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C(C)C ZINC001351011364 866756109 /nfs/dbraw/zinc/75/61/09/866756109.db2.gz ZFYJPMDIJZMUAD-OAHLLOKOSA-N -1 1 358.483 0.249 10 0 FCAEMM COC[C@H](CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C(C)C ZINC001351011362 866756732 /nfs/dbraw/zinc/75/67/32/866756732.db2.gz ZFYJPMDIJZMUAD-HNNXBMFYSA-N -1 1 358.483 0.249 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](CC(C)C)OC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001316737447 867432860 /nfs/dbraw/zinc/43/28/60/867432860.db2.gz MLBVACFTLSAFQC-BFHYXJOUSA-N -1 1 353.467 0.639 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)co1 ZINC001319479434 867929923 /nfs/dbraw/zinc/92/99/23/867929923.db2.gz JRRNEWQEMYUKHM-UHFFFAOYSA-N -1 1 369.443 0.662 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOC1 ZINC001319780114 867999094 /nfs/dbraw/zinc/99/90/94/867999094.db2.gz YEJXZYDDVMPHKV-NSHDSACASA-N -1 1 355.199 0.999 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001320931976 868323005 /nfs/dbraw/zinc/32/30/05/868323005.db2.gz BUIUFMSYIMBUQM-RKDXNWHRSA-N -1 1 370.431 0.399 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(N3CCOC3=O)c2)n1 ZINC001322290165 868782867 /nfs/dbraw/zinc/78/28/67/868782867.db2.gz AIIMOAPXBSDYFO-UHFFFAOYSA-N -1 1 351.344 0.417 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(N3CCOC3=O)c2)[n-]1 ZINC001322290165 868782874 /nfs/dbraw/zinc/78/28/74/868782874.db2.gz AIIMOAPXBSDYFO-UHFFFAOYSA-N -1 1 351.344 0.417 10 0 FCAEMM O=C(CC(F)(F)C(F)F)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001343313806 870354706 /nfs/dbraw/zinc/35/47/06/870354706.db2.gz FSWVCSBXYRZBQR-APPZFPTMSA-N -1 1 365.283 0.379 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001327406861 870847000 /nfs/dbraw/zinc/84/70/00/870847000.db2.gz YCJBWWCGUYKPJZ-OIBJUYFYSA-N -1 1 355.199 0.997 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)C[C@@H](C)S1 ZINC001344455224 870891512 /nfs/dbraw/zinc/89/15/12/870891512.db2.gz OLTYXFMHTUJSDE-MXWKQRLJSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)C[C@@H](C)S1 ZINC001344455224 870891517 /nfs/dbraw/zinc/89/15/17/870891517.db2.gz OLTYXFMHTUJSDE-MXWKQRLJSA-N -1 1 350.452 0.825 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccncc2)c1C)OC ZINC001327955447 871155751 /nfs/dbraw/zinc/15/57/51/871155751.db2.gz AFYOZGBXPJCKLO-ZDUSSCGKSA-N -1 1 368.415 0.297 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001346308562 871765443 /nfs/dbraw/zinc/76/54/43/871765443.db2.gz YSAHCZYWZFDTML-OLXKUKDPSA-N -1 1 358.423 0.415 10 0 FCAEMM O=C([O-])C1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CC2(CCC2)C1 ZINC001346369886 871800520 /nfs/dbraw/zinc/80/05/20/871800520.db2.gz CXDCXKILYDTEFO-SUMWQHHRSA-N -1 1 352.431 0.363 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@]23CCOC3)C1 ZINC001329496792 872070258 /nfs/dbraw/zinc/07/02/58/872070258.db2.gz FRRCVJQCSDQCKQ-ZIAGYGMSSA-N -1 1 363.336 0.047 10 0 FCAEMM CN(C)C(=O)Cn1cnc([N-]C(=O)c2ncsc2Br)n1 ZINC001329499196 872071518 /nfs/dbraw/zinc/07/15/18/872071518.db2.gz IAIYRYRTBMRKOK-UHFFFAOYSA-N -1 1 359.209 0.838 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)c1cnn(-c2ccncc2)c1C ZINC001330513297 872678791 /nfs/dbraw/zinc/67/87/91/872678791.db2.gz IECYUXSMCOLTEI-UHFFFAOYSA-N -1 1 368.415 0.297 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001332005373 873332071 /nfs/dbraw/zinc/33/20/71/873332071.db2.gz AKUXQWBHAJRGDR-RBZYPMLTSA-N -1 1 363.336 0.046 10 0 FCAEMM COC[C@]1(C(=O)[O-])CCCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC001332150837 873393570 /nfs/dbraw/zinc/39/35/70/873393570.db2.gz TXTWQQKPAUBUOR-JMLCCBQJSA-N -1 1 354.447 0.970 10 0 FCAEMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2nnc3ccc(Cl)cn32)C1 ZINC001332669968 873609506 /nfs/dbraw/zinc/60/95/06/873609506.db2.gz CHMNKJUTJHSLKF-JTQLQIEISA-N -1 1 351.794 0.796 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1 ZINC000293610209 214188053 /nfs/dbraw/zinc/18/80/53/214188053.db2.gz VNERXPWFHUWSHH-SNVBAGLBSA-N -1 1 357.310 0.049 10 0 FCAEMM O=C(CN1CCC[C@@H](c2n[n-]c(=O)o2)C1)NCCN1CCc2ccccc21 ZINC000295143767 214279035 /nfs/dbraw/zinc/27/90/35/214279035.db2.gz FCEHYCXFNMCBLB-OAHLLOKOSA-N -1 1 371.441 0.721 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)co1 ZINC000283727646 213000492 /nfs/dbraw/zinc/00/04/92/213000492.db2.gz VWKGVDMSLXIOOZ-SMDDNHRTSA-N -1 1 372.443 0.485 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)co1 ZINC000366833016 216039535 /nfs/dbraw/zinc/03/95/35/216039535.db2.gz TXCNRCXYYPSGAJ-JTQLQIEISA-N -1 1 367.431 0.997 10 0 FCAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)N1C(=O)c2ccccc2C1=O ZINC000413467539 237340175 /nfs/dbraw/zinc/34/01/75/237340175.db2.gz CSYQJQFBOGRZGK-SNVBAGLBSA-N -1 1 354.370 0.770 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CCNC(=O)CC1 ZINC000223885319 209339763 /nfs/dbraw/zinc/33/97/63/209339763.db2.gz DUEMLEJYNGZVJN-UHFFFAOYSA-N -1 1 360.151 0.959 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)co1 ZINC000277809073 212399432 /nfs/dbraw/zinc/39/94/32/212399432.db2.gz GXMJYLAWEDLTOE-GZMMTYOYSA-N -1 1 370.349 0.963 10 0 FCAEMM COC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000277370235 212353884 /nfs/dbraw/zinc/35/38/84/212353884.db2.gz ZGGPGZHYXFSXCQ-UHFFFAOYSA-N -1 1 371.415 0.646 10 0 FCAEMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000276146270 212172847 /nfs/dbraw/zinc/17/28/47/212172847.db2.gz CFZYRRUYUHZOLD-WCBMZHEXSA-N -1 1 357.457 0.844 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N2CCOC(C)(C)C2)C1 ZINC000931568112 674120239 /nfs/dbraw/zinc/12/02/39/674120239.db2.gz QWHVHNYNEOPSOZ-AWEZNQCLSA-N -1 1 351.369 0.767 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1(N2CCOCC2)CCC1 ZINC000374704006 217158131 /nfs/dbraw/zinc/15/81/31/217158131.db2.gz WWGRRTOIWXTDJK-UHFFFAOYSA-N -1 1 359.430 0.923 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(=O)[O-] ZINC000424461823 247226149 /nfs/dbraw/zinc/22/61/49/247226149.db2.gz DGECZYMBGNXZGY-HUUCEWRRSA-N -1 1 371.478 0.323 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)o1 ZINC000408204292 217750544 /nfs/dbraw/zinc/75/05/44/217750544.db2.gz ULSQXHYPSKUKHV-GFCCVEGCSA-N -1 1 371.459 0.513 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)NC)c2ccccc2)co1 ZINC000435943854 248026340 /nfs/dbraw/zinc/02/63/40/248026340.db2.gz DXWQDZHNJVLDDQ-CYBMUJFWSA-N -1 1 365.411 0.795 10 0 FCAEMM C[C@H]1CCN(c2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccn2)C1 ZINC000438936156 248102473 /nfs/dbraw/zinc/10/24/73/248102473.db2.gz LOJASWQGCNYGJH-VIFPVBQESA-N -1 1 350.404 0.702 10 0 FCAEMM C[C@H]1CCN(c2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccn2)C1 ZINC000438936156 248102476 /nfs/dbraw/zinc/10/24/76/248102476.db2.gz LOJASWQGCNYGJH-VIFPVBQESA-N -1 1 350.404 0.702 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC(S(N)(=O)=O)CC3)cnc2n1 ZINC000443353837 248322516 /nfs/dbraw/zinc/32/25/16/248322516.db2.gz VAYPXBHQLDMXIP-UHFFFAOYSA-N -1 1 350.400 0.537 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(S(N)(=O)=O)CC1)c2=O ZINC000443353837 248322518 /nfs/dbraw/zinc/32/25/18/248322518.db2.gz VAYPXBHQLDMXIP-UHFFFAOYSA-N -1 1 350.400 0.537 10 0 FCAEMM CC(C)(C)c1nnc2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cn21 ZINC000470583441 250051729 /nfs/dbraw/zinc/05/17/29/250051729.db2.gz NZKLBSMLKXHFOL-UHFFFAOYSA-N -1 1 363.403 0.801 10 0 FCAEMM CC(C)(C)c1nnc2ccc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cn21 ZINC000470583441 250051731 /nfs/dbraw/zinc/05/17/31/250051731.db2.gz NZKLBSMLKXHFOL-UHFFFAOYSA-N -1 1 363.403 0.801 10 0 FCAEMM CN(CC(=O)NC1(c2nn[n-]n2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000470977647 250083693 /nfs/dbraw/zinc/08/36/93/250083693.db2.gz VMAIFLVUFNBCRI-UHFFFAOYSA-N -1 1 370.822 0.279 10 0 FCAEMM CC(C)C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000470975411 250083824 /nfs/dbraw/zinc/08/38/24/250083824.db2.gz MHSFNRYAGKIMDS-XQQFMLRXSA-N -1 1 372.429 0.671 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccccc2OC)co1 ZINC000270024304 211142155 /nfs/dbraw/zinc/14/21/55/211142155.db2.gz BCGCEDQIVRTZAA-GFCCVEGCSA-N -1 1 354.384 0.660 10 0 FCAEMM COCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472638298 250170173 /nfs/dbraw/zinc/17/01/73/250170173.db2.gz KVVPKNZQFCQWNT-CQSZACIVSA-N -1 1 361.416 0.874 10 0 FCAEMM COc1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000473488884 250232366 /nfs/dbraw/zinc/23/23/66/250232366.db2.gz LCTPUOGKQUZESL-UHFFFAOYSA-N -1 1 359.335 0.832 10 0 FCAEMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000473378101 250225254 /nfs/dbraw/zinc/22/52/54/250225254.db2.gz VKXRMCPWHQMFMR-VIFPVBQESA-N -1 1 353.379 0.554 10 0 FCAEMM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000410027118 533013293 /nfs/dbraw/zinc/01/32/93/533013293.db2.gz CCOSWXKJHGELKN-OLZOCXBDSA-N -1 1 372.425 0.926 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796709 208109960 /nfs/dbraw/zinc/10/99/60/208109960.db2.gz IIUFZOMZMIFDHK-CYBMUJFWSA-N -1 1 354.160 0.579 10 0 FCAEMM Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2(c3nn[n-]n3)CC2)no1 ZINC000477044786 484347266 /nfs/dbraw/zinc/34/72/66/484347266.db2.gz AABWLOOECHEGJD-QMMMGPOBSA-N -1 1 351.392 0.362 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000625622114 484539594 /nfs/dbraw/zinc/53/95/94/484539594.db2.gz ZQZMQDCBBCSCJQ-ZDUSSCGKSA-N -1 1 367.431 0.140 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN3CCOC[C@H]3C2)c(=O)[n-]1 ZINC000363869585 488894389 /nfs/dbraw/zinc/89/43/89/488894389.db2.gz RKQJGJDAZJGBDP-GFCCVEGCSA-N -1 1 352.460 0.688 10 0 FCAEMM Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(=O)n(C)c1=O ZINC000324936232 488907723 /nfs/dbraw/zinc/90/77/23/488907723.db2.gz OZRCRMSQKOKLPS-UHFFFAOYSA-N -1 1 373.774 0.236 10 0 FCAEMM O=C(CCN1C(=O)COc2cc(Br)ccc21)Nc1nnn[n-]1 ZINC000364106520 488923838 /nfs/dbraw/zinc/92/38/38/488923838.db2.gz YGDQMEHANKXLAF-UHFFFAOYSA-N -1 1 367.163 0.716 10 0 FCAEMM O=C(CCN1C(=O)COc2cc(Br)ccc21)Nc1nn[n-]n1 ZINC000364106520 488923841 /nfs/dbraw/zinc/92/38/41/488923841.db2.gz YGDQMEHANKXLAF-UHFFFAOYSA-N -1 1 367.163 0.716 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000028981141 487715564 /nfs/dbraw/zinc/71/55/64/487715564.db2.gz LNBQFSIZBZQKQG-UHFFFAOYSA-N -1 1 354.248 0.465 10 0 FCAEMM CCOC(=O)[C@@H](CC(C)C)NC(=O)CCCCc1c([O-])nc(N)[nH]c1=O ZINC000048545024 488072265 /nfs/dbraw/zinc/07/22/65/488072265.db2.gz XLLDRGNQBJZMQW-GFCCVEGCSA-N -1 1 368.434 0.865 10 0 FCAEMM CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000104876352 488506578 /nfs/dbraw/zinc/50/65/78/488506578.db2.gz LITKUYIWSIYWLW-CYBMUJFWSA-N -1 1 359.430 0.699 10 0 FCAEMM CN(C)Cc1cc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)ccc1F ZINC000115418000 488544247 /nfs/dbraw/zinc/54/42/47/488544247.db2.gz VDPWTZPOCLTUFI-UHFFFAOYSA-N -1 1 371.372 0.742 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127305517 488615854 /nfs/dbraw/zinc/61/58/54/488615854.db2.gz GWMZGCWQGNCERK-HNNXBMFYSA-N -1 1 373.457 0.964 10 0 FCAEMM C[C@@H](CO[N-]C(=O)c1cccn2c(=O)[nH]nc12)NC(=O)OC(C)(C)C ZINC000273422405 488649900 /nfs/dbraw/zinc/64/99/00/488649900.db2.gz DPMRAUABRDNZEL-VIFPVBQESA-N -1 1 351.363 0.597 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000264484010 488678518 /nfs/dbraw/zinc/67/85/18/488678518.db2.gz MKLUPQFSWWYNHQ-UHFFFAOYSA-N -1 1 364.445 0.678 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000274962414 488748680 /nfs/dbraw/zinc/74/86/80/488748680.db2.gz VBSXJFVKPNMPBR-SECBINFHSA-N -1 1 364.305 0.798 10 0 FCAEMM COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274986352 488751078 /nfs/dbraw/zinc/75/10/78/488751078.db2.gz YLGPBHCVPNEGKV-GFCCVEGCSA-N -1 1 367.383 0.479 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155546267 488756553 /nfs/dbraw/zinc/75/65/53/488756553.db2.gz ZLTDBMLTZDPHBU-TZMCWYRMSA-N -1 1 357.418 0.755 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)co1 ZINC000156277040 488763689 /nfs/dbraw/zinc/76/36/89/488763689.db2.gz QXDCGJKQPWXFNY-LLVKDONJSA-N -1 1 367.431 0.647 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)[O-])cc1 ZINC000170307867 488813415 /nfs/dbraw/zinc/81/34/15/488813415.db2.gz YTOXKMQIXWAOKE-CQSZACIVSA-N -1 1 364.383 0.568 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)o1 ZINC000174003291 488846960 /nfs/dbraw/zinc/84/69/60/488846960.db2.gz GMEWPOUKFHBFDR-VIFPVBQESA-N -1 1 354.432 0.899 10 0 FCAEMM COc1cc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc(OC)c1 ZINC000288567994 488992791 /nfs/dbraw/zinc/99/27/91/488992791.db2.gz AMUBHSQZNYFZAT-LLVKDONJSA-N -1 1 361.402 0.933 10 0 FCAEMM COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288576615 488993740 /nfs/dbraw/zinc/99/37/40/488993740.db2.gz BCJSHXNGELJMJL-LBPRGKRZSA-N -1 1 373.413 0.727 10 0 FCAEMM COC(=O)c1cccc([C@H](C(=O)OC)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000288797638 489016684 /nfs/dbraw/zinc/01/66/84/489016684.db2.gz CSRFLCLBHVJAFW-CQSZACIVSA-N -1 1 374.397 0.978 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](c3nc(=O)[n-][nH]3)C1)C2=O ZINC000289571850 489078311 /nfs/dbraw/zinc/07/83/11/489078311.db2.gz HYBAUAWYJPHYAH-NSHDSACASA-N -1 1 369.381 0.409 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000290028698 489109222 /nfs/dbraw/zinc/10/92/22/489109222.db2.gz YUAYJOYGISMOPQ-UHFFFAOYSA-N -1 1 371.394 0.414 10 0 FCAEMM CCN1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000331116942 489175155 /nfs/dbraw/zinc/17/51/55/489175155.db2.gz VULPUAVWSDLWJI-UHFFFAOYSA-N -1 1 365.408 0.008 10 0 FCAEMM Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282927353 489199622 /nfs/dbraw/zinc/19/96/22/489199622.db2.gz OLODLCGELLQRKF-CYBMUJFWSA-N -1 1 357.414 0.851 10 0 FCAEMM O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282944276 489201127 /nfs/dbraw/zinc/20/11/27/489201127.db2.gz PVUYGUKEAKQOEG-GFCCVEGCSA-N -1 1 356.386 0.647 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282973901 489203142 /nfs/dbraw/zinc/20/31/42/489203142.db2.gz BAZYGEZHHURITA-SMDDNHRTSA-N -1 1 373.427 0.912 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)c1C ZINC000349460243 489290624 /nfs/dbraw/zinc/29/06/24/489290624.db2.gz GONGXYCXZPKRMB-UHFFFAOYSA-N -1 1 352.438 0.125 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCC12CCCC2)[N-]CC(F)F ZINC000349496252 489299959 /nfs/dbraw/zinc/29/99/59/489299959.db2.gz GQYOMZRAYDQNQW-UHFFFAOYSA-N -1 1 360.448 0.909 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(-c2ncc[nH]2)no1 ZINC000349767716 489331250 /nfs/dbraw/zinc/33/12/50/489331250.db2.gz YNSBXMIVWOPWBZ-UHFFFAOYSA-N -1 1 357.374 0.886 10 0 FCAEMM COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1C ZINC000298572813 489338998 /nfs/dbraw/zinc/33/89/98/489338998.db2.gz QMKBZSXZCHPMDO-LLVKDONJSA-N -1 1 361.402 0.892 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000363110601 489425487 /nfs/dbraw/zinc/42/54/87/489425487.db2.gz CDSDZAIIIQDJSX-LBPRGKRZSA-N -1 1 372.399 0.124 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000570702093 491258862 /nfs/dbraw/zinc/25/88/62/491258862.db2.gz ZRXUWRNADXXAHW-YUMQZZPRSA-N -1 1 354.354 0.761 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)no1 ZINC000371746114 489505094 /nfs/dbraw/zinc/50/50/94/489505094.db2.gz HAVKXDMDVIYOFU-CQSZACIVSA-N -1 1 350.400 0.993 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)o1 ZINC000451664491 489515313 /nfs/dbraw/zinc/51/53/13/489515313.db2.gz BVTACPGTVMZFGQ-LBPRGKRZSA-N -1 1 360.432 0.581 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000372158793 489553597 /nfs/dbraw/zinc/55/35/97/489553597.db2.gz WEELOPJFRRZBEG-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000372158793 489553599 /nfs/dbraw/zinc/55/35/99/489553599.db2.gz WEELOPJFRRZBEG-JTQLQIEISA-N -1 1 350.400 0.408 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c([O-])c1 ZINC000427243365 489599180 /nfs/dbraw/zinc/59/91/80/489599180.db2.gz OYUCCUMHIGBQHM-UHFFFAOYSA-N -1 1 371.459 0.608 10 0 FCAEMM CCOC[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000427476806 489609980 /nfs/dbraw/zinc/60/99/80/489609980.db2.gz RUCORPCRMXNEQY-JTQLQIEISA-N -1 1 373.431 0.546 10 0 FCAEMM C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000457121582 489636643 /nfs/dbraw/zinc/63/66/43/489636643.db2.gz LQLRZWHRSWFTNE-GFCCVEGCSA-N -1 1 373.475 0.495 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1nn[n-]n1 ZINC000376496770 489744538 /nfs/dbraw/zinc/74/45/38/489744538.db2.gz ZHTDLALKULDTNF-ZYHUDNBSSA-N -1 1 352.464 0.853 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)CN(C)CCCC(=O)[O-])c1ccc(F)cc1 ZINC000430669691 489764040 /nfs/dbraw/zinc/76/40/40/489764040.db2.gz RUMYCUPUDMYJQE-LBPRGKRZSA-N -1 1 353.394 0.916 10 0 FCAEMM COC(=O)C[C@@H](C)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000475021520 489802561 /nfs/dbraw/zinc/80/25/61/489802561.db2.gz DNJXYSULOXIQQM-GFCCVEGCSA-N -1 1 358.398 0.633 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCCO)cc1)C1CC1 ZINC000563958160 491279751 /nfs/dbraw/zinc/27/97/51/491279751.db2.gz NOAYZWLOBQAJJF-HNNXBMFYSA-N -1 1 356.444 0.966 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1ncc(Br)cn1 ZINC000431630855 489814204 /nfs/dbraw/zinc/81/42/04/489814204.db2.gz ADVSGDKLIPVRDJ-YFKPBYRVSA-N -1 1 362.209 1.157 10 0 FCAEMM COC[C@H]1CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432286735 489836260 /nfs/dbraw/zinc/83/62/60/489836260.db2.gz RPVWSAZLTFOSDC-SNVBAGLBSA-N -1 1 352.409 0.607 10 0 FCAEMM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000432350884 489838982 /nfs/dbraw/zinc/83/89/82/489838982.db2.gz GKKWLUVEGGWUIO-UHFFFAOYSA-N -1 1 353.404 0.873 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCOCC(F)(F)C(F)(F)F)n1 ZINC000493325369 489844495 /nfs/dbraw/zinc/84/44/95/489844495.db2.gz YDQIUFJUZSWTCI-UHFFFAOYSA-N -1 1 366.268 0.751 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCOCC(F)(F)C(F)(F)F)[n-]1 ZINC000493325369 489844499 /nfs/dbraw/zinc/84/44/99/489844499.db2.gz YDQIUFJUZSWTCI-UHFFFAOYSA-N -1 1 366.268 0.751 10 0 FCAEMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000476563489 489900764 /nfs/dbraw/zinc/90/07/64/489900764.db2.gz REPUUACLNFVHJF-VWYCJHECSA-N -1 1 357.432 0.550 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCC(=O)NC2(c3nn[n-]n3)CC2)cc1C ZINC000477021874 489931539 /nfs/dbraw/zinc/93/15/39/489931539.db2.gz TVBUVDVGNXXXET-UHFFFAOYSA-N -1 1 364.431 0.290 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000377825482 489963424 /nfs/dbraw/zinc/96/34/24/489963424.db2.gz CCUFZJYKPYLORE-ZJUUUORDSA-N -1 1 369.403 1.024 10 0 FCAEMM COC(=O)CC1(NC(=O)c2c([O-])cccc2F)CCS(=O)(=O)CC1 ZINC000436903047 490015430 /nfs/dbraw/zinc/01/54/30/490015430.db2.gz LUMRPIPROKGUSB-UHFFFAOYSA-N -1 1 359.375 0.772 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1[N-]S(C)(=O)=O ZINC000571244031 491295287 /nfs/dbraw/zinc/29/52/87/491295287.db2.gz PSZPLVKYYUYQAQ-LLVKDONJSA-N -1 1 371.415 0.300 10 0 FCAEMM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000532932244 490143613 /nfs/dbraw/zinc/14/36/13/490143613.db2.gz LVGXSKQSINDKRL-UHFFFAOYSA-N -1 1 374.488 0.119 10 0 FCAEMM O=C(c1ccccn1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000520490105 490155511 /nfs/dbraw/zinc/15/55/11/490155511.db2.gz YOZHJTHYSBDELA-UHFFFAOYSA-N -1 1 363.377 0.916 10 0 FCAEMM Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H](c4nn[n-]n4)C3)cnc12 ZINC000533113560 490178669 /nfs/dbraw/zinc/17/86/69/490178669.db2.gz ASGJTZXRAFHSDE-LBPRGKRZSA-N -1 1 353.386 0.624 10 0 FCAEMM NS(=O)(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000497739532 490207794 /nfs/dbraw/zinc/20/77/94/490207794.db2.gz OOZAVXMZSSEOPG-UHFFFAOYSA-N -1 1 358.379 0.501 10 0 FCAEMM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408061651 490234907 /nfs/dbraw/zinc/23/49/07/490234907.db2.gz KXSVQCONBWUIOL-QWHCGFSZSA-N -1 1 358.485 0.995 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H]1O ZINC000408092931 490246470 /nfs/dbraw/zinc/24/64/70/490246470.db2.gz ZXDKAYZMTFJKEC-CABZTGNLSA-N -1 1 366.436 0.589 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)o1 ZINC000556406748 491314163 /nfs/dbraw/zinc/31/41/63/491314163.db2.gz CRTKPEHIYHLHCF-ZYHUDNBSSA-N -1 1 363.432 0.893 10 0 FCAEMM Cc1cc(NC(=O)CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)n(C)n1 ZINC000522059546 490334974 /nfs/dbraw/zinc/33/49/74/490334974.db2.gz OTLVRGWKTVXPOO-UHFFFAOYSA-N -1 1 360.399 0.926 10 0 FCAEMM Cc1cc(NC(=O)CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)n(C)n1 ZINC000522059546 490334979 /nfs/dbraw/zinc/33/49/79/490334979.db2.gz OTLVRGWKTVXPOO-UHFFFAOYSA-N -1 1 360.399 0.926 10 0 FCAEMM COc1ccc(OC)c(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000547888776 490378370 /nfs/dbraw/zinc/37/83/70/490378370.db2.gz LUWXUMJQOQSTHU-CYBMUJFWSA-N -1 1 372.443 0.921 10 0 FCAEMM COc1ccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)cc1[N-]S(C)(=O)=O ZINC000468399404 490398196 /nfs/dbraw/zinc/39/81/96/490398196.db2.gz KHQUDVGIAQYMJK-ZDUSSCGKSA-N -1 1 368.415 0.342 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548208991 490439810 /nfs/dbraw/zinc/43/98/10/490439810.db2.gz FOIBUVQVNQBIRM-YUMQZZPRSA-N -1 1 364.401 0.088 10 0 FCAEMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000548236207 490447326 /nfs/dbraw/zinc/44/73/26/490447326.db2.gz YPIHNXBQQLVCFS-UHFFFAOYSA-N -1 1 372.491 0.937 10 0 FCAEMM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000548275563 490455209 /nfs/dbraw/zinc/45/52/09/490455209.db2.gz ZRRQLQOEIGUQTP-NWDGAFQWSA-N -1 1 350.462 0.859 10 0 FCAEMM CN1CCc2ccc(S(=O)(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc21 ZINC000548535370 490499416 /nfs/dbraw/zinc/49/94/16/490499416.db2.gz TZUCORQVDFUQJB-ZDUSSCGKSA-N -1 1 350.400 0.376 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000485588306 490545894 /nfs/dbraw/zinc/54/58/94/490545894.db2.gz JNRGEAQSOQCCMC-ZJUUUORDSA-N -1 1 360.370 0.109 10 0 FCAEMM Cc1[nH]ncc1C1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000564978807 491342424 /nfs/dbraw/zinc/34/24/24/491342424.db2.gz ONYXHUWQROSJHO-NHYWBVRUSA-N -1 1 362.430 0.993 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512661892 490691694 /nfs/dbraw/zinc/69/16/94/490691694.db2.gz VDVZIKHIDMMVIM-UWVGGRQHSA-N -1 1 357.436 0.431 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512661892 490691696 /nfs/dbraw/zinc/69/16/96/490691696.db2.gz VDVZIKHIDMMVIM-UWVGGRQHSA-N -1 1 357.436 0.431 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000487332686 490705098 /nfs/dbraw/zinc/70/50/98/490705098.db2.gz DVPMUAWWHFMBLX-BDAKNGLRSA-N -1 1 364.370 0.699 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000487332687 490705309 /nfs/dbraw/zinc/70/53/09/490705309.db2.gz DVPMUAWWHFMBLX-DTWKUNHWSA-N -1 1 364.370 0.699 10 0 FCAEMM O=C(c1ccccc1)N1C[C@H](CN=c2ncnc3[nH][nH]cc2-3)N2CC[C@H]1C2 ZINC000538293139 490725087 /nfs/dbraw/zinc/72/50/87/490725087.db2.gz GONCOKFMEAEQKI-GJZGRUSLSA-N -1 1 363.425 0.737 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539327049 490777316 /nfs/dbraw/zinc/77/73/16/490777316.db2.gz RSZCCAIFFUYBEY-OLZOCXBDSA-N -1 1 370.479 0.500 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539327048 490777529 /nfs/dbraw/zinc/77/75/29/490777529.db2.gz RSZCCAIFFUYBEY-CHWSQXEVSA-N -1 1 370.479 0.500 10 0 FCAEMM CC1(C(N)=O)CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000515060882 490806494 /nfs/dbraw/zinc/80/64/94/490806494.db2.gz AOBHDCBQRWPWMF-UHFFFAOYSA-N -1 1 360.151 0.944 10 0 FCAEMM CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540051714 490806623 /nfs/dbraw/zinc/80/66/23/490806623.db2.gz UYPBZTXPNVFCMT-JTQLQIEISA-N -1 1 359.429 0.290 10 0 FCAEMM Cc1nc(SCC(=O)N(C)CC(=O)N2CCOCC2)[n-]c(=O)c1C ZINC000540716324 490834353 /nfs/dbraw/zinc/83/43/53/490834353.db2.gz JZRBFFLYIBDBRJ-UHFFFAOYSA-N -1 1 354.432 0.208 10 0 FCAEMM CCC(C)(C)OC1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000529809347 490877888 /nfs/dbraw/zinc/87/78/88/490877888.db2.gz IDDSJRAJEIAWTP-UHFFFAOYSA-N -1 1 373.431 0.073 10 0 FCAEMM O=C(COCCNC(=O)c1ccccc1)NC1(c2nn[n-]n2)CCCC1 ZINC000542364820 490894401 /nfs/dbraw/zinc/89/44/01/490894401.db2.gz AFSOEFRXWOSRCO-UHFFFAOYSA-N -1 1 358.402 0.532 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2cc(Cl)cc3c2OCC3)n1 ZINC000542688492 490904420 /nfs/dbraw/zinc/90/44/20/490904420.db2.gz KKAQXDFIELMBHY-UHFFFAOYSA-N -1 1 356.791 0.978 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2cc(Cl)cc3c2OCC3)[n-]1 ZINC000542688492 490904421 /nfs/dbraw/zinc/90/44/21/490904421.db2.gz KKAQXDFIELMBHY-UHFFFAOYSA-N -1 1 356.791 0.978 10 0 FCAEMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1 ZINC000518183450 490932287 /nfs/dbraw/zinc/93/22/87/490932287.db2.gz XOTJBFMNFALMRC-CQSZACIVSA-N -1 1 370.427 0.756 10 0 FCAEMM COc1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)cc1[N-]S(C)(=O)=O ZINC000565514937 491381311 /nfs/dbraw/zinc/38/13/11/491381311.db2.gz DOTKPJCENLNWAL-HNNXBMFYSA-N -1 1 355.416 0.922 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)n2)CC1 ZINC000567959450 491543322 /nfs/dbraw/zinc/54/33/22/491543322.db2.gz ASQMREMAVGYUQA-UHFFFAOYSA-N -1 1 371.445 0.677 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)n1 ZINC000561114767 491575110 /nfs/dbraw/zinc/57/51/10/491575110.db2.gz UFIRERVUOREOML-UHFFFAOYSA-N -1 1 353.307 1.003 10 0 FCAEMM COC(=O)[C@@H](CF)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000588781860 491749259 /nfs/dbraw/zinc/74/92/59/491749259.db2.gz IVQNXBMHGPFBOZ-MRVPVSSYSA-N -1 1 350.368 0.597 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000583233441 491840588 /nfs/dbraw/zinc/84/05/88/491840588.db2.gz ANVBXWRQOHJDMH-JTQLQIEISA-N -1 1 372.451 0.224 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000583233441 491840589 /nfs/dbraw/zinc/84/05/89/491840589.db2.gz ANVBXWRQOHJDMH-JTQLQIEISA-N -1 1 372.451 0.224 10 0 FCAEMM COC(=O)c1occc1C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000594860831 491867551 /nfs/dbraw/zinc/86/75/51/491867551.db2.gz SOFUQPZMCJUMDA-UHFFFAOYSA-N -1 1 359.385 0.960 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)oc1C ZINC000594863440 491867594 /nfs/dbraw/zinc/86/75/94/491867594.db2.gz DKAJXYGHTHELID-ZDUSSCGKSA-N -1 1 351.352 0.944 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]2CCC[C@H]21 ZINC000600546715 491868028 /nfs/dbraw/zinc/86/80/28/491868028.db2.gz KFNZHRUMNSUHJS-IVZWLZJFSA-N -1 1 351.359 0.700 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000601314609 491903514 /nfs/dbraw/zinc/90/35/14/491903514.db2.gz KZROJYSYFDENEW-LSDHHAIUSA-N -1 1 368.455 0.701 10 0 FCAEMM CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000601367907 491909026 /nfs/dbraw/zinc/90/90/26/491909026.db2.gz DUWGBTLQCCMWRB-KBPBESRZSA-N -1 1 364.508 0.993 10 0 FCAEMM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601419440 491916879 /nfs/dbraw/zinc/91/68/79/491916879.db2.gz JGEQFPUUCGFIMF-HNNXBMFYSA-N -1 1 356.444 0.902 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000595327367 491919844 /nfs/dbraw/zinc/91/98/44/491919844.db2.gz QTVYJCJXGVOXQJ-MNOVXSKESA-N -1 1 363.432 0.811 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612814331 491952258 /nfs/dbraw/zinc/95/22/58/491952258.db2.gz BERCWGDAGONYIF-MXWKQRLJSA-N -1 1 363.340 0.890 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000612814330 491952355 /nfs/dbraw/zinc/95/23/55/491952355.db2.gz BERCWGDAGONYIF-DCAQKATOSA-N -1 1 363.340 0.890 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cnnn2C)c1 ZINC000613208658 491972664 /nfs/dbraw/zinc/97/26/64/491972664.db2.gz WTXIHUAKXIIIMV-UHFFFAOYSA-N -1 1 367.431 0.732 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCCN(C)S(C)(=O)=O)cnc2n1 ZINC000613687657 491991550 /nfs/dbraw/zinc/99/15/50/491991550.db2.gz UMXHSMDAGJOXRQ-UHFFFAOYSA-N -1 1 352.416 0.655 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCN(C)S(C)(=O)=O)c2=O ZINC000613687657 491991551 /nfs/dbraw/zinc/99/15/51/491991551.db2.gz UMXHSMDAGJOXRQ-UHFFFAOYSA-N -1 1 352.416 0.655 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000603521706 492036440 /nfs/dbraw/zinc/03/64/40/492036440.db2.gz YIVLECLFQAIWHQ-JTQLQIEISA-N -1 1 350.400 0.077 10 0 FCAEMM COC(=O)c1cccc2nc(NC(=O)C3(n4cnnn4)CCOCC3)[nH]c21 ZINC000597417493 492036837 /nfs/dbraw/zinc/03/68/37/492036837.db2.gz CQVAAFNORBPAQD-UHFFFAOYSA-N -1 1 371.357 0.480 10 0 FCAEMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CC(O)(CO)C1 ZINC000615434960 492090515 /nfs/dbraw/zinc/09/05/15/492090515.db2.gz NAOJYSJUVMRVAB-UHFFFAOYSA-N -1 1 353.172 0.882 10 0 FCAEMM CC(=O)N1CCN(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000605446885 492096195 /nfs/dbraw/zinc/09/61/95/492096195.db2.gz PRCYPOIMJWMENS-UHFFFAOYSA-N -1 1 364.349 0.984 10 0 FCAEMM CN(C)S(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000605532232 492097773 /nfs/dbraw/zinc/09/77/73/492097773.db2.gz SRVRRROOZIPODH-UHFFFAOYSA-N -1 1 364.431 0.649 10 0 FCAEMM O=C(CCNS(=O)(=O)c1cccs1)NC1(c2nn[n-]n2)CCCC1 ZINC000605530981 492098008 /nfs/dbraw/zinc/09/80/08/492098008.db2.gz SFSSAJRNSIHXGG-UHFFFAOYSA-N -1 1 370.460 0.515 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(c2ncns2)CC1 ZINC000615805087 492103886 /nfs/dbraw/zinc/10/38/86/492103886.db2.gz KJNLOMRBBCZNNR-UHFFFAOYSA-N -1 1 373.442 0.795 10 0 FCAEMM COc1ccc(COCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000605877632 492104442 /nfs/dbraw/zinc/10/44/42/492104442.db2.gz FKUICNZSXXOXFK-UHFFFAOYSA-N -1 1 354.388 0.762 10 0 FCAEMM COc1ccc(COCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000605877632 492104445 /nfs/dbraw/zinc/10/44/45/492104445.db2.gz FKUICNZSXXOXFK-UHFFFAOYSA-N -1 1 354.388 0.762 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)n[n-]1 ZINC000615918930 492106935 /nfs/dbraw/zinc/10/69/35/492106935.db2.gz IXFCLBYDDOLEGT-SNVBAGLBSA-N -1 1 373.369 0.412 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)n1 ZINC000615918930 492106936 /nfs/dbraw/zinc/10/69/36/492106936.db2.gz IXFCLBYDDOLEGT-SNVBAGLBSA-N -1 1 373.369 0.412 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN2c3ccccc3O[C@@H](C)C2=O)n[n-]1 ZINC000615918929 492107183 /nfs/dbraw/zinc/10/71/83/492107183.db2.gz IXFCLBYDDOLEGT-JTQLQIEISA-N -1 1 373.369 0.412 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN2c3ccccc3O[C@@H](C)C2=O)n1 ZINC000615918929 492107186 /nfs/dbraw/zinc/10/71/86/492107186.db2.gz IXFCLBYDDOLEGT-JTQLQIEISA-N -1 1 373.369 0.412 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)n[n-]1 ZINC000615919594 492107888 /nfs/dbraw/zinc/10/78/88/492107888.db2.gz SFHZWHAYRUZGGD-UHFFFAOYSA-N -1 1 373.348 0.690 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)n1 ZINC000615919594 492107890 /nfs/dbraw/zinc/10/78/90/492107890.db2.gz SFHZWHAYRUZGGD-UHFFFAOYSA-N -1 1 373.348 0.690 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc4oc(=O)nc-4[n-]3)[C@H](C)C2)n[nH]1 ZINC000616192566 492120696 /nfs/dbraw/zinc/12/06/96/492120696.db2.gz KRDFUHQTWVHMFB-SNVBAGLBSA-N -1 1 370.369 0.947 10 0 FCAEMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000606752455 492129354 /nfs/dbraw/zinc/12/93/54/492129354.db2.gz OIVYAJZFZZUZJM-UHFFFAOYSA-N -1 1 352.397 0.783 10 0 FCAEMM COCCOc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)c1 ZINC000599220889 492144698 /nfs/dbraw/zinc/14/46/98/492144698.db2.gz SZXKUYNQSHCHLA-UHFFFAOYSA-N -1 1 370.383 0.965 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)C(=O)OC ZINC000599256390 492149759 /nfs/dbraw/zinc/14/97/59/492149759.db2.gz ZGKRQZVQMHPUQG-SECBINFHSA-N -1 1 351.327 0.981 10 0 FCAEMM C[C@@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000608490337 492177983 /nfs/dbraw/zinc/17/79/83/492177983.db2.gz XGHYMTPWOCAUJO-QMTHXVAHSA-N -1 1 366.381 0.580 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000599476413 492178092 /nfs/dbraw/zinc/17/80/92/492178092.db2.gz SWZAAKGGVGEJRG-UHFFFAOYSA-N -1 1 350.343 0.313 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)co1 ZINC000619263780 492256641 /nfs/dbraw/zinc/25/66/41/492256641.db2.gz KELNTMDURWENGV-XVKPBYJWSA-N -1 1 356.322 0.980 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000647578688 492322048 /nfs/dbraw/zinc/32/20/48/492322048.db2.gz VDUHPAWABXRJFN-DJIMGWMZSA-N -1 1 373.453 0.946 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000647678018 492343659 /nfs/dbraw/zinc/34/36/59/492343659.db2.gz MYGVYOKWYRYLOI-AWEZNQCLSA-N -1 1 366.487 0.568 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c(=O)n(C)c1=O ZINC000621324159 492376726 /nfs/dbraw/zinc/37/67/26/492376726.db2.gz ZZTCVGVOUDSVOU-NSHDSACASA-N -1 1 365.402 0.576 10 0 FCAEMM C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)NC(N)=O ZINC000655001349 492390236 /nfs/dbraw/zinc/39/02/36/492390236.db2.gz YETQTSDSWIRWOZ-KSBSHMNSSA-N -1 1 355.761 0.645 10 0 FCAEMM C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)NC(N)=O ZINC000655001347 492390540 /nfs/dbraw/zinc/39/05/40/492390540.db2.gz YETQTSDSWIRWOZ-KBUNVGBDSA-N -1 1 355.761 0.645 10 0 FCAEMM C[C@@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)NC(N)=O ZINC000655001348 492390566 /nfs/dbraw/zinc/39/05/66/492390566.db2.gz YETQTSDSWIRWOZ-KGFZYKRKSA-N -1 1 355.761 0.645 10 0 FCAEMM COCCCn1nc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)ccc1=O ZINC000621709129 492406345 /nfs/dbraw/zinc/40/63/45/492406345.db2.gz MLVFLQGDXUJWHD-HNNXBMFYSA-N -1 1 369.385 0.312 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)C2)n[nH]1 ZINC000655895684 492485256 /nfs/dbraw/zinc/48/52/56/492485256.db2.gz FPXRQQQAZRHZHQ-CHWSQXEVSA-N -1 1 365.434 0.931 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)nc2n1 ZINC000622872071 492492051 /nfs/dbraw/zinc/49/20/51/492492051.db2.gz UNZOBCVSECNRKN-LLVKDONJSA-N -1 1 358.402 0.846 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc4nnn(C)c4c3)nc2n1 ZINC000622997346 492498626 /nfs/dbraw/zinc/49/86/26/492498626.db2.gz VQHOKPWZIQMVOI-UHFFFAOYSA-N -1 1 352.358 0.904 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000656101981 492551749 /nfs/dbraw/zinc/55/17/49/492551749.db2.gz AGWUFGHFBSVCEZ-KGLIPLIRSA-N -1 1 353.463 0.888 10 0 FCAEMM CN(C)CCN1C[C@@H](C(=O)N=c2nc(C3CCOCC3)[n-]s2)CC1=O ZINC000629100140 492578109 /nfs/dbraw/zinc/57/81/09/492578109.db2.gz GOWKUCJSPYOEJI-LBPRGKRZSA-N -1 1 367.475 0.203 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1)C1CC1 ZINC000629286845 492601346 /nfs/dbraw/zinc/60/13/46/492601346.db2.gz HDZLICUONVWCKB-OAHLLOKOSA-N -1 1 356.444 0.966 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cccnc2-n2cncn2)CCOCC1 ZINC000650171700 492619398 /nfs/dbraw/zinc/61/93/98/492619398.db2.gz OBOBMLYTJBCKKZ-UHFFFAOYSA-N -1 1 353.404 0.600 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)CCOCC1 ZINC000650205178 492622958 /nfs/dbraw/zinc/62/29/58/492622958.db2.gz DTHQXLGWWXDAQF-UHFFFAOYSA-N -1 1 360.436 0.569 10 0 FCAEMM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656904176 492665234 /nfs/dbraw/zinc/66/52/34/492665234.db2.gz QGLJKQPMQPLEFZ-UHFFFAOYSA-N -1 1 362.205 0.271 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1ncccc1Br)[C@@H]1CN(C)CCO1 ZINC000656938977 492673406 /nfs/dbraw/zinc/67/34/06/492673406.db2.gz LAIRCZZSTZTCOO-ONGXEEELSA-N -1 1 364.265 0.842 10 0 FCAEMM CC(C)(C[N-]S(=O)(=O)c1ncccc1Br)OCCO ZINC000656995177 492689757 /nfs/dbraw/zinc/68/97/57/492689757.db2.gz YYXZHBHONXIOJO-UHFFFAOYSA-N -1 1 353.238 0.910 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H](COC)[C@@H]2CCCO2)CCOCC1 ZINC000625168756 492733624 /nfs/dbraw/zinc/73/36/24/492733624.db2.gz ZBYHNCLGVZRUEW-KBPBESRZSA-N -1 1 351.465 0.686 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000630442944 492747081 /nfs/dbraw/zinc/74/70/81/492747081.db2.gz WFFSCFMAICGNHL-OAGGEKHMSA-N -1 1 373.519 0.671 10 0 FCAEMM C[N@H+](CCN1CCN(C(=O)CCc2nn[n-]n2)CC1)Cc1ccccc1 ZINC000630928142 492785348 /nfs/dbraw/zinc/78/53/48/492785348.db2.gz QOOHHYGSNCVQEZ-UHFFFAOYSA-N -1 1 357.462 0.409 10 0 FCAEMM C[N@@H+](CCN1CCN(C(=O)CCc2nn[n-]n2)CC1)Cc1ccccc1 ZINC000630928142 492785350 /nfs/dbraw/zinc/78/53/50/492785350.db2.gz QOOHHYGSNCVQEZ-UHFFFAOYSA-N -1 1 357.462 0.409 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[n-]1 ZINC000651672401 492804236 /nfs/dbraw/zinc/80/42/36/492804236.db2.gz ZUFQPQNAIUZPHE-GDBMZVCRSA-N -1 1 370.457 0.856 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000631397414 492816853 /nfs/dbraw/zinc/81/68/53/492816853.db2.gz NJJFKJBVEBLYPF-UHFFFAOYSA-N -1 1 362.409 0.931 10 0 FCAEMM O=C(CCc1nn[nH]n1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000631397414 492816855 /nfs/dbraw/zinc/81/68/55/492816855.db2.gz NJJFKJBVEBLYPF-UHFFFAOYSA-N -1 1 362.409 0.931 10 0 FCAEMM COc1cc(CN2CCN(C(=O)CCc3nn[n-]n3)CC2)cc(OC)c1 ZINC000631610007 492825697 /nfs/dbraw/zinc/82/56/97/492825697.db2.gz OGDXZXYUQALRAZ-UHFFFAOYSA-N -1 1 360.418 0.494 10 0 FCAEMM O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@H+]1C2)c1cc(=O)[nH]cn1 ZINC000626322704 492962581 /nfs/dbraw/zinc/96/25/81/492962581.db2.gz DONWJKBGKXHLLN-LSDHHAIUSA-N -1 1 367.409 0.511 10 0 FCAEMM COCCN(Cc1ccnn1C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632286065 492965581 /nfs/dbraw/zinc/96/55/81/492965581.db2.gz FOZBDAWCLIKERP-UHFFFAOYSA-N -1 1 355.416 0.972 10 0 FCAEMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632443101 492998771 /nfs/dbraw/zinc/99/87/71/492998771.db2.gz ANECXBTUWWCANL-POYBYMJQSA-N -1 1 357.251 0.739 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)sn1 ZINC000632592725 493039015 /nfs/dbraw/zinc/03/90/15/493039015.db2.gz YVPNKWWXZBIXQK-AWEZNQCLSA-N -1 1 361.489 0.346 10 0 FCAEMM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000673848069 493366957 /nfs/dbraw/zinc/36/69/57/493366957.db2.gz JMDIBFPJVHAFCI-CQSZACIVSA-N -1 1 356.382 0.433 10 0 FCAEMM CN(Cc1cnc[nH]1)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000662911043 493552204 /nfs/dbraw/zinc/55/22/04/493552204.db2.gz QTAMGGJNAPYUIN-CABCVRRESA-N -1 1 356.382 0.695 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C3CCC3)C2)n[nH]1 ZINC000663634215 493607735 /nfs/dbraw/zinc/60/77/35/493607735.db2.gz DSGFMVIWPCVIDC-OLZOCXBDSA-N -1 1 363.418 0.436 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663636868 493608596 /nfs/dbraw/zinc/60/85/96/493608596.db2.gz CGPHLXDSSHVJTI-AWEZNQCLSA-N -1 1 353.463 0.936 10 0 FCAEMM O=c1nc(NC[C@]2(CO)COCCN2Cc2ccccc2)nc2[nH][n-]cc1-2 ZINC000664534519 493665812 /nfs/dbraw/zinc/66/58/12/493665812.db2.gz KVEOIDCXAQTPPZ-SFHVURJKSA-N -1 1 370.413 0.107 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106180 546608208 /nfs/dbraw/zinc/60/82/08/546608208.db2.gz RAQFFFYOJACTFG-UHTWSYAYSA-N -1 1 359.448 0.900 10 0 FCAEMM COCC1(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 ZINC000592105565 546608370 /nfs/dbraw/zinc/60/83/70/546608370.db2.gz IVEUVKHCVKDIPU-LBPRGKRZSA-N -1 1 359.448 0.901 10 0 FCAEMM COC(=O)Cn1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)cn1 ZINC000592351227 546629669 /nfs/dbraw/zinc/62/96/69/546629669.db2.gz IKAWODXXBKZENU-CYBMUJFWSA-N -1 1 361.420 0.239 10 0 FCAEMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000593649340 546727982 /nfs/dbraw/zinc/72/79/82/546727982.db2.gz IXUZDHSDAHJBSM-NEPJUHHUSA-N -1 1 364.464 0.273 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)o1 ZINC000593868666 546763164 /nfs/dbraw/zinc/76/31/64/546763164.db2.gz LSUOFRSBPDKADL-SQQOMWROSA-N -1 1 360.457 0.702 10 0 FCAEMM CCC[C@@H](C(=O)OCC)n1ccc([N-]S(=O)(=O)N2CCOCC2)n1 ZINC000594703286 546816022 /nfs/dbraw/zinc/81/60/22/546816022.db2.gz WEXNXXGQCTVHRY-LBPRGKRZSA-N -1 1 360.436 0.776 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594744006 546818512 /nfs/dbraw/zinc/81/85/12/546818512.db2.gz FWGVVVLAJAQLSX-OWCLPIDISA-N -1 1 371.455 0.742 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)c1ccccc1 ZINC000594753953 546819893 /nfs/dbraw/zinc/81/98/93/546819893.db2.gz XGLYDWHXXOWTBL-SOUVJXGZSA-N -1 1 357.428 0.872 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)c1C(F)(F)F ZINC000866850321 663144993 /nfs/dbraw/zinc/14/49/93/663144993.db2.gz ZMCHEVXLMQNXKR-VIFPVBQESA-N -1 1 357.354 0.505 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c(Br)n1 ZINC000866850729 663145300 /nfs/dbraw/zinc/14/53/00/663145300.db2.gz ZBHQCEQPRPANCR-ZCFIWIBFSA-N -1 1 366.159 0.774 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)o1 ZINC000899614445 665948555 /nfs/dbraw/zinc/94/85/55/665948555.db2.gz BEPOIZXOWNEHLH-LLVKDONJSA-N -1 1 356.322 0.575 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CCOC[C@H]1CO ZINC000236515953 664037190 /nfs/dbraw/zinc/03/71/90/664037190.db2.gz MUHWKVKTIOQLLW-SECBINFHSA-N -1 1 363.151 0.830 10 0 FCAEMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000726866144 664927576 /nfs/dbraw/zinc/92/75/76/664927576.db2.gz NSLWRIDTBQMJNT-NSHDSACASA-N -1 1 365.411 0.208 10 0 FCAEMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000728071006 665121312 /nfs/dbraw/zinc/12/13/12/665121312.db2.gz SAXWGDUYUWVGBM-BZJXQOFCSA-N -1 1 373.460 0.405 10 0 FCAEMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000728071006 665121313 /nfs/dbraw/zinc/12/13/13/665121313.db2.gz SAXWGDUYUWVGBM-BZJXQOFCSA-N -1 1 373.460 0.405 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000866960880 665249437 /nfs/dbraw/zinc/24/94/37/665249437.db2.gz VPTKQQPSOSQDEM-XMHCIUCPSA-N -1 1 359.473 0.853 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000866968569 665255721 /nfs/dbraw/zinc/25/57/21/665255721.db2.gz OIKWDCKDIVNDBG-BHVCSQLQSA-N -1 1 353.510 0.582 10 0 FCAEMM O=C([N-][C@H]1CCC(=O)NC1=O)C(F)(F)c1ncccc1Br ZINC000907076396 666091914 /nfs/dbraw/zinc/09/19/14/666091914.db2.gz JXJRTDLJCHDUPL-ZETCQYMHSA-N -1 1 362.130 0.857 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)c1 ZINC000921322285 666432998 /nfs/dbraw/zinc/43/29/98/666432998.db2.gz PUMQQDUAFVVVMH-NWDGAFQWSA-N -1 1 360.457 0.924 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000921338840 666436341 /nfs/dbraw/zinc/43/63/41/666436341.db2.gz RCNKCEAVKJRBSF-LLVKDONJSA-N -1 1 369.237 0.014 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000921378093 666442068 /nfs/dbraw/zinc/44/20/68/666442068.db2.gz NMUCPZFRYLIPQN-QWHCGFSZSA-N -1 1 369.505 0.642 10 0 FCAEMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000921432583 666450677 /nfs/dbraw/zinc/45/06/77/666450677.db2.gz WFAHTEFHCPCLMT-JTQLQIEISA-N -1 1 370.397 0.828 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccco1 ZINC000068348102 666478504 /nfs/dbraw/zinc/47/85/04/666478504.db2.gz RBPRNKKCCJHHSP-SECBINFHSA-N -1 1 360.823 0.958 10 0 FCAEMM CC[C@@H](O)CN1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000183719229 666695794 /nfs/dbraw/zinc/69/57/94/666695794.db2.gz GWYDAICULCSEGQ-NEPJUHHUSA-N -1 1 353.385 0.605 10 0 FCAEMM CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1ccsc1Br ZINC000914372206 666747543 /nfs/dbraw/zinc/74/75/43/666747543.db2.gz CUUWBXCQPNSPIG-ZETCQYMHSA-N -1 1 357.251 0.037 10 0 FCAEMM O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(=O)[nH][n-]1 ZINC000732282739 666864430 /nfs/dbraw/zinc/86/44/30/666864430.db2.gz MHPIFDUSQVTTCL-UHFFFAOYSA-N -1 1 363.175 0.726 10 0 FCAEMM O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(=O)[nH][n-]1 ZINC000732282739 666864433 /nfs/dbraw/zinc/86/44/33/666864433.db2.gz MHPIFDUSQVTTCL-UHFFFAOYSA-N -1 1 363.175 0.726 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000735925650 667060251 /nfs/dbraw/zinc/06/02/51/667060251.db2.gz YHHZYSYMIUJJIM-VIFPVBQESA-N -1 1 369.374 0.635 10 0 FCAEMM C[C@H]1CCN(C(=O)NC[C@H]2COCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000923842608 667141718 /nfs/dbraw/zinc/14/17/18/667141718.db2.gz AAUAKUMPBXUZSP-NAKRPEOUSA-N -1 1 353.341 0.846 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1C(F)(F)F ZINC000921614500 667144386 /nfs/dbraw/zinc/14/43/86/667144386.db2.gz OCRIEWUJVRHPNV-VGMNWLOBSA-N -1 1 355.338 0.521 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(Cl)cnc1Cl ZINC000918968708 667146716 /nfs/dbraw/zinc/14/67/16/667146716.db2.gz AUXGWUXMGYZGRZ-SNVBAGLBSA-N -1 1 370.258 0.360 10 0 FCAEMM CN1C[C@H](CC[N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000921057606 667266189 /nfs/dbraw/zinc/26/61/89/667266189.db2.gz CFXHBWPYNATUNO-SSDOTTSWSA-N -1 1 351.226 0.319 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC000921855498 667520968 /nfs/dbraw/zinc/52/09/68/667520968.db2.gz GKXJIWMQQWDQEW-QWHCGFSZSA-N -1 1 373.441 0.511 10 0 FCAEMM O=S(=O)([N-]CCO[C@@H]1CCOC1)c1ncccc1Br ZINC000921881781 667531365 /nfs/dbraw/zinc/53/13/65/667531365.db2.gz VVCLKQCXZHBSDF-SECBINFHSA-N -1 1 351.222 0.928 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC000921912809 667539710 /nfs/dbraw/zinc/53/97/10/667539710.db2.gz VBTOVHNABCKXBA-ZDUSSCGKSA-N -1 1 353.510 0.582 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)c(Br)n1C ZINC000805033481 667544296 /nfs/dbraw/zinc/54/42/96/667544296.db2.gz IYZTXPBASXKJLA-UHFFFAOYSA-N -1 1 365.253 0.567 10 0 FCAEMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCCOC(C)=O)(C(=O)OC)C1(C)C ZINC000805072620 667613980 /nfs/dbraw/zinc/61/39/80/667613980.db2.gz SHCWPFJNPLYHDL-DOMZBBRYSA-N -1 1 365.448 0.606 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@@H]2CCN(C)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805143952 667725110 /nfs/dbraw/zinc/72/51/10/667725110.db2.gz SBJBBKXRVUQYMQ-MMWGEVLESA-N -1 1 364.368 0.704 10 0 FCAEMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c(=O)n(C)c1 ZINC000760319572 667844673 /nfs/dbraw/zinc/84/46/73/667844673.db2.gz SFSXHFLBDBBBFG-UHFFFAOYSA-N -1 1 360.779 0.658 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737793719 667887488 /nfs/dbraw/zinc/88/74/88/667887488.db2.gz ZJVLWJIOUMWYGH-ZDUSSCGKSA-N -1 1 364.475 0.997 10 0 FCAEMM COC(=O)[C@@H](F)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000838068071 667917415 /nfs/dbraw/zinc/91/74/15/667917415.db2.gz QNWCEJZAYLDSCU-QMMMGPOBSA-N -1 1 350.368 0.597 10 0 FCAEMM Cc1nc(C2([N-]S(=O)(=O)CCS(C)(=O)=O)CCCCCC2)no1 ZINC000741757123 668023349 /nfs/dbraw/zinc/02/33/49/668023349.db2.gz MFLCJKOZQQPFKS-UHFFFAOYSA-N -1 1 365.477 0.892 10 0 FCAEMM Cn1cc(-c2ncc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)s2)cn1 ZINC000773156138 668076097 /nfs/dbraw/zinc/07/60/97/668076097.db2.gz ZRXNJAGABAJDEA-SECBINFHSA-N -1 1 362.444 0.987 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]nc1C)c1ccc2c(c1)CCO2 ZINC000768899083 668104303 /nfs/dbraw/zinc/10/43/03/668104303.db2.gz IPZLQLMPAOKOIG-CQSZACIVSA-N -1 1 351.384 0.846 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c(=O)[nH]c1=O ZINC000769656309 668147075 /nfs/dbraw/zinc/14/70/75/668147075.db2.gz GXTMISIMHDVALG-NEPJUHHUSA-N -1 1 361.464 0.824 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O ZINC000769660830 668147373 /nfs/dbraw/zinc/14/73/73/668147373.db2.gz QLRWDRBJFPQPRO-OLZOCXBDSA-N -1 1 373.475 0.969 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000776627681 668280389 /nfs/dbraw/zinc/28/03/89/668280389.db2.gz KFZPGGGKKOKAQZ-SNVBAGLBSA-N -1 1 364.855 0.599 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000777072091 668307416 /nfs/dbraw/zinc/30/74/16/668307416.db2.gz WNNFCCHIXDOTLL-UHFFFAOYSA-N -1 1 370.431 0.467 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)o1 ZINC000772927832 668336099 /nfs/dbraw/zinc/33/60/99/668336099.db2.gz VXGFDVQBGUHILL-GHMZBOCLSA-N -1 1 373.431 0.784 10 0 FCAEMM CCOC(=O)C(=O)N1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000785594376 668720341 /nfs/dbraw/zinc/72/03/41/668720341.db2.gz RRDPFUVGULVTJO-UHFFFAOYSA-N -1 1 370.789 0.902 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cnn(C)n1 ZINC000791792800 668894106 /nfs/dbraw/zinc/89/41/06/668894106.db2.gz BCEVJPXOEBIWDZ-UHFFFAOYSA-N -1 1 352.372 0.616 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(F)cc1Cl ZINC000795802374 669062549 /nfs/dbraw/zinc/06/25/49/669062549.db2.gz CGUZQWONOZCGEA-QMMMGPOBSA-N -1 1 367.782 0.959 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)c(F)cc1Cl ZINC000795814033 669063242 /nfs/dbraw/zinc/06/32/42/669063242.db2.gz BSHMMJAKWWWREV-ZETCQYMHSA-N -1 1 364.782 0.775 10 0 FCAEMM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2[nH]cnc2cc1F ZINC000820645959 669112383 /nfs/dbraw/zinc/11/23/83/669112383.db2.gz RVDFSGFYSFSAOJ-JGVFFNPUSA-N -1 1 357.363 0.959 10 0 FCAEMM NS(=O)(=O)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])nc1 ZINC000798342844 669232974 /nfs/dbraw/zinc/23/29/74/669232974.db2.gz PRRFMFFCZYKWBL-UHFFFAOYSA-N -1 1 373.188 0.844 10 0 FCAEMM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798462180 669239536 /nfs/dbraw/zinc/23/95/36/669239536.db2.gz CIFYSVCHWDIHPA-KOLCDFICSA-N -1 1 358.382 0.884 10 0 FCAEMM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798462181 669239741 /nfs/dbraw/zinc/23/97/41/669239741.db2.gz CIFYSVCHWDIHPA-MWLCHTKSSA-N -1 1 358.382 0.884 10 0 FCAEMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806696015 669433098 /nfs/dbraw/zinc/43/30/98/669433098.db2.gz XZNUDTRVLKXABL-QMMMGPOBSA-N -1 1 373.435 0.650 10 0 FCAEMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806696015 669433100 /nfs/dbraw/zinc/43/31/00/669433100.db2.gz XZNUDTRVLKXABL-QMMMGPOBSA-N -1 1 373.435 0.650 10 0 FCAEMM CCc1cnc(CCNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)s1 ZINC000806919158 669453195 /nfs/dbraw/zinc/45/31/95/669453195.db2.gz NLDFTFFOQBHAMO-UHFFFAOYSA-N -1 1 358.427 0.658 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H](OC(F)F)C3)ccnc1-2 ZINC000806966735 669456527 /nfs/dbraw/zinc/45/65/27/669456527.db2.gz OTAHUYNZHUSAIP-VIFPVBQESA-N -1 1 353.329 0.511 10 0 FCAEMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000808328169 669561721 /nfs/dbraw/zinc/56/17/21/669561721.db2.gz LPTLVHVFCVREKR-QMMMGPOBSA-N -1 1 354.885 0.528 10 0 FCAEMM O=C(c1ccc(I)cc1[O-])N1CC[C@@H](O)[C@@H](O)C1 ZINC000827566236 669577794 /nfs/dbraw/zinc/57/77/94/669577794.db2.gz UOAXURNDDJTIMX-KOLCDFICSA-N -1 1 363.151 0.565 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000827583674 669580791 /nfs/dbraw/zinc/58/07/91/669580791.db2.gz HAZMKBVXUVPPJC-SNVBAGLBSA-N -1 1 368.356 0.496 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831398995 669844196 /nfs/dbraw/zinc/84/41/96/669844196.db2.gz XLCIYRCXQKZIHH-HTQZYQBOSA-N -1 1 356.857 0.059 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C)C(=O)OCc1ccccc1 ZINC000814286827 669880077 /nfs/dbraw/zinc/88/00/77/669880077.db2.gz RCJWXPGGJMFTNT-YDHLFZDLSA-N -1 1 356.444 0.798 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CC[C@H](C)C1)C(=O)OCc1ccccc1 ZINC000814286956 669880240 /nfs/dbraw/zinc/88/02/40/669880240.db2.gz VUUZBHULFXEYRD-YDHLFZDLSA-N -1 1 356.444 0.655 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C)c1C(F)(F)F ZINC000867078693 669912030 /nfs/dbraw/zinc/91/20/30/669912030.db2.gz JMTCNVPRWQTOTB-UHFFFAOYSA-N -1 1 364.353 0.923 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)c1C(F)(F)F ZINC000867109364 669941671 /nfs/dbraw/zinc/94/16/71/669941671.db2.gz JDFMPMBTKWRLNK-SNVBAGLBSA-N -1 1 371.381 0.895 10 0 FCAEMM CNC(=O)C[C@@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000836634280 670055350 /nfs/dbraw/zinc/05/53/50/670055350.db2.gz YVMMTWKEOWSTHV-WYFGTUCQSA-N -1 1 366.384 0.998 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000867259440 670547218 /nfs/dbraw/zinc/54/72/18/670547218.db2.gz MADHOVKFLBNWCR-AMXDTQDGSA-N -1 1 366.509 0.619 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)CC1(N(C)C)CC1)C(=O)OCc1ccccc1 ZINC000867303634 670726950 /nfs/dbraw/zinc/72/69/50/670726950.db2.gz LMDKXUWMEXPFBU-ZFWWWQNUSA-N -1 1 370.471 0.493 10 0 FCAEMM C[C@H](OCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1nccn1C ZINC000843013677 670765942 /nfs/dbraw/zinc/76/59/42/670765942.db2.gz JAQYMBIWIXLMMC-LBPRGKRZSA-N -1 1 358.464 0.428 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnc(OCC3CC3)cn2)CCC1 ZINC000843013018 670765985 /nfs/dbraw/zinc/76/59/85/670765985.db2.gz CJYVQGPWZXQXBG-UHFFFAOYSA-N -1 1 368.459 0.809 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCc3nn(C)cc32)CCC1 ZINC000843012957 670766107 /nfs/dbraw/zinc/76/61/07/670766107.db2.gz ANBWMBQVAKTVRL-LBPRGKRZSA-N -1 1 354.476 0.770 10 0 FCAEMM Cc1nc2ccnn2cc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843013199 670766139 /nfs/dbraw/zinc/76/61/39/670766139.db2.gz BUYHVXNKYNKQSY-UHFFFAOYSA-N -1 1 351.432 0.582 10 0 FCAEMM Cc1c(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)nn2c1OCCC2 ZINC000843015162 670766666 /nfs/dbraw/zinc/76/66/66/670766666.db2.gz QWFDGPOLLWRNKI-UHFFFAOYSA-N -1 1 356.448 0.518 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnn2CC(F)F)CCC1 ZINC000843014768 670766859 /nfs/dbraw/zinc/76/68/59/670766859.db2.gz QNZDHJPRJJOSPR-UHFFFAOYSA-N -1 1 350.391 0.692 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCC1 ZINC000843017513 670767762 /nfs/dbraw/zinc/76/77/62/670767762.db2.gz HTHBBYMOWXDWHP-CQSZACIVSA-N -1 1 366.439 0.698 10 0 FCAEMM CCc1noc(CCCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)n1 ZINC000843019143 670768664 /nfs/dbraw/zinc/76/86/64/670768664.db2.gz LLDUBUOPGGOGOQ-UHFFFAOYSA-N -1 1 358.464 0.885 10 0 FCAEMM CN(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1 ZINC000843019432 670769243 /nfs/dbraw/zinc/76/92/43/670769243.db2.gz QIMFEJAWBLHPTJ-UHFFFAOYSA-N -1 1 374.507 0.310 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@@H]1CSc2ccccc2O1 ZINC000843962882 670873816 /nfs/dbraw/zinc/87/38/16/670873816.db2.gz KZIKJNCNTWXPER-GFCCVEGCSA-N -1 1 361.423 0.986 10 0 FCAEMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867344590 670891295 /nfs/dbraw/zinc/89/12/95/670891295.db2.gz GQQWFNHKQDAEJL-DTWKUNHWSA-N -1 1 357.354 0.769 10 0 FCAEMM C[S@@](=O)(=NS(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000867354607 670921323 /nfs/dbraw/zinc/92/13/23/670921323.db2.gz GUPLRKDFOPYLEW-UDFDBXRZSA-N -1 1 373.500 0.841 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@H](C(=O)NN2CC(=O)[N-]C2=O)CC[C@H]1C1CC1 ZINC000845219592 670980732 /nfs/dbraw/zinc/98/07/32/670980732.db2.gz MGKFGTSWYCWBLU-QWRGUYRKSA-N -1 1 352.391 0.748 10 0 FCAEMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000845975955 671059914 /nfs/dbraw/zinc/05/99/14/671059914.db2.gz ODCTYUWAYJJQOC-ZETCQYMHSA-N -1 1 368.770 0.701 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000846005073 671066673 /nfs/dbraw/zinc/06/66/73/671066673.db2.gz WWAMIQRZCWZSRG-UHFFFAOYSA-N -1 1 369.241 0.179 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C(C)(C)CN2CCOCC2)c1C(F)(F)F ZINC000867406736 671090939 /nfs/dbraw/zinc/09/09/39/671090939.db2.gz NGDWEPSCEBKFMS-UHFFFAOYSA-N -1 1 370.397 0.828 10 0 FCAEMM CCCN1C[C@@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000867420300 671108651 /nfs/dbraw/zinc/10/86/51/671108651.db2.gz SVJXUMJVTSZIKY-SECBINFHSA-N -1 1 368.381 0.976 10 0 FCAEMM CN1CC[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000867428062 671122797 /nfs/dbraw/zinc/12/27/97/671122797.db2.gz CVSFVYCQNWZULU-IPQOISQHSA-N -1 1 359.473 0.846 10 0 FCAEMM Cn1cnnc1N1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000848497810 671281000 /nfs/dbraw/zinc/28/10/00/671281000.db2.gz QOQAGKRHIHISLC-UHFFFAOYSA-N -1 1 357.447 0.911 10 0 FCAEMM CCc1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000848608246 671286105 /nfs/dbraw/zinc/28/61/05/671286105.db2.gz RKAJVCPWFJPRHB-TVYUQYBPSA-N -1 1 350.419 0.840 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CC1 ZINC000849230213 671323076 /nfs/dbraw/zinc/32/30/76/671323076.db2.gz AJJOFKIHKYTDOO-ZJUUUORDSA-N -1 1 372.365 0.712 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CC1 ZINC000849230212 671323227 /nfs/dbraw/zinc/32/32/27/671323227.db2.gz AJJOFKIHKYTDOO-VHSXEESVSA-N -1 1 372.365 0.712 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849232903 671324049 /nfs/dbraw/zinc/32/40/49/671324049.db2.gz TXCBIBQSSIAWQM-DTWKUNHWSA-N -1 1 360.354 0.712 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849232902 671324186 /nfs/dbraw/zinc/32/41/86/671324186.db2.gz TXCBIBQSSIAWQM-BDAKNGLRSA-N -1 1 360.354 0.712 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)c1Cl ZINC000849418951 671340711 /nfs/dbraw/zinc/34/07/11/671340711.db2.gz FZTQXBPKEUSWKK-IBGZPJMESA-N -1 1 353.775 0.663 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)o1 ZINC000849419350 671340768 /nfs/dbraw/zinc/34/07/68/671340768.db2.gz ICIPQGXWDTYJNH-OAQYLSRUSA-N -1 1 363.335 0.656 10 0 FCAEMM CNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852521930 671511769 /nfs/dbraw/zinc/51/17/69/671511769.db2.gz WJGSLOFWYQVLCQ-GXSJLCMTSA-N -1 1 367.368 0.586 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852958183 671534057 /nfs/dbraw/zinc/53/40/57/671534057.db2.gz FXCRWHSQZKLSFZ-GXSJLCMTSA-N -1 1 363.292 0.648 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C(C)C)N1CCCCC1)OC ZINC000853205010 671541717 /nfs/dbraw/zinc/54/17/17/671541717.db2.gz BCTZNWDRSARKHU-KBPBESRZSA-N -1 1 350.481 0.604 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1)OC ZINC000853205515 671541999 /nfs/dbraw/zinc/54/19/99/671541999.db2.gz GSEYLEAAYJELHF-GFCCVEGCSA-N -1 1 354.388 0.193 10 0 FCAEMM C[C@@H]1CCN(Cn2nc(CO)n(C)c2=S)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853624143 671552085 /nfs/dbraw/zinc/55/20/85/671552085.db2.gz XEFBQZOWTIGQFJ-BDAKNGLRSA-N -1 1 367.397 0.790 10 0 FCAEMM CCOC(=O)C[C@@H](CO)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000854543137 671583001 /nfs/dbraw/zinc/58/30/01/671583001.db2.gz VBQMHQLTZYVPIQ-NSHDSACASA-N -1 1 350.375 0.025 10 0 FCAEMM Cc1ccc(CS(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)cc1F ZINC000903176741 675918797 /nfs/dbraw/zinc/91/87/97/675918797.db2.gz SJLHUSBANHNYIA-UHFFFAOYSA-N -1 1 351.421 0.367 10 0 FCAEMM COCc1nc(CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)n[nH]1 ZINC000855520970 671651117 /nfs/dbraw/zinc/65/11/17/671651117.db2.gz JVWDONVMVFWDJI-UHFFFAOYSA-N -1 1 360.399 0.266 10 0 FCAEMM O=S(=O)([N-]CCCn1cncn1)c1ccc(Br)nc1F ZINC000858900393 671781427 /nfs/dbraw/zinc/78/14/27/671781427.db2.gz QWUJSXFXYSKBOJ-UHFFFAOYSA-N -1 1 364.200 0.943 10 0 FCAEMM O=S(=O)([N-]C[C@H]1COCCO1)c1ccc(Br)nc1F ZINC000858913907 671782440 /nfs/dbraw/zinc/78/24/40/671782440.db2.gz OFLYUDVOHWBDJJ-ZETCQYMHSA-N -1 1 355.185 0.677 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859202980 671800413 /nfs/dbraw/zinc/80/04/13/671800413.db2.gz IBEYYQRBFDUPMC-UHFFFAOYSA-N -1 1 370.200 0.671 10 0 FCAEMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859209984 671801086 /nfs/dbraw/zinc/80/10/86/671801086.db2.gz BOWOAUMSLYIADW-JTQLQIEISA-N -1 1 357.201 0.659 10 0 FCAEMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859209985 671801403 /nfs/dbraw/zinc/80/14/03/671801403.db2.gz BOWOAUMSLYIADW-SNVBAGLBSA-N -1 1 357.201 0.659 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCCC23OCCO3)on1 ZINC000859226572 671802609 /nfs/dbraw/zinc/80/26/09/671802609.db2.gz NKRXGUWNDJCDBA-LBPRGKRZSA-N -1 1 360.388 0.566 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000117320409 671875819 /nfs/dbraw/zinc/87/58/19/671875819.db2.gz ZDVQODKAXJHDPN-SNVBAGLBSA-N -1 1 354.461 0.584 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CS(=O)(=O)N(C)C)c1 ZINC000861145917 671940757 /nfs/dbraw/zinc/94/07/57/671940757.db2.gz JPLQWFJNVGQDHP-RKFFSXRUSA-N -1 1 363.457 0.626 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000862236058 672039810 /nfs/dbraw/zinc/03/98/10/672039810.db2.gz HWSMNQTXBIVNIZ-ZJUUUORDSA-N -1 1 360.336 0.942 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000866441690 672274157 /nfs/dbraw/zinc/27/41/57/672274157.db2.gz RIQLAQXSINFQQC-DCVWQXJKSA-N -1 1 355.526 0.826 10 0 FCAEMM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866499619 672278552 /nfs/dbraw/zinc/27/85/52/672278552.db2.gz NRKXHGDJVUSWSJ-VIFPVBQESA-N -1 1 356.370 0.438 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCc3c(nnn3C)C2)c1C(F)(F)F ZINC000867485466 672324018 /nfs/dbraw/zinc/32/40/18/672324018.db2.gz BCBWFGNHXBNVDN-ZETCQYMHSA-N -1 1 364.353 0.403 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(Cl)nc1F ZINC000867503429 672327386 /nfs/dbraw/zinc/32/73/86/672327386.db2.gz DZMNIZBFTCTHGH-GFCCVEGCSA-N -1 1 354.787 0.320 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867519045 672329942 /nfs/dbraw/zinc/32/99/42/672329942.db2.gz AUURMRIHQZDVNE-SNVBAGLBSA-N -1 1 372.216 0.752 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCCN(CCF)C1)c1nc[nH]c1Br ZINC000867713121 672357980 /nfs/dbraw/zinc/35/79/80/672357980.db2.gz MOPKEDGWQGCOOZ-MRVPVSSYSA-N -1 1 355.233 0.884 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000867762790 672364672 /nfs/dbraw/zinc/36/46/72/672364672.db2.gz KBAGJKYRXBVUNI-CYBMUJFWSA-N -1 1 361.391 0.940 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000130950189 673365277 /nfs/dbraw/zinc/36/52/77/673365277.db2.gz FXXPQLINJIZLCC-UHFFFAOYSA-N -1 1 368.459 0.464 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1Cl ZINC000800197522 673422214 /nfs/dbraw/zinc/42/22/14/673422214.db2.gz JLYIDMBNMHHOGE-IUCAKERBSA-N -1 1 370.884 0.070 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@H]12)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000925170956 673781163 /nfs/dbraw/zinc/78/11/63/673781163.db2.gz OQKGXXDMCGXGHT-CHWSQXEVSA-N -1 1 366.491 0.979 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N1CCN(CC2CCCCC2)CC1)C(=O)[O-] ZINC000927956977 673893855 /nfs/dbraw/zinc/89/38/55/673893855.db2.gz SHPAYATUOMPPQQ-OAHLLOKOSA-N -1 1 353.463 0.938 10 0 FCAEMM CC(C)S(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001719615891 1170383670 /nfs/dbraw/zinc/38/36/70/1170383670.db2.gz MHOBGDNPFKPBIW-NEPJUHHUSA-N -1 1 369.443 0.330 10 0 FCAEMM C[N@H+]1CCC[C@H](NC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000052589440 1179383544 /nfs/dbraw/zinc/38/35/44/1179383544.db2.gz DCUKTWLRNXLFEK-LBPRGKRZSA-N -1 1 358.402 0.616 10 0 FCAEMM CNC(=O)NCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000397360922 1187809720 /nfs/dbraw/zinc/80/97/20/1187809720.db2.gz DIJMXXXQALQANV-UHFFFAOYSA-N -1 1 371.644 0.705 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001687390773 1188352396 /nfs/dbraw/zinc/35/23/96/1188352396.db2.gz JUEMXJWEUFKVDG-LRDDRELGSA-N -1 1 362.430 0.851 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](CO)c1ccccc1 ZINC001687391290 1188352672 /nfs/dbraw/zinc/35/26/72/1188352672.db2.gz YALGDODVUYQHGU-CYBMUJFWSA-N -1 1 358.398 0.830 10 0 FCAEMM COC(=O)c1ccncc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000761722227 1197770838 /nfs/dbraw/zinc/77/08/38/1197770838.db2.gz GVWIDNDGEBEGMA-UHFFFAOYSA-N -1 1 372.333 0.990 10 0 FCAEMM COC(=O)c1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806826898 1202780178 /nfs/dbraw/zinc/78/01/78/1202780178.db2.gz DFGNPEYWKLDBRG-UHFFFAOYSA-N -1 1 367.365 0.383 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)nc2n1 ZINC000813377581 1202994024 /nfs/dbraw/zinc/99/40/24/1202994024.db2.gz HTBOYSVNMDLPTB-KRWDZBQOSA-N -1 1 353.338 0.836 10 0 FCAEMM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1nn[n-]n1 ZINC001136750882 1203264312 /nfs/dbraw/zinc/26/43/12/1203264312.db2.gz LXBVMKROPLOSPB-UHFFFAOYSA-N -1 1 370.335 0.926 10 0 FCAEMM C[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001174931719 1206297038 /nfs/dbraw/zinc/29/70/38/1206297038.db2.gz UZYQTYDBQIRYOR-WCFLWFBJSA-N -1 1 360.418 0.469 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001176593841 1206315223 /nfs/dbraw/zinc/31/52/23/1206315223.db2.gz JSMKZFIEZKQWAO-NSHDSACASA-N -1 1 363.422 0.437 10 0 FCAEMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001177476495 1206339854 /nfs/dbraw/zinc/33/98/54/1206339854.db2.gz SYGJZJFXKLYVHN-RYUDHWBXSA-N -1 1 365.386 0.134 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CCc3nnn(C)c3C2)[n-]c1=O ZINC001180059264 1206388640 /nfs/dbraw/zinc/38/86/40/1206388640.db2.gz FNDTULQSISXCRH-ZYHUDNBSSA-N -1 1 358.402 0.788 10 0 FCAEMM COC(=O)[C@]1(O)CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC001184191141 1206466262 /nfs/dbraw/zinc/46/62/62/1206466262.db2.gz MKEUTBIAQWTQNW-KRWDZBQOSA-N -1 1 362.386 0.121 10 0 FCAEMM CCO[C@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)C(C)C ZINC001489576642 1208956431 /nfs/dbraw/zinc/95/64/31/1208956431.db2.gz LZKZAUDIDOEERW-ZLDLUXBVSA-N -1 1 351.403 0.150 10 0 FCAEMM CC(C)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001490087552 1209248932 /nfs/dbraw/zinc/24/89/32/1209248932.db2.gz INZZPLQDSYTDOS-NEPJUHHUSA-N -1 1 369.443 0.330 10 0 FCAEMM C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001490218998 1209289427 /nfs/dbraw/zinc/28/94/27/1209289427.db2.gz MRUAOACLPCGOKF-FMTVUPSXSA-N -1 1 360.414 0.219 10 0 FCAEMM C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001490280570 1209294936 /nfs/dbraw/zinc/29/49/36/1209294936.db2.gz NVTZUAQSCVUISM-QJJZASRKSA-N -1 1 358.402 0.208 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCn1cccn1 ZINC001490262993 1209305564 /nfs/dbraw/zinc/30/55/64/1209305564.db2.gz SRSSMTSHQPOAIV-ZIAGYGMSSA-N -1 1 357.414 0.898 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2n1CCC2 ZINC000851701772 1209516656 /nfs/dbraw/zinc/51/66/56/1209516656.db2.gz IHONOVYGFDNQLZ-KCJUWKMLSA-N -1 1 374.319 0.566 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]2CCCC[C@H]12 ZINC000855642989 1209676540 /nfs/dbraw/zinc/67/65/40/1209676540.db2.gz NEKUHIAZVGPHSV-MGPQQGTHSA-N -1 1 363.414 0.507 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000856494516 1209713262 /nfs/dbraw/zinc/71/32/62/1209713262.db2.gz KHYXITDDQBDMDJ-AWEZNQCLSA-N -1 1 365.393 0.916 10 0 FCAEMM O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000859277787 1209815299 /nfs/dbraw/zinc/81/52/99/1209815299.db2.gz BHVGQZLVRVHXNC-BDAKNGLRSA-N -1 1 371.323 0.893 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000861821773 1209884445 /nfs/dbraw/zinc/88/44/45/1209884445.db2.gz ZBAUYHYYODJVFL-SNVBAGLBSA-N -1 1 367.406 0.830 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000862648203 1209918656 /nfs/dbraw/zinc/91/86/56/1209918656.db2.gz KXRTWQNMTCEELE-UHFFFAOYSA-N -1 1 367.308 0.607 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001137227603 1210827411 /nfs/dbraw/zinc/82/74/11/1210827411.db2.gz GPJMVMXJIVHSDA-LBPRGKRZSA-N -1 1 365.386 0.086 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@]3(C)Oc4ccccc4NC3=O)nc2n1 ZINC001274693174 1211103442 /nfs/dbraw/zinc/10/34/42/1211103442.db2.gz KKBAAQRRPNOXAV-INIZCTEOSA-N -1 1 354.326 0.454 10 0 FCAEMM CC(C)(C(N)=O)N1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927782563 1211581216 /nfs/dbraw/zinc/58/12/16/1211581216.db2.gz OWXXSOHVKACWSU-UHFFFAOYSA-N -1 1 370.400 0.804 10 0 FCAEMM C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929728070 1211657118 /nfs/dbraw/zinc/65/71/18/1211657118.db2.gz RTEUBGIILIQOMK-SNVBAGLBSA-N -1 1 369.368 0.456 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccco1 ZINC001490834105 1211764448 /nfs/dbraw/zinc/76/44/48/1211764448.db2.gz LPPLTVOWEIJRRY-UPJWGTAASA-N -1 1 372.381 0.082 10 0 FCAEMM O=C(c1c(C(F)(F)F)nc2n1CCCC2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826834557 1218907467 /nfs/dbraw/zinc/90/74/67/1218907467.db2.gz UAHYRIOWUFPFCV-QMMMGPOBSA-N -1 1 371.323 0.965 10 0 FCAEMM C[C@@H](CN(C)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000783705437 1221215693 /nfs/dbraw/zinc/21/56/93/1221215693.db2.gz YDDKMWSGGCEZMT-NSHDSACASA-N -1 1 368.438 0.788 10 0 FCAEMM O=C([O-])c1ccc(CN2C(=O)C[C@@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001116837644 1221394434 /nfs/dbraw/zinc/39/44/34/1221394434.db2.gz JOUIHBUYOQQQCB-KUHUBIRLSA-N -1 1 371.393 0.224 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001116862136 1221397324 /nfs/dbraw/zinc/39/73/24/1221397324.db2.gz IEMVEPGBPBVQPF-LJQANCHMSA-N -1 1 367.409 0.421 10 0 FCAEMM C[C@@]1(c2cccc(CNC(=O)C(=O)c3ccc([O-])cc3)c2)NC(=O)NC1=O ZINC001117407318 1221541104 /nfs/dbraw/zinc/54/11/04/1221541104.db2.gz JCXDCHJEMAMMQY-IBGZPJMESA-N -1 1 367.361 0.946 10 0 FCAEMM COC[C@@H](CCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)OC ZINC001118718774 1221823464 /nfs/dbraw/zinc/82/34/64/1221823464.db2.gz IZWVDSQXZRELPW-CQSZACIVSA-N -1 1 360.414 0.851 10 0 FCAEMM CCN1CC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1=O ZINC001118980944 1221852928 /nfs/dbraw/zinc/85/29/28/1221852928.db2.gz ANHIJKNHAGVDOM-CQSZACIVSA-N -1 1 355.398 0.420 10 0 FCAEMM C[C@@]1(C(F)(F)F)CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001123488322 1222335082 /nfs/dbraw/zinc/33/50/82/1222335082.db2.gz HXLFPNLQRUFLNG-ZDUSSCGKSA-N -1 1 372.355 0.950 10 0 FCAEMM C[C@@]1(C(F)(F)F)CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001123488322 1222335087 /nfs/dbraw/zinc/33/50/87/1222335087.db2.gz HXLFPNLQRUFLNG-ZDUSSCGKSA-N -1 1 372.355 0.950 10 0 FCAEMM COc1ccc2nc([C@@H](C)NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)[nH]c2c1 ZINC001138589590 1222516723 /nfs/dbraw/zinc/51/67/23/1222516723.db2.gz TZZGVNHPCGEEJW-SECBINFHSA-N -1 1 367.369 0.834 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c(C)n1-c1cnccn1 ZINC001138991330 1222534181 /nfs/dbraw/zinc/53/41/81/1222534181.db2.gz MTVHOJNGRHQKKR-UHFFFAOYSA-N -1 1 368.401 0.521 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000847076424 1245330174 /nfs/dbraw/zinc/33/01/74/1245330174.db2.gz CTTYRBMTAGXYRZ-ITKZLYELSA-N -1 1 357.370 0.949 10 0 FCAEMM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000921839088 1245652965 /nfs/dbraw/zinc/65/29/65/1245652965.db2.gz LKVKRWOIWVRHJW-NVXWUHKLSA-N -1 1 362.430 0.950 10 0 FCAEMM C=CS(=O)(=O)CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001518218113 1265654830 /nfs/dbraw/zinc/65/48/30/1265654830.db2.gz VAJMLMWFIGMSPJ-JTQLQIEISA-N -1 1 356.366 0.852 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC001329594006 1265788399 /nfs/dbraw/zinc/78/83/99/1265788399.db2.gz LZJUMDOSCJFBQE-NAKRPEOUSA-N -1 1 372.351 0.390 10 0 FCAEMM CC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001521790841 1266178589 /nfs/dbraw/zinc/17/85/89/1266178589.db2.gz NARGFBLSQYJCBE-QJPTWQEYSA-N -1 1 360.418 0.288 10 0 FCAEMM CC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001521790840 1266178692 /nfs/dbraw/zinc/17/86/92/1266178692.db2.gz NARGFBLSQYJCBE-IJLUTSLNSA-N -1 1 360.418 0.288 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](CO)Cc1ccccc1 ZINC001254487475 1259886349 /nfs/dbraw/zinc/88/63/49/1259886349.db2.gz CBLBXRCCBDBVJH-CQSZACIVSA-N -1 1 372.425 0.905 10 0 FCAEMM COCCOC[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254489115 1259886704 /nfs/dbraw/zinc/88/67/04/1259886704.db2.gz QMLRRJFODBVDPX-LBPRGKRZSA-N -1 1 366.418 0.449 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001522012101 1266298126 /nfs/dbraw/zinc/29/81/26/1266298126.db2.gz FFGZHRTYKKNEEX-GHMZBOCLSA-N -1 1 366.418 0.767 10 0 FCAEMM CC[C@@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC001332142520 1266344247 /nfs/dbraw/zinc/34/42/47/1266344247.db2.gz SDYOUQUYWGJCTD-CQSZACIVSA-N -1 1 364.450 0.541 10 0 FCAEMM O=C(CCc1nnc[nH]1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282112642 1261342650 /nfs/dbraw/zinc/34/26/50/1261342650.db2.gz TWGDZBUNOCUMQZ-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM O=C(CCc1nc[nH]n1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282112642 1261342660 /nfs/dbraw/zinc/34/26/60/1261342660.db2.gz TWGDZBUNOCUMQZ-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM COC(=O)c1cccn(CC(=O)NCCc2c(F)cc([O-])cc2F)c1=O ZINC001472041643 1261428260 /nfs/dbraw/zinc/42/82/60/1261428260.db2.gz OQLMEXZSSXZGDE-UHFFFAOYSA-N -1 1 366.320 0.978 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1cc[nH]n1 ZINC001282530579 1261509802 /nfs/dbraw/zinc/50/98/02/1261509802.db2.gz WKRBLFFAFNBPIH-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)cn1 ZINC001283967347 1261726867 /nfs/dbraw/zinc/72/68/67/1261726867.db2.gz POFSVXXOVWXWPD-ZNMIVQPWSA-N -1 1 369.425 0.949 10 0 FCAEMM C=C/C(C)=C/CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001345556045 1261738059 /nfs/dbraw/zinc/73/80/59/1261738059.db2.gz XEKVAIIYWCKCSE-NRBOULDASA-N -1 1 370.413 0.659 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001288631845 1262027218 /nfs/dbraw/zinc/02/72/18/1262027218.db2.gz YPINGLCXSGWXAB-MGPQQGTHSA-N -1 1 364.446 0.326 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCC1 ZINC001289866528 1262360591 /nfs/dbraw/zinc/36/05/91/1262360591.db2.gz MUYQMFVSZZGJPI-ZIAGYGMSSA-N -1 1 362.430 0.270 10 0 FCAEMM COCCOCCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001290898986 1262531146 /nfs/dbraw/zinc/53/11/46/1262531146.db2.gz NRCHTVQXUYPBKE-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001291570000 1262559130 /nfs/dbraw/zinc/55/91/30/1262559130.db2.gz QCOXWIVFAQVURF-TZMCWYRMSA-N -1 1 362.430 0.480 10 0 FCAEMM O=C(NCCCCN1CCN(c2ncccn2)CC1)c1c[n-]ncc1=O ZINC001293098308 1262709566 /nfs/dbraw/zinc/70/95/66/1262709566.db2.gz GMJRXASAKWBTIJ-UHFFFAOYSA-N -1 1 357.418 0.304 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)n1 ZINC001297259937 1262857050 /nfs/dbraw/zinc/85/70/50/1262857050.db2.gz HPKBJOIFYCNNLM-HJWRWDBZSA-N -1 1 371.397 0.909 10 0 FCAEMM COC(OC)C(=O)N1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001300600360 1262992103 /nfs/dbraw/zinc/99/21/03/1262992103.db2.gz KDAKCHNAOWVOBC-UHFFFAOYSA-N -1 1 366.418 0.517 10 0 FCAEMM CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001301547788 1263010895 /nfs/dbraw/zinc/01/08/95/1263010895.db2.gz LYVLJJCBDLLXIJ-VIFPVBQESA-N -1 1 362.394 0.924 10 0 FCAEMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001301574852 1263011242 /nfs/dbraw/zinc/01/12/42/1263011242.db2.gz CSDRQCPWFFIFOS-INIZCTEOSA-N -1 1 368.390 0.530 10 0 FCAEMM CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001301588003 1263011657 /nfs/dbraw/zinc/01/16/57/1263011657.db2.gz YJLSAZKYMPQNLA-JTQLQIEISA-N -1 1 370.369 0.552 10 0 FCAEMM Cc1cnn(Cc2cc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)no2)c1 ZINC001302842085 1263061351 /nfs/dbraw/zinc/06/13/51/1263061351.db2.gz IKJGBLPXSSIHTQ-UHFFFAOYSA-N -1 1 370.369 0.726 10 0 FCAEMM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001303199486 1263083197 /nfs/dbraw/zinc/08/31/97/1263083197.db2.gz HUFHCHYOCFOIGN-OAHLLOKOSA-N -1 1 369.433 0.963 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCCC12OCCO2 ZINC001479155832 1263173260 /nfs/dbraw/zinc/17/32/60/1263173260.db2.gz CZXZGKZMIMXYHI-LBPRGKRZSA-N -1 1 350.375 0.350 10 0 FCAEMM CN(Cc1cccc(C(N)=O)c1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479159099 1263174088 /nfs/dbraw/zinc/17/40/88/1263174088.db2.gz VQNGAFHJKMUHJT-UHFFFAOYSA-N -1 1 371.397 0.695 10 0 FCAEMM COCCC[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001479175091 1263175043 /nfs/dbraw/zinc/17/50/43/1263175043.db2.gz CWZNCWCYENUEBN-BFHYXJOUSA-N -1 1 351.451 0.204 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001485391063 1263503601 /nfs/dbraw/zinc/50/36/01/1263503601.db2.gz MYJUQZNKPQALDZ-BYCMXARLSA-N -1 1 361.421 0.988 10 0 FCAEMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001317595770 1263516156 /nfs/dbraw/zinc/51/61/56/1263516156.db2.gz CRIWFVSHZZJYNS-OLZOCXBDSA-N -1 1 364.450 0.240 10 0 FCAEMM CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001317702002 1263520054 /nfs/dbraw/zinc/52/00/54/1263520054.db2.gz LIVAEQLANGXPNH-UONOGXRCSA-N -1 1 361.450 0.764 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 ZINC001318298534 1263560069 /nfs/dbraw/zinc/56/00/69/1263560069.db2.gz WPIAPFSIGKVEST-UHFFFAOYSA-N -1 1 374.382 0.071 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)[n-]1 ZINC001318298534 1263560084 /nfs/dbraw/zinc/56/00/84/1263560084.db2.gz WPIAPFSIGKVEST-UHFFFAOYSA-N -1 1 374.382 0.071 10 0 FCAEMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001507480208 1264365892 /nfs/dbraw/zinc/36/58/92/1264365892.db2.gz CKKFWCVMNWDWMD-QJPTWQEYSA-N -1 1 365.459 0.593 10 0 FCAEMM CCCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001512776503 1264646580 /nfs/dbraw/zinc/64/65/80/1264646580.db2.gz RBORBIRDOKYECK-WCQYABFASA-N -1 1 358.402 0.281 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001512880848 1264710235 /nfs/dbraw/zinc/71/02/35/1264710235.db2.gz CILJNJJWQXWNLC-RAIGVLPGSA-N -1 1 364.446 0.962 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)COc1cccnc1 ZINC001513252790 1264995019 /nfs/dbraw/zinc/99/50/19/1264995019.db2.gz HLGZCAPHUNHYTJ-TZMCWYRMSA-N -1 1 356.382 0.838 10 0 FCAEMM C[C@H](CC(F)(F)F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001513502716 1265160246 /nfs/dbraw/zinc/16/02/46/1265160246.db2.gz ZYZXBVHKNRRXLP-KKZNHRDASA-N -1 1 361.320 0.677 10 0 FCAEMM CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001332546848 1266427711 /nfs/dbraw/zinc/42/77/11/1266427711.db2.gz JICWZOBLORKEGP-SUNYJGFJSA-N -1 1 359.430 0.397 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001522253103 1266442234 /nfs/dbraw/zinc/44/22/34/1266442234.db2.gz WJHCTCKUWZDUAS-XRDGVIPYSA-N -1 1 356.386 0.246 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001522259272 1266447099 /nfs/dbraw/zinc/44/70/99/1266447099.db2.gz VZRCMSUIBYFSOT-SYQHCUMBSA-N -1 1 360.414 0.564 10 0 FCAEMM Cn1cc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])nn1 ZINC001522291597 1266472198 /nfs/dbraw/zinc/47/21/98/1266472198.db2.gz BEXCJALRRUENBR-MCIONIFRSA-N -1 1 370.413 0.410 10 0 FCAEMM CN1CCN(c2ncccc2CNC(=O)N[C@](C)(CCF)C(=O)[O-])CC1 ZINC001333317198 1266577359 /nfs/dbraw/zinc/57/73/59/1266577359.db2.gz CHWYVBRCSKBNNJ-QGZVFWFLSA-N -1 1 367.425 0.836 10 0 FCAEMM CO[C@@H]1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001526305480 1266799898 /nfs/dbraw/zinc/79/98/98/1266799898.db2.gz UYANWZRZSRGRAV-VHSXEESVSA-N -1 1 353.814 0.978 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001526631294 1266823523 /nfs/dbraw/zinc/82/35/23/1266823523.db2.gz NRUUWLABHJXQAZ-APIJFGDWSA-N -1 1 374.441 0.150 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC001526711358 1266830325 /nfs/dbraw/zinc/83/03/25/1266830325.db2.gz KWMPPHTWRZRUDH-NSHDSACASA-N -1 1 350.379 0.323 10 0 FCAEMM CC(C)n1ncc(C(=O)N(C)c2nn[n-]n2)c1I ZINC001334239756 1266905377 /nfs/dbraw/zinc/90/53/77/1266905377.db2.gz WNVDJZUHWNDJFY-UHFFFAOYSA-N -1 1 361.147 0.858 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CC(=O)N1C ZINC001527809940 1266926694 /nfs/dbraw/zinc/92/66/94/1266926694.db2.gz BUWZINVQFVHSFR-MRVPVSSYSA-N -1 1 350.814 0.794 10 0 FCAEMM COC(=O)[C@@H]1CCCN(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)C1=O ZINC001528622534 1266984048 /nfs/dbraw/zinc/98/40/48/1266984048.db2.gz CBQRBGLMNQVCGF-LLVKDONJSA-N -1 1 362.386 0.411 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)c2nn[nH]n2)C1 ZINC001528748699 1266993938 /nfs/dbraw/zinc/99/39/38/1266993938.db2.gz ABSFJZMJEJFWBY-GUYCJALGSA-N -1 1 374.401 0.979 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N(C)c2nn[n-]n2)C1 ZINC001528748699 1266993942 /nfs/dbraw/zinc/99/39/42/1266993942.db2.gz ABSFJZMJEJFWBY-GUYCJALGSA-N -1 1 374.401 0.979 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)n1 ZINC001532455283 1267172277 /nfs/dbraw/zinc/17/22/77/1267172277.db2.gz QJJAGCMNSOFCPG-JTQLQIEISA-N -1 1 360.374 0.702 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CCOC1 ZINC001334998621 1267270764 /nfs/dbraw/zinc/27/07/64/1267270764.db2.gz SZZDOAFFYHNITE-QGZVFWFLSA-N -1 1 352.362 0.462 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3c(Br)cnn3C)nc2n1 ZINC001534787518 1267272274 /nfs/dbraw/zinc/27/22/74/1267272274.db2.gz YSOZBDCVFCITNS-UHFFFAOYSA-N -1 1 366.179 0.403 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)CS(C)(=O)=O ZINC001537753160 1267381485 /nfs/dbraw/zinc/38/14/85/1267381485.db2.gz VSZLOQZTGIHDCI-UHFFFAOYSA-N -1 1 368.459 0.781 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nc(C4(C)CC4)ns3)cc2S1(=O)=O ZINC001539777282 1267435938 /nfs/dbraw/zinc/43/59/38/1267435938.db2.gz OZOCSCRNANQMMO-UHFFFAOYSA-N -1 1 368.444 0.673 10 0 FCAEMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)C1(n2cc(Br)cn2)CC1 ZINC001542946173 1267515079 /nfs/dbraw/zinc/51/50/79/1267515079.db2.gz KLXQTSCEZCJNMX-VIFPVBQESA-N -1 1 368.195 0.248 10 0 FCAEMM O=C(Nc1cnn(CC(F)F)c1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001543705064 1267555907 /nfs/dbraw/zinc/55/59/07/1267555907.db2.gz YIXLRNAUJMDXCO-UHFFFAOYSA-N -1 1 350.285 0.980 10 0 FCAEMM COCCCNC(=O)C1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001543893041 1267563631 /nfs/dbraw/zinc/56/36/31/1267563631.db2.gz MMQVBQOBTFEVPY-UHFFFAOYSA-N -1 1 368.459 0.784 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1 ZINC001546106839 1267635011 /nfs/dbraw/zinc/63/50/11/1267635011.db2.gz OKKFHTIYQRGEFA-ZJUUUORDSA-N -1 1 370.305 0.324 10 0 FCAEMM Cn1nnc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC001546236696 1267640603 /nfs/dbraw/zinc/64/06/03/1267640603.db2.gz UKEZSCNCNSCZLH-UHFFFAOYSA-N -1 1 372.410 0.941 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC(C)(C)CO2)CC1 ZINC001339493817 1268252166 /nfs/dbraw/zinc/25/21/66/1268252166.db2.gz QQAUUUWPBPTAFM-AWEZNQCLSA-N -1 1 356.467 0.145 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](O)c2ccccc2OC)c1 ZINC001556891238 1268903589 /nfs/dbraw/zinc/90/35/89/1268903589.db2.gz KKUXSECAIQNIKM-HNNXBMFYSA-N -1 1 366.395 0.981 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC001557589992 1268955868 /nfs/dbraw/zinc/95/58/68/1268955868.db2.gz ZECYGPIABKJKJQ-PCAWENJQSA-N -1 1 361.431 0.578 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001557922962 1268991567 /nfs/dbraw/zinc/99/15/67/1268991567.db2.gz JTYFXNQNOGFXSK-KOLCDFICSA-N -1 1 355.416 0.992 10 0 FCAEMM CNC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001557951496 1268994095 /nfs/dbraw/zinc/99/40/95/1268994095.db2.gz BYNNYWNJPZEXGU-ZDUSSCGKSA-N -1 1 374.445 0.904 10 0 FCAEMM CC(C)(C)OC(=O)Nc1ccncc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001558079048 1269018591 /nfs/dbraw/zinc/01/85/91/1269018591.db2.gz OSXBVSQGUUDHND-SNVBAGLBSA-N -1 1 359.390 0.993 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CSCC(=O)N1CCCCC1 ZINC001558162914 1269037667 /nfs/dbraw/zinc/03/76/67/1269037667.db2.gz WZRPTWLPMLKLGQ-UHFFFAOYSA-N -1 1 354.480 0.930 10 0 FCAEMM COC(=O)/C=C\[C@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001558833191 1269147179 /nfs/dbraw/zinc/14/71/79/1269147179.db2.gz AGVMDTNWNBXKNW-WYGGZMRJSA-N -1 1 356.382 0.917 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(F)(F)F ZINC001341753866 1269186880 /nfs/dbraw/zinc/18/68/80/1269186880.db2.gz VQTPGDWYMKPIEQ-FXPVBKGRSA-N -1 1 361.320 0.677 10 0 FCAEMM C[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001342114754 1269355166 /nfs/dbraw/zinc/35/51/66/1269355166.db2.gz GXCCGYDLASZXSR-UKRRQHHQSA-N -1 1 370.409 0.976 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)COC[C@@H]1CCCO1 ZINC001342376951 1269449673 /nfs/dbraw/zinc/44/96/73/1269449673.db2.gz WFQFUKMYASSUJQ-HZSPNIEDSA-N -1 1 363.414 0.560 10 0 FCAEMM COC[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCOC1 ZINC001565246957 1269459350 /nfs/dbraw/zinc/45/93/50/1269459350.db2.gz ANTMHPIUNOOBPB-RISCZKNCSA-N -1 1 366.418 0.496 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC001565646076 1269486623 /nfs/dbraw/zinc/48/66/23/1269486623.db2.gz BIMVTYIRPQQUEF-UHFFFAOYSA-N -1 1 372.468 0.622 10 0 FCAEMM COC(=O)[C@@H]1O[C@@H](C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H]1C ZINC001565711687 1269490534 /nfs/dbraw/zinc/49/05/34/1269490534.db2.gz MSUQWOOTLKWKDY-AOAMOSOWSA-N -1 1 362.386 0.635 10 0 FCAEMM CC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])N1CCO[C@H](CC)C1 ZINC001566778106 1269664417 /nfs/dbraw/zinc/66/44/17/1269664417.db2.gz UFCQSPKPBFRYLY-BXUZGUMPSA-N -1 1 371.459 0.868 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c(=O)[n-]1 ZINC001567958461 1269715822 /nfs/dbraw/zinc/71/58/22/1269715822.db2.gz OHTKNYDWWJPLPL-GUTXKFCHSA-N -1 1 360.418 0.668 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c(=O)[n-]1 ZINC001567958462 1269715866 /nfs/dbraw/zinc/71/58/66/1269715866.db2.gz OHTKNYDWWJPLPL-NFAWXSAZSA-N -1 1 360.418 0.668 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@](C)(CNCc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001568028310 1269717767 /nfs/dbraw/zinc/71/77/67/1269717767.db2.gz TUIHHZIGTQMMLK-OGHNNQOOSA-N -1 1 359.434 0.422 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 ZINC001568773589 1269748490 /nfs/dbraw/zinc/74/84/90/1269748490.db2.gz BJCWQKMSJFVQHS-INIZCTEOSA-N -1 1 359.426 0.938 10 0 FCAEMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001569382314 1269780008 /nfs/dbraw/zinc/78/00/08/1269780008.db2.gz PJQGSTMWPCXOHV-ZETCQYMHSA-N -1 1 363.189 0.006 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(N3CCOCC3)CC2)c1 ZINC001570043760 1269833079 /nfs/dbraw/zinc/83/30/79/1269833079.db2.gz DBGIXIZXWPGHHL-UHFFFAOYSA-N -1 1 355.416 0.104 10 0 FCAEMM CNC(=O)[C@@H](CNC(=O)CCc1nn[n-]n1)Cc1ccc(OC)c(F)c1 ZINC001570689643 1269906278 /nfs/dbraw/zinc/90/62/78/1269906278.db2.gz FBAAKSMJPUXNLB-LLVKDONJSA-N -1 1 364.381 0.001 10 0 FCAEMM CCN1C(=O)N=NC1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001570736567 1269909763 /nfs/dbraw/zinc/90/97/63/1269909763.db2.gz BSGFXAPIBWUMKP-UHFFFAOYSA-N -1 1 374.401 0.240 10 0 FCAEMM Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])C(C)(C)CO ZINC001570784589 1269914499 /nfs/dbraw/zinc/91/44/99/1269914499.db2.gz NOQZRDUIIGJUTK-CQSZACIVSA-N -1 1 361.402 0.127 10 0 FCAEMM C[C@@H](CCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001572097840 1269994574 /nfs/dbraw/zinc/99/45/74/1269994574.db2.gz VNRFHGKGXVRRGA-HUBLWGQQSA-N -1 1 351.403 0.606 10 0 FCAEMM CC(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001344004775 1270073672 /nfs/dbraw/zinc/07/36/72/1270073672.db2.gz CCXJBJSZZLZTFM-VXGBXAGGSA-N -1 1 360.418 0.621 10 0 FCAEMM CCN1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C[C@H]2CCOC2)CC1 ZINC001344176392 1270109161 /nfs/dbraw/zinc/10/91/61/1270109161.db2.gz ZIJKFQUCRWFVGC-CYBMUJFWSA-N -1 1 361.450 0.563 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)/C=C\c1ccc[nH]1 ZINC001572946049 1270381998 /nfs/dbraw/zinc/38/19/98/1270381998.db2.gz KOOSTTWPJWFCQD-ONHQGNBLSA-N -1 1 356.382 0.784 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001573186427 1270646479 /nfs/dbraw/zinc/64/64/79/1270646479.db2.gz UYJFKZKWGQBPNG-GARJFASQSA-N -1 1 366.418 0.957 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COCCOC ZINC001573264973 1270718517 /nfs/dbraw/zinc/71/85/17/1270718517.db2.gz UYWDYXHNPQCHNB-QWHCGFSZSA-N -1 1 351.403 0.560 10 0 FCAEMM CCCN(C(=O)[C@@H]1CCO[C@H]1CC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001713718465 1287292687 /nfs/dbraw/zinc/29/26/87/1287292687.db2.gz IDDSHHNGIUUUBK-ZNMIVQPWSA-N -1 1 365.478 0.736 10 0 FCAEMM C[C@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001716495602 1287382320 /nfs/dbraw/zinc/38/23/20/1287382320.db2.gz VCNZUKSEAZGZFU-NGFQHRJXSA-N -1 1 359.430 0.527 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H]1CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001584765389 1282174334 /nfs/dbraw/zinc/17/43/34/1282174334.db2.gz PAGGCWSARKJUGA-AVGNSLFASA-N -1 1 370.413 0.185 10 0 FCAEMM CCCCCS(=O)(=O)CC(=O)N[C@@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001632567601 1282186626 /nfs/dbraw/zinc/18/66/26/1282186626.db2.gz PKKSWSVJWTXRAA-JTQLQIEISA-N -1 1 360.436 0.764 10 0 FCAEMM CCCCCS(=O)(=O)CC(=O)N[C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001632567601 1282186632 /nfs/dbraw/zinc/18/66/32/1282186632.db2.gz PKKSWSVJWTXRAA-JTQLQIEISA-N -1 1 360.436 0.764 10 0 FCAEMM C[C@@]1(CNC(=O)CNC(=O)c2ncccc2[O-])COc2ccccc2O1 ZINC001585593276 1282237103 /nfs/dbraw/zinc/23/71/03/1282237103.db2.gz ZKPMTKPSWRTLJK-GOSISDBHSA-N -1 1 357.366 0.863 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001633469943 1282245826 /nfs/dbraw/zinc/24/58/26/1282245826.db2.gz SCFYYDPRRQLBNO-SNVBAGLBSA-N -1 1 355.445 0.172 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC001633520706 1282251476 /nfs/dbraw/zinc/25/14/76/1282251476.db2.gz FEGKLRMVCBXUNF-UHFFFAOYSA-N -1 1 352.420 0.870 10 0 FCAEMM CN(C(=O)c1cc(F)cc(I)c1N)c1nn[n-]n1 ZINC001585910883 1282255691 /nfs/dbraw/zinc/25/56/91/1282255691.db2.gz OHRHNXDIKFFSCD-UHFFFAOYSA-N -1 1 362.106 0.802 10 0 FCAEMM Cc1oc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1S(=O)(=O)N(C)C ZINC001633586400 1282256246 /nfs/dbraw/zinc/25/62/46/1282256246.db2.gz FJPLPAJIUVANBJ-UHFFFAOYSA-N -1 1 354.392 0.161 10 0 FCAEMM COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3(c4nn[n-]n4)CCC3)C2)c1 ZINC001633586540 1282256696 /nfs/dbraw/zinc/25/66/96/1282256696.db2.gz LPPJEVXFCWEUJI-AWEZNQCLSA-N -1 1 372.385 0.906 10 0 FCAEMM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC3(c4nn[n-]n4)CCC3)C2)c1 ZINC001633586541 1282256723 /nfs/dbraw/zinc/25/67/23/1282256723.db2.gz LPPJEVXFCWEUJI-CQSZACIVSA-N -1 1 372.385 0.906 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383135 1282324771 /nfs/dbraw/zinc/32/47/71/1282324771.db2.gz KTQMWHHXALZIBY-AXFHLTTASA-N -1 1 350.375 0.844 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383135 1282324779 /nfs/dbraw/zinc/32/47/79/1282324779.db2.gz KTQMWHHXALZIBY-AXFHLTTASA-N -1 1 350.375 0.844 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383135 1282324789 /nfs/dbraw/zinc/32/47/89/1282324789.db2.gz KTQMWHHXALZIBY-AXFHLTTASA-N -1 1 350.375 0.844 10 0 FCAEMM COCCn1cc(N2C[C@@H](C(=O)[N-]OC3CCOCC3)CC2=O)cn1 ZINC001634620607 1282340140 /nfs/dbraw/zinc/34/01/40/1282340140.db2.gz GUVPIFKYNBFQQS-LBPRGKRZSA-N -1 1 352.391 0.109 10 0 FCAEMM COC[C@H](NC(=O)c1cnc2c(F)cc(F)cc2c1O)c1nn[n-]n1 ZINC001634622329 1282340228 /nfs/dbraw/zinc/34/02/28/1282340228.db2.gz OYLCEDLQTJBCOE-JTQLQIEISA-N -1 1 350.285 0.437 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)o1 ZINC001634695366 1282348492 /nfs/dbraw/zinc/34/84/92/1282348492.db2.gz RVNDOHRDIXISJM-CYBMUJFWSA-N -1 1 369.333 0.841 10 0 FCAEMM O=C([C@H]1CCCN(c2ccccc2)C1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635007403 1282372311 /nfs/dbraw/zinc/37/23/11/1282372311.db2.gz GCWRVFHSBJVQIA-CQSZACIVSA-N -1 1 370.413 0.453 10 0 FCAEMM CN(C)CC(=O)N1CCN(C(=O)c2ncc(Br)cc2[O-])CC1 ZINC001587718100 1282376021 /nfs/dbraw/zinc/37/60/21/1282376021.db2.gz IBILEIBFWUUKCV-UHFFFAOYSA-N -1 1 371.235 0.396 10 0 FCAEMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001587869538 1282385646 /nfs/dbraw/zinc/38/56/46/1282385646.db2.gz LDDOPRGQKPXZBZ-STQMWFEESA-N -1 1 360.418 0.471 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001587906142 1282386939 /nfs/dbraw/zinc/38/69/39/1282386939.db2.gz FDOLSMVLBGQFMT-ZIAGYGMSSA-N -1 1 362.430 0.277 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cccc(-n3cncn3)n2)[n-]c1=O ZINC001635629933 1282417440 /nfs/dbraw/zinc/41/74/40/1282417440.db2.gz GPTYGXUFIYZDAU-UHFFFAOYSA-N -1 1 355.358 0.832 10 0 FCAEMM O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001636048165 1282455255 /nfs/dbraw/zinc/45/52/55/1282455255.db2.gz QGBUXINGYWEMCZ-SECBINFHSA-N -1 1 357.399 0.842 10 0 FCAEMM C[C@H](Sc1nncn1C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636321287 1282485401 /nfs/dbraw/zinc/48/54/01/1282485401.db2.gz BZIMOQNNHRYFIS-QMMMGPOBSA-N -1 1 350.404 0.180 10 0 FCAEMM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322007 1282485925 /nfs/dbraw/zinc/48/59/25/1282485925.db2.gz KXYKGOPEYWCPGM-PHIMTYICSA-N -1 1 374.397 0.046 10 0 FCAEMM CC(C)(C)N1CCC[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1=O ZINC001636327179 1282486815 /nfs/dbraw/zinc/48/68/15/1282486815.db2.gz NCYFPBSTFHIYOA-NSHDSACASA-N -1 1 362.430 0.908 10 0 FCAEMM CS(=O)(=O)c1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cs1 ZINC001636322472 1282486926 /nfs/dbraw/zinc/48/69/26/1282486926.db2.gz RPLMZVGMWCCXIF-UHFFFAOYSA-N -1 1 369.424 0.650 10 0 FCAEMM O=C(NCc1nnc2n1CCNC2=O)c1c([O-])cnc2c(F)cccc21 ZINC001636858781 1282544672 /nfs/dbraw/zinc/54/46/72/1282544672.db2.gz LEKKONCHWFWRCZ-UHFFFAOYSA-N -1 1 356.317 0.344 10 0 FCAEMM CC(=O)N1C[C@@H](C(=O)N(Cc2nn[n-]n2)CC(C)C)Oc2ccccc21 ZINC001637054863 1282557281 /nfs/dbraw/zinc/55/72/81/1282557281.db2.gz VKOGQURQASNSPD-HNNXBMFYSA-N -1 1 358.402 0.998 10 0 FCAEMM CN1C(=O)C(=O)N(CC(=O)Nc2cccc([O-])c2Br)C1=O ZINC001637140644 1282567434 /nfs/dbraw/zinc/56/74/34/1282567434.db2.gz JJIKLNJEEDLVCP-UHFFFAOYSA-N -1 1 356.132 0.514 10 0 FCAEMM C/C=C\[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637873953 1282630742 /nfs/dbraw/zinc/63/07/42/1282630742.db2.gz PLXOVYCTNIQZNF-SFAKSCPVSA-N -1 1 356.400 0.289 10 0 FCAEMM CC(C)n1cnnc1CN(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001637890664 1282632844 /nfs/dbraw/zinc/63/28/44/1282632844.db2.gz NGXJKUAOWGMAOW-UHFFFAOYSA-N -1 1 361.406 0.769 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910297 1282638953 /nfs/dbraw/zinc/63/89/53/1282638953.db2.gz OIYWYQZFWSCKHV-LLVKDONJSA-N -1 1 360.374 0.535 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910297 1282638966 /nfs/dbraw/zinc/63/89/66/1282638966.db2.gz OIYWYQZFWSCKHV-LLVKDONJSA-N -1 1 360.374 0.535 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910297 1282638975 /nfs/dbraw/zinc/63/89/75/1282638975.db2.gz OIYWYQZFWSCKHV-LLVKDONJSA-N -1 1 360.374 0.535 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)co1 ZINC001638606283 1282709148 /nfs/dbraw/zinc/70/91/48/1282709148.db2.gz PZRSOSMZMGZYMP-RLSLPTNOSA-N -1 1 372.443 0.890 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(CO)(C(F)(F)F)CC1 ZINC001639843935 1282821804 /nfs/dbraw/zinc/82/18/04/1282821804.db2.gz QRENFJREGSWLNY-UHFFFAOYSA-N -1 1 351.281 0.673 10 0 FCAEMM CN1CCc2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc2C1=O ZINC001640000076 1282831148 /nfs/dbraw/zinc/83/11/48/1282831148.db2.gz RMHFQWZMLPTBRF-UHFFFAOYSA-N -1 1 354.366 0.784 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 ZINC001640681517 1282888462 /nfs/dbraw/zinc/88/84/62/1282888462.db2.gz CUZCTAQFCTXEBS-UHFFFAOYSA-N -1 1 367.423 0.933 10 0 FCAEMM CN(C)c1cccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n1 ZINC001680770869 1283439567 /nfs/dbraw/zinc/43/95/67/1283439567.db2.gz HMHILVRXNPKCGO-UHFFFAOYSA-N -1 1 358.402 0.715 10 0 FCAEMM CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001682825944 1283784269 /nfs/dbraw/zinc/78/42/69/1283784269.db2.gz NIGSUAVIIYTOBV-VXGBXAGGSA-N -1 1 360.414 0.280 10 0 FCAEMM CCCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001719091480 1287702762 /nfs/dbraw/zinc/70/27/62/1287702762.db2.gz LJJPMCMHCDYYKN-OUCADQQQSA-N -1 1 351.403 0.294 10 0 FCAEMM CC/C(C)=C/C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001702404643 1285643916 /nfs/dbraw/zinc/64/39/16/1285643916.db2.gz BITBTCRCNUAGHW-QDRNAWSFSA-N -1 1 370.413 0.447 10 0 FCAEMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001702541901 1285712824 /nfs/dbraw/zinc/71/28/24/1285712824.db2.gz WVBITYWWNJOFCW-SDDRHHMPSA-N -1 1 369.443 0.235 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)CC2CC2)[C@H](C)C1 ZINC001702779669 1285856575 /nfs/dbraw/zinc/85/65/75/1285856575.db2.gz QUBWHAUKOUXHSW-MWLCHTKSSA-N -1 1 364.402 0.521 10 0 FCAEMM CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001702780183 1285857493 /nfs/dbraw/zinc/85/74/93/1285857493.db2.gz KOJQMEUQEUEJBQ-NXEZZACHSA-N -1 1 352.391 0.521 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702835266 1285927705 /nfs/dbraw/zinc/92/77/05/1285927705.db2.gz NCTXBDFMYAAHNQ-JHJVBQTASA-N -1 1 360.414 0.280 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCn1cnc2ccccc2c1=O ZINC001593758998 1286214565 /nfs/dbraw/zinc/21/45/65/1286214565.db2.gz NEOUOEJBPKYBMX-UHFFFAOYSA-N -1 1 355.402 0.985 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493542 1286250828 /nfs/dbraw/zinc/25/08/28/1286250828.db2.gz WZBISQXBEYTQBV-GFCCVEGCSA-N -1 1 359.386 0.815 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493542 1286250832 /nfs/dbraw/zinc/25/08/32/1286250832.db2.gz WZBISQXBEYTQBV-GFCCVEGCSA-N -1 1 359.386 0.815 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)Cn1ccc(C)cc1=O ZINC001595493542 1286250837 /nfs/dbraw/zinc/25/08/37/1286250837.db2.gz WZBISQXBEYTQBV-GFCCVEGCSA-N -1 1 359.386 0.815 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(F)nc1Br ZINC001597298291 1286337909 /nfs/dbraw/zinc/33/79/09/1286337909.db2.gz LJZDIXIVOYSTRM-UHFFFAOYSA-N -1 1 371.166 0.540 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC001597704079 1286357475 /nfs/dbraw/zinc/35/74/75/1286357475.db2.gz KXLUUHBSKCKJLF-MRXNPFEDSA-N -1 1 357.410 0.726 10 0 FCAEMM COc1ccc(NC(=O)c2cnncc2[O-])c(N2CCN(C(C)=O)CC2)n1 ZINC001598442981 1286393139 /nfs/dbraw/zinc/39/31/39/1286393139.db2.gz MMKUYNXINCCCIS-UHFFFAOYSA-N -1 1 372.385 0.507 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC2(OC)CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707191614 1286495806 /nfs/dbraw/zinc/49/58/06/1286495806.db2.gz MVMYIOUIFWKIFF-QWHCGFSZSA-N -1 1 351.451 0.537 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCC2CCOCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707260411 1287115549 /nfs/dbraw/zinc/11/55/49/1287115549.db2.gz GURGFBFMCCSPMA-OCCSQVGLSA-N -1 1 351.451 0.394 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001719165460 1287818410 /nfs/dbraw/zinc/81/84/10/1287818410.db2.gz JDUWBZWJWSKSJB-NQBHXWOUSA-N -1 1 360.418 0.431 10 0 FCAEMM CCOCCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001719547523 1288175577 /nfs/dbraw/zinc/17/55/77/1288175577.db2.gz PYWQWKXDMUQWLA-UONOGXRCSA-N -1 1 365.430 0.950 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)C(=O)c1ncccc1[O-] ZINC001734816342 1288679770 /nfs/dbraw/zinc/67/97/70/1288679770.db2.gz QAOQUUXTOPMIQJ-KWCYVHTRSA-N -1 1 357.414 0.901 10 0 FCAEMM CN(CCCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001737172756 1289514637 /nfs/dbraw/zinc/51/46/37/1289514637.db2.gz JIELZWRWMMRQOT-FZKQIMNGSA-N -1 1 362.430 0.082 10 0 FCAEMM C[C@@H](CN(C)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001611066516 1289627044 /nfs/dbraw/zinc/62/70/44/1289627044.db2.gz WNLIUAZYBXYWKN-JTQLQIEISA-N -1 1 354.411 0.134 10 0 FCAEMM COc1ccc(COCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cn1 ZINC001616948438 1289805161 /nfs/dbraw/zinc/80/51/61/1289805161.db2.gz ZIJFZBIJJJNVHB-LLVKDONJSA-N -1 1 350.404 0.437 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[n-]c1Cl ZINC001617107432 1289813583 /nfs/dbraw/zinc/81/35/83/1289813583.db2.gz ITGBYTZLSATVIE-MRVPVSSYSA-N -1 1 358.782 0.673 10 0 FCAEMM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCc1nn[n-]n1 ZINC001617811659 1289866788 /nfs/dbraw/zinc/86/67/88/1289866788.db2.gz HKLYXUBEOWQOKF-NSHDSACASA-N -1 1 352.420 0.006 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001617899612 1289870510 /nfs/dbraw/zinc/87/05/10/1289870510.db2.gz BYPHQENPXNXJDF-MLGOLLRUSA-N -1 1 363.414 0.201 10 0 FCAEMM C[C@](O)(CNC(=O)CNC(=O)c1ncccc1[O-])c1ccc(F)cc1F ZINC001618680474 1289927666 /nfs/dbraw/zinc/92/76/66/1289927666.db2.gz YDKBRMJYDFHRRK-KRWDZBQOSA-N -1 1 365.336 0.819 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001623213170 1290205981 /nfs/dbraw/zinc/20/59/81/1290205981.db2.gz KOIPNWRGGXOJQC-MRVPVSSYSA-N -1 1 352.757 0.847 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001624436980 1290271996 /nfs/dbraw/zinc/27/19/96/1290271996.db2.gz DMEBLJJIQMYVSY-SECBINFHSA-N -1 1 372.447 0.737 10 0 FCAEMM CN(C)C(=O)C=CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786013 1290296040 /nfs/dbraw/zinc/29/60/40/1290296040.db2.gz NJTZHAZXVGHHNK-SZZPACECSA-N -1 1 352.757 0.842 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC001624951654 1290309456 /nfs/dbraw/zinc/30/94/56/1290309456.db2.gz MPVHZIJNZLVZPO-UHFFFAOYSA-N -1 1 368.440 0.699 10 0 FCAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001625611299 1290353358 /nfs/dbraw/zinc/35/33/58/1290353358.db2.gz FVWODAZYVCIECC-VIFPVBQESA-N -1 1 357.417 0.435 10 0 FCAEMM O=C([C@H]1Cc2cc(F)ccc2NC1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001625612200 1290356357 /nfs/dbraw/zinc/35/63/57/1290356357.db2.gz ZTXZUTVRTOSDDX-CMPLNLGQSA-N -1 1 362.390 0.766 10 0 FCAEMM COC(=O)[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(Br)cc1 ZINC001626222745 1290383046 /nfs/dbraw/zinc/38/30/46/1290383046.db2.gz DWOFRQFYRXLRHV-LBPRGKRZSA-N -1 1 368.191 0.925 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCNC(=O)CC1 ZINC001626904011 1290424440 /nfs/dbraw/zinc/42/44/40/1290424440.db2.gz WHAZLWKYKRVJCI-ZDUSSCGKSA-N -1 1 355.398 0.468 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CC[C@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001739973822 1290455781 /nfs/dbraw/zinc/45/57/81/1290455781.db2.gz LRTSMPYOYZULNM-NJSLBKSFSA-N -1 1 359.426 0.917 10 0 FCAEMM CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001627351421 1290457418 /nfs/dbraw/zinc/45/74/18/1290457418.db2.gz DJWRIQMWWYBXJC-UHFFFAOYSA-N -1 1 367.475 0.530 10 0 FCAEMM O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1cnncc1[O-] ZINC001627641364 1290475542 /nfs/dbraw/zinc/47/55/42/1290475542.db2.gz YYZZJWVFADIQIO-UHFFFAOYSA-N -1 1 368.397 0.888 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001740064798 1290476431 /nfs/dbraw/zinc/47/64/31/1290476431.db2.gz NCJYMSWJXXUQCS-UTUOFQBUSA-N -1 1 360.418 0.573 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)CCCCO ZINC001628132541 1290511086 /nfs/dbraw/zinc/51/10/86/1290511086.db2.gz HANDBYNMZANJOI-CYBMUJFWSA-N -1 1 366.462 0.927 10 0 FCAEMM O=C(NCC1CC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001740346359 1290535243 /nfs/dbraw/zinc/53/52/43/1290535243.db2.gz NDRILSGJKBEDHM-UPJWGTAASA-N -1 1 358.398 0.175 10 0 FCAEMM Cn1cc([C@@H]2C[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])CCO2)cn1 ZINC001628572793 1290541418 /nfs/dbraw/zinc/54/14/18/1290541418.db2.gz MCACVOKHAVINIC-JSGCOSHPSA-N -1 1 359.386 0.287 10 0 FCAEMM CCN(CC)C(=O)CN1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001628954092 1290565136 /nfs/dbraw/zinc/56/51/36/1290565136.db2.gz BHQBAPMQBURVQG-UHFFFAOYSA-N -1 1 367.475 0.530 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001744202630 1290574510 /nfs/dbraw/zinc/57/45/10/1290574510.db2.gz NNLLDQBGAWYJIC-MCIONIFRSA-N -1 1 369.425 0.949 10 0 FCAEMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1CCc2nncn2CC1 ZINC001629340879 1290593953 /nfs/dbraw/zinc/59/39/53/1290593953.db2.gz TWWJVPWXBQYKCB-NSHDSACASA-N -1 1 354.374 0.961 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001629873319 1290630199 /nfs/dbraw/zinc/63/01/99/1290630199.db2.gz BKZBAJBYJGOHAZ-LBPRGKRZSA-N -1 1 360.418 0.921 10 0 FCAEMM O=C(CC1(C(=O)[N-]OCCN2CCCC2=O)CCCC1)N1CCOCC1 ZINC001630753866 1290697311 /nfs/dbraw/zinc/69/73/11/1290697311.db2.gz UMCXYRNCVDGZRE-UHFFFAOYSA-N -1 1 367.446 0.466 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CCc3nn[n-]n3)C2=O)c1 ZINC001630769029 1290698336 /nfs/dbraw/zinc/69/83/36/1290698336.db2.gz YAXYEBPUQWDRHZ-AWEZNQCLSA-N -1 1 374.401 0.413 10 0 FCAEMM Cc1nn(C)c(N2CCC2)c1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001630879918 1290707146 /nfs/dbraw/zinc/70/71/46/1290707146.db2.gz WLPSJEKHQVDXOH-UHFFFAOYSA-N -1 1 369.385 0.771 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(N2CCNC2=O)cc1 ZINC001643241809 1290866958 /nfs/dbraw/zinc/86/69/58/1290866958.db2.gz QYMLXLFUOKIHNN-UHFFFAOYSA-N -1 1 369.381 0.715 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccno3)CC2)co1 ZINC001643391019 1290883854 /nfs/dbraw/zinc/88/38/54/1290883854.db2.gz KHRHVEQKPRDBOI-UHFFFAOYSA-N -1 1 354.388 0.134 10 0 FCAEMM O=C(NC[C@]12COCCN1C(=O)COC2)c1ncc2ccccc2c1[O-] ZINC001643777333 1290914618 /nfs/dbraw/zinc/91/46/18/1290914618.db2.gz GKQABSDKWDTURE-GOSISDBHSA-N -1 1 357.366 0.298 10 0 FCAEMM Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001643820153 1290917554 /nfs/dbraw/zinc/91/75/54/1290917554.db2.gz GBOGBEFEEDQKHP-UHFFFAOYSA-N -1 1 357.422 0.872 10 0 FCAEMM Cc1oc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1S(C)(=O)=O ZINC001644157501 1290944738 /nfs/dbraw/zinc/94/47/38/1290944738.db2.gz YJPYRIZPPDJPDB-UHFFFAOYSA-N -1 1 367.383 0.490 10 0 FCAEMM CCc1nn(C)c(CC)c1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644156685 1290944977 /nfs/dbraw/zinc/94/49/77/1290944977.db2.gz LPUMXFWABJCSEZ-UHFFFAOYSA-N -1 1 359.430 0.972 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1cn(CCO)nc1C1CCOCC1 ZINC001644748485 1290981777 /nfs/dbraw/zinc/98/17/77/1290981777.db2.gz LBOONXAWSHWFAD-UHFFFAOYSA-N -1 1 361.406 0.092 10 0 FCAEMM CC(=O)N[C@H](C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)C1CCCC1 ZINC001645351383 1291020914 /nfs/dbraw/zinc/02/09/14/1291020914.db2.gz OIRNEFIKLZKDRA-AWEZNQCLSA-N -1 1 350.419 0.892 10 0 FCAEMM CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CCc3nn[n-]n3)cc2C1 ZINC001645648048 1291037851 /nfs/dbraw/zinc/03/78/51/1291037851.db2.gz MSODFKZNRSCSTH-UHFFFAOYSA-N -1 1 362.394 0.718 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)[n-]c1=O ZINC001648405397 1291119750 /nfs/dbraw/zinc/11/97/50/1291119750.db2.gz BKOVTXMZNOLVTQ-CHWSQXEVSA-N -1 1 372.385 0.781 10 0 FCAEMM COCCOc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)ccn1 ZINC001650748995 1291177892 /nfs/dbraw/zinc/17/78/92/1291177892.db2.gz PVXXTYBKMIFFPS-UHFFFAOYSA-N -1 1 360.370 0.605 10 0 FCAEMM COC(=O)C12CCC(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)(CC1)C2 ZINC001650749109 1291177930 /nfs/dbraw/zinc/17/79/30/1291177930.db2.gz RFTMYAMLOQLFTK-UHFFFAOYSA-N -1 1 361.398 0.995 10 0 FCAEMM COCCOc1ncccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650748197 1291177993 /nfs/dbraw/zinc/17/79/93/1291177993.db2.gz GAJFPZCPMBKMCD-UHFFFAOYSA-N -1 1 360.370 0.605 10 0 FCAEMM CC(C)[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC001650857858 1291181231 /nfs/dbraw/zinc/18/12/31/1291181231.db2.gz KOAKGCJUINAXGE-SMDDNHRTSA-N -1 1 368.397 0.836 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001652504141 1291282748 /nfs/dbraw/zinc/28/27/48/1291282748.db2.gz GUQGKUGIGPLEKV-LBPRGKRZSA-N -1 1 371.315 0.795 10 0 FCAEMM COCCn1cc(C(=O)N2CCC[C@H]2c2ncc(OC)c(=O)[n-]2)ccc1=O ZINC001653333943 1291335942 /nfs/dbraw/zinc/33/59/42/1291335942.db2.gz UUWSHSKMXBCQAA-ZDUSSCGKSA-N -1 1 374.397 0.976 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CC(=O)NCC(F)(F)F)[n-]c1=O ZINC001653332890 1291337027 /nfs/dbraw/zinc/33/70/27/1291337027.db2.gz IMHTYCWREGPRGN-MRVPVSSYSA-N -1 1 362.308 0.923 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001662244514 1291717759 /nfs/dbraw/zinc/71/77/59/1291717759.db2.gz MTRKXGYXEXJUST-KCPJHIHWSA-N -1 1 361.402 0.261 10 0 FCAEMM COC(=O)NCCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001672687284 1292088028 /nfs/dbraw/zinc/08/80/28/1292088028.db2.gz ZJLBGXLPVSBYPM-IUCAKERBSA-N -1 1 354.329 0.583 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CCO)C1CCOCC1 ZINC001675456421 1292177685 /nfs/dbraw/zinc/17/76/85/1292177685.db2.gz GRFDZACWKUBBMX-CYBMUJFWSA-N -1 1 366.418 0.232 10 0 FCAEMM COCCN(CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)Cc1nc(=O)n(C)[n-]1 ZINC001677312969 1292231828 /nfs/dbraw/zinc/23/18/28/1292231828.db2.gz CFPGHCOWERDVRL-QLFBSQMISA-N -1 1 363.462 0.275 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@@H](Nc2ncccn2)C1 ZINC001684869261 1292346952 /nfs/dbraw/zinc/34/69/52/1292346952.db2.gz NNBCKDCGBRXQSQ-LLVKDONJSA-N -1 1 371.401 0.441 10 0 FCAEMM CSCc1n[nH]c(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001685249117 1292469087 /nfs/dbraw/zinc/46/90/87/1292469087.db2.gz YWUISTNYWSVKBD-QMMMGPOBSA-N -1 1 352.424 0.581 10 0 FCAEMM CSCc1nnc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001685249117 1292469090 /nfs/dbraw/zinc/46/90/90/1292469090.db2.gz YWUISTNYWSVKBD-QMMMGPOBSA-N -1 1 352.424 0.581 10 0 FCAEMM C[C@H](CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1)NC(N)=O ZINC001685644012 1292581125 /nfs/dbraw/zinc/58/11/25/1292581125.db2.gz LKEUSAYGIZSTPC-IJLUTSLNSA-N -1 1 363.418 0.058 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)C)C2 ZINC001686109774 1292772226 /nfs/dbraw/zinc/77/22/26/1292772226.db2.gz UDEXJXJYUHOPQU-MXWKQRLJSA-N -1 1 364.402 0.804 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c(Br)n1C ZINC000396627188 836065033 /nfs/dbraw/zinc/06/50/33/836065033.db2.gz CKGBWCVLMGWPAV-QMMMGPOBSA-N -1 1 365.253 0.438 10 0 FCAEMM C[C@]1(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)Cc2ccccc2C(=O)O1 ZINC000749321658 836357024 /nfs/dbraw/zinc/35/70/24/836357024.db2.gz MXZHWTDEHDHMON-CQSZACIVSA-N -1 1 350.356 0.319 10 0 FCAEMM C[C@]1(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)Cc2ccccc2C(=O)O1 ZINC000749321658 836357035 /nfs/dbraw/zinc/35/70/35/836357035.db2.gz MXZHWTDEHDHMON-CQSZACIVSA-N -1 1 350.356 0.319 10 0 FCAEMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000751151955 836469143 /nfs/dbraw/zinc/46/91/43/836469143.db2.gz YWWSDRDZNJXQJK-LURJTMIESA-N -1 1 362.713 0.723 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001118344792 847391010 /nfs/dbraw/zinc/39/10/10/847391010.db2.gz DVLMUCMJSISDJB-RMPHRYRLSA-N -1 1 361.364 0.959 10 0 FCAEMM CCOC(=O)N1CCC(NC(=O)CN2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001118494202 847448361 /nfs/dbraw/zinc/44/83/61/847448361.db2.gz CKCXTXLWOZUKOP-UHFFFAOYSA-N -1 1 355.435 0.910 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccn(C3CCOCC3)n2)c1 ZINC001118909654 847631558 /nfs/dbraw/zinc/63/15/58/847631558.db2.gz WYKVEJOXXHDBSP-UHFFFAOYSA-N -1 1 366.399 0.840 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001119038106 847691042 /nfs/dbraw/zinc/69/10/42/847691042.db2.gz UNAPBOMMXBMIGC-LBPRGKRZSA-N -1 1 371.381 0.274 10 0 FCAEMM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001123905527 848652840 /nfs/dbraw/zinc/65/28/40/848652840.db2.gz NZJXBYBAGNDSNO-LBPRGKRZSA-N -1 1 364.349 0.920 10 0 FCAEMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001123914625 848653865 /nfs/dbraw/zinc/65/38/65/848653865.db2.gz PAOHEVPPYOLCHP-NEPJUHHUSA-N -1 1 366.491 0.928 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](OC)C(=O)OC(C)(C)C)nc2n1 ZINC001131556269 849123398 /nfs/dbraw/zinc/12/33/98/849123398.db2.gz SLNQMBKZCUATDG-JTQLQIEISA-N -1 1 351.363 0.275 10 0 FCAEMM COc1ccc(NC(=O)[C@@]2(C)CCNC(=O)C2)cc1[N-]S(C)(=O)=O ZINC001136149612 849208531 /nfs/dbraw/zinc/20/85/31/849208531.db2.gz QZLPHKGSHHAYPQ-HNNXBMFYSA-N -1 1 355.416 0.922 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001136754490 849239854 /nfs/dbraw/zinc/23/98/54/849239854.db2.gz UFFRLGFTXYWIAW-UHFFFAOYSA-N -1 1 364.427 0.493 10 0 FCAEMM CC(C)(O)CO[N-]C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC001139896722 849351598 /nfs/dbraw/zinc/35/15/98/849351598.db2.gz ACABEPYIEOKELY-AWEZNQCLSA-N -1 1 352.435 0.836 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCNc2cc(OC)ncn2)o1 ZINC001142837676 849463788 /nfs/dbraw/zinc/46/37/88/849463788.db2.gz BVSZIRHYWKCKLT-UHFFFAOYSA-N -1 1 369.403 0.218 10 0 FCAEMM C[C@@H]1CCN(C(=O)C2=CS(=O)(=O)CCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001148929580 849623460 /nfs/dbraw/zinc/62/34/60/849623460.db2.gz RNHKDJVBFNSASA-KOLCDFICSA-N -1 1 368.377 0.994 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C2CCN(C(=O)OC)CC2)n[n-]1 ZINC001166127277 850462117 /nfs/dbraw/zinc/46/21/17/850462117.db2.gz PZCBBLQCZOIDIQ-VIFPVBQESA-N -1 1 353.379 0.637 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2CCN(C(=O)OC)CC2)[n-]1 ZINC001166127277 850462123 /nfs/dbraw/zinc/46/21/23/850462123.db2.gz PZCBBLQCZOIDIQ-VIFPVBQESA-N -1 1 353.379 0.637 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2CCN(C(=O)OC)CC2)n1 ZINC001166127277 850462130 /nfs/dbraw/zinc/46/21/30/850462130.db2.gz PZCBBLQCZOIDIQ-VIFPVBQESA-N -1 1 353.379 0.637 10 0 FCAEMM CNS(=O)(=O)c1cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)ccc1F ZINC001176593012 850793022 /nfs/dbraw/zinc/79/30/22/850793022.db2.gz AKHJODCGSDRTNQ-UHFFFAOYSA-N -1 1 370.410 0.545 10 0 FCAEMM Cn1ncc(C(=O)NC2(c3nn[n-]n3)CCC2)c1I ZINC001176726235 850800463 /nfs/dbraw/zinc/80/04/63/850800463.db2.gz ORCXWIIZHBBOJL-UHFFFAOYSA-N -1 1 373.158 0.347 10 0 FCAEMM Cn1[n-]c(CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1=O ZINC001176952500 850814748 /nfs/dbraw/zinc/81/47/48/850814748.db2.gz PXAIISCXIUZIIE-GZMMTYOYSA-N -1 1 354.354 0.050 10 0 FCAEMM COC[C@@H](NC(=O)c1snc(OC)c1Br)c1nn[n-]n1 ZINC001177829481 850871364 /nfs/dbraw/zinc/87/13/64/850871364.db2.gz YVFXEXADWOIJOC-SCSAIBSYSA-N -1 1 363.197 0.545 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2([C@H]3CCCCO3)CCOCC2)n1 ZINC001182525860 851177451 /nfs/dbraw/zinc/17/74/51/851177451.db2.gz UFUKALRQQLCBAR-SNVBAGLBSA-N -1 1 358.420 0.513 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2([C@H]3CCCCO3)CCOCC2)[n-]1 ZINC001182525860 851177460 /nfs/dbraw/zinc/17/74/60/851177460.db2.gz UFUKALRQQLCBAR-SNVBAGLBSA-N -1 1 358.420 0.513 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)n1 ZINC001182523695 851177835 /nfs/dbraw/zinc/17/78/35/851177835.db2.gz CBGMELKCJDJDMI-JTQLQIEISA-N -1 1 358.420 0.513 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)[n-]1 ZINC001182523695 851177840 /nfs/dbraw/zinc/17/78/40/851177840.db2.gz CBGMELKCJDJDMI-JTQLQIEISA-N -1 1 358.420 0.513 10 0 FCAEMM O=C(NCc1nnc(C2CC2)s1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001251895406 857765423 /nfs/dbraw/zinc/76/54/23/857765423.db2.gz HVHYACPUBAGJJV-UHFFFAOYSA-N -1 1 362.415 0.983 10 0 FCAEMM CSC[C@@H]1CCCN1c1nnc(-c2nnn[n-]2)n1C[C@H]1CCOC1 ZINC001263573548 859179380 /nfs/dbraw/zinc/17/93/80/859179380.db2.gz MSRTYPJCVKWANR-MNOVXSKESA-N -1 1 350.452 0.827 10 0 FCAEMM CSC[C@@H]1CCCN1c1nnc(-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001263573548 859179384 /nfs/dbraw/zinc/17/93/84/859179384.db2.gz MSRTYPJCVKWANR-MNOVXSKESA-N -1 1 350.452 0.827 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001282354052 864213267 /nfs/dbraw/zinc/21/32/67/864213267.db2.gz XJVTXIULUDIXSH-TUAOUCFPSA-N -1 1 369.443 0.187 10 0 FCAEMM CCS(=O)(=O)CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001282475478 864288788 /nfs/dbraw/zinc/28/87/88/864288788.db2.gz XSSRQBBLMQXMHU-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM COC(=O)[C@@]1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCOC1 ZINC001289876969 865302349 /nfs/dbraw/zinc/30/23/49/865302349.db2.gz NCTVKSFHPQNMFR-MRXNPFEDSA-N -1 1 369.443 0.841 10 0 FCAEMM COC(=O)[C@]1(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCOC1 ZINC001289876967 865302545 /nfs/dbraw/zinc/30/25/45/865302545.db2.gz NCTVKSFHPQNMFR-INIZCTEOSA-N -1 1 369.443 0.841 10 0 FCAEMM CC(C)CC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001290571592 865447673 /nfs/dbraw/zinc/44/76/73/865447673.db2.gz PNZPKBAESLSKFH-OLZOCXBDSA-N -1 1 350.419 0.078 10 0 FCAEMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001290608270 865459487 /nfs/dbraw/zinc/45/94/87/865459487.db2.gz CXXMHKMQXBFCKV-UTUOFQBUSA-N -1 1 369.443 0.187 10 0 FCAEMM C=CC(=O)NCCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001296141687 865941838 /nfs/dbraw/zinc/94/18/38/865941838.db2.gz MWJCTASLXSCJKF-CYBMUJFWSA-N -1 1 352.757 0.890 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCOC[C@H]1c1nn[n-]n1 ZINC001302136622 866311326 /nfs/dbraw/zinc/31/13/26/866311326.db2.gz FKFWBJTYWJFCMF-UTLUCORTSA-N -1 1 365.312 0.084 10 0 FCAEMM COCc1nc(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n[nH]1 ZINC001351606227 866916757 /nfs/dbraw/zinc/91/67/57/866916757.db2.gz WGJXUOOUYDSZHG-UHFFFAOYSA-N -1 1 361.280 0.653 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CC(=O)N(C)C(C)C ZINC001316728827 867421291 /nfs/dbraw/zinc/42/12/91/867421291.db2.gz DBNUCPQLRGAQIW-QWHCGFSZSA-N -1 1 351.451 0.873 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(N3CCOC3=O)ccc2F)n1 ZINC001318836840 867760238 /nfs/dbraw/zinc/76/02/38/867760238.db2.gz PYKHPCZQDOWSQL-UHFFFAOYSA-N -1 1 369.334 0.556 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(N3CCOC3=O)ccc2F)[n-]1 ZINC001318836840 867760249 /nfs/dbraw/zinc/76/02/49/867760249.db2.gz PYKHPCZQDOWSQL-UHFFFAOYSA-N -1 1 369.334 0.556 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(=O)[n-]1 ZINC001318892396 867772837 /nfs/dbraw/zinc/77/28/37/867772837.db2.gz GJQMKVUTUYKMMK-SNVBAGLBSA-N -1 1 374.488 0.295 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCCC3)o1 ZINC001320217257 868109615 /nfs/dbraw/zinc/10/96/15/868109615.db2.gz BMYCUBGNBRXRKM-UHFFFAOYSA-N -1 1 353.404 0.088 10 0 FCAEMM COc1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cnc1Cl ZINC001320449234 868171979 /nfs/dbraw/zinc/17/19/79/868171979.db2.gz AHLUUQSASNJXCG-UHFFFAOYSA-N -1 1 363.823 0.525 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCC1CS(=O)(=O)C1 ZINC001343450965 870433559 /nfs/dbraw/zinc/43/35/59/870433559.db2.gz JLPCADOXGMJPIC-UHFFFAOYSA-N -1 1 352.416 0.145 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001329077872 871810961 /nfs/dbraw/zinc/81/09/61/871810961.db2.gz VSCZFEAOUMJAFW-KLHWPWHYSA-N -1 1 361.364 0.817 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)CCOC1 ZINC001329209535 871887368 /nfs/dbraw/zinc/88/73/68/871887368.db2.gz ZTEILGYYQVUPRM-WBVHZDCISA-N -1 1 356.369 0.860 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1C(F)(F)F ZINC001329755629 872232894 /nfs/dbraw/zinc/23/28/94/872232894.db2.gz VOIHJGZJWQQPQH-SSDOTTSWSA-N -1 1 361.367 0.152 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(C)c(S(C)(=O)=O)c3)nc2n1 ZINC001330104177 872465791 /nfs/dbraw/zinc/46/57/91/872465791.db2.gz LKXYZPCNAQJEJB-UHFFFAOYSA-N -1 1 361.383 0.690 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccnc(N(C)C)c3C2)co1 ZINC001348032033 872570649 /nfs/dbraw/zinc/57/06/49/872570649.db2.gz DWLJCMJGAVICAP-UHFFFAOYSA-N -1 1 364.427 0.847 10 0 FCAEMM Cc1sc(=O)n(CCC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1C ZINC001348167795 872614188 /nfs/dbraw/zinc/61/41/88/872614188.db2.gz YBXNHNFUOBWUNO-LBPRGKRZSA-N -1 1 350.448 0.911 10 0 FCAEMM COC[C@]1(C(=O)[O-])CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC001332309624 873448942 /nfs/dbraw/zinc/44/89/42/873448942.db2.gz RJBKVDWSXJUFHJ-INIZCTEOSA-N -1 1 372.443 0.987 10 0 FCAEMM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)[C@H](C(=O)[O-])C1 ZINC001332473290 873523777 /nfs/dbraw/zinc/52/37/77/873523777.db2.gz BGSDUALBHBTGEO-MQYQWHSLSA-N -1 1 357.476 0.840 10 0 FCAEMM CSC[C@@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)[O-] ZINC001332605620 873577364 /nfs/dbraw/zinc/57/73/64/873577364.db2.gz CUBVGOBTWUHEQG-CYBMUJFWSA-N -1 1 367.475 0.449 10 0 FCAEMM CC(C)CNC(=O)C[N-]S(=O)(=O)c1ncccc1Br ZINC001333146327 873823073 /nfs/dbraw/zinc/82/30/73/873823073.db2.gz JHEPIJCVIGGJAR-UHFFFAOYSA-N -1 1 350.238 0.895 10 0 FCAEMM COC(=O)C1CC2(C1)CN(CC(=O)NCc1cccs1)C[C@H]2C(=O)[O-] ZINC001333163349 873829983 /nfs/dbraw/zinc/82/99/83/873829983.db2.gz QTMFNPGXGVAMAX-XKZABGERSA-N -1 1 366.439 0.950 10 0 FCAEMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000293393623 214170149 /nfs/dbraw/zinc/17/01/49/214170149.db2.gz HAECYGYVFPTVFZ-QMMMGPOBSA-N -1 1 369.369 0.521 10 0 FCAEMM COCCCOc1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000294263746 214234319 /nfs/dbraw/zinc/23/43/19/214234319.db2.gz OAINVKCCFHDRQA-CYBMUJFWSA-N -1 1 361.402 0.928 10 0 FCAEMM O=c1nc([C@@H]2CCCN(S(=O)(=O)CCOCc3ccccc3)C2)[nH][n-]1 ZINC000295969146 214326581 /nfs/dbraw/zinc/32/65/81/214326581.db2.gz KJLZNZDOJLTKBW-CQSZACIVSA-N -1 1 366.443 0.824 10 0 FCAEMM CN(C)c1noc(C[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 ZINC000188049610 529818736 /nfs/dbraw/zinc/81/87/36/529818736.db2.gz ZUFAWNVKICUKBJ-BONVTDFDSA-N -1 1 356.448 0.950 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO ZINC000930999838 674085600 /nfs/dbraw/zinc/08/56/00/674085600.db2.gz IWUUXMLDKRQFQD-VWYCJHECSA-N -1 1 370.368 0.193 10 0 FCAEMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cn1 ZINC000285100964 213282381 /nfs/dbraw/zinc/28/23/81/213282381.db2.gz NMDXRJJSPDWUOV-UHFFFAOYSA-N -1 1 357.417 0.672 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284583303 213174713 /nfs/dbraw/zinc/17/47/13/213174713.db2.gz RVQOHDBJTJPDTB-LSDHHAIUSA-N -1 1 359.430 0.113 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CCO[C@H](CO)C1 ZINC000229972453 209341669 /nfs/dbraw/zinc/34/16/69/209341669.db2.gz IIGYGYFHCVYNEE-VIFPVBQESA-N -1 1 363.151 0.830 10 0 FCAEMM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000276872066 212300899 /nfs/dbraw/zinc/30/08/99/212300899.db2.gz BESDPHXLZUPAQF-QMMMGPOBSA-N -1 1 357.215 0.979 10 0 FCAEMM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000372758565 216941561 /nfs/dbraw/zinc/94/15/61/216941561.db2.gz UHTVSXCCBGPPJN-GFCCVEGCSA-N -1 1 365.411 0.195 10 0 FCAEMM C[C@@H]1Cc2cc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)ccc2O1 ZINC000275396046 212019194 /nfs/dbraw/zinc/01/91/94/212019194.db2.gz YQBKMBPNBQVLSH-GFCCVEGCSA-N -1 1 354.428 0.791 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CC(=O)N2CCOC(C)(C)C2)C1 ZINC000931568113 674120177 /nfs/dbraw/zinc/12/01/77/674120177.db2.gz QWHVHNYNEOPSOZ-CQSZACIVSA-N -1 1 351.369 0.767 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)co1 ZINC000373930963 217076133 /nfs/dbraw/zinc/07/61/33/217076133.db2.gz VBAWZLKGLKBCBN-WQGACYEGSA-N -1 1 372.443 0.986 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424488461 247236361 /nfs/dbraw/zinc/23/63/61/247236361.db2.gz KRUMMUYXWDAWPW-ZNMIVQPWSA-N -1 1 371.478 0.465 10 0 FCAEMM COC[C@@H](CNC(=O)c1ncc(C)cc1[O-])NC(=O)c1ncc(C)cc1O ZINC000438348670 248084998 /nfs/dbraw/zinc/08/49/98/248084998.db2.gz LKKAAXARDIAJFL-GFCCVEGCSA-N -1 1 374.397 0.679 10 0 FCAEMM CN1CCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000271286889 211372910 /nfs/dbraw/zinc/37/29/10/211372910.db2.gz BCYFRAMJWYGTSS-AWEZNQCLSA-N -1 1 369.443 0.446 10 0 FCAEMM COCCS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470981687 250084868 /nfs/dbraw/zinc/08/48/68/250084868.db2.gz GYVVIGYCYKXWKA-UHFFFAOYSA-N -1 1 351.388 0.039 10 0 FCAEMM CO[C@@H]1CC[C@@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000471698332 250115270 /nfs/dbraw/zinc/11/52/70/250115270.db2.gz UQADVQPUCCDVAE-ZIAGYGMSSA-N -1 1 364.446 0.944 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000473290967 250215188 /nfs/dbraw/zinc/21/51/88/250215188.db2.gz BMIPLAHVLNOCAI-SECBINFHSA-N -1 1 356.342 0.968 10 0 FCAEMM CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000482105939 250379117 /nfs/dbraw/zinc/37/91/17/250379117.db2.gz RWEAEPHEKCKJQP-UHFFFAOYSA-N -1 1 362.408 0.741 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178682939 209058847 /nfs/dbraw/zinc/05/88/47/209058847.db2.gz FAUKHWZOUWQFQJ-HNAYVOBHSA-N -1 1 352.394 0.956 10 0 FCAEMM O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000156190836 229189990 /nfs/dbraw/zinc/18/99/90/229189990.db2.gz JZEGKQHAHQJSTE-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)cn1 ZINC000278860330 488900362 /nfs/dbraw/zinc/90/03/62/488900362.db2.gz LWHPSQZMEBYXSM-LLVKDONJSA-N -1 1 367.353 0.845 10 0 FCAEMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NN2CC(=O)[N-]C2=O)C1 ZINC000044946644 487926831 /nfs/dbraw/zinc/92/68/31/487926831.db2.gz IEAKKLVOWHMKJW-GFCCVEGCSA-N -1 1 362.361 0.190 10 0 FCAEMM CC(C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)C(N)=O ZINC000057257785 488268838 /nfs/dbraw/zinc/26/88/38/488268838.db2.gz PLGFSTQLNRFSFV-UHFFFAOYSA-N -1 1 362.411 0.876 10 0 FCAEMM C[C@@H](CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000183426196 488392499 /nfs/dbraw/zinc/39/24/99/488392499.db2.gz WMKLGELQSMTKQA-VIFPVBQESA-N -1 1 357.823 0.889 10 0 FCAEMM Cc1nccc(N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000185364591 488401008 /nfs/dbraw/zinc/40/10/08/488401008.db2.gz HVTMNYLHAZZBTO-UHFFFAOYSA-N -1 1 350.382 0.984 10 0 FCAEMM C[C@H](NC(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)c1nn[n-]n1 ZINC000091452590 488464393 /nfs/dbraw/zinc/46/43/93/488464393.db2.gz AWNMEAHBDQEPSL-QMMMGPOBSA-N -1 1 359.321 0.904 10 0 FCAEMM O=C(NCCCn1nc2n(c1=O)CCCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000107324130 488517472 /nfs/dbraw/zinc/51/74/72/488517472.db2.gz IVGBIMOPWUCUER-UHFFFAOYSA-N -1 1 368.397 0.438 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCN1CCOC1=O ZINC000264073476 488646471 /nfs/dbraw/zinc/64/64/71/488646471.db2.gz UIKRLWOUOPOAFT-UHFFFAOYSA-N -1 1 361.402 0.943 10 0 FCAEMM C[C@H](CO[N-]C(=O)c1cccn2c(=O)[nH]nc12)NC(=O)OC(C)(C)C ZINC000273422403 488649988 /nfs/dbraw/zinc/64/99/88/488649988.db2.gz DPMRAUABRDNZEL-SECBINFHSA-N -1 1 351.363 0.597 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CNC(=O)c1cccnc1 ZINC000133901201 488662727 /nfs/dbraw/zinc/66/27/27/488662727.db2.gz VSNQGUGKCCVPFN-UHFFFAOYSA-N -1 1 354.370 0.081 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000134193273 488665774 /nfs/dbraw/zinc/66/57/74/488665774.db2.gz PGMDWZGSUHHXCT-JTQLQIEISA-N -1 1 367.431 0.647 10 0 FCAEMM COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274890930 488740942 /nfs/dbraw/zinc/74/09/42/488740942.db2.gz FZTRCBRCQKZGHY-LBPRGKRZSA-N -1 1 367.383 0.479 10 0 FCAEMM CCOC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274986368 488750988 /nfs/dbraw/zinc/75/09/88/488750988.db2.gz YNTYPUPOSFXALJ-CYBMUJFWSA-N -1 1 367.383 0.561 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000277906182 488792357 /nfs/dbraw/zinc/79/23/57/488792357.db2.gz MFOYZNOTEGXDCI-KCJUWKMLSA-N -1 1 370.349 0.963 10 0 FCAEMM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3cncc([O-])c3)CC2)n1 ZINC000172715953 488837228 /nfs/dbraw/zinc/83/72/28/488837228.db2.gz LVOJGYMHEDVTEZ-UHFFFAOYSA-N -1 1 353.386 0.735 10 0 FCAEMM Cn1ccc(N2CCC[C@@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)n1 ZINC000173260232 488841911 /nfs/dbraw/zinc/84/19/11/488841911.db2.gz CGEYJYCQDJYOBD-CYBMUJFWSA-N -1 1 366.381 0.582 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)o1 ZINC000280552583 489017074 /nfs/dbraw/zinc/01/70/74/489017074.db2.gz NUIYLXDMTBLOLK-HNNXBMFYSA-N -1 1 358.416 0.598 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365013490 489029454 /nfs/dbraw/zinc/02/94/54/489029454.db2.gz JGFXOJQZJWGAEW-GXTWGEPZSA-N -1 1 372.385 0.110 10 0 FCAEMM COC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289492939 489071165 /nfs/dbraw/zinc/07/11/65/489071165.db2.gz SSGMJWBQNULNMV-LLVKDONJSA-N -1 1 359.386 0.703 10 0 FCAEMM O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289590450 489079427 /nfs/dbraw/zinc/07/94/27/489079427.db2.gz JIMNKSPFEBSSPR-RYUDHWBXSA-N -1 1 373.388 0.996 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000365795673 489114913 /nfs/dbraw/zinc/11/49/13/489114913.db2.gz OCKAXZIEMQMBPS-UHFFFAOYSA-N -1 1 361.851 1.000 10 0 FCAEMM O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282852268 489194298 /nfs/dbraw/zinc/19/42/98/489194298.db2.gz GJLYMUKKADYDFO-LBPRGKRZSA-N -1 1 371.376 0.897 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283009441 489206145 /nfs/dbraw/zinc/20/61/45/489206145.db2.gz WIPJPUROXYTOFZ-MNOVXSKESA-N -1 1 353.448 0.506 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000283013072 489206843 /nfs/dbraw/zinc/20/68/43/489206843.db2.gz WPZYOJPWDQIQJK-GFCCVEGCSA-N -1 1 364.427 0.911 10 0 FCAEMM COc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1-n1cnnn1 ZINC000283018745 489207220 /nfs/dbraw/zinc/20/72/20/489207220.db2.gz XGLOOORMZKTKNC-NSHDSACASA-N -1 1 370.373 0.102 10 0 FCAEMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000369716008 489267501 /nfs/dbraw/zinc/26/75/01/489267501.db2.gz YYDGSBQFHIMYPM-JOCQHMNTSA-N -1 1 363.439 0.617 10 0 FCAEMM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000370035724 489307719 /nfs/dbraw/zinc/30/77/19/489307719.db2.gz GLHRLDFDKMXQNS-MGNBDDOMSA-N -1 1 369.381 0.373 10 0 FCAEMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000414387229 489497765 /nfs/dbraw/zinc/49/77/65/489497765.db2.gz YUXZKKSJPOJHIV-UHFFFAOYSA-N -1 1 365.477 0.803 10 0 FCAEMM COc1ccccc1C(=O)N[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)C(C)C ZINC000430315374 489731041 /nfs/dbraw/zinc/73/10/41/489731041.db2.gz DTDFHRJAKZIRIA-CYBMUJFWSA-N -1 1 358.402 0.768 10 0 FCAEMM CC(C)[C@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000474378811 489758640 /nfs/dbraw/zinc/75/86/40/489758640.db2.gz PEXIZTMXMVCRCT-INIZCTEOSA-N -1 1 372.443 0.759 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000476535762 489898408 /nfs/dbraw/zinc/89/84/08/489898408.db2.gz PEFQELXDWOOFQA-JTNHKYCSSA-N -1 1 365.473 0.686 10 0 FCAEMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000476563487 489900083 /nfs/dbraw/zinc/90/00/83/489900083.db2.gz REPUUACLNFVHJF-OUAUKWLOSA-N -1 1 357.432 0.550 10 0 FCAEMM CCn1c(SCC(=O)NC2(c3nn[n-]n3)CC2)nnc1-c1ccco1 ZINC000477022160 489931788 /nfs/dbraw/zinc/93/17/88/489931788.db2.gz CULLGJUAVSROFD-UHFFFAOYSA-N -1 1 360.403 0.969 10 0 FCAEMM O=C(CNC(=O)c1ccc(Br)cc1)NC1(c2nn[n-]n2)CC1 ZINC000477027032 489932355 /nfs/dbraw/zinc/93/23/55/489932355.db2.gz AZIRTZDCKARTER-UHFFFAOYSA-N -1 1 365.191 0.498 10 0 FCAEMM Cc1ccc(-n2cnnc2SCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477028435 489933517 /nfs/dbraw/zinc/93/35/17/489933517.db2.gz FKQXSIJGAKVHIF-UHFFFAOYSA-N -1 1 356.415 0.986 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000477372542 489960555 /nfs/dbraw/zinc/96/05/55/489960555.db2.gz DNUCPFKGDUKMEF-LLVKDONJSA-N -1 1 358.354 0.774 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000377884132 489972793 /nfs/dbraw/zinc/97/27/93/489972793.db2.gz MMSXPWCRBKQHQP-LBPRGKRZSA-N -1 1 356.448 1.025 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000464892503 490073138 /nfs/dbraw/zinc/07/31/38/490073138.db2.gz LCQBDPHHJXPBMD-PWSUYJOCSA-N -1 1 364.427 0.371 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2NS(C)(=O)=O)sc1C ZINC000532931247 490141565 /nfs/dbraw/zinc/14/15/65/490141565.db2.gz HULJRBHVPXPYGY-GHMZBOCLSA-N -1 1 367.518 0.756 10 0 FCAEMM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000447084037 490187463 /nfs/dbraw/zinc/18/74/63/490187463.db2.gz CTPUGWIBZRAUJH-UHFFFAOYSA-N -1 1 372.406 0.809 10 0 FCAEMM O=C(NCCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000507221342 490189855 /nfs/dbraw/zinc/18/98/55/490189855.db2.gz IKQYVCNGHODYHC-UHFFFAOYSA-N -1 1 362.345 0.949 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)co1 ZINC000407994563 490199232 /nfs/dbraw/zinc/19/92/32/490199232.db2.gz BXPPTZDBVKHAPF-LBPRGKRZSA-N -1 1 369.443 0.662 10 0 FCAEMM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408061642 490235033 /nfs/dbraw/zinc/23/50/33/490235033.db2.gz KXSVQCONBWUIOL-CHWSQXEVSA-N -1 1 358.485 0.995 10 0 FCAEMM COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547556861 490317128 /nfs/dbraw/zinc/31/71/28/490317128.db2.gz DBXSYUDPBRMIOA-SNVBAGLBSA-N -1 1 371.346 0.310 10 0 FCAEMM COc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc(Cl)c1[O-] ZINC000408449217 490339925 /nfs/dbraw/zinc/33/99/25/490339925.db2.gz FBOPQJQKZGTQNJ-HNNXBMFYSA-N -1 1 353.762 0.868 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000547871553 490370962 /nfs/dbraw/zinc/37/09/62/490370962.db2.gz PINZGBVSLCLZIF-LBPRGKRZSA-N -1 1 371.346 0.310 10 0 FCAEMM COc1ccc(OC)c(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000547888779 490377693 /nfs/dbraw/zinc/37/76/93/490377693.db2.gz LUWXUMJQOQSTHU-ZDUSSCGKSA-N -1 1 372.443 0.921 10 0 FCAEMM COc1ccc(NC(=O)[C@H](O)Cc2cnn(C)c2)cc1[N-]S(C)(=O)=O ZINC000468399403 490398147 /nfs/dbraw/zinc/39/81/47/490398147.db2.gz KHQUDVGIAQYMJK-CYBMUJFWSA-N -1 1 368.415 0.342 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000499252104 490403171 /nfs/dbraw/zinc/40/31/71/490403171.db2.gz FOEBGEFKRKNWCT-DZGCQCFKSA-N -1 1 367.413 0.842 10 0 FCAEMM CO[C@H](C)c1nc(=NCCS(=O)(=O)NC[C@@H]2CCCCO2)s[n-]1 ZINC000509751661 490460435 /nfs/dbraw/zinc/46/04/35/490460435.db2.gz OUFUJJRVNDQXJR-MNOVXSKESA-N -1 1 364.493 0.568 10 0 FCAEMM CO[C@@H](C)c1nc(=NCCS(=O)(=O)NC[C@H]2CCCCO2)s[n-]1 ZINC000509751665 490461058 /nfs/dbraw/zinc/46/10/58/490461058.db2.gz OUFUJJRVNDQXJR-WDEREUQCSA-N -1 1 364.493 0.568 10 0 FCAEMM CO[C@@H](C)c1nc(=NCCS(=O)(=O)NC[C@@H]2CCCCO2)s[n-]1 ZINC000509751663 490461233 /nfs/dbraw/zinc/46/12/33/490461233.db2.gz OUFUJJRVNDQXJR-QWRGUYRKSA-N -1 1 364.493 0.568 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000523409130 490461290 /nfs/dbraw/zinc/46/12/90/490461290.db2.gz IAZXXXIRYMPWQM-UHFFFAOYSA-N -1 1 351.388 0.830 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)[n-]1 ZINC000523409130 490461295 /nfs/dbraw/zinc/46/12/95/490461295.db2.gz IAZXXXIRYMPWQM-UHFFFAOYSA-N -1 1 351.388 0.830 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2OCCOC)co1 ZINC000535161501 490463001 /nfs/dbraw/zinc/46/30/01/490463001.db2.gz IKIFGRDFUDQQQR-UHFFFAOYSA-N -1 1 355.372 0.860 10 0 FCAEMM CC(C)(CO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000564831819 491329377 /nfs/dbraw/zinc/32/93/77/491329377.db2.gz FWGZBWOJMCOURR-UHFFFAOYSA-N -1 1 358.416 0.370 10 0 FCAEMM COC(=O)Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000548563360 490506713 /nfs/dbraw/zinc/50/67/13/490506713.db2.gz AZLFVCKKIIFJIX-UHFFFAOYSA-N -1 1 370.427 0.183 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000524039369 490514009 /nfs/dbraw/zinc/51/40/09/490514009.db2.gz RYQFCCKWTJWMHI-UHFFFAOYSA-N -1 1 351.370 0.945 10 0 FCAEMM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000500569390 490536180 /nfs/dbraw/zinc/53/61/80/490536180.db2.gz MPEMIBJSCVYWHL-SECBINFHSA-N -1 1 351.388 0.274 10 0 FCAEMM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000500569390 490536185 /nfs/dbraw/zinc/53/61/85/490536185.db2.gz MPEMIBJSCVYWHL-SECBINFHSA-N -1 1 351.388 0.274 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC[C@H](CO)Cc3cnn(C)c3)cnc2n1 ZINC000556808211 491338080 /nfs/dbraw/zinc/33/80/80/491338080.db2.gz XTPFPXGVIYVRDD-CYBMUJFWSA-N -1 1 355.398 0.958 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)NC[C@H](CO)Cc3cnn(C)c3)c[n-]c2n1 ZINC000556808211 491338083 /nfs/dbraw/zinc/33/80/83/491338083.db2.gz XTPFPXGVIYVRDD-CYBMUJFWSA-N -1 1 355.398 0.958 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC[C@@H](CO)Cc3cnn(C)c3)cnc2n1 ZINC000556808212 491338140 /nfs/dbraw/zinc/33/81/40/491338140.db2.gz XTPFPXGVIYVRDD-ZDUSSCGKSA-N -1 1 355.398 0.958 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)NC[C@@H](CO)Cc3cnn(C)c3)c[n-]c2n1 ZINC000556808212 491338143 /nfs/dbraw/zinc/33/81/43/491338143.db2.gz XTPFPXGVIYVRDD-ZDUSSCGKSA-N -1 1 355.398 0.958 10 0 FCAEMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1 ZINC000538131818 490715732 /nfs/dbraw/zinc/71/57/32/490715732.db2.gz RIUFKIDWRRWZKU-UHFFFAOYSA-N -1 1 365.459 0.984 10 0 FCAEMM O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538226468 490720647 /nfs/dbraw/zinc/72/06/47/490720647.db2.gz SGYCRCGPACDUKJ-GFCCVEGCSA-N -1 1 356.365 0.998 10 0 FCAEMM CS(=O)(=O)N1CCC(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000513860572 490752339 /nfs/dbraw/zinc/75/23/39/490752339.db2.gz ZLCKTUTXWCKCMN-UHFFFAOYSA-N -1 1 364.427 0.325 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O)c1ccc(F)cc1 ZINC000528337104 490789337 /nfs/dbraw/zinc/78/93/37/490789337.db2.gz HQRBDRMQIXRNEE-KGLIPLIRSA-N -1 1 372.418 0.969 10 0 FCAEMM O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540423082 490821691 /nfs/dbraw/zinc/82/16/91/490821691.db2.gz INYXSMBBWIHTFI-NSHDSACASA-N -1 1 354.370 0.592 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)on1 ZINC000541310473 490857731 /nfs/dbraw/zinc/85/77/31/490857731.db2.gz TVMFQHZHLVSGIE-AWEZNQCLSA-N -1 1 350.400 0.993 10 0 FCAEMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000541495273 490863876 /nfs/dbraw/zinc/86/38/76/490863876.db2.gz RNQMGWQYIDPBRX-LLVKDONJSA-N -1 1 355.416 0.472 10 0 FCAEMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000531655550 490969507 /nfs/dbraw/zinc/96/95/07/490969507.db2.gz BBHRLLJEJXUEBU-QMMMGPOBSA-N -1 1 357.413 0.747 10 0 FCAEMM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000613249059 491974530 /nfs/dbraw/zinc/97/45/30/491974530.db2.gz ABFOWYJREDFXAT-VIFPVBQESA-N -1 1 368.394 0.360 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C[C@H]1C(=O)[O-] ZINC000565596671 491387934 /nfs/dbraw/zinc/38/79/34/491387934.db2.gz GMIKAODDIABHRQ-DZGCQCFKSA-N -1 1 351.447 0.642 10 0 FCAEMM CC[C@@](C)(CO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000566447478 491444647 /nfs/dbraw/zinc/44/46/47/491444647.db2.gz VLRIOQMHHSIWCU-INIZCTEOSA-N -1 1 372.443 0.760 10 0 FCAEMM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3cc(C)on3)C2=O)n(C)n1 ZINC000560038751 491517886 /nfs/dbraw/zinc/51/78/86/491517886.db2.gz CLUULQKZNSKRFA-GFCCVEGCSA-N -1 1 353.404 0.250 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000561999298 491645601 /nfs/dbraw/zinc/64/56/01/491645601.db2.gz XLBYCBASRBJQAE-VIFPVBQESA-N -1 1 363.399 0.642 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000582846389 491829198 /nfs/dbraw/zinc/82/91/98/491829198.db2.gz ZWTKIZTWSLUAGY-KFWWJZLASA-N -1 1 369.462 0.029 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1)c1ccnn1C ZINC000592089893 491831314 /nfs/dbraw/zinc/83/13/14/491831314.db2.gz CHBZQHQIBVPSSG-CYBMUJFWSA-N -1 1 357.363 0.760 10 0 FCAEMM Cc1nc(C(=O)NC2(CC(=O)[O-])CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000584058457 491857592 /nfs/dbraw/zinc/85/75/92/491857592.db2.gz YFQUJTFRWVSQEE-UHFFFAOYSA-N -1 1 359.268 0.450 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)o1 ZINC000594847347 491865913 /nfs/dbraw/zinc/86/59/13/491865913.db2.gz DIVSIDSFSRBHPN-RKDXNWHRSA-N -1 1 351.402 0.310 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000601362604 491908946 /nfs/dbraw/zinc/90/89/46/491908946.db2.gz WVBCSNBVBAKRGU-HUUCEWRRSA-N -1 1 356.444 0.541 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC000601388229 491911531 /nfs/dbraw/zinc/91/15/31/491911531.db2.gz PQNAXXJLNJIEDJ-GFCCVEGCSA-N -1 1 356.375 0.414 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000595337290 491921457 /nfs/dbraw/zinc/92/14/57/491921457.db2.gz VNOKSCUENQNIPD-KBPBESRZSA-N -1 1 355.428 0.781 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000601465626 491923364 /nfs/dbraw/zinc/92/33/64/491923364.db2.gz WQODHWNDZJUPSB-GFCCVEGCSA-N -1 1 352.412 0.447 10 0 FCAEMM COC[C@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000613020779 491962735 /nfs/dbraw/zinc/96/27/35/491962735.db2.gz FSLOTLMGCPLSAA-AWEZNQCLSA-N -1 1 374.415 0.013 10 0 FCAEMM Cn1ncc2c1ncn(CC(=O)Nc1ccc(-c3cc(=O)[nH][n-]3)cc1)c2=O ZINC000613668149 491990662 /nfs/dbraw/zinc/99/06/62/491990662.db2.gz WKJNKHUEMZCBON-UHFFFAOYSA-N -1 1 365.353 0.864 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2)n1 ZINC000597583341 492049399 /nfs/dbraw/zinc/04/93/99/492049399.db2.gz UUGFTBMCXPIVMZ-LBPRGKRZSA-N -1 1 372.385 0.288 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266410 492083310 /nfs/dbraw/zinc/08/33/10/492083310.db2.gz STSUBDYIWDPFKT-STQMWFEESA-N -1 1 373.413 0.680 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266410 492083311 /nfs/dbraw/zinc/08/33/11/492083311.db2.gz STSUBDYIWDPFKT-STQMWFEESA-N -1 1 373.413 0.680 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000615357667 492087561 /nfs/dbraw/zinc/08/75/61/492087561.db2.gz GLAXGBVGQLDJPS-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM Cc1cccc2c(=O)n(CC(=O)NC3(c4nn[n-]n4)CCCC3)cnc12 ZINC000605381316 492093009 /nfs/dbraw/zinc/09/30/09/492093009.db2.gz FVSRYLASQJCMHJ-UHFFFAOYSA-N -1 1 353.386 0.804 10 0 FCAEMM Cn1nc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c2ccccc2c1=O ZINC000605531629 492097976 /nfs/dbraw/zinc/09/79/76/492097976.db2.gz KUKDZLBKIHGPRW-UHFFFAOYSA-N -1 1 353.386 0.575 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)o1 ZINC000616556751 492137136 /nfs/dbraw/zinc/13/71/36/492137136.db2.gz HQUVXUKDSUEUQJ-NSHDSACASA-N -1 1 365.411 0.694 10 0 FCAEMM COC(=O)CCNC(=O)CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000599169695 492139094 /nfs/dbraw/zinc/13/90/94/492139094.db2.gz MBGLVLFXPDWMFS-UHFFFAOYSA-N -1 1 373.413 1.342 10 0 FCAEMM COC(=O)COCC[N-]S(=O)(=O)c1ncccc1Br ZINC000599443010 492173596 /nfs/dbraw/zinc/17/35/96/492173596.db2.gz GWKREFHZBAYWMB-UHFFFAOYSA-N -1 1 353.194 0.312 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000647580298 492323120 /nfs/dbraw/zinc/32/31/20/492323120.db2.gz HZDPOSMFTSHOCG-NWANDNLSSA-N -1 1 365.405 0.914 10 0 FCAEMM CN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000647586872 492326582 /nfs/dbraw/zinc/32/65/82/492326582.db2.gz PEYBZLLIYMIMRA-FZKCQIBNSA-N -1 1 359.426 0.918 10 0 FCAEMM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620723749 492328902 /nfs/dbraw/zinc/32/89/02/492328902.db2.gz QEMWXXNRSRNNFL-OAHLLOKOSA-N -1 1 371.441 0.032 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000622146540 492459169 /nfs/dbraw/zinc/45/91/69/492459169.db2.gz XKUQHYWXDLJEES-RYUDHWBXSA-N -1 1 351.384 0.186 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000622146540 492459173 /nfs/dbraw/zinc/45/91/73/492459173.db2.gz XKUQHYWXDLJEES-RYUDHWBXSA-N -1 1 351.384 0.186 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccnc(N4CCCCC4)n3)nc2n1 ZINC000622871027 492491667 /nfs/dbraw/zinc/49/16/67/492491667.db2.gz OOHICQBJHKVACL-UHFFFAOYSA-N -1 1 354.374 0.181 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)nc2n1 ZINC000622869921 492491877 /nfs/dbraw/zinc/49/18/77/492491877.db2.gz MARSCTHTAQTIRZ-ZDUSSCGKSA-N -1 1 355.354 0.568 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)nc2n1 ZINC000622869920 492492082 /nfs/dbraw/zinc/49/20/82/492492082.db2.gz MARSCTHTAQTIRZ-CYBMUJFWSA-N -1 1 355.354 0.568 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CSCN3C(=O)CC)nc2n1 ZINC000622996487 492498427 /nfs/dbraw/zinc/49/84/27/492498427.db2.gz PNHRMNJRCOSAGP-JTQLQIEISA-N -1 1 364.431 0.620 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(=O)n(CCO)c1 ZINC000649117285 492501421 /nfs/dbraw/zinc/50/14/21/492501421.db2.gz JEUZEWITTKMUGR-UHFFFAOYSA-N -1 1 371.397 0.777 10 0 FCAEMM CN1CC[C@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)S1(=O)=O ZINC000649216073 492510728 /nfs/dbraw/zinc/51/07/28/492510728.db2.gz IACVJWRVYPBHFT-SNVBAGLBSA-N -1 1 371.806 0.803 10 0 FCAEMM CN1CC[C@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)S1(=O)=O ZINC000649216073 492510733 /nfs/dbraw/zinc/51/07/33/492510733.db2.gz IACVJWRVYPBHFT-SNVBAGLBSA-N -1 1 371.806 0.803 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1)C1CC1 ZINC000629286844 492601195 /nfs/dbraw/zinc/60/11/95/492601195.db2.gz HDZLICUONVWCKB-HNNXBMFYSA-N -1 1 356.444 0.966 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)nc2n1 ZINC000643909628 492601413 /nfs/dbraw/zinc/60/14/13/492601413.db2.gz VTQRYNDVCDCOQO-MXWKQRLJSA-N -1 1 372.385 0.228 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)nc2n1 ZINC000643909329 492601563 /nfs/dbraw/zinc/60/15/63/492601563.db2.gz SGWONUPSMATIOQ-SNVBAGLBSA-N -1 1 356.317 0.930 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000650387135 492636842 /nfs/dbraw/zinc/63/68/42/492636842.db2.gz ZQATXVCYDZJSDT-AWEZNQCLSA-N -1 1 365.411 0.502 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1Br)[C@H]1CCOC1 ZINC000656734485 492648489 /nfs/dbraw/zinc/64/84/89/492648489.db2.gz FUUKRLZINOFSHX-WPRPVWTQSA-N -1 1 368.253 0.976 10 0 FCAEMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000629613632 492659815 /nfs/dbraw/zinc/65/98/15/492659815.db2.gz PRWBKHBNVOTYKL-BONVTDFDSA-N -1 1 355.416 0.448 10 0 FCAEMM COCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000650668715 492659947 /nfs/dbraw/zinc/65/99/47/492659947.db2.gz QCEQUXQZHQBNGT-AWEZNQCLSA-N -1 1 356.444 0.703 10 0 FCAEMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000650668716 492660137 /nfs/dbraw/zinc/66/01/37/492660137.db2.gz QCEQUXQZHQBNGT-CQSZACIVSA-N -1 1 356.444 0.703 10 0 FCAEMM O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1ncccc1Br ZINC000656901468 492664089 /nfs/dbraw/zinc/66/40/89/492664089.db2.gz PVIQODVMAQBWMQ-QMMMGPOBSA-N -1 1 369.262 0.700 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F)[C@H]1CCOC1 ZINC000656913307 492667680 /nfs/dbraw/zinc/66/76/80/492667680.db2.gz MEWIZVGTIHFMKP-ZLKJLUDKSA-N -1 1 365.398 0.969 10 0 FCAEMM CC(C)(C[N-]S(=O)(=O)c1ncccc1Br)S(C)(=O)=O ZINC000656928651 492670819 /nfs/dbraw/zinc/67/08/19/492670819.db2.gz SSPILUYGAADYGY-UHFFFAOYSA-N -1 1 371.278 0.946 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1CCOC1 ZINC000656955425 492677927 /nfs/dbraw/zinc/67/79/27/492677927.db2.gz GEJHQACKWUTLNU-NILFDRSVSA-N -1 1 372.418 0.512 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000629946663 492707813 /nfs/dbraw/zinc/70/78/13/492707813.db2.gz HNBQTTPHVHTFMC-UHFFFAOYSA-N -1 1 364.328 0.572 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccnc(N2CCOCC2)n1 ZINC000629952420 492708128 /nfs/dbraw/zinc/70/81/28/492708128.db2.gz VFQNNFBGYIQEMV-CQSZACIVSA-N -1 1 366.385 0.346 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000657101809 492721111 /nfs/dbraw/zinc/72/11/11/492721111.db2.gz VGMVPWCDOLUTCE-ZJUUUORDSA-N -1 1 357.812 0.569 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)CCOCC1 ZINC000625120969 492727059 /nfs/dbraw/zinc/72/70/59/492727059.db2.gz MSOZHSUXHROBHW-HNNXBMFYSA-N -1 1 368.455 0.907 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)[n-]1 ZINC000651515369 492772732 /nfs/dbraw/zinc/77/27/32/492772732.db2.gz BYMMBSPMCZGRES-UHFFFAOYSA-N -1 1 358.446 0.810 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630914560 492784444 /nfs/dbraw/zinc/78/44/44/492784444.db2.gz DVNFXHCIODWGCR-LBPRGKRZSA-N -1 1 353.806 0.441 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[n-]1 ZINC000651618837 492794898 /nfs/dbraw/zinc/79/48/98/492794898.db2.gz YWCWVNQIHIPEIF-GDBMZVCRSA-N -1 1 370.457 0.999 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[n-]1 ZINC000651806754 492825880 /nfs/dbraw/zinc/82/58/80/492825880.db2.gz ZLXASSUUTGKNOR-GDBMZVCRSA-N -1 1 370.457 0.999 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)c(F)c1 ZINC000625626101 492846675 /nfs/dbraw/zinc/84/66/75/492846675.db2.gz VNTZIIQKIFYPML-UHFFFAOYSA-N -1 1 369.415 0.042 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)CN1C1CC1 ZINC000632014974 492911625 /nfs/dbraw/zinc/91/16/25/492911625.db2.gz XYBVBEAZPBCUCF-GXFFZTMASA-N -1 1 360.382 0.681 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCCC1 ZINC000632048852 492920100 /nfs/dbraw/zinc/92/01/00/492920100.db2.gz VKYMUWXRXAIHDZ-JSGCOSHPSA-N -1 1 370.475 0.793 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)C1CCOCC1 ZINC000645646227 492952941 /nfs/dbraw/zinc/95/29/41/492952941.db2.gz QQVDDCGFMIZSCE-VIFPVBQESA-N -1 1 373.353 0.949 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1OC2CCC1CC2)[N-]CC(F)F ZINC000632319607 492972567 /nfs/dbraw/zinc/97/25/67/492972567.db2.gz GDUYHCDKOTUGCV-UHFFFAOYSA-N -1 1 362.420 0.449 10 0 FCAEMM COc1ccc(NC(=O)NC[C@@H]2COCCN2C)cc1[N-]S(C)(=O)=O ZINC000626408555 492973088 /nfs/dbraw/zinc/97/30/88/492973088.db2.gz ZZBWELUHHYWIQV-GFCCVEGCSA-N -1 1 372.447 0.519 10 0 FCAEMM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)CCOC1 ZINC000632495181 493012443 /nfs/dbraw/zinc/01/24/43/493012443.db2.gz JIUQQJFYGLXMBW-AAEUAGOBSA-N -1 1 355.478 0.066 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccnn2C)o1 ZINC000652984430 493053549 /nfs/dbraw/zinc/05/35/49/493053549.db2.gz RMVGUICBYGJNEK-NSHDSACASA-N -1 1 354.388 0.135 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@](COC)(C(=O)[O-])C2)CC1 ZINC000633070307 493114550 /nfs/dbraw/zinc/11/45/50/493114550.db2.gz WNSTYQYAFHNXGR-SFHVURJKSA-N -1 1 369.462 0.269 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000647125893 493167755 /nfs/dbraw/zinc/16/77/55/493167755.db2.gz FRAVMESMTFSALN-CYBMUJFWSA-N -1 1 357.432 0.314 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633695138 493182659 /nfs/dbraw/zinc/18/26/59/493182659.db2.gz CJNBFRPZZFGDEF-LLVKDONJSA-N -1 1 362.835 0.365 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cnccc1NC(C)=O)C1CCOCC1 ZINC000647273792 493189491 /nfs/dbraw/zinc/18/94/91/493189491.db2.gz KSYLUJRWJCFAEN-HNNXBMFYSA-N -1 1 357.432 0.645 10 0 FCAEMM CO[C@H](CS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCOCC1 ZINC000647275581 493190000 /nfs/dbraw/zinc/19/00/00/493190000.db2.gz NILOEZILZLOGDD-CQSZACIVSA-N -1 1 354.432 0.525 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CCNC(=O)c1n[nH]c3ccccc31)C2 ZINC000659778184 493288918 /nfs/dbraw/zinc/28/89/18/493288918.db2.gz BZMMTJOZOONIKO-ADLMAVQZSA-N -1 1 372.381 0.242 10 0 FCAEMM NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000682389532 493296063 /nfs/dbraw/zinc/29/60/63/493296063.db2.gz UUCDXWOXBHJFSD-UHFFFAOYSA-N -1 1 362.411 0.397 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)o1 ZINC000673959633 493376997 /nfs/dbraw/zinc/37/69/97/493376997.db2.gz ODTPMQXBEORNOO-UHFFFAOYSA-N -1 1 369.443 0.803 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)co1 ZINC000684167130 493398126 /nfs/dbraw/zinc/39/81/26/493398126.db2.gz WQDXLSIAWJXTDW-UHFFFAOYSA-N -1 1 361.379 0.959 10 0 FCAEMM CCN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1=O ZINC000670030323 493541824 /nfs/dbraw/zinc/54/18/24/493541824.db2.gz DYZCUQFRQOJZAW-SNVBAGLBSA-N -1 1 357.432 0.707 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000677644395 493611120 /nfs/dbraw/zinc/61/11/20/493611120.db2.gz LLQCSFSGYIIQOP-INIZCTEOSA-N -1 1 366.381 0.844 10 0 FCAEMM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000677785576 493616010 /nfs/dbraw/zinc/61/60/10/493616010.db2.gz OWIAFORGUSRNEC-UHFFFAOYSA-N -1 1 368.401 0.974 10 0 FCAEMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCc1nn[n-]n1 ZINC000678082303 493633296 /nfs/dbraw/zinc/63/32/96/493633296.db2.gz KOYYIOVHRHBUEN-UHFFFAOYSA-N -1 1 374.220 0.604 10 0 FCAEMM CS(=O)(=O)N1CCC(CS(=O)(=O)[N-][C@H]2CCCC2(F)F)CC1 ZINC000672430696 493766887 /nfs/dbraw/zinc/76/68/87/493766887.db2.gz CNICYEJXZNMWNB-NSHDSACASA-N -1 1 360.448 0.765 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195159205 534180325 /nfs/dbraw/zinc/18/03/25/534180325.db2.gz NRSYVXOFTRSSPC-VIFPVBQESA-N -1 1 363.486 0.911 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195159205 534180332 /nfs/dbraw/zinc/18/03/32/534180332.db2.gz NRSYVXOFTRSSPC-VIFPVBQESA-N -1 1 363.486 0.911 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195159205 534180340 /nfs/dbraw/zinc/18/03/40/534180340.db2.gz NRSYVXOFTRSSPC-VIFPVBQESA-N -1 1 363.486 0.911 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)c1ccnn1C ZINC000592093674 546610948 /nfs/dbraw/zinc/61/09/48/546610948.db2.gz UPJPBNDNAMVITC-CQSZACIVSA-N -1 1 353.400 0.762 10 0 FCAEMM NC(=O)[C@H]1C[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000593813577 546754853 /nfs/dbraw/zinc/75/48/53/546754853.db2.gz HLQVQSOVBCWPGH-WRXNHJIOSA-N -1 1 360.151 0.991 10 0 FCAEMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594785980 546835013 /nfs/dbraw/zinc/83/50/13/546835013.db2.gz WSRNSTOHWHIJRF-RFQIPJPRSA-N -1 1 351.465 0.935 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c1Br ZINC000866848093 663141724 /nfs/dbraw/zinc/14/17/24/663141724.db2.gz NIDVIYINLVVMCW-LURJTMIESA-N -1 1 366.159 0.774 10 0 FCAEMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cn1 ZINC000866870993 663472664 /nfs/dbraw/zinc/47/26/64/663472664.db2.gz AIOIAJIHUOQWCU-GFCCVEGCSA-N -1 1 361.493 0.485 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](C(C)C)N1CCN(C)CC1 ZINC000866873035 663473002 /nfs/dbraw/zinc/47/30/02/663473002.db2.gz KKEGAAZUXAIUHN-ZSEKCTLFSA-N -1 1 354.542 0.211 10 0 FCAEMM O=C([O-])[C@]1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCSC1 ZINC000909352364 664368406 /nfs/dbraw/zinc/36/84/06/664368406.db2.gz OSLNDAJHFYAEFN-KRWDZBQOSA-N -1 1 364.471 0.670 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000727754637 665067637 /nfs/dbraw/zinc/06/76/37/665067637.db2.gz VBAGGRVJDMJTKV-SNVBAGLBSA-N -1 1 363.399 0.013 10 0 FCAEMM COC(=O)[C@@](C)(CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000909583683 665161077 /nfs/dbraw/zinc/16/10/77/665161077.db2.gz ZEPPGVPYQGWZRS-LLVKDONJSA-N -1 1 367.146 0.976 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000866942815 665227427 /nfs/dbraw/zinc/22/74/27/665227427.db2.gz YUYIGUQPNUHKQK-WHEQGISXSA-N -1 1 367.537 0.972 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CCCC23CC3)CC1 ZINC000908722765 666215880 /nfs/dbraw/zinc/21/58/80/666215880.db2.gz VPFCJLYJEZXJNF-OAHLLOKOSA-N -1 1 352.479 0.910 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC000908732006 666216529 /nfs/dbraw/zinc/21/65/29/666216529.db2.gz IZIRLRPZNYENJY-FXUDXRNXSA-N -1 1 352.479 0.622 10 0 FCAEMM CO[C@@H]1CN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)[C@](C)(C(=O)[O-])C1 ZINC000908761851 666217528 /nfs/dbraw/zinc/21/75/28/666217528.db2.gz YNQJHUQSKPAPBI-VBQJREDUSA-N -1 1 357.451 0.617 10 0 FCAEMM CSC[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000910877813 666286681 /nfs/dbraw/zinc/28/66/81/666286681.db2.gz LNTNSKPQSQPVRT-CYBMUJFWSA-N -1 1 352.460 0.526 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)c1Cl ZINC000921323136 666433362 /nfs/dbraw/zinc/43/33/62/666433362.db2.gz DBDOQTBLIFPDEY-ZJUUUORDSA-N -1 1 350.897 0.932 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)o1 ZINC000921323573 666438604 /nfs/dbraw/zinc/43/86/04/666438604.db2.gz KJGPBGPCKVCIPO-GHMZBOCLSA-N -1 1 360.457 0.924 10 0 FCAEMM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912490132 666445752 /nfs/dbraw/zinc/44/57/52/666445752.db2.gz UGALUQHLMPZOHH-QMMMGPOBSA-N -1 1 364.324 0.995 10 0 FCAEMM CC(C)(CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000921488875 666453966 /nfs/dbraw/zinc/45/39/66/666453966.db2.gz LTGFAMXMFOUPGV-UHFFFAOYSA-N -1 1 360.379 0.710 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)C(N)=O)c1F ZINC000913871426 666660252 /nfs/dbraw/zinc/66/02/52/666660252.db2.gz CWQULIXTFKMKOF-RXMQYKEDSA-N -1 1 355.185 0.749 10 0 FCAEMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2occc2Br)cn1 ZINC000914298184 666735840 /nfs/dbraw/zinc/73/58/40/666735840.db2.gz QLILVHRVMAPQDA-SECBINFHSA-N -1 1 350.194 0.788 10 0 FCAEMM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)[N-]CC(F)(F)CO)CC1 ZINC000914382800 666749135 /nfs/dbraw/zinc/74/91/35/666749135.db2.gz LVLFPPUATQZPDU-UHFFFAOYSA-N -1 1 358.407 0.502 10 0 FCAEMM NC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccsc2Br)CCOC1 ZINC000916825505 667030661 /nfs/dbraw/zinc/03/06/61/667030661.db2.gz KVFFJNVBYFDHEQ-SNVBAGLBSA-N -1 1 369.262 0.574 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736319837 667096900 /nfs/dbraw/zinc/09/69/00/667096900.db2.gz PIKOQOWRVLNIAC-PWSUYJOCSA-N -1 1 352.464 0.853 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736319839 667096974 /nfs/dbraw/zinc/09/69/74/667096974.db2.gz PIKOQOWRVLNIAC-ZYHUDNBSSA-N -1 1 352.464 0.853 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]CC23COCCN2CCOC3)c(F)c1 ZINC000918377442 667116569 /nfs/dbraw/zinc/11/65/69/667116569.db2.gz HWOKQQOWOHPRAY-UHFFFAOYSA-N -1 1 362.398 0.653 10 0 FCAEMM CN(C)[S@](C)(=O)=NS(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC000921968906 667556535 /nfs/dbraw/zinc/55/65/35/667556535.db2.gz QLWXWLIPHCHUJB-OAQYLSRUSA-N -1 1 357.404 0.622 10 0 FCAEMM CS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000755909188 667652441 /nfs/dbraw/zinc/65/24/41/667652441.db2.gz LEQHCEFFKYKLGS-UHFFFAOYSA-N -1 1 353.379 0.942 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@H](C)CS(C)(=O)=O ZINC000758017182 667741375 /nfs/dbraw/zinc/74/13/75/667741375.db2.gz UDESMNBDEIXFME-VIFPVBQESA-N -1 1 355.416 0.818 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000866988295 667943186 /nfs/dbraw/zinc/94/31/86/667943186.db2.gz NTVKVJSQXORMME-RKDXNWHRSA-N -1 1 356.370 0.436 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000769656311 668147015 /nfs/dbraw/zinc/14/70/15/668147015.db2.gz GXTMISIMHDVALG-NWDGAFQWSA-N -1 1 361.464 0.824 10 0 FCAEMM COC(=O)[C@H](CO)[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000775583302 668222319 /nfs/dbraw/zinc/22/23/19/668222319.db2.gz SARVODFFUVBRKA-MLRMMBSGSA-N -1 1 364.217 0.873 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCC1CS(=O)(=O)C1 ZINC000790644756 668880024 /nfs/dbraw/zinc/88/00/24/668880024.db2.gz DWLQZIKPIMYCTF-UHFFFAOYSA-N -1 1 353.400 0.572 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)N(C)C)c(F)cc1Cl ZINC000795775229 669061101 /nfs/dbraw/zinc/06/11/01/669061101.db2.gz MDTKNGQACOTXBY-UHFFFAOYSA-N -1 1 352.771 0.632 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCNC(C)=O)c(F)cc1Cl ZINC000795770539 669061242 /nfs/dbraw/zinc/06/12/42/669061242.db2.gz ZXUMGHAMOVBMIV-UHFFFAOYSA-N -1 1 352.771 0.680 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)c(F)cc1Cl ZINC000795925890 669071721 /nfs/dbraw/zinc/07/17/21/669071721.db2.gz MSXILLDIDFPPAM-ZCFIWIBFSA-N -1 1 350.755 0.433 10 0 FCAEMM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)NN2CC(=O)[N-]C2=O)n1 ZINC000824997912 669430459 /nfs/dbraw/zinc/43/04/59/669430459.db2.gz FJKJNDFJRQBFFS-SECBINFHSA-N -1 1 352.351 0.376 10 0 FCAEMM C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707799 669509896 /nfs/dbraw/zinc/50/98/96/669509896.db2.gz BMKZJHOLLDTPBM-QXEWZRGKSA-N -1 1 373.397 0.230 10 0 FCAEMM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707707 669509902 /nfs/dbraw/zinc/50/99/02/669509902.db2.gz YFKFVBJELWNPGT-XKNYDFJKSA-N -1 1 373.397 0.228 10 0 FCAEMM C[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809248245 669615640 /nfs/dbraw/zinc/61/56/40/669615640.db2.gz BAQWBNVAWAJXJG-GUBZILKMSA-N -1 1 370.393 0.868 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000831332994 669842065 /nfs/dbraw/zinc/84/20/65/669842065.db2.gz NTPHQQSCCWGWJS-ONGXEEELSA-N -1 1 369.472 0.466 10 0 FCAEMM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867106155 669940970 /nfs/dbraw/zinc/94/09/70/669940970.db2.gz WTNAGFVIUZQTHD-RKDXNWHRSA-N -1 1 357.354 0.911 10 0 FCAEMM CCO/C=C\C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000816830438 669981719 /nfs/dbraw/zinc/98/17/19/669981719.db2.gz HDXBKFBWXBLEET-YVMONPNESA-N -1 1 356.400 0.902 10 0 FCAEMM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1nc(Br)ccc1[O-] ZINC000816952817 669989769 /nfs/dbraw/zinc/98/97/69/669989769.db2.gz SGHNFJUDCBTMMO-LURJTMIESA-N -1 1 353.180 0.713 10 0 FCAEMM C[C@H]1CN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCO1 ZINC000867145859 670017714 /nfs/dbraw/zinc/01/77/14/670017714.db2.gz JWVMEDWXMQLXQY-XMHCIUCPSA-N -1 1 361.489 0.698 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CC2(C1)CNC(=O)O2 ZINC000817681263 670027364 /nfs/dbraw/zinc/02/73/64/670027364.db2.gz AKKCQWGURFVVMR-UHFFFAOYSA-N -1 1 374.134 0.931 10 0 FCAEMM C[C@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000841436972 670559524 /nfs/dbraw/zinc/55/95/24/670559524.db2.gz ZIPWCNSLWMQWFM-CIQUZCHMSA-N -1 1 351.325 0.787 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(-c3cccnc3)nn2)CCC1 ZINC000843013578 670766132 /nfs/dbraw/zinc/76/61/32/670766132.db2.gz GEWVBEJVCYTOEN-UHFFFAOYSA-N -1 1 364.431 0.206 10 0 FCAEMM CCn1nc(C)c(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c1C ZINC000843015428 670766677 /nfs/dbraw/zinc/76/66/77/670766677.db2.gz VXFSRYIXEWMHPE-UHFFFAOYSA-N -1 1 356.492 0.993 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc3c2oc(=O)n3C)CCC1 ZINC000843016706 670767327 /nfs/dbraw/zinc/76/73/27/670767327.db2.gz SPNNRNCQDDTVJV-UHFFFAOYSA-N -1 1 367.427 0.675 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCCNC(=O)C(C)(C)C)CCC1 ZINC000843017471 670768056 /nfs/dbraw/zinc/76/80/56/670768056.db2.gz GBZDZYOHURKHIX-UHFFFAOYSA-N -1 1 361.508 0.859 10 0 FCAEMM Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018763 670768715 /nfs/dbraw/zinc/76/87/15/670768715.db2.gz CUIPLCKMWDJZEI-UHFFFAOYSA-N -1 1 361.489 0.539 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(C)c2C(F)F)CCC1 ZINC000843019002 670768730 /nfs/dbraw/zinc/76/87/30/670768730.db2.gz XZPCJHSLFICIGV-UHFFFAOYSA-N -1 1 350.391 0.902 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3cncn3)c2)CCC1 ZINC000843018609 670768760 /nfs/dbraw/zinc/76/87/60/670768760.db2.gz POLAMKSAMQDQOT-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019583 670769184 /nfs/dbraw/zinc/76/91/84/670769184.db2.gz SJHMOEZZUZRVSI-KBPBESRZSA-N -1 1 362.492 0.891 10 0 FCAEMM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019396 670769219 /nfs/dbraw/zinc/76/92/19/670769219.db2.gz POOHLBVQJSWCEG-LLVKDONJSA-N -1 1 357.432 0.328 10 0 FCAEMM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019397 670769285 /nfs/dbraw/zinc/76/92/85/670769285.db2.gz POOHLBVQJSWCEG-NSHDSACASA-N -1 1 357.432 0.328 10 0 FCAEMM CCOC(=O)C1CCC(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC000843790182 670855117 /nfs/dbraw/zinc/85/51/17/670855117.db2.gz CXIAPJAVULLCND-WXRRBKDZSA-N -1 1 351.407 0.859 10 0 FCAEMM CC[C@](COC)([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000867377863 670960100 /nfs/dbraw/zinc/96/01/00/670960100.db2.gz OJANWISQQAPXTO-LLVKDONJSA-N -1 1 373.353 0.685 10 0 FCAEMM CC(C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231384 671323518 /nfs/dbraw/zinc/32/35/18/671323518.db2.gz COHGJGLWRFEAJB-IUCAKERBSA-N -1 1 360.354 0.568 10 0 FCAEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(C)(C)C ZINC000849381150 671332189 /nfs/dbraw/zinc/33/21/89/671332189.db2.gz NKPUECZTVWJPLG-YNEHKIRRSA-N -1 1 351.465 0.935 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1c(Cl)ccnc1Cl ZINC000849428106 671342098 /nfs/dbraw/zinc/34/20/98/671342098.db2.gz SQYPGPQJYZUHEO-LBPRGKRZSA-N -1 1 371.242 0.835 10 0 FCAEMM Cn1[n-]c(COC(=O)c2cncc3nc(C(F)(F)F)n(C)c32)nc1=O ZINC000850181887 671375383 /nfs/dbraw/zinc/37/53/83/671375383.db2.gz UXAYROHUYHKVRN-UHFFFAOYSA-N -1 1 356.264 0.766 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cnn1C ZINC000851699322 671459714 /nfs/dbraw/zinc/45/97/14/671459714.db2.gz AZIFAFNJNYNXRW-ZJUUUORDSA-N -1 1 362.308 0.465 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc[n+]1[O-] ZINC000851699377 671459739 /nfs/dbraw/zinc/45/97/39/671459739.db2.gz BTWOHAUGCUMCQD-WCBMZHEXSA-N -1 1 361.276 0.056 10 0 FCAEMM C[C@H](Cn1cncn1)NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852061484 671484252 /nfs/dbraw/zinc/48/42/52/671484252.db2.gz UPNJBCHGBVNCMR-MXWKQRLJSA-N -1 1 362.356 0.765 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2)COC1 ZINC000903174756 675917995 /nfs/dbraw/zinc/91/79/95/675917995.db2.gz IRUUBJTWNUOJKP-UHFFFAOYSA-N -1 1 353.849 0.573 10 0 FCAEMM CN(C)c1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852732321 671519912 /nfs/dbraw/zinc/51/99/12/671519912.db2.gz AUPPHCBMOWZEHN-CBAPKCEASA-N -1 1 365.312 0.232 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1)OC ZINC000853209348 671543309 /nfs/dbraw/zinc/54/33/09/671543309.db2.gz JCVJJHKNLONHIJ-RISCZKNCSA-N -1 1 354.444 0.306 10 0 FCAEMM C[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)CCN1S(C)(=O)=O ZINC000853564550 671550466 /nfs/dbraw/zinc/55/04/66/671550466.db2.gz RRMWYEIFEDYACQ-LLVKDONJSA-N -1 1 368.488 0.926 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)c(F)c1 ZINC000903175135 675918335 /nfs/dbraw/zinc/91/83/35/675918335.db2.gz NCMZJIPHWJITPI-UHFFFAOYSA-N -1 1 355.384 0.365 10 0 FCAEMM CC(C)O[N-]C(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000854755039 671600339 /nfs/dbraw/zinc/60/03/39/671600339.db2.gz XCIVTUWRJKVQGB-LLVKDONJSA-N -1 1 362.448 0.724 10 0 FCAEMM COC[C@@]1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCOC1 ZINC000856416426 671687463 /nfs/dbraw/zinc/68/74/63/671687463.db2.gz ZAMHRKGRXNUOBE-SUNKGSAMSA-N -1 1 352.353 0.955 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)O1 ZINC000858303697 671757501 /nfs/dbraw/zinc/75/75/01/671757501.db2.gz ZBOZSFIONHVNJC-OLZOCXBDSA-N -1 1 372.399 0.726 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1ccc(Br)nc1F)NC1CC1 ZINC000858883276 671780794 /nfs/dbraw/zinc/78/07/94/671780794.db2.gz MAWVHAXPGQWGKT-UHFFFAOYSA-N -1 1 352.185 0.540 10 0 FCAEMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000858931251 671783605 /nfs/dbraw/zinc/78/36/05/671783605.db2.gz OGNBKRZRKWXYEB-ZCFIWIBFSA-N -1 1 352.185 0.492 10 0 FCAEMM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)ccc1F ZINC000903542857 675941779 /nfs/dbraw/zinc/94/17/79/675941779.db2.gz XRRVLVCXGUWCAC-SNVBAGLBSA-N -1 1 354.400 0.020 10 0 FCAEMM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859180335 671798476 /nfs/dbraw/zinc/79/84/76/671798476.db2.gz YMSCOBFMOSJGGV-LURJTMIESA-N -1 1 354.201 0.786 10 0 FCAEMM CON(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859194927 671799786 /nfs/dbraw/zinc/79/97/86/671799786.db2.gz ROCYWQFHMJMGMM-UHFFFAOYSA-N -1 1 356.173 0.281 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000117320412 671876179 /nfs/dbraw/zinc/87/61/79/671876179.db2.gz ZDVQODKAXJHDPN-JTQLQIEISA-N -1 1 354.461 0.584 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)c3ccccc32)CCC1 ZINC000860847032 671921140 /nfs/dbraw/zinc/92/11/40/671921140.db2.gz HKGOKWLFZMYQKC-CQSZACIVSA-N -1 1 365.455 0.444 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000863862432 672160251 /nfs/dbraw/zinc/16/02/51/672160251.db2.gz RYHPNNHFYNHQSL-UHFFFAOYSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000863862432 672160255 /nfs/dbraw/zinc/16/02/55/672160255.db2.gz RYHPNNHFYNHQSL-UHFFFAOYSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1=O ZINC000866791528 672306063 /nfs/dbraw/zinc/30/60/63/672306063.db2.gz DIMSOBONZJTBND-QMMMGPOBSA-N -1 1 354.354 0.727 10 0 FCAEMM CN1C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCC1=O ZINC000866823871 672313637 /nfs/dbraw/zinc/31/36/37/672313637.db2.gz PUMXHHCZBHVZFL-MLMJSJRWSA-N -1 1 363.436 0.738 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1c(Br)cnn1C ZINC000867602825 672346178 /nfs/dbraw/zinc/34/61/78/672346178.db2.gz IWKKXEKGJKXXII-QGZVFWFLSA-N -1 1 359.271 0.635 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H](N3CCOCC3)C2(C)C)c1Cl ZINC000867452585 672318107 /nfs/dbraw/zinc/31/81/07/672318107.db2.gz HITGMJIFZPTWSG-MNOVXSKESA-N -1 1 362.883 0.851 10 0 FCAEMM Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867465080 672320411 /nfs/dbraw/zinc/32/04/11/672320411.db2.gz GOSYZONFVMLGQL-GFCCVEGCSA-N -1 1 359.473 0.859 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c1C(F)(F)F ZINC000867488214 672324566 /nfs/dbraw/zinc/32/45/66/672324566.db2.gz DVSGFYIPEBELKU-QMMMGPOBSA-N -1 1 368.337 0.700 10 0 FCAEMM O=[S@@](CC[N-]S(=O)(=O)c1ccc(F)nc1F)CC(F)(F)F ZINC000867496905 672326434 /nfs/dbraw/zinc/32/64/34/672326434.db2.gz KSBUHWPEPXXQOU-FQEVSTJZSA-N -1 1 352.306 0.949 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc4ccccc4o3)COCCN12 ZINC000867750848 672363545 /nfs/dbraw/zinc/36/35/45/672363545.db2.gz ZWRFKVHNNSYPOT-HNNXBMFYSA-N -1 1 352.368 0.932 10 0 FCAEMM COCC[C@@H](COC)NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868627429 672405848 /nfs/dbraw/zinc/40/58/48/672405848.db2.gz UUQZHAKCJINVLX-GXFFZTMASA-N -1 1 355.357 0.890 10 0 FCAEMM COC(C)(C)CS(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871996552 672591724 /nfs/dbraw/zinc/59/17/24/672591724.db2.gz KHGFMVBGVKRVLM-CQSZACIVSA-N -1 1 358.460 0.916 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)c1nncn1C ZINC000872006424 672593470 /nfs/dbraw/zinc/59/34/70/672593470.db2.gz GHMSHXJVMGBBCT-SSDOTTSWSA-N -1 1 352.342 0.649 10 0 FCAEMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872482768 672624378 /nfs/dbraw/zinc/62/43/78/672624378.db2.gz ZSXQIBQZEOEVLY-GTJPDFRWSA-N -1 1 353.510 0.976 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@]1(C(F)(F)F)CCCN1 ZINC000923683892 673120541 /nfs/dbraw/zinc/12/05/41/673120541.db2.gz PTCJDHQVYNYFTH-SNVBAGLBSA-N -1 1 373.378 0.893 10 0 FCAEMM O=C([N-]CC1CN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C1)C(F)(F)F ZINC000926675116 673839218 /nfs/dbraw/zinc/83/92/18/673839218.db2.gz IMPKLNJPXHVJRP-MXWKQRLJSA-N -1 1 351.325 0.110 10 0 FCAEMM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927784350 673881119 /nfs/dbraw/zinc/88/11/19/673881119.db2.gz FLTXQAGBFDYPHP-KOLCDFICSA-N -1 1 358.341 0.778 10 0 FCAEMM C[C@H](CN1CCN(S(=O)(=O)N(C)C)CC1)C(=O)c1ccc([O-])cc1 ZINC000929246506 673946015 /nfs/dbraw/zinc/94/60/15/673946015.db2.gz PJVSEIDMLUBZHF-CYBMUJFWSA-N -1 1 355.460 0.635 10 0 FCAEMM O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1ncccc1[O-] ZINC001625856133 1168380187 /nfs/dbraw/zinc/38/01/87/1168380187.db2.gz WSUXIFHHQYMZJD-UHFFFAOYSA-N -1 1 357.338 0.774 10 0 FCAEMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001268655612 1187750339 /nfs/dbraw/zinc/75/03/39/1187750339.db2.gz XCFFGLFMESPSAF-YUELXQCFSA-N -1 1 359.430 0.895 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001719886238 1188407498 /nfs/dbraw/zinc/40/74/98/1188407498.db2.gz UYCKPAVZNZQCGP-MWEHARGGSA-N -1 1 362.386 0.724 10 0 FCAEMM COc1ccc(CCC(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)cc1 ZINC001625936902 1189850386 /nfs/dbraw/zinc/85/03/86/1189850386.db2.gz FMLDTFDBAPPQCB-UHFFFAOYSA-N -1 1 372.429 0.445 10 0 FCAEMM O=C([O-])[C@H](CCF)NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000908753090 1195763928 /nfs/dbraw/zinc/76/39/28/1195763928.db2.gz LBSFUTVBYVUFCC-INIZCTEOSA-N -1 1 366.437 0.916 10 0 FCAEMM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908791714 1195765497 /nfs/dbraw/zinc/76/54/97/1195765497.db2.gz UJFMLTYTTTVGPV-CVEARBPZSA-N -1 1 361.442 0.599 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@]3(CC(=O)[O-])CCCOC3)n2)CC1 ZINC000909690969 1195794336 /nfs/dbraw/zinc/79/43/36/1195794336.db2.gz BEYVLOUXSAYARU-SFHVURJKSA-N -1 1 362.430 0.587 10 0 FCAEMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)O1 ZINC000911420542 1195953011 /nfs/dbraw/zinc/95/30/11/1195953011.db2.gz CMOLXKQPTMHDTM-VVLHAWIVSA-N -1 1 362.426 0.618 10 0 FCAEMM CCOC(=O)C(=O)N1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000735927426 1197899234 /nfs/dbraw/zinc/89/92/34/1197899234.db2.gz GJFIPVFDILUSTM-UHFFFAOYSA-N -1 1 372.381 0.491 10 0 FCAEMM CCOC(=O)C(=O)N1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000735927426 1197899237 /nfs/dbraw/zinc/89/92/37/1197899237.db2.gz GJFIPVFDILUSTM-UHFFFAOYSA-N -1 1 372.381 0.491 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)ccnc1-2 ZINC000806493084 1202741915 /nfs/dbraw/zinc/74/19/15/1202741915.db2.gz SORXFCJIHVZPRW-AWEZNQCLSA-N -1 1 358.402 0.243 10 0 FCAEMM CC(C)N1C(=O)CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1(C)C ZINC000806919469 1202788847 /nfs/dbraw/zinc/78/88/47/1202788847.db2.gz QYGZTJJEGSMTNX-UHFFFAOYSA-N -1 1 372.429 0.138 10 0 FCAEMM CC[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@]2(CCOC2)O1 ZINC000807070646 1202810576 /nfs/dbraw/zinc/81/05/76/1202810576.db2.gz VLYXLGYQGPQZIB-KZULUSFZSA-N -1 1 373.413 0.077 10 0 FCAEMM COC(=O)c1occc1CNC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001147801173 1204810577 /nfs/dbraw/zinc/81/05/77/1204810577.db2.gz ZDFQGGCNCSWEQR-UHFFFAOYSA-N -1 1 358.310 0.576 10 0 FCAEMM O=C(CNC(=O)NC1CCCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175214697 1206301669 /nfs/dbraw/zinc/30/16/69/1206301669.db2.gz RXVVDNAWJVVBQC-UHFFFAOYSA-N -1 1 363.418 0.503 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001175213824 1206301687 /nfs/dbraw/zinc/30/16/87/1206301687.db2.gz HGCIJLWJGXFJJK-KBXCAEBGSA-N -1 1 363.414 0.989 10 0 FCAEMM CCOC(=O)c1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[nH]c1C ZINC001175213643 1206301949 /nfs/dbraw/zinc/30/19/49/1206301949.db2.gz FHKVDGFITCNRKT-UHFFFAOYSA-N -1 1 360.370 0.998 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001180222002 1206389852 /nfs/dbraw/zinc/38/98/52/1206389852.db2.gz OPLIJDAWMDUIDO-HAQNSBGRSA-N -1 1 359.386 0.265 10 0 FCAEMM CCO[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C(C)C ZINC001489359219 1208819024 /nfs/dbraw/zinc/81/90/24/1208819024.db2.gz GNAUABCREXOWLP-BPLDGKMQSA-N -1 1 365.430 0.540 10 0 FCAEMM CCOCCCCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001489577764 1208893109 /nfs/dbraw/zinc/89/31/09/1208893109.db2.gz YSEHFSLMWFJJNQ-HIFRSBDPSA-N -1 1 365.430 0.686 10 0 FCAEMM COCCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001489646144 1209073268 /nfs/dbraw/zinc/07/32/68/1209073268.db2.gz NDABSNUDZBVEPT-ZIAGYGMSSA-N -1 1 363.414 0.513 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2cn(C)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001490106298 1209233293 /nfs/dbraw/zinc/23/32/93/1209233293.db2.gz XTTAKOFPHIMIFZ-YPMHNXCESA-N -1 1 358.402 0.268 10 0 FCAEMM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001490280569 1209294997 /nfs/dbraw/zinc/29/49/97/1209294997.db2.gz NVTZUAQSCVUISM-LGSVWZNTSA-N -1 1 358.402 0.208 10 0 FCAEMM C[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@](C)(C(F)F)O1 ZINC000854000404 1209612619 /nfs/dbraw/zinc/61/26/19/1209612619.db2.gz WDKLYVKGRFQPBU-JDNHERCYSA-N -1 1 367.356 0.551 10 0 FCAEMM CCn1c(=O)c2ccc(C(=O)NCc3n[nH]c(COC)n3)cc2[n-]c1=S ZINC000855522286 1209673617 /nfs/dbraw/zinc/67/36/17/1209673617.db2.gz UHUBNVRMNPHKOS-UHFFFAOYSA-N -1 1 374.426 0.900 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2nnn[n-]2)C1 ZINC000859447679 1209822018 /nfs/dbraw/zinc/82/20/18/1209822018.db2.gz WUVZAEARVSLXPO-LRDDRELGSA-N -1 1 360.374 0.954 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)Nc2nn[n-]n2)C1 ZINC000859447679 1209822024 /nfs/dbraw/zinc/82/20/24/1209822024.db2.gz WUVZAEARVSLXPO-LRDDRELGSA-N -1 1 360.374 0.954 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)O1 ZINC000859963499 1209834211 /nfs/dbraw/zinc/83/42/11/1209834211.db2.gz QRBGVHPXOWTFOV-QWHCGFSZSA-N -1 1 365.338 0.215 10 0 FCAEMM COc1ncc(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000863441099 1209941282 /nfs/dbraw/zinc/94/12/82/1209941282.db2.gz BAGOJCDBBNEIIE-UHFFFAOYSA-N -1 1 356.386 0.752 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)nc2n1 ZINC001274694348 1211103523 /nfs/dbraw/zinc/10/35/23/1211103523.db2.gz ZEFCAUONUQHJAB-SMDDNHRTSA-N -1 1 367.369 0.279 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@]3(C)Oc4ccccc4NC3=O)nc2n1 ZINC001274693176 1211103644 /nfs/dbraw/zinc/10/36/44/1211103644.db2.gz KKBAAQRRPNOXAV-MRXNPFEDSA-N -1 1 354.326 0.454 10 0 FCAEMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)cc2)[n-]1 ZINC000928453074 1211603213 /nfs/dbraw/zinc/60/32/13/1211603213.db2.gz IEQAIJUGDGPQQC-WBMJQRKESA-N -1 1 372.425 0.704 10 0 FCAEMM CC1(C)C[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001490833419 1211606090 /nfs/dbraw/zinc/60/60/90/1211606090.db2.gz FUSKZMOWBXGHOS-SYQHCUMBSA-N -1 1 374.441 0.221 10 0 FCAEMM Cc1cc(C)n2nc(CC(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)nc2n1 ZINC000956872985 1213218630 /nfs/dbraw/zinc/21/86/30/1213218630.db2.gz LPCZNHLBYQSJNO-NSHDSACASA-N -1 1 357.374 0.778 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)nn1-c1ccccc1 ZINC000798147864 1221279242 /nfs/dbraw/zinc/27/92/42/1221279242.db2.gz HPBMEGHBYSOTHM-UHFFFAOYSA-N -1 1 353.386 0.818 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC(=O)[C@H](C)C1 ZINC001116879235 1221398683 /nfs/dbraw/zinc/39/86/83/1221398683.db2.gz SZMATICRSUDXGP-GFCCVEGCSA-N -1 1 362.430 0.697 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)NC[C@H]3C[C@H]3C)CC2)n1 ZINC001117059250 1221450198 /nfs/dbraw/zinc/45/01/98/1221450198.db2.gz BJFUUTJQSRQDSJ-ZYHUDNBSSA-N -1 1 363.418 0.460 10 0 FCAEMM COc1cccc([C@H]2CN(c3nnc(Cc4nnn[n-]4)n3C)CCO2)c1 ZINC001123263306 1222327662 /nfs/dbraw/zinc/32/76/62/1222327662.db2.gz BNOUIDLCDYCKEG-CYBMUJFWSA-N -1 1 356.390 0.506 10 0 FCAEMM COc1cccc([C@H]2CN(c3nnc(Cc4nn[n-]n4)n3C)CCO2)c1 ZINC001123263306 1222327666 /nfs/dbraw/zinc/32/76/66/1222327666.db2.gz BNOUIDLCDYCKEG-CYBMUJFWSA-N -1 1 356.390 0.506 10 0 FCAEMM C[C@@H](CN(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nn[n-]n1 ZINC001138057874 1222476585 /nfs/dbraw/zinc/47/65/85/1222476585.db2.gz RFALXMHCYCKVGU-QMMMGPOBSA-N -1 1 373.339 0.750 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001138058373 1222476906 /nfs/dbraw/zinc/47/69/06/1222476906.db2.gz XGNNYKGMVMSQEZ-UVWXRNBGSA-N -1 1 368.438 0.522 10 0 FCAEMM COc1ccc2nc([C@H](C)NC(=O)Cn3[n-]cc4c(=O)ncnc3-4)[nH]c2c1 ZINC001138589596 1222516976 /nfs/dbraw/zinc/51/69/76/1222516976.db2.gz TZZGVNHPCGEEJW-VIFPVBQESA-N -1 1 367.369 0.834 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Cc3nnc(C4CC4)[nH]3)CC2)n1 ZINC001139569446 1222553788 /nfs/dbraw/zinc/55/37/88/1222553788.db2.gz AJMWEYVESYMHGX-UHFFFAOYSA-N -1 1 373.417 0.926 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@H]2CCOC[C@@H]2OC)cc1 ZINC000838012037 1222667065 /nfs/dbraw/zinc/66/70/65/1222667065.db2.gz OKLQJLSZXLFLDH-HIFRSBDPSA-N -1 1 365.382 0.936 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)CC)CCN1C(=O)c1ncccc1[O-] ZINC001519862752 1265787680 /nfs/dbraw/zinc/78/76/80/1265787680.db2.gz GVASOOFLLGDULH-NWDGAFQWSA-N -1 1 369.443 0.331 10 0 FCAEMM CCN1CC[C@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1=O ZINC001329974186 1265912155 /nfs/dbraw/zinc/91/21/55/1265912155.db2.gz HLQVRHGVAIQRFM-AWEZNQCLSA-N -1 1 355.398 0.832 10 0 FCAEMM COCCCn1nc(C(=O)OCC(=O)c2ccc([O-])cc2O)ccc1=O ZINC001330232472 1265969460 /nfs/dbraw/zinc/96/94/60/1265969460.db2.gz PEETWWPTDBXWGP-UHFFFAOYSA-N -1 1 362.338 0.731 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)nc2C1 ZINC001168692585 1259390583 /nfs/dbraw/zinc/39/05/83/1259390583.db2.gz DVEFTSKRKJCZBL-IUODEOHRSA-N -1 1 353.386 0.877 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001521986446 1266277825 /nfs/dbraw/zinc/27/78/25/1266277825.db2.gz HDADLASALWHKKM-UKRRQHHQSA-N -1 1 371.441 0.978 10 0 FCAEMM O=C(NC1CCN(Cc2ccncc2)CC1)c1c[n-]n2c1nccc2=O ZINC001256803515 1259960751 /nfs/dbraw/zinc/96/07/51/1259960751.db2.gz SBUMGTBOWBVXBB-UHFFFAOYSA-N -1 1 352.398 0.812 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001261751085 1260184347 /nfs/dbraw/zinc/18/43/47/1260184347.db2.gz PDGHJFCFBLYNLG-DZGCQCFKSA-N -1 1 372.381 0.130 10 0 FCAEMM O=C([O-])c1cccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC001262161134 1260272347 /nfs/dbraw/zinc/27/23/47/1260272347.db2.gz ZVPDFHUKTGOPTR-KRWDZBQOSA-N -1 1 361.442 0.911 10 0 FCAEMM Cc1cc(N2CCC[C@@H](NC(=O)CN3CCC[C@H](C(=O)[O-])C3)C2)n(C)n1 ZINC001332181974 1266351424 /nfs/dbraw/zinc/35/14/24/1266351424.db2.gz VRGWQTNYIYHNAB-LSDHHAIUSA-N -1 1 363.462 0.610 10 0 FCAEMM Cc1cc(N2CCC[C@H](NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)C2)n(C)n1 ZINC001332181971 1266352272 /nfs/dbraw/zinc/35/22/72/1266352272.db2.gz VRGWQTNYIYHNAB-CABCVRRESA-N -1 1 363.462 0.610 10 0 FCAEMM CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001522182876 1266405210 /nfs/dbraw/zinc/40/52/10/1266405210.db2.gz LNZLMNXIZMDYBZ-AGIUHOORSA-N -1 1 362.430 0.221 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2nn(C3CCOCC3)cc2C)n[n-]1 ZINC001472544935 1261474111 /nfs/dbraw/zinc/47/41/11/1261474111.db2.gz DAIMOTIZUDLSCH-UHFFFAOYSA-N -1 1 362.390 0.768 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2nn(C3CCOCC3)cc2C)n1 ZINC001472544935 1261474114 /nfs/dbraw/zinc/47/41/14/1261474114.db2.gz DAIMOTIZUDLSCH-UHFFFAOYSA-N -1 1 362.390 0.768 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(C)C ZINC001285333664 1261831584 /nfs/dbraw/zinc/83/15/84/1261831584.db2.gz JISRDEBWVJEZPW-GMTAPVOTSA-N -1 1 366.418 0.813 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001287626685 1261963463 /nfs/dbraw/zinc/96/34/63/1261963463.db2.gz SFENAPTYBLGUER-DVVUODLYSA-N -1 1 364.402 0.519 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CNC(=O)C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001290622110 1262478557 /nfs/dbraw/zinc/47/85/57/1262478557.db2.gz VTCZORZAKXMRLD-NEPJUHHUSA-N -1 1 362.430 0.669 10 0 FCAEMM CCCC(=O)NCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001290898533 1262530530 /nfs/dbraw/zinc/53/05/30/1262530530.db2.gz BUBSXTBXICXUHC-CHWSQXEVSA-N -1 1 362.430 0.528 10 0 FCAEMM O=C(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)NCC1CC1 ZINC001292078267 1262640955 /nfs/dbraw/zinc/64/09/55/1262640955.db2.gz CLXMWBRSIGBRHD-MCIONIFRSA-N -1 1 372.425 0.565 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001292087931 1262643529 /nfs/dbraw/zinc/64/35/29/1262643529.db2.gz HWYWBENFMYUDIS-DDQKFYEASA-N -1 1 374.441 0.531 10 0 FCAEMM CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cnncc1O)CC2 ZINC001297663414 1262887023 /nfs/dbraw/zinc/88/70/23/1262887023.db2.gz PJVMXSHUAZYLFL-LLVKDONJSA-N -1 1 358.402 0.509 10 0 FCAEMM C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)CCc3nn[n-]n3)c2)C1=O ZINC001297788891 1262894526 /nfs/dbraw/zinc/89/45/26/1262894526.db2.gz FIAPEJNVURJNAZ-KRWDZBQOSA-N -1 1 369.385 0.996 10 0 FCAEMM C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)CCc3nn[n-]n3)c2)C1=O ZINC001297788892 1262894749 /nfs/dbraw/zinc/89/47/49/1262894749.db2.gz FIAPEJNVURJNAZ-QGZVFWFLSA-N -1 1 369.385 0.996 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CNC(=O)NC2CCCCC2)n[n-]1 ZINC001300601153 1262992000 /nfs/dbraw/zinc/99/20/00/1262992000.db2.gz FEYJATRUPOZMPI-JTQLQIEISA-N -1 1 366.422 0.791 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CNC(=O)NC2CCCCC2)[n-]1 ZINC001300601153 1262992004 /nfs/dbraw/zinc/99/20/04/1262992004.db2.gz FEYJATRUPOZMPI-JTQLQIEISA-N -1 1 366.422 0.791 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CNC(=O)NC2CCCCC2)n1 ZINC001300601153 1262992008 /nfs/dbraw/zinc/99/20/08/1262992008.db2.gz FEYJATRUPOZMPI-JTQLQIEISA-N -1 1 366.422 0.791 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC001301605344 1263012808 /nfs/dbraw/zinc/01/28/08/1263012808.db2.gz JWMZGFWUZJHRIF-NWDGAFQWSA-N -1 1 373.438 0.770 10 0 FCAEMM COC(=O)c1ccn(CCCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)n1 ZINC001301651133 1263013896 /nfs/dbraw/zinc/01/38/96/1263013896.db2.gz XZFLULWMQKBUOO-OAHLLOKOSA-N -1 1 369.385 0.869 10 0 FCAEMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479157966 1263173991 /nfs/dbraw/zinc/17/39/91/1263173991.db2.gz QNMBHWWTYCROGH-ZWNOBZJWSA-N -1 1 368.434 0.212 10 0 FCAEMM C[C@@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC[C@@H]1O ZINC001479158023 1263174077 /nfs/dbraw/zinc/17/40/77/1263174077.db2.gz QTUZZMJCBZFHEL-GUYCJALGSA-N -1 1 350.419 0.995 10 0 FCAEMM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001319903846 1263741244 /nfs/dbraw/zinc/74/12/44/1263741244.db2.gz CQDJGYPOBAPOBG-CQSZACIVSA-N -1 1 354.370 0.986 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c(=O)[n-]1 ZINC001507080035 1264349356 /nfs/dbraw/zinc/34/93/56/1264349356.db2.gz SSEIURREVHOTKM-KYOSRNDESA-N -1 1 360.418 0.620 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2)C(=O)c1ncccc1[O-] ZINC001511520065 1264550526 /nfs/dbraw/zinc/55/05/26/1264550526.db2.gz RVDNSPRFNFZESO-WRSAYESZSA-N -1 1 363.414 0.296 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3OCC(=O)N(C)C)nc2n1 ZINC001324028057 1264563508 /nfs/dbraw/zinc/56/35/08/1264563508.db2.gz XZRDISBUFBJORM-UHFFFAOYSA-N -1 1 370.369 0.445 10 0 FCAEMM O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001324103160 1264576771 /nfs/dbraw/zinc/57/67/71/1264576771.db2.gz OKLOIDUVRUOWOS-GFCCVEGCSA-N -1 1 369.385 0.378 10 0 FCAEMM CC(C)CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001512984601 1264794396 /nfs/dbraw/zinc/79/43/96/1264794396.db2.gz QTOKFOWMOWPUQU-GZBFAFLISA-N -1 1 365.430 0.540 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001513198902 1264956500 /nfs/dbraw/zinc/95/65/00/1264956500.db2.gz DJLCFDLIPVOCHY-ZTSLXXIXSA-N -1 1 358.402 0.351 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001326164533 1265072744 /nfs/dbraw/zinc/07/27/44/1265072744.db2.gz ALGGBFDWGJGZGD-JTQLQIEISA-N -1 1 365.340 0.719 10 0 FCAEMM COCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001327159254 1265242767 /nfs/dbraw/zinc/24/27/67/1265242767.db2.gz IDQAHLYRDBBLCX-XDQVBPFNSA-N -1 1 369.462 0.075 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC001333317796 1266577651 /nfs/dbraw/zinc/57/76/51/1266577651.db2.gz ZYSSJXQUAZUVRT-PMPSAXMXSA-N -1 1 368.478 0.288 10 0 FCAEMM CN1CCN(Cc2ccc(C(=O)NC[C@@H]3CCO[C@@H]3C(=O)[O-])cc2)CC1 ZINC001334205691 1266881647 /nfs/dbraw/zinc/88/16/47/1266881647.db2.gz OAKSAGODCFXGFE-IRXDYDNUSA-N -1 1 361.442 0.654 10 0 FCAEMM C[C@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CC(=O)N1C ZINC001527809941 1266925726 /nfs/dbraw/zinc/92/57/26/1266925726.db2.gz BUWZINVQFVHSFR-QMMMGPOBSA-N -1 1 350.814 0.794 10 0 FCAEMM Cn1nc(Br)cc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001528877938 1267002936 /nfs/dbraw/zinc/00/29/36/1267002936.db2.gz CWYOINITRSHTPC-QMMMGPOBSA-N -1 1 354.212 0.791 10 0 FCAEMM Cc1cc(C(F)(F)F)nc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)n1 ZINC001529414422 1267059238 /nfs/dbraw/zinc/05/92/38/1267059238.db2.gz SNKBVBMDHBZRQB-UHFFFAOYSA-N -1 1 357.296 0.736 10 0 FCAEMM CO[C@@]1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCOC1 ZINC001334951946 1267245347 /nfs/dbraw/zinc/24/53/47/1267245347.db2.gz UPJAIRKKYMFVRB-MRXNPFEDSA-N -1 1 358.341 0.251 10 0 FCAEMM CON1CCC(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001335004525 1267272907 /nfs/dbraw/zinc/27/29/07/1267272907.db2.gz ZWKUPCPSMOZZNY-QGZVFWFLSA-N -1 1 355.435 0.038 10 0 FCAEMM CCOC(=O)c1ccc(N2CCCN(C(=O)CCc3nn[n-]n3)CC2)nc1 ZINC001544006204 1267565779 /nfs/dbraw/zinc/56/57/79/1267565779.db2.gz HXEWRDDCWRQGSA-UHFFFAOYSA-N -1 1 373.417 0.443 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN(CC(F)F)C2)c1 ZINC001546106949 1267635582 /nfs/dbraw/zinc/63/55/82/1267635582.db2.gz SVDHXOQVTUDVPW-VIFPVBQESA-N -1 1 363.386 0.955 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@]12CCC[C@H]1OCC2 ZINC001338562818 1267986646 /nfs/dbraw/zinc/98/66/46/1267986646.db2.gz BTYLMSJWZKWXCQ-WRSAYESZSA-N -1 1 363.414 0.296 10 0 FCAEMM CC[S@](=O)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001339064088 1268160635 /nfs/dbraw/zinc/16/06/35/1268160635.db2.gz VVBKGPFUAQFIMJ-VWLOTQADSA-N -1 1 370.475 0.145 10 0 FCAEMM O=C(CC1CS(=O)(=O)C1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001556125727 1268815472 /nfs/dbraw/zinc/81/54/72/1268815472.db2.gz AMIHWZHMNPLRDC-GFCCVEGCSA-N -1 1 373.797 0.633 10 0 FCAEMM O=C(c1nc(F)ccc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348540 1268847333 /nfs/dbraw/zinc/84/73/33/1268847333.db2.gz PFHXOMDGPWGMLB-UHFFFAOYSA-N -1 1 371.170 0.620 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001556818964 1268898410 /nfs/dbraw/zinc/89/84/10/1268898410.db2.gz ZNOHJMGQDGDZJX-RDTXWAMCSA-N -1 1 361.373 0.253 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001341337742 1268943442 /nfs/dbraw/zinc/94/34/42/1268943442.db2.gz AIYQCWJPPCIPAG-SFGZWBMOSA-N -1 1 362.430 0.882 10 0 FCAEMM COC(=O)[C@@H](NC(=O)CCc1nn[n-]n1)c1ccccc1Br ZINC001557432612 1268946910 /nfs/dbraw/zinc/94/69/10/1268946910.db2.gz CAHFBTUTBRIWEM-LBPRGKRZSA-N -1 1 368.191 0.925 10 0 FCAEMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001557458698 1268948628 /nfs/dbraw/zinc/94/86/28/1268948628.db2.gz ZRYCRMDFPZUGAM-NSHDSACASA-N -1 1 354.366 0.886 10 0 FCAEMM CN(C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)c1nn[n-]n1 ZINC001557695542 1268966268 /nfs/dbraw/zinc/96/62/68/1268966268.db2.gz BLTQNGYKZXWUKX-JTQLQIEISA-N -1 1 352.395 0.579 10 0 FCAEMM COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1=O ZINC001557739679 1268973265 /nfs/dbraw/zinc/97/32/65/1268973265.db2.gz QYYUZLRNINNVBI-CQSZACIVSA-N -1 1 372.381 0.928 10 0 FCAEMM CCN1CCN(c2ccc(NC(=O)c3n[nH]c(=O)[n-]c3=O)cc2F)CC1 ZINC001558055416 1269013991 /nfs/dbraw/zinc/01/39/91/1269013991.db2.gz VIRRCELKWDWYHK-UHFFFAOYSA-N -1 1 362.365 0.816 10 0 FCAEMM Cc1nnnn1-c1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001558049983 1269014371 /nfs/dbraw/zinc/01/43/71/1269014371.db2.gz ZHQPPMYDLANBJR-UHFFFAOYSA-N -1 1 367.369 0.469 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001558162536 1269037723 /nfs/dbraw/zinc/03/77/23/1269037723.db2.gz JZEDYYLCAJRILY-GFCCVEGCSA-N -1 1 370.417 0.523 10 0 FCAEMM C[C@H](Sc1nc(CC(=O)NC2(c3nn[n-]n3)CCC2)cs1)C(N)=O ZINC001558173923 1269044772 /nfs/dbraw/zinc/04/47/72/1269044772.db2.gz ZXLLMPRBUOQQJN-ZETCQYMHSA-N -1 1 367.460 0.360 10 0 FCAEMM CN(C)S(=O)(=O)Cc1ccc(CNC(=O)c2cnncc2[O-])cc1 ZINC001558270658 1269061541 /nfs/dbraw/zinc/06/15/41/1269061541.db2.gz VFIPJGBMJRBPRC-UHFFFAOYSA-N -1 1 350.400 0.504 10 0 FCAEMM CS(=O)(=O)c1ccccc1CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001558345799 1269073021 /nfs/dbraw/zinc/07/30/21/1269073021.db2.gz HZFRBRVDCSWIIE-LBPRGKRZSA-N -1 1 363.443 0.627 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)[n-]c1=O ZINC001558702070 1269132680 /nfs/dbraw/zinc/13/26/80/1269132680.db2.gz KVXAFZHAQFJTFI-LBPRGKRZSA-N -1 1 364.402 0.493 10 0 FCAEMM C[C@@](CO)(NC(=O)CCc1nn[n-]n1)c1cccc(Br)c1 ZINC001558721009 1269134118 /nfs/dbraw/zinc/13/41/18/1269134118.db2.gz PNZWAOXIACTMPZ-ZDUSSCGKSA-N -1 1 354.208 0.919 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C)CCC3(CC2)OCCO3)o1 ZINC001558768660 1269138937 /nfs/dbraw/zinc/13/89/37/1269138937.db2.gz FIYBAVHOULEWKQ-UHFFFAOYSA-N -1 1 358.416 0.993 10 0 FCAEMM CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc(=O)n3[n-]c(N)nc3n2)CC1 ZINC001559519414 1269170545 /nfs/dbraw/zinc/17/05/45/1269170545.db2.gz CCIDQRPKSWPLFM-LLVKDONJSA-N -1 1 361.450 0.373 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)COC[C@H]1CCCO1 ZINC001342376952 1269449593 /nfs/dbraw/zinc/44/95/93/1269449593.db2.gz WFQFUKMYASSUJQ-MGPQQGTHSA-N -1 1 363.414 0.560 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCC2N=NC(=O)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001565251303 1269460507 /nfs/dbraw/zinc/46/05/07/1269460507.db2.gz HOTRPNXAVKGTDQ-SFYZADRCSA-N -1 1 364.328 0.119 10 0 FCAEMM CCc1nc(CN2CCN(C(=O)c3c(C)[nH]c(=O)[n-]c3=S)CC2)no1 ZINC001565614078 1269482618 /nfs/dbraw/zinc/48/26/18/1269482618.db2.gz ZBVTZSWUUPKKGZ-UHFFFAOYSA-N -1 1 364.431 0.683 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC001565777462 1269493026 /nfs/dbraw/zinc/49/30/26/1269493026.db2.gz NJOJUKFKBQGJDA-UHFFFAOYSA-N -1 1 371.445 0.378 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC001565895561 1269508399 /nfs/dbraw/zinc/50/83/99/1269508399.db2.gz YHFQQPJMUXELSO-JTQLQIEISA-N -1 1 365.419 0.205 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])nc2C1 ZINC001566777529 1269664322 /nfs/dbraw/zinc/66/43/22/1269664322.db2.gz CSQAWBURNXKAPW-VIFPVBQESA-N -1 1 366.399 0.450 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])nc2C1 ZINC001566777528 1269664404 /nfs/dbraw/zinc/66/44/04/1269664404.db2.gz CSQAWBURNXKAPW-SECBINFHSA-N -1 1 366.399 0.450 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCCOC(C)C ZINC001342956562 1269700786 /nfs/dbraw/zinc/70/07/86/1269700786.db2.gz XGWUORFHUMSFCV-UKRRQHHQSA-N -1 1 365.430 0.948 10 0 FCAEMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001569608069 1269792596 /nfs/dbraw/zinc/79/25/96/1269792596.db2.gz ZUDIIQQCQCDBME-MKRTWGBSSA-N -1 1 361.446 0.698 10 0 FCAEMM C[C@]1(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)C[C@@H]1c1ccccc1 ZINC001569950832 1269827616 /nfs/dbraw/zinc/82/76/16/1269827616.db2.gz XLMJFKLJYOZKER-KDOFPFPSSA-N -1 1 359.430 0.615 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001573185451 1270645090 /nfs/dbraw/zinc/64/50/90/1270645090.db2.gz GMFCKTDPMIXAFG-QWHCGFSZSA-N -1 1 362.430 0.717 10 0 FCAEMM CCO[C@@H]1CN(C(=O)CCOC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001573208349 1270666780 /nfs/dbraw/zinc/66/67/80/1270666780.db2.gz NPGQTRUAVOPZBV-TZMCWYRMSA-N -1 1 351.403 0.417 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001573272902 1270727226 /nfs/dbraw/zinc/72/72/26/1270727226.db2.gz YMOJLXCIAPNDSE-FRRDWIJNSA-N -1 1 362.430 0.811 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[n-]c1=O ZINC001603345757 1287359824 /nfs/dbraw/zinc/35/98/24/1287359824.db2.gz JYQFGYDZKBXRQT-UTUOFQBUSA-N -1 1 364.402 0.667 10 0 FCAEMM CC(=O)NCc1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001584229161 1282145459 /nfs/dbraw/zinc/14/54/59/1282145459.db2.gz DNYHUKBRJGSDKC-UHFFFAOYSA-N -1 1 356.382 0.470 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)[n-]c1Cl ZINC001584871412 1282179598 /nfs/dbraw/zinc/17/95/98/1282179598.db2.gz HMNOZRXAQCJDRZ-AWEZNQCLSA-N -1 1 371.781 0.899 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2nnn(C)n2)c1 ZINC001632566562 1282186400 /nfs/dbraw/zinc/18/64/00/1282186400.db2.gz KZVOQKJGOXUAMT-UHFFFAOYSA-N -1 1 354.392 0.199 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001585869136 1282248563 /nfs/dbraw/zinc/24/85/63/1282248563.db2.gz CDIGSEUVTXFBAH-LBPRGKRZSA-N -1 1 355.402 0.912 10 0 FCAEMM O=C(c1c[n-]n2c1nccc2=O)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001586139441 1282276920 /nfs/dbraw/zinc/27/69/20/1282276920.db2.gz VOPHTICJEGWGGX-CQSZACIVSA-N -1 1 355.373 0.818 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383136 1282325002 /nfs/dbraw/zinc/32/50/02/1282325002.db2.gz KTQMWHHXALZIBY-HBNTYKKESA-N -1 1 350.375 0.844 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383136 1282325012 /nfs/dbraw/zinc/32/50/12/1282325012.db2.gz KTQMWHHXALZIBY-HBNTYKKESA-N -1 1 350.375 0.844 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H]1CC[C@H]1C(=O)OC ZINC001634383136 1282325021 /nfs/dbraw/zinc/32/50/21/1282325021.db2.gz KTQMWHHXALZIBY-HBNTYKKESA-N -1 1 350.375 0.844 10 0 FCAEMM COC(=O)N1CCC(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001634730985 1282351729 /nfs/dbraw/zinc/35/17/29/1282351729.db2.gz NHSXDDQOLLCZAS-UHFFFAOYSA-N -1 1 365.390 0.285 10 0 FCAEMM CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])C[C@H]1Cc1ccccc1 ZINC001634985967 1282370062 /nfs/dbraw/zinc/37/00/62/1282370062.db2.gz XOKVTBHAEKRWPX-MRXNPFEDSA-N -1 1 368.437 0.902 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c(=O)[n-]1 ZINC001587798482 1282379536 /nfs/dbraw/zinc/37/95/36/1282379536.db2.gz RRSRWZHIYHRZNH-UHFFFAOYSA-N -1 1 351.432 0.878 10 0 FCAEMM C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588027714 1282398462 /nfs/dbraw/zinc/39/84/62/1282398462.db2.gz KGGXVOSYZCAQML-LLVKDONJSA-N -1 1 356.382 0.690 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001635764735 1282431840 /nfs/dbraw/zinc/43/18/40/1282431840.db2.gz KHVRFAWIBPQGNJ-DZGCQCFKSA-N -1 1 356.382 0.949 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3(CO2)CCOCC3)o1 ZINC001635877455 1282439975 /nfs/dbraw/zinc/43/99/75/1282439975.db2.gz BYUYHWMYBNLUKL-NSHDSACASA-N -1 1 358.416 0.503 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322690 1282486460 /nfs/dbraw/zinc/48/64/60/1282486460.db2.gz VZHOMQDWRYIGOL-UHFFFAOYSA-N -1 1 355.354 0.627 10 0 FCAEMM CO[C@](C)(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(=O)OC(C)(C)C ZINC001636327416 1282486687 /nfs/dbraw/zinc/48/66/87/1282486687.db2.gz RGBNGTKLIRUYCD-QGZVFWFLSA-N -1 1 367.402 0.618 10 0 FCAEMM CC(C)N(CCN(C)C(=O)[C@H]1OCCO[C@H]1C)C(=O)c1ncccc1[O-] ZINC001718790901 1287577441 /nfs/dbraw/zinc/57/74/41/1287577441.db2.gz KPFVWJDBIHVPCD-BBRMVZONSA-N -1 1 365.430 0.900 10 0 FCAEMM COCCOCc1ccc(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC001636653559 1282526794 /nfs/dbraw/zinc/52/67/94/1282526794.db2.gz NPDWSGLUQZXWNO-UHFFFAOYSA-N -1 1 363.370 0.989 10 0 FCAEMM Cn1[n-]c(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1=O ZINC001636780196 1282537774 /nfs/dbraw/zinc/53/77/74/1282537774.db2.gz DYEPRILDAQOPPW-YPMHNXCESA-N -1 1 354.370 0.859 10 0 FCAEMM Cn1[n-]c(C(=O)N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1=O ZINC001636780196 1282537784 /nfs/dbraw/zinc/53/77/84/1282537784.db2.gz DYEPRILDAQOPPW-YPMHNXCESA-N -1 1 354.370 0.859 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CCS2(=O)=O ZINC001636976214 1282549709 /nfs/dbraw/zinc/54/97/09/1282549709.db2.gz RGDIKOBVSFWMGN-CSJGVYOVSA-N -1 1 368.411 0.416 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCNC2=O)c1 ZINC001637105494 1282563731 /nfs/dbraw/zinc/56/37/31/1282563731.db2.gz TWLIIENOONQAMQ-MRXNPFEDSA-N -1 1 369.443 0.887 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001637541555 1282603111 /nfs/dbraw/zinc/60/31/11/1282603111.db2.gz MGTABHVLLVLUCA-DOMZBBRYSA-N -1 1 364.446 0.489 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OC)o1 ZINC001637818687 1282627651 /nfs/dbraw/zinc/62/76/51/1282627651.db2.gz NCAGEWQVEOGVIF-VHSXEESVSA-N -1 1 360.388 0.028 10 0 FCAEMM O=C(CCCCO)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637873122 1282630410 /nfs/dbraw/zinc/63/04/10/1282630410.db2.gz HFQPFMGIKQBPGT-UHFFFAOYSA-N -1 1 358.416 0.514 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1CCC(=O)O1 ZINC001637881342 1282630769 /nfs/dbraw/zinc/63/07/69/1282630769.db2.gz FSRNLKBZDSWPHI-CYBMUJFWSA-N -1 1 354.384 0.821 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910363 1282639862 /nfs/dbraw/zinc/63/98/62/1282639862.db2.gz PYFMLBPTLOMOHA-GFCCVEGCSA-N -1 1 362.390 0.839 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910363 1282639868 /nfs/dbraw/zinc/63/98/68/1282639868.db2.gz PYFMLBPTLOMOHA-GFCCVEGCSA-N -1 1 362.390 0.839 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910363 1282639880 /nfs/dbraw/zinc/63/98/80/1282639880.db2.gz PYFMLBPTLOMOHA-GFCCVEGCSA-N -1 1 362.390 0.839 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908886 1282640029 /nfs/dbraw/zinc/64/00/29/1282640029.db2.gz AMAQBKLWQYZOOT-UWVGGRQHSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908886 1282640041 /nfs/dbraw/zinc/64/00/41/1282640041.db2.gz AMAQBKLWQYZOOT-UWVGGRQHSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908886 1282640057 /nfs/dbraw/zinc/64/00/57/1282640057.db2.gz AMAQBKLWQYZOOT-UWVGGRQHSA-N -1 1 356.404 0.222 10 0 FCAEMM O=C(NCCc1nnc2n1CCNC2=O)c1c([O-])cnc2c(F)cccc21 ZINC001638229678 1282677945 /nfs/dbraw/zinc/67/79/45/1282677945.db2.gz ICTLRESECXJHBV-UHFFFAOYSA-N -1 1 370.344 0.387 10 0 FCAEMM CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)C[C@@H]21 ZINC001638321310 1282682592 /nfs/dbraw/zinc/68/25/92/1282682592.db2.gz UGCYUBFFLMQJFQ-GBIKHYSHSA-N -1 1 356.400 0.459 10 0 FCAEMM COC(=O)C1(NC(=O)c2cc(C)cc(C=O)c2[O-])CCS(=O)(=O)CC1 ZINC001639442101 1282788616 /nfs/dbraw/zinc/78/86/16/1282788616.db2.gz SVLKHGFGAGANLS-UHFFFAOYSA-N -1 1 369.395 0.363 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)[n-]c1=O ZINC001640132625 1282841020 /nfs/dbraw/zinc/84/10/20/1282841020.db2.gz RNGOMRDKXPECQL-VWYCJHECSA-N -1 1 357.432 0.924 10 0 FCAEMM CCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001640133777 1282842808 /nfs/dbraw/zinc/84/28/08/1282842808.db2.gz ZJPBHPLWEPAFBB-NSHDSACASA-N -1 1 372.447 0.574 10 0 FCAEMM C[C@@]1(C[C@@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)NC(=O)NC1=O ZINC001640483780 1282865799 /nfs/dbraw/zinc/86/57/99/1282865799.db2.gz SAWMLOXSXHEBHZ-BTDLBPIBSA-N -1 1 359.386 0.652 10 0 FCAEMM C[C@]1(c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)COC(=O)N1 ZINC001589466273 1282884705 /nfs/dbraw/zinc/88/47/05/1282884705.db2.gz JSFLKBSCHLVKKW-QGZVFWFLSA-N -1 1 358.354 0.520 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3[nH]nc4c3COCC4)C2)co1 ZINC001640701120 1282891013 /nfs/dbraw/zinc/89/10/13/1282891013.db2.gz BSKSZRAJQOOXAV-UHFFFAOYSA-N -1 1 366.399 0.223 10 0 FCAEMM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)NN2CC(=O)[N-]C2=O)CCOCC1 ZINC001641141863 1282926412 /nfs/dbraw/zinc/92/64/12/1282926412.db2.gz LQGIPSFERCTNPQ-JTQLQIEISA-N -1 1 370.406 0.279 10 0 FCAEMM CN(C(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1)c1nn[n-]n1 ZINC001642431040 1283006875 /nfs/dbraw/zinc/00/68/75/1283006875.db2.gz OQOHDNAKRAGYQP-UHFFFAOYSA-N -1 1 352.395 0.315 10 0 FCAEMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCC(=O)N1 ZINC001684561893 1284202893 /nfs/dbraw/zinc/20/28/93/1284202893.db2.gz XEWGKKNDJAYTJB-IUUKEHGRSA-N -1 1 360.414 0.471 10 0 FCAEMM CN(CC(=O)NC1(c2nn[n-]n2)CCC1)S(=O)(=O)c1ccccc1 ZINC001593857433 1286220127 /nfs/dbraw/zinc/22/01/27/1286220127.db2.gz WPYOJKIACBOZFY-UHFFFAOYSA-N -1 1 350.404 0.016 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001704406637 1286245160 /nfs/dbraw/zinc/24/51/60/1286245160.db2.gz OREVDXSWADTQAF-MWLCHTKSSA-N -1 1 364.402 0.663 10 0 FCAEMM O=C(Cc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1)NCCO ZINC001595893562 1286268653 /nfs/dbraw/zinc/26/86/53/1286268653.db2.gz RDCDCLUZRXAPAY-UHFFFAOYSA-N -1 1 371.422 0.921 10 0 FCAEMM O=C(c1cccnc1N1CCOCC1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595947646 1286273586 /nfs/dbraw/zinc/27/35/86/1286273586.db2.gz CCJFGARPNYPCGK-CYBMUJFWSA-N -1 1 357.418 0.526 10 0 FCAEMM CC(C)n1cnnc1SCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948173 1286274983 /nfs/dbraw/zinc/27/49/83/1286274983.db2.gz KSMAGOPCOQQKBG-NSHDSACASA-N -1 1 350.452 0.946 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CNC(=O)c3ncccc3[O-])O2)[C@H]1C ZINC001596518126 1286305690 /nfs/dbraw/zinc/30/56/90/1286305690.db2.gz MTDCAXAEKNJRFX-ZVZLLHMNSA-N -1 1 363.414 0.606 10 0 FCAEMM CON(C)C(=O)[C@H](CCSC)NC(=O)c1cnc(SC)[n-]c1=O ZINC001597109579 1286328443 /nfs/dbraw/zinc/32/84/43/1286328443.db2.gz LRXYHFDPXCRUJB-VIFPVBQESA-N -1 1 360.461 0.775 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CONC(=O)OC(C)(C)C)[n-]c1=O ZINC001597282013 1286336011 /nfs/dbraw/zinc/33/60/11/1286336011.db2.gz YBEZGHUIDIYWQB-UHFFFAOYSA-N -1 1 356.379 0.998 10 0 FCAEMM CO[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCOC1 ZINC001597370989 1286340604 /nfs/dbraw/zinc/34/06/04/1286340604.db2.gz JZYKKFXSKFXELY-MEBBXXQBSA-N -1 1 370.427 0.823 10 0 FCAEMM CO[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCOC1 ZINC001597370988 1286341128 /nfs/dbraw/zinc/34/11/28/1286341128.db2.gz JZYKKFXSKFXELY-BONVTDFDSA-N -1 1 370.427 0.823 10 0 FCAEMM CCC(=O)N[C@H](CCSC)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597549025 1286351159 /nfs/dbraw/zinc/35/11/59/1286351159.db2.gz MYVPGETUUOEXAU-LLVKDONJSA-N -1 1 370.475 0.845 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[n-]1 ZINC001597690490 1286355247 /nfs/dbraw/zinc/35/52/47/1286355247.db2.gz NAZMNWYJAQYDFK-JTQLQIEISA-N -1 1 361.358 0.884 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC001597704078 1286357252 /nfs/dbraw/zinc/35/72/52/1286357252.db2.gz KXLUUHBSKCKJLF-INIZCTEOSA-N -1 1 357.410 0.726 10 0 FCAEMM O=C(CCCc1nn[n-]n1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC001598116697 1286379656 /nfs/dbraw/zinc/37/96/56/1286379656.db2.gz PBHBTTRTNWHQSY-AWEZNQCLSA-N -1 1 363.443 0.911 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001705468901 1286399744 /nfs/dbraw/zinc/39/97/44/1286399744.db2.gz GMCKBJAMSBQILF-HNJNHCNJSA-N -1 1 363.414 0.296 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001719167272 1287819284 /nfs/dbraw/zinc/81/92/84/1287819284.db2.gz DNPBDMLAJABAIR-GOLMWGNGSA-N -1 1 364.402 0.829 10 0 FCAEMM COCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001719223966 1287893635 /nfs/dbraw/zinc/89/36/35/1287893635.db2.gz BUCLRGMRMKTAHR-GZBFAFLISA-N -1 1 365.430 0.806 10 0 FCAEMM CC[C@H](F)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736116711 1289156310 /nfs/dbraw/zinc/15/63/10/1289156310.db2.gz UVGUUFQQCLXODT-XQQFMLRXSA-N -1 1 368.409 0.076 10 0 FCAEMM Cc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)CN2CCCC2)c1[O-] ZINC001719502463 1288154606 /nfs/dbraw/zinc/15/46/06/1288154606.db2.gz WXTGQXLZDZYTLI-OCCSQVGLSA-N -1 1 363.462 0.876 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2cn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001719561003 1288181463 /nfs/dbraw/zinc/18/14/63/1288181463.db2.gz CLYKUMPVIVRFPG-QWHCGFSZSA-N -1 1 358.402 0.647 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)c1ncccc1[O-] ZINC001719561003 1288181467 /nfs/dbraw/zinc/18/14/67/1288181467.db2.gz CLYKUMPVIVRFPG-QWHCGFSZSA-N -1 1 358.402 0.647 10 0 FCAEMM COCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001719573030 1288190773 /nfs/dbraw/zinc/19/07/73/1288190773.db2.gz VXWQQWWCZXWJMD-KGLIPLIRSA-N -1 1 363.414 0.371 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCCn2cncn2)CCN1C(=O)c1ncccc1[O-] ZINC001736295086 1289250138 /nfs/dbraw/zinc/25/01/38/1289250138.db2.gz LEFUGUKKQNTIJV-OLZOCXBDSA-N -1 1 358.402 0.578 10 0 FCAEMM CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001736505218 1289403369 /nfs/dbraw/zinc/40/33/69/1289403369.db2.gz AFZKHMBKEGGKNU-WDCWCFNPSA-N -1 1 362.365 0.027 10 0 FCAEMM NC(=O)CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001736607615 1289473034 /nfs/dbraw/zinc/47/30/34/1289473034.db2.gz QLOXIYOQTWTAPY-SGTLLEGYSA-N -1 1 360.414 0.554 10 0 FCAEMM C[C@H](CN(C)C(=O)c1cn(CCO)nc1C1CCOCC1)c1nn[n-]n1 ZINC001611065438 1289626297 /nfs/dbraw/zinc/62/62/97/1289626297.db2.gz PTXIJNCNIHTGTG-LLVKDONJSA-N -1 1 363.422 0.158 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1ncccc1[O-] ZINC001738147932 1289633293 /nfs/dbraw/zinc/63/32/93/1289633293.db2.gz FJJSGWAWAABLFD-RSUWNVLCSA-N -1 1 363.414 0.463 10 0 FCAEMM CNC(=O)N[C@@H]1CCN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC001611253876 1289639492 /nfs/dbraw/zinc/63/94/92/1289639492.db2.gz QCSZOMPLFFPZHX-SNVBAGLBSA-N -1 1 374.397 0.689 10 0 FCAEMM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001611575421 1289658358 /nfs/dbraw/zinc/65/83/58/1289658358.db2.gz BWJITHBMMCRTTK-UHFFFAOYSA-N -1 1 360.342 0.696 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1ncccc1[O-] ZINC001738842713 1289740105 /nfs/dbraw/zinc/74/01/05/1289740105.db2.gz VBVLXAMNQZEWMN-LMOYCYGVSA-N -1 1 363.414 0.415 10 0 FCAEMM Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616143069 1289768897 /nfs/dbraw/zinc/76/88/97/1289768897.db2.gz ZLDBZUAXRKZSEI-MRVPVSSYSA-N -1 1 369.179 0.585 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C[C@@H]1c1ccccc1 ZINC001616141960 1289769005 /nfs/dbraw/zinc/76/90/05/1289769005.db2.gz GGWMUBSTDXBAEB-IIYDPXPESA-N -1 1 357.370 0.447 10 0 FCAEMM Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616143075 1289769680 /nfs/dbraw/zinc/76/96/80/1289769680.db2.gz ZLDBZUAXRKZSEI-QMMMGPOBSA-N -1 1 369.179 0.585 10 0 FCAEMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001616944261 1289803134 /nfs/dbraw/zinc/80/31/34/1289803134.db2.gz AMKOWLFDFRSZBZ-MMWGEVLESA-N -1 1 357.461 0.172 10 0 FCAEMM CSCC[C@@H](C(=O)N(C)c1nn[nH]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001617641941 1289853459 /nfs/dbraw/zinc/85/34/59/1289853459.db2.gz HVJCNCCDMXOKPA-AXFHLTTASA-N -1 1 366.447 0.459 10 0 FCAEMM CSCC[C@@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001617641941 1289853473 /nfs/dbraw/zinc/85/34/73/1289853473.db2.gz HVJCNCCDMXOKPA-AXFHLTTASA-N -1 1 366.447 0.459 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)n[n-]1 ZINC001618278134 1289896312 /nfs/dbraw/zinc/89/63/12/1289896312.db2.gz MZJBQLZQBZNPKY-QWRGUYRKSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)[n-]1 ZINC001618278134 1289896326 /nfs/dbraw/zinc/89/63/26/1289896326.db2.gz MZJBQLZQBZNPKY-QWRGUYRKSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2OCCN(C)C2=O)n1 ZINC001618278134 1289896338 /nfs/dbraw/zinc/89/63/38/1289896338.db2.gz MZJBQLZQBZNPKY-QWRGUYRKSA-N -1 1 367.406 0.042 10 0 FCAEMM CCO[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001739411950 1289932134 /nfs/dbraw/zinc/93/21/34/1289932134.db2.gz LZKZAUDIDOEERW-KYOSRNDESA-N -1 1 351.403 0.150 10 0 FCAEMM COCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001702304294 1289997744 /nfs/dbraw/zinc/99/77/44/1289997744.db2.gz XMOCFKFXNCCEKV-YRGRVCCFSA-N -1 1 351.403 0.415 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001620739839 1290020902 /nfs/dbraw/zinc/02/09/02/1290020902.db2.gz IANOVETZKZZLJA-GMSGAONNSA-N -1 1 362.415 0.437 10 0 FCAEMM CCC[C@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001621661506 1290048599 /nfs/dbraw/zinc/04/85/99/1290048599.db2.gz UFGNFNXBDGFHMP-JTQLQIEISA-N -1 1 354.411 0.529 10 0 FCAEMM COc1cc(OC)cc([C@H](NC(=O)CCc2nn[n-]n2)c2nccn2C)c1 ZINC001623772308 1290237586 /nfs/dbraw/zinc/23/75/86/1290237586.db2.gz WKZDZVLPVNWGHG-INIZCTEOSA-N -1 1 371.401 0.789 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001624277383 1290262466 /nfs/dbraw/zinc/26/24/66/1290262466.db2.gz MSKSVOKPMHFBHN-RISCZKNCSA-N -1 1 359.386 0.287 10 0 FCAEMM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC001624668754 1290285733 /nfs/dbraw/zinc/28/57/33/1290285733.db2.gz ZDVYNAYJULTRGP-LLVKDONJSA-N -1 1 366.447 0.634 10 0 FCAEMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739650305 1290298192 /nfs/dbraw/zinc/29/81/92/1290298192.db2.gz SHZQSASDXZYTRJ-KYOSRNDESA-N -1 1 359.382 0.561 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001624976559 1290311326 /nfs/dbraw/zinc/31/13/26/1290311326.db2.gz PWJKTNDGDCTJGD-XYPYZODXSA-N -1 1 352.416 0.286 10 0 FCAEMM C[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001625223455 1290328358 /nfs/dbraw/zinc/32/83/58/1290328358.db2.gz SAKLAYMPCJGUAQ-JTQLQIEISA-N -1 1 352.420 0.260 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001625698332 1290361265 /nfs/dbraw/zinc/36/12/65/1290361265.db2.gz WJHMLDMJTFLJGT-LJQANCHMSA-N -1 1 366.377 0.639 10 0 FCAEMM COC(=O)[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(Br)cc1 ZINC001626222744 1290382846 /nfs/dbraw/zinc/38/28/46/1290382846.db2.gz DWOFRQFYRXLRHV-GFCCVEGCSA-N -1 1 368.191 0.925 10 0 FCAEMM CON(C)C(=O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001626787752 1290417694 /nfs/dbraw/zinc/41/76/94/1290417694.db2.gz BMBPHAJECMFXNJ-UHFFFAOYSA-N -1 1 359.386 0.621 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC001626841244 1290419979 /nfs/dbraw/zinc/41/99/79/1290419979.db2.gz OROIFXXCOQLLDF-LLVKDONJSA-N -1 1 368.393 0.913 10 0 FCAEMM COc1ccc(CN2CC[C@@H](NC(=O)CCc3nn[n-]n3)C2=O)c(OC)c1 ZINC001627052684 1290434315 /nfs/dbraw/zinc/43/43/15/1290434315.db2.gz TXYUHQZYRUOPED-CYBMUJFWSA-N -1 1 374.401 0.067 10 0 FCAEMM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001627165363 1290442775 /nfs/dbraw/zinc/44/27/75/1290442775.db2.gz BLOFRVIHWCCLEO-GHMZBOCLSA-N -1 1 370.410 0.029 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C2N=NC(=S)N2C)CC1 ZINC001627298399 1290454210 /nfs/dbraw/zinc/45/42/10/1290454210.db2.gz MOAOIUKSDKZVKT-UHFFFAOYSA-N -1 1 366.403 0.333 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC001627533895 1290469747 /nfs/dbraw/zinc/46/97/47/1290469747.db2.gz SKDLUOIDAQULEA-OAHLLOKOSA-N -1 1 369.385 0.762 10 0 FCAEMM CSc1nc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cc(=O)[n-]1 ZINC001627728183 1290481143 /nfs/dbraw/zinc/48/11/43/1290481143.db2.gz RNGNIOLSQFYTIQ-UHFFFAOYSA-N -1 1 353.404 0.195 10 0 FCAEMM CCC(CC)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001740086411 1290485163 /nfs/dbraw/zinc/48/51/63/1290485163.db2.gz RVNMSZLFWUCSCC-OCCSQVGLSA-N -1 1 364.446 0.469 10 0 FCAEMM CC(C)c1nc([C@H](CO)NC(=O)CCn2cc[n-]c(=O)c2=O)cs1 ZINC001627950467 1290497935 /nfs/dbraw/zinc/49/79/35/1290497935.db2.gz GAYWGMPPAKHDJK-JTQLQIEISA-N -1 1 352.416 0.356 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)CCCCO ZINC001628132542 1290510898 /nfs/dbraw/zinc/51/08/98/1290510898.db2.gz HANDBYNMZANJOI-ZDUSSCGKSA-N -1 1 366.462 0.927 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)n[n-]1 ZINC001629028808 1290570210 /nfs/dbraw/zinc/57/02/10/1290570210.db2.gz FMHPACGPXLSXIA-OUAUKWLOSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)[n-]1 ZINC001629028808 1290570217 /nfs/dbraw/zinc/57/02/17/1290570217.db2.gz FMHPACGPXLSXIA-OUAUKWLOSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)n1 ZINC001629028808 1290570219 /nfs/dbraw/zinc/57/02/19/1290570219.db2.gz FMHPACGPXLSXIA-OUAUKWLOSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)n[n-]1 ZINC001629028807 1290570233 /nfs/dbraw/zinc/57/02/33/1290570233.db2.gz FMHPACGPXLSXIA-GARJFASQSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)[n-]1 ZINC001629028807 1290570240 /nfs/dbraw/zinc/57/02/40/1290570240.db2.gz FMHPACGPXLSXIA-GARJFASQSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)n1 ZINC001629028807 1290570242 /nfs/dbraw/zinc/57/02/42/1290570242.db2.gz FMHPACGPXLSXIA-GARJFASQSA-N -1 1 368.390 0.659 10 0 FCAEMM CCOc1ccccc1C(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001630342900 1290661360 /nfs/dbraw/zinc/66/13/60/1290661360.db2.gz RNVJGEUQPTZLAF-UHFFFAOYSA-N -1 1 358.402 0.516 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)nn(C)c2N2CCC2)co1 ZINC001630879412 1290707720 /nfs/dbraw/zinc/70/77/20/1290707720.db2.gz GEEKKWJFKMQVIB-UHFFFAOYSA-N -1 1 353.404 0.692 10 0 FCAEMM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CCCc1nn[n-]n1 ZINC001631135277 1290715642 /nfs/dbraw/zinc/71/56/42/1290715642.db2.gz UBUNRCYLATXJKW-ZDUSSCGKSA-N -1 1 360.418 0.987 10 0 FCAEMM Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCOC[C@H]3c3nn[n-]n3)C2=O)c1 ZINC001631568727 1290739833 /nfs/dbraw/zinc/73/98/33/1290739833.db2.gz KVSXVLFSQXSZFL-GJZGRUSLSA-N -1 1 370.413 0.770 10 0 FCAEMM Cn1nc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c2ccccc2c1=O ZINC001643240807 1290863569 /nfs/dbraw/zinc/86/35/69/1290863569.db2.gz DFZPAANBVKEJAV-UHFFFAOYSA-N -1 1 367.365 0.432 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCC(=O)N=S(C)(C)=O)c(=O)[n-]1 ZINC001643307673 1290873968 /nfs/dbraw/zinc/87/39/68/1290873968.db2.gz IOPFVJGJMWEKFU-UHFFFAOYSA-N -1 1 360.461 0.516 10 0 FCAEMM COc1ccccc1-c1nnc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)o1 ZINC001643387131 1290880318 /nfs/dbraw/zinc/88/03/18/1290880318.db2.gz MPXSRIHVFJXDJY-JTQLQIEISA-N -1 1 355.358 0.817 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC[C@H](c3nn[n-]n3)C1)C2=O ZINC001643386642 1290881600 /nfs/dbraw/zinc/88/16/00/1290881600.db2.gz GUHOINWFJRKXNE-MNOVXSKESA-N -1 1 354.370 0.509 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001643824241 1290917847 /nfs/dbraw/zinc/91/78/47/1290917847.db2.gz VMZDMJJIBZYOMW-UHFFFAOYSA-N -1 1 368.438 0.820 10 0 FCAEMM CC(C)n1ncc2cc(C=CC(=O)N3CC[C@@H](c4nn[n-]n4)C3)c(=O)[nH]c21 ZINC001644299989 1290953849 /nfs/dbraw/zinc/95/38/49/1290953849.db2.gz UQKDOAIRUBBOQP-VSQXVHSFSA-N -1 1 368.401 0.848 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(CC(F)F)C2)co1 ZINC001644357531 1290958026 /nfs/dbraw/zinc/95/80/26/1290958026.db2.gz ACXOWWHVOXPTOG-SECBINFHSA-N -1 1 351.375 0.505 10 0 FCAEMM O=C(Cn1cc(C(=O)NC2(c3nn[n-]n3)CCC2)cn1)NC1CCCC1 ZINC001644748788 1290980683 /nfs/dbraw/zinc/98/06/83/1290980683.db2.gz YNGBFYHGMXQCNL-UHFFFAOYSA-N -1 1 358.406 0.264 10 0 FCAEMM COc1ccc(-n2nnc(C(=O)NC3(c4nn[n-]n4)CCC3)c2C)cc1 ZINC001644748568 1290981116 /nfs/dbraw/zinc/98/11/16/1290981116.db2.gz OLOGSXYPSJPRTR-UHFFFAOYSA-N -1 1 354.374 0.907 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](CO)[C@H]1CO ZINC001645090721 1291004077 /nfs/dbraw/zinc/00/40/77/1291004077.db2.gz BGTYCTBUCYWNBD-GOEBONIOSA-N -1 1 372.425 0.687 10 0 FCAEMM CSCC[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1nn[n-]n1 ZINC001646037441 1291056119 /nfs/dbraw/zinc/05/61/19/1291056119.db2.gz QZPBGOCNQCVBRW-VIFPVBQESA-N -1 1 369.451 0.221 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)[n-]c1=O ZINC001646345809 1291064361 /nfs/dbraw/zinc/06/43/61/1291064361.db2.gz MHNRISIRJKYUBB-GFCCVEGCSA-N -1 1 374.401 0.777 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CCc3nnnn3CC2)[n-]c1=O ZINC001648405542 1291119523 /nfs/dbraw/zinc/11/95/23/1291119523.db2.gz GOXLJQFXHGKSAF-QWRGUYRKSA-N -1 1 359.390 0.494 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CCc3nnnn3CC2)[n-]c1=O ZINC001648405543 1291119811 /nfs/dbraw/zinc/11/98/11/1291119811.db2.gz GOXLJQFXHGKSAF-WDEREUQCSA-N -1 1 359.390 0.494 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCOC[C@H]1c1nn[n-]n1)C2=O ZINC001648468949 1291123921 /nfs/dbraw/zinc/12/39/21/1291123921.db2.gz SJEPPWPZVXKXOZ-GWCFXTLKSA-N -1 1 370.369 0.093 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001651180186 1291202328 /nfs/dbraw/zinc/20/23/28/1291202328.db2.gz BZZFVYNFDAFALP-UHFFFAOYSA-N -1 1 366.447 0.505 10 0 FCAEMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)N[C@@H]1CCS(=O)(=O)C1 ZINC001652873893 1291306958 /nfs/dbraw/zinc/30/69/58/1291306958.db2.gz VMBKIZBHFYISEE-ZCFIWIBFSA-N -1 1 353.372 0.515 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001654197872 1291397288 /nfs/dbraw/zinc/39/72/88/1291397288.db2.gz HXAAWIZXXUMOEK-SECBINFHSA-N -1 1 368.143 0.114 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001654197873 1291398427 /nfs/dbraw/zinc/39/84/27/1291398427.db2.gz HXAAWIZXXUMOEK-VIFPVBQESA-N -1 1 368.143 0.114 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1Cc2ccccc2NC1=O ZINC001675456329 1292177346 /nfs/dbraw/zinc/17/73/46/1292177346.db2.gz DPZJVFQIARZVTE-CQSZACIVSA-N -1 1 369.381 0.618 10 0 FCAEMM CCC[C@@]1(CO)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456873 1292177550 /nfs/dbraw/zinc/17/75/50/1292177550.db2.gz STBPIGHPQKUPLK-QGZVFWFLSA-N -1 1 350.419 0.949 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@H](Nc2ncccn2)C1 ZINC001684869262 1292347094 /nfs/dbraw/zinc/34/70/94/1292347094.db2.gz NNBCKDCGBRXQSQ-NSHDSACASA-N -1 1 371.401 0.441 10 0 FCAEMM O=C(NCC[C@H]1CCCS1(=O)=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869143 1292347192 /nfs/dbraw/zinc/34/71/92/1292347192.db2.gz NBMRHLPXWZFNCW-SNVBAGLBSA-N -1 1 370.431 0.021 10 0 FCAEMM O=C(NCC[C@@H]1CCCS1(=O)=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869142 1292347279 /nfs/dbraw/zinc/34/72/79/1292347279.db2.gz NBMRHLPXWZFNCW-JTQLQIEISA-N -1 1 370.431 0.021 10 0 FCAEMM CCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001685523310 1292548970 /nfs/dbraw/zinc/54/89/70/1292548970.db2.gz ZNYNRUMANVFJSA-XIKOKIGWSA-N -1 1 360.414 0.234 10 0 FCAEMM C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001685840613 1292654679 /nfs/dbraw/zinc/65/46/79/1292654679.db2.gz HVSHBFRHPROEPA-CHWSQXEVSA-N -1 1 362.430 0.480 10 0 FCAEMM Cn1cc(/C=C\C(=O)Nc2ccc3nc([S-])[nH]c3c2)c(=O)n(C)c1=O ZINC000588413601 836090255 /nfs/dbraw/zinc/09/02/55/836090255.db2.gz CNFNMFMZVVSPTO-UTCJRWHESA-N -1 1 357.395 0.901 10 0 FCAEMM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000698895459 836099207 /nfs/dbraw/zinc/09/92/07/836099207.db2.gz FIBABAKFEIDXRI-LURJTMIESA-N -1 1 354.613 0.664 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001116663776 846729462 /nfs/dbraw/zinc/72/94/62/846729462.db2.gz RTTXPNCLMUMPAV-GXTWGEPZSA-N -1 1 372.447 0.062 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ncnn1CCF ZINC001118569443 847482466 /nfs/dbraw/zinc/48/24/66/847482466.db2.gz WPAXMCHAONUDSC-SCZZXKLOSA-N -1 1 367.303 0.344 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3csc(-c4cnn(C)c4)n3)nc2n1 ZINC001118780345 847580010 /nfs/dbraw/zinc/58/00/10/847580010.db2.gz WYPGELPGOVFGFJ-UHFFFAOYSA-N -1 1 356.371 0.835 10 0 FCAEMM C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001119536667 847879140 /nfs/dbraw/zinc/87/91/40/847879140.db2.gz BTEOTEGZSTUMDW-SCVCMEIPSA-N -1 1 365.352 0.451 10 0 FCAEMM C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001119536667 847879141 /nfs/dbraw/zinc/87/91/41/847879141.db2.gz BTEOTEGZSTUMDW-SCVCMEIPSA-N -1 1 365.352 0.451 10 0 FCAEMM Cc1n[nH]c(C)c1CCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001119577816 847894966 /nfs/dbraw/zinc/89/49/66/847894966.db2.gz RFVSOJRVTDHYAJ-QGZVFWFLSA-N -1 1 350.419 0.347 10 0 FCAEMM O=C([O-])CN(C(=O)N[C@H]1CCCN2CCSC[C@H]12)C1CCOCC1 ZINC001119715386 847950587 /nfs/dbraw/zinc/95/05/87/847950587.db2.gz UEUUARWUIGBWAK-UONOGXRCSA-N -1 1 357.476 0.841 10 0 FCAEMM O=C([O-])[C@H]1CCCN(CC(=O)N2CC3(CCOCC3)CC[C@H]2CO)C1 ZINC001123298325 848583920 /nfs/dbraw/zinc/58/39/20/848583920.db2.gz UUKHBGVZARGPAP-GJZGRUSLSA-N -1 1 354.447 0.563 10 0 FCAEMM COCCN1C[C@@H](C(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)CC1=O ZINC001133459144 849152835 /nfs/dbraw/zinc/15/28/35/849152835.db2.gz BPLJNHWTFUUUQQ-JTQLQIEISA-N -1 1 351.359 0.437 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)[C@@H](C)C1 ZINC001137882255 849288523 /nfs/dbraw/zinc/28/85/23/849288523.db2.gz PIGURDBMELLIPG-JTQLQIEISA-N -1 1 354.432 0.614 10 0 FCAEMM O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138990805 849323489 /nfs/dbraw/zinc/32/34/89/849323489.db2.gz AFYOKPKGNHEJNX-VIFPVBQESA-N -1 1 359.312 0.400 10 0 FCAEMM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001163585509 850374801 /nfs/dbraw/zinc/37/48/01/850374801.db2.gz LKJHXSPOUUHTLT-GXFFZTMASA-N -1 1 353.350 0.267 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc(Br)nn2C)n[n-]1 ZINC001166128077 850462307 /nfs/dbraw/zinc/46/23/07/850462307.db2.gz XSBPNDMIRZVCIW-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cc(Br)nn2C)[n-]1 ZINC001166128077 850462313 /nfs/dbraw/zinc/46/23/13/850462313.db2.gz XSBPNDMIRZVCIW-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cc(Br)nn2C)n1 ZINC001166128077 850462317 /nfs/dbraw/zinc/46/23/17/850462317.db2.gz XSBPNDMIRZVCIW-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)o1 ZINC001177866948 850874352 /nfs/dbraw/zinc/87/43/52/850874352.db2.gz UKQJPVGUEYGKCJ-SNVBAGLBSA-N -1 1 368.419 0.138 10 0 FCAEMM CCOC(=O)[C@@](C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)CC(C)C ZINC001178568946 850907837 /nfs/dbraw/zinc/90/78/37/850907837.db2.gz HJGJZKQXJMIGQV-QGZVFWFLSA-N -1 1 353.419 0.658 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CCCCS2(=O)=O)[n-]c1=O ZINC001180059816 851011422 /nfs/dbraw/zinc/01/14/22/851011422.db2.gz JWFFCJYLHRXNDP-JQWIXIFHSA-N -1 1 355.416 0.822 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2(c3ccc4c(c3)OCCO4)CC2)n1 ZINC001182523681 851177944 /nfs/dbraw/zinc/17/79/44/851177944.db2.gz BUOGQFVRNNFJCA-UHFFFAOYSA-N -1 1 364.383 0.650 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2(c3ccc4c(c3)OCCO4)CC2)[n-]1 ZINC001182523681 851177948 /nfs/dbraw/zinc/17/79/48/851177948.db2.gz BUOGQFVRNNFJCA-UHFFFAOYSA-N -1 1 364.383 0.650 10 0 FCAEMM CCOCCOCCN(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254487784 857974905 /nfs/dbraw/zinc/97/49/05/857974905.db2.gz DSEUVMBIIBNOAL-UHFFFAOYSA-N -1 1 354.407 0.449 10 0 FCAEMM COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001255248966 858003135 /nfs/dbraw/zinc/00/31/35/858003135.db2.gz AUUYUXWVEMJZDL-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C[C@H]3CCC4(CCOCC4)O3)CC2)CCOC1 ZINC001262156997 858802468 /nfs/dbraw/zinc/80/24/68/858802468.db2.gz MTKRMZJMJZBZPG-CRAIPNDOSA-N -1 1 354.447 0.576 10 0 FCAEMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001263928139 859245446 /nfs/dbraw/zinc/24/54/46/859245446.db2.gz LPQLLRSKEUQKPN-LBPRGKRZSA-N -1 1 350.385 0.148 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC(C)(C)COC)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264614132 859400797 /nfs/dbraw/zinc/40/07/97/859400797.db2.gz MOXAMTSOJTYVSW-QWHCGFSZSA-N -1 1 353.467 0.640 10 0 FCAEMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271277805 859930208 /nfs/dbraw/zinc/93/02/08/859930208.db2.gz IUTGYICHNUJKBZ-SFDCQRBFSA-N -1 1 351.451 0.946 10 0 FCAEMM CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001284425193 864562795 /nfs/dbraw/zinc/56/27/95/864562795.db2.gz NKNNZSFTWOPRNK-SDDRHHMPSA-N -1 1 351.432 0.284 10 0 FCAEMM CCOC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001290970561 865574378 /nfs/dbraw/zinc/57/43/78/865574378.db2.gz YSRUPDBHUMNGIV-NSHDSACASA-N -1 1 350.375 0.254 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)co1 ZINC001296365760 865963772 /nfs/dbraw/zinc/96/37/72/865963772.db2.gz BOALLDANOPJVSH-ZDUSSCGKSA-N -1 1 365.411 0.275 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)C1CC1 ZINC001296955731 865997582 /nfs/dbraw/zinc/99/75/82/865997582.db2.gz HWJIWXAVRCWAOZ-LLVKDONJSA-N -1 1 351.407 0.378 10 0 FCAEMM CNS(=O)(=O)NC1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001297288271 866021269 /nfs/dbraw/zinc/02/12/69/866021269.db2.gz SWWVBUJGSDSFCS-UHFFFAOYSA-N -1 1 355.416 0.172 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC001297937324 866069409 /nfs/dbraw/zinc/06/94/09/866069409.db2.gz JCKMOTYAKMCTDM-QWRGUYRKSA-N -1 1 352.441 0.810 10 0 FCAEMM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@H](Cc3nn[n-]n3)C1)CS2 ZINC001349214204 866265897 /nfs/dbraw/zinc/26/58/97/866265897.db2.gz RLLFZSBWEOZIMS-HFAKWTLXSA-N -1 1 350.448 0.435 10 0 FCAEMM CC(C)(C)OC(=O)NOCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302843051 866360203 /nfs/dbraw/zinc/36/02/03/866360203.db2.gz WBRUYNFGUYJFHJ-UHFFFAOYSA-N -1 1 354.363 0.327 10 0 FCAEMM CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCc3nn[n-]n3)C2)C1 ZINC001303142272 866384935 /nfs/dbraw/zinc/38/49/35/866384935.db2.gz OMYBFJHNKQNMPN-UHFFFAOYSA-N -1 1 350.423 0.992 10 0 FCAEMM Cc1ccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)cc1S(N)(=O)=O ZINC001303199845 866388483 /nfs/dbraw/zinc/38/84/83/866388483.db2.gz RQHMSDSVGURSGE-UHFFFAOYSA-N -1 1 352.420 0.454 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)c3n[nH]cc3C(F)(F)F)CC2)CCOC1 ZINC001350779225 866685544 /nfs/dbraw/zinc/68/55/44/866685544.db2.gz ZEGWCGSEECJYPC-ZDUSSCGKSA-N -1 1 362.308 0.430 10 0 FCAEMM CN(C[C@H]1COCCO1)c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001351334476 866835974 /nfs/dbraw/zinc/83/59/74/866835974.db2.gz YIYOTEARMMURHF-JTQLQIEISA-N -1 1 353.814 0.978 10 0 FCAEMM Cc1csc(CCC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001354031416 867537046 /nfs/dbraw/zinc/53/70/46/867537046.db2.gz NLDIVTXJRKCWCC-MRXNPFEDSA-N -1 1 353.444 0.772 10 0 FCAEMM COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001320568332 868204316 /nfs/dbraw/zinc/20/43/16/868204316.db2.gz SLEZQOZEPXTJLV-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC(C)(C)[C@H](C)O ZINC001320840545 868294191 /nfs/dbraw/zinc/29/41/91/868294191.db2.gz TVEFLTRSKIULCM-LBPRGKRZSA-N -1 1 352.435 0.535 10 0 FCAEMM O=C(Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NN1CC(=O)[N-]C1=O ZINC001322981399 869012703 /nfs/dbraw/zinc/01/27/03/869012703.db2.gz ORBUZXHXVAFYTD-UHFFFAOYSA-N -1 1 363.330 0.471 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001324191369 869502534 /nfs/dbraw/zinc/50/25/34/869502534.db2.gz HABXYTAPWXGUBG-GFCCVEGCSA-N -1 1 369.399 0.751 10 0 FCAEMM O=C(N[C@@H]1C[C@H]1C1CC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001324837323 869689056 /nfs/dbraw/zinc/68/90/56/869689056.db2.gz GFOGIMNCGCYLKV-NWDGAFQWSA-N -1 1 361.364 0.818 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCOCCCO)c(F)cc1Cl ZINC001325873728 870070455 /nfs/dbraw/zinc/07/04/55/870070455.db2.gz GRZFZMBHBAITPZ-UHFFFAOYSA-N -1 1 369.798 0.943 10 0 FCAEMM C[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001326983440 870603891 /nfs/dbraw/zinc/60/38/91/870603891.db2.gz CGRBUMKWMWFWEI-MFKMUULPSA-N -1 1 355.416 0.315 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nnn[n-]2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001344588407 870946168 /nfs/dbraw/zinc/94/61/68/870946168.db2.gz WIBRMESWWXTADH-WOPDTQHZSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nn[n-]n2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001344588407 870946176 /nfs/dbraw/zinc/94/61/76/870946176.db2.gz WIBRMESWWXTADH-WOPDTQHZSA-N -1 1 362.463 0.827 10 0 FCAEMM C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001328043131 871195403 /nfs/dbraw/zinc/19/54/03/871195403.db2.gz FPEQCPNOIPYXSQ-MNOVXSKESA-N -1 1 354.407 0.345 10 0 FCAEMM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001347671907 872445508 /nfs/dbraw/zinc/44/55/08/872445508.db2.gz MPGJJMRICOOXBA-ZJUUUORDSA-N -1 1 360.340 0.392 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c(Br)n1 ZINC001331933776 873308665 /nfs/dbraw/zinc/30/86/65/873308665.db2.gz CQBDREHYOONCOB-RXMQYKEDSA-N -1 1 366.159 0.774 10 0 FCAEMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001332474174 873523632 /nfs/dbraw/zinc/52/36/32/873523632.db2.gz OZQMLYHUUFGTTO-DGAVXFQQSA-N -1 1 357.476 0.888 10 0 FCAEMM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293807310 214202428 /nfs/dbraw/zinc/20/24/28/214202428.db2.gz CHBIZYIBZOLSOT-CYBMUJFWSA-N -1 1 353.382 0.819 10 0 FCAEMM CNC(=O)COc1cccc(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000294414563 214244033 /nfs/dbraw/zinc/24/40/33/214244033.db2.gz OCMHSNPVZOFICO-ZDUSSCGKSA-N -1 1 373.413 0.172 10 0 FCAEMM COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1nc(=O)[n-][nH]1 ZINC000295264374 214288057 /nfs/dbraw/zinc/28/80/57/214288057.db2.gz RPIPMWHZKBTNQZ-NSHDSACASA-N -1 1 367.203 0.960 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000360955949 215375929 /nfs/dbraw/zinc/37/59/29/215375929.db2.gz CHUGDTRWYRYGFD-CYBMUJFWSA-N -1 1 371.459 0.515 10 0 FCAEMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000284991750 213262688 /nfs/dbraw/zinc/26/26/88/213262688.db2.gz MTBFIAWFGYLAKV-HOTGVXAUSA-N -1 1 367.471 0.912 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366711223 216020024 /nfs/dbraw/zinc/02/00/24/216020024.db2.gz QXYHWWXTWMZGET-QWHCGFSZSA-N -1 1 364.475 0.997 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)co1 ZINC000366739463 216024647 /nfs/dbraw/zinc/02/46/47/216024647.db2.gz OPMCNYRMBXUMPF-FRRDWIJNSA-N -1 1 358.416 0.596 10 0 FCAEMM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000276872063 212300969 /nfs/dbraw/zinc/30/09/69/212300969.db2.gz BESDPHXLZUPAQF-MRVPVSSYSA-N -1 1 357.215 0.979 10 0 FCAEMM CCN1CCN(c2ccccc2NC(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000188115755 209223374 /nfs/dbraw/zinc/22/33/74/209223374.db2.gz VCMHDVLYSDHXOU-UHFFFAOYSA-N -1 1 362.459 0.971 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])C1 ZINC000424267902 247193741 /nfs/dbraw/zinc/19/37/41/247193741.db2.gz KSHZZHKYPJUWRV-INMHGKMJSA-N -1 1 355.479 0.645 10 0 FCAEMM Cc1cc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)n2ncnc2n1 ZINC000437001931 248056709 /nfs/dbraw/zinc/05/67/09/248056709.db2.gz FOALQLRZVOQRSU-UHFFFAOYSA-N -1 1 366.381 0.670 10 0 FCAEMM C[C@@H]1CCN(c2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccn2)C1 ZINC000438936155 248102646 /nfs/dbraw/zinc/10/26/46/248102646.db2.gz LOJASWQGCNYGJH-SECBINFHSA-N -1 1 350.404 0.702 10 0 FCAEMM C[C@@H]1CCN(c2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccn2)C1 ZINC000438936155 248102649 /nfs/dbraw/zinc/10/26/49/248102649.db2.gz LOJASWQGCNYGJH-SECBINFHSA-N -1 1 350.404 0.702 10 0 FCAEMM CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442857079 248298908 /nfs/dbraw/zinc/29/89/08/248298908.db2.gz DZODZPUSOFFAJQ-UHFFFAOYSA-N -1 1 355.822 0.948 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccsc2)c1 ZINC000470396084 250041939 /nfs/dbraw/zinc/04/19/39/250041939.db2.gz BZGYUMARDCEUEW-UHFFFAOYSA-N -1 1 355.397 0.470 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000470971272 250083278 /nfs/dbraw/zinc/08/32/78/250083278.db2.gz ZGTCVETZFWDUMR-UHFFFAOYSA-N -1 1 350.404 0.225 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(OC)cc1OC ZINC000472616785 250167089 /nfs/dbraw/zinc/16/70/89/250167089.db2.gz FHYLOTAVYGDZGA-ABAIWWIYSA-N -1 1 373.427 0.874 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000473201777 250207643 /nfs/dbraw/zinc/20/76/43/250207643.db2.gz ULKRDJKBWUIVRB-UHFFFAOYSA-N -1 1 365.415 0.926 10 0 FCAEMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1=O ZINC000473713925 250247967 /nfs/dbraw/zinc/24/79/67/250247967.db2.gz HVUGJTSFFNYVCO-IUODEOHRSA-N -1 1 357.370 0.280 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)co1 ZINC000130404949 208535567 /nfs/dbraw/zinc/53/55/67/208535567.db2.gz WXWYLLFSHULAEV-LLVKDONJSA-N -1 1 368.415 0.974 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000409803732 533403956 /nfs/dbraw/zinc/40/39/56/533403956.db2.gz ZKJDFGMQCQCSAY-ONGXEEELSA-N -1 1 368.427 0.961 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000409790251 533407767 /nfs/dbraw/zinc/40/77/67/533407767.db2.gz ICGHBBNFBJSGBD-SKDRFNHKSA-N -1 1 368.427 0.961 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(=O)Nc1ccn(C)n1 ZINC000614040973 484462949 /nfs/dbraw/zinc/46/29/49/484462949.db2.gz DLVPXDDAJFYXSC-UHFFFAOYSA-N -1 1 357.374 0.083 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c(Br)n1C ZINC000288140287 488948693 /nfs/dbraw/zinc/94/86/93/488948693.db2.gz NEGNTDCZHZJQQU-RKDXNWHRSA-N -1 1 352.254 0.930 10 0 FCAEMM CS(=O)(=O)N1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000067554802 488353052 /nfs/dbraw/zinc/35/30/52/488353052.db2.gz HRHVHXFGYBEYNO-JTQLQIEISA-N -1 1 350.400 0.077 10 0 FCAEMM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000188734713 488413077 /nfs/dbraw/zinc/41/30/77/488413077.db2.gz JBRGZGCKEIVGSX-UHFFFAOYSA-N -1 1 356.828 0.649 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000271599940 488529848 /nfs/dbraw/zinc/52/98/48/488529848.db2.gz XKJFTWAMGMNDID-UWVGGRQHSA-N -1 1 355.416 0.777 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1nn[n-]n1 ZINC000124632119 488594720 /nfs/dbraw/zinc/59/47/20/488594720.db2.gz ZSFUQCOZCYYGFM-UKRRQHHQSA-N -1 1 356.430 0.853 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)o1 ZINC000126450405 488609374 /nfs/dbraw/zinc/60/93/74/488609374.db2.gz GLLTYMARUJPDIL-UHFFFAOYSA-N -1 1 352.416 0.937 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132700236 488655169 /nfs/dbraw/zinc/65/51/69/488655169.db2.gz ZEFFXIMRHMZCNK-SNVBAGLBSA-N -1 1 350.329 0.614 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1cccc2nsnc21 ZINC000144751783 488692563 /nfs/dbraw/zinc/69/25/63/488692563.db2.gz LQEDEVJVFXTDSV-SECBINFHSA-N -1 1 353.385 0.389 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1)c1nn[n-]n1 ZINC000274731474 488730688 /nfs/dbraw/zinc/73/06/88/488730688.db2.gz CUARLXLFHHNALL-AAEUAGOBSA-N -1 1 360.443 0.977 10 0 FCAEMM COC(=O)c1sccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274889549 488741161 /nfs/dbraw/zinc/74/11/61/488741161.db2.gz FSOULVXHSYTNOE-QMMMGPOBSA-N -1 1 359.385 0.232 10 0 FCAEMM COc1cccc(OC)c1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000275023289 488754261 /nfs/dbraw/zinc/75/42/61/488754261.db2.gz SCTVYXUKVFLNAP-GFCCVEGCSA-N -1 1 372.443 0.921 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000275062277 488758142 /nfs/dbraw/zinc/75/81/42/488758142.db2.gz ZAWOZVOOHYATMJ-JTQLQIEISA-N -1 1 360.388 0.284 10 0 FCAEMM O=C(CN1CCN(C(=O)c2cc(F)ccc2[O-])CC1)N1CCOCC1 ZINC000267534911 488795157 /nfs/dbraw/zinc/79/51/57/488795157.db2.gz XZLYORZSBMVLBP-UHFFFAOYSA-N -1 1 351.378 0.148 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749830 488837595 /nfs/dbraw/zinc/83/75/95/488837595.db2.gz PCBHHIOXFOWXNB-OAHLLOKOSA-N -1 1 373.457 0.917 10 0 FCAEMM Cc1cc(N2CC[C@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)n(C)n1 ZINC000173280426 488841979 /nfs/dbraw/zinc/84/19/79/488841979.db2.gz MWBKVIGZLWYUBG-ZDUSSCGKSA-N -1 1 366.381 0.500 10 0 FCAEMM COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288576611 488993567 /nfs/dbraw/zinc/99/35/67/488993567.db2.gz BCJSHXNGELJMJL-GFCCVEGCSA-N -1 1 373.413 0.727 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[n-]4)C3)n2)CC1 ZINC000563196481 491226668 /nfs/dbraw/zinc/22/66/68/491226668.db2.gz ZOLWEKGYDCODAB-CYBMUJFWSA-N -1 1 371.445 0.677 10 0 FCAEMM Cn1ncc2c1nc(N1CCC(C[N-]C(=O)C(F)(F)F)CC1)nc2N ZINC000281937572 489118561 /nfs/dbraw/zinc/11/85/61/489118561.db2.gz RKFZGKXJTYGFLN-UHFFFAOYSA-N -1 1 357.340 0.840 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)n1nnc(-c2ccccc2)n1 ZINC000282885549 489196719 /nfs/dbraw/zinc/19/67/19/489196719.db2.gz JYEPXPAJADGLBE-YPMHNXCESA-N -1 1 368.401 0.719 10 0 FCAEMM Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282927358 489199481 /nfs/dbraw/zinc/19/94/81/489199481.db2.gz OLODLCGELLQRKF-ZDUSSCGKSA-N -1 1 357.414 0.851 10 0 FCAEMM O=C(CN1C(=O)COc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282975091 489203175 /nfs/dbraw/zinc/20/31/75/489203175.db2.gz SOUIYNIRASHXCC-NSHDSACASA-N -1 1 357.370 0.230 10 0 FCAEMM Cn1cnc(-c2ccc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)cc2)n1 ZINC000282995410 489204957 /nfs/dbraw/zinc/20/49/57/489204957.db2.gz VDIROYJBGBPBNU-CYBMUJFWSA-N -1 1 353.386 0.913 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283009445 489205819 /nfs/dbraw/zinc/20/58/19/489205819.db2.gz WIPJPUROXYTOFZ-QWRGUYRKSA-N -1 1 353.448 0.506 10 0 FCAEMM Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000349540090 489311108 /nfs/dbraw/zinc/31/11/08/489311108.db2.gz YIZUGZOFNZLMLS-UHFFFAOYSA-N -1 1 372.419 0.269 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)c(C(F)(F)F)n1 ZINC000555351250 491247705 /nfs/dbraw/zinc/24/77/05/491247705.db2.gz BAJQAEHXNLAVBB-WCBMZHEXSA-N -1 1 373.397 0.875 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(-c2nc(C3(COC)CCOCC3)no2)o1 ZINC000349719619 489331264 /nfs/dbraw/zinc/33/12/64/489331264.db2.gz QVMJBCDUPGEEMO-UHFFFAOYSA-N -1 1 357.388 0.932 10 0 FCAEMM CO[C@](C)(c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1)C1CC1 ZINC000350423791 489339144 /nfs/dbraw/zinc/33/91/44/489339144.db2.gz UAMKEQRDYVYVIL-AWEZNQCLSA-N -1 1 355.420 0.862 10 0 FCAEMM CCO[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298683854 489352458 /nfs/dbraw/zinc/35/24/58/489352458.db2.gz BONITBRBXQFHCR-SWLSCSKDSA-N -1 1 370.427 0.777 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3nc(C4CC4)nn3C)no2)o1 ZINC000351365337 489355553 /nfs/dbraw/zinc/35/55/53/489355553.db2.gz FEOKNSCLHMQUQM-UHFFFAOYSA-N -1 1 364.387 0.834 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852394 489411413 /nfs/dbraw/zinc/41/14/13/489411413.db2.gz NHNGGJROYPBGQK-VXGBXAGGSA-N -1 1 366.447 0.191 10 0 FCAEMM COC(=O)CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)OC ZINC000451449844 489505281 /nfs/dbraw/zinc/50/52/81/489505281.db2.gz CJYXYDNICCSWBB-NXEZZACHSA-N -1 1 357.375 0.836 10 0 FCAEMM CCOC(=O)[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC12COC2 ZINC000454264613 489567216 /nfs/dbraw/zinc/56/72/16/489567216.db2.gz LRJWKTZOEIXMJN-LBPRGKRZSA-N -1 1 357.366 0.575 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2CCCCCC2)o1 ZINC000456125383 489607751 /nfs/dbraw/zinc/60/77/51/489607751.db2.gz SOYFPRPKQRQMAP-UHFFFAOYSA-N -1 1 357.432 0.743 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C3CCC3)CCC2)o1 ZINC000457158442 489639198 /nfs/dbraw/zinc/63/91/98/489639198.db2.gz JWOOSSUGELVOHS-UHFFFAOYSA-N -1 1 369.443 0.743 10 0 FCAEMM Cc1cnc(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)c([O-])c1 ZINC000457853540 489659411 /nfs/dbraw/zinc/65/94/11/489659411.db2.gz BKGZVEADIUMMGA-ZDUSSCGKSA-N -1 1 370.475 0.780 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C3CCC3)CCC2)o1 ZINC000458236662 489675004 /nfs/dbraw/zinc/67/50/04/489675004.db2.gz KWHDWEAFWSGCIM-UHFFFAOYSA-N -1 1 355.416 0.496 10 0 FCAEMM COc1ccccc1C(=O)N[C@H](C(=O)NC1(c2nn[n-]n2)CC1)C(C)C ZINC000430315376 489730813 /nfs/dbraw/zinc/73/08/13/489730813.db2.gz DTDFHRJAKZIRIA-ZDUSSCGKSA-N -1 1 358.402 0.768 10 0 FCAEMM C/C=C/C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)OCC ZINC000433879383 489903776 /nfs/dbraw/zinc/90/37/76/489903776.db2.gz VQJGJHULJWLZQS-ZPMKCOPCSA-N -1 1 359.404 0.763 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccsc2)c1 ZINC000461460474 489911667 /nfs/dbraw/zinc/91/16/67/489911667.db2.gz MFLUYMQUAIFRSZ-UHFFFAOYSA-N -1 1 369.424 0.730 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CO[C@H](C)c2nccn2C)c1 ZINC000461465529 489912631 /nfs/dbraw/zinc/91/26/31/489912631.db2.gz WTJPHBWOYBMTPN-SNVBAGLBSA-N -1 1 368.415 0.750 10 0 FCAEMM Cn1c(C(=O)NC2(c3nn[n-]n3)CC2)cc2c1nc1ccccn1c2=O ZINC000477019790 489931343 /nfs/dbraw/zinc/93/13/43/489931343.db2.gz NTOVVPAMUZDMAY-UHFFFAOYSA-N -1 1 350.342 0.118 10 0 FCAEMM O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477015701 489931512 /nfs/dbraw/zinc/93/15/12/489931512.db2.gz ARMWFJLHOJXYJZ-UHFFFAOYSA-N -1 1 366.385 0.844 10 0 FCAEMM CCOc1ccccc1[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(C)=O ZINC000477024171 489932565 /nfs/dbraw/zinc/93/25/65/489932565.db2.gz JWSBTTFAMDFIBE-ZDUSSCGKSA-N -1 1 358.402 0.971 10 0 FCAEMM COCCOc1cn(-c2ccccc2)nc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477035147 489934364 /nfs/dbraw/zinc/93/43/64/489934364.db2.gz PCJNZQXIRWKDGK-UHFFFAOYSA-N -1 1 369.385 0.830 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000377887092 489973500 /nfs/dbraw/zinc/97/35/00/489973500.db2.gz CREGWNQQZWIXCB-NSHDSACASA-N -1 1 351.388 0.434 10 0 FCAEMM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000420714686 490013117 /nfs/dbraw/zinc/01/31/17/490013117.db2.gz GCVSOMAEWOTKIN-MWLCHTKSSA-N -1 1 366.436 0.731 10 0 FCAEMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])on1 ZINC000436925241 490016080 /nfs/dbraw/zinc/01/60/80/490016080.db2.gz ICWIRIULZRONDC-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000564212620 491294663 /nfs/dbraw/zinc/29/46/63/491294663.db2.gz ZIJCZAWLBLEBIW-CYBMUJFWSA-N -1 1 364.445 0.467 10 0 FCAEMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793255 490117287 /nfs/dbraw/zinc/11/72/87/490117287.db2.gz FHPGNTPXGUCUPV-LLVKDONJSA-N -1 1 374.401 0.774 10 0 FCAEMM CC(C)C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1CCCCC1=O ZINC000446862789 490167574 /nfs/dbraw/zinc/16/75/74/490167574.db2.gz TVTRGMCXHHCKDH-SNVBAGLBSA-N -1 1 357.436 0.574 10 0 FCAEMM CC(C)C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1CCCCC1=O ZINC000446862789 490167582 /nfs/dbraw/zinc/16/75/82/490167582.db2.gz TVTRGMCXHHCKDH-SNVBAGLBSA-N -1 1 357.436 0.574 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)cnc2n1 ZINC000533124023 490180743 /nfs/dbraw/zinc/18/07/43/490180743.db2.gz SQIPMYKBNBMHNM-LLVKDONJSA-N -1 1 364.427 0.655 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c2=O ZINC000533124023 490180754 /nfs/dbraw/zinc/18/07/54/490180754.db2.gz SQIPMYKBNBMHNM-LLVKDONJSA-N -1 1 364.427 0.655 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCC3(OCCO)CCOCC3)cnc2n1 ZINC000507275278 490195465 /nfs/dbraw/zinc/19/54/65/490195465.db2.gz BDMZXZHXFFVGBI-UHFFFAOYSA-N -1 1 361.398 0.932 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCC1(OCCO)CCOCC1)c2=O ZINC000507275278 490195469 /nfs/dbraw/zinc/19/54/69/490195469.db2.gz BDMZXZHXFFVGBI-UHFFFAOYSA-N -1 1 361.398 0.932 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000407998464 490197780 /nfs/dbraw/zinc/19/77/80/490197780.db2.gz QOHNFXXTWICQRM-NWDGAFQWSA-N -1 1 372.447 0.685 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)o1 ZINC000556406744 491314440 /nfs/dbraw/zinc/31/44/40/491314440.db2.gz CRTKPEHIYHLHCF-JQWIXIFHSA-N -1 1 363.432 0.893 10 0 FCAEMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(F)c1 ZINC000547546145 490313081 /nfs/dbraw/zinc/31/30/81/490313081.db2.gz STYHGXFADNUXQY-NSHDSACASA-N -1 1 356.310 0.534 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000547549364 490314795 /nfs/dbraw/zinc/31/47/95/490314795.db2.gz IPPYAMBUCPKYCB-LLVKDONJSA-N -1 1 352.397 0.994 10 0 FCAEMM CNS(=O)(=O)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000508385537 490326128 /nfs/dbraw/zinc/32/61/28/490326128.db2.gz WTLJBFWTZGHJBX-UHFFFAOYSA-N -1 1 372.406 0.761 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000522068573 490337315 /nfs/dbraw/zinc/33/73/15/490337315.db2.gz ZBTGCOHWNRMGLS-CYBMUJFWSA-N -1 1 371.397 0.111 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000522068573 490337321 /nfs/dbraw/zinc/33/73/21/490337321.db2.gz ZBTGCOHWNRMGLS-CYBMUJFWSA-N -1 1 371.397 0.111 10 0 FCAEMM CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)co1 ZINC000534395778 490361290 /nfs/dbraw/zinc/36/12/90/490361290.db2.gz YKCQYMIQZBHXKS-UHFFFAOYSA-N -1 1 354.392 0.242 10 0 FCAEMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC1(c2nn[n-]n2)CCCC1 ZINC000522857740 490412932 /nfs/dbraw/zinc/41/29/32/490412932.db2.gz MCWMGFHZBDREBH-UHFFFAOYSA-N -1 1 369.385 0.591 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000548201563 490437804 /nfs/dbraw/zinc/43/78/04/490437804.db2.gz SRQDWMRZKUSJJG-NSHDSACASA-N -1 1 352.397 0.994 10 0 FCAEMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468953474 490469057 /nfs/dbraw/zinc/46/90/57/490469057.db2.gz LZLZFTKJUIZNMG-RYUDHWBXSA-N -1 1 371.459 0.988 10 0 FCAEMM CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000422772235 490474755 /nfs/dbraw/zinc/47/47/55/490474755.db2.gz SDRWWRMUHSFEDF-CQSZACIVSA-N -1 1 353.463 0.890 10 0 FCAEMM COc1cc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)[nH]c2cc1OC ZINC000524036003 490511860 /nfs/dbraw/zinc/51/18/60/490511860.db2.gz MAPTXFATOMOMSJ-UHFFFAOYSA-N -1 1 365.371 0.959 10 0 FCAEMM COc1cc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)[nH]c2cc1OC ZINC000524036003 490511865 /nfs/dbraw/zinc/51/18/65/490511865.db2.gz MAPTXFATOMOMSJ-UHFFFAOYSA-N -1 1 365.371 0.959 10 0 FCAEMM CC(=O)CCc1ccc(OCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512575216 490689043 /nfs/dbraw/zinc/68/90/43/490689043.db2.gz XRQLLLPEVHGKED-UHFFFAOYSA-N -1 1 366.399 0.747 10 0 FCAEMM CC(=O)CCc1ccc(OCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000512575216 490689044 /nfs/dbraw/zinc/68/90/44/490689044.db2.gz XRQLLLPEVHGKED-UHFFFAOYSA-N -1 1 366.399 0.747 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000487332688 490705397 /nfs/dbraw/zinc/70/53/97/490705397.db2.gz DVPMUAWWHFMBLX-IUCAKERBSA-N -1 1 364.370 0.699 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)cc1[N-]S(C)(=O)=O ZINC000538098590 490711109 /nfs/dbraw/zinc/71/11/09/490711109.db2.gz JDVJKVBEDOLUKE-NXEZZACHSA-N -1 1 373.431 0.138 10 0 FCAEMM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)co1 ZINC000539325304 490777466 /nfs/dbraw/zinc/77/74/66/490777466.db2.gz FHNZMNNQJOMTQQ-VIFPVBQESA-N -1 1 354.392 0.063 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCO1 ZINC000529744492 490871173 /nfs/dbraw/zinc/87/11/73/490871173.db2.gz RAIMTPUIZDZYIX-NSHDSACASA-N -1 1 365.434 0.558 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2c3ccccc3C(=O)N2C)o1 ZINC000529998978 490885734 /nfs/dbraw/zinc/88/57/34/490885734.db2.gz UZFCNAOJHXONNL-LBPRGKRZSA-N -1 1 363.395 0.744 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)o1 ZINC000530076938 490887486 /nfs/dbraw/zinc/88/74/86/490887486.db2.gz VAMBKPHJUOETBS-JTQLQIEISA-N -1 1 352.372 0.661 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2nc(CO)cs2)c(C(F)(F)F)n1 ZINC000559075144 491454216 /nfs/dbraw/zinc/45/42/16/491454216.db2.gz MMMIAAKQAKOIMU-UHFFFAOYSA-N -1 1 356.351 0.866 10 0 FCAEMM CCOC(=O)C(=C(O)Cn1nnn(C2CC2)c1=O)c1nc(C)cs1 ZINC000574436208 491496252 /nfs/dbraw/zinc/49/62/52/491496252.db2.gz OQEJZIRKQVDBFA-LLVKDONJSA-N -1 1 351.388 0.456 10 0 FCAEMM CCOC(=O)C(=C([O-])Cn1nnn(C2CC2)c1=O)c1nc(C)cs1 ZINC000574436208 491496255 /nfs/dbraw/zinc/49/62/55/491496255.db2.gz OQEJZIRKQVDBFA-LLVKDONJSA-N -1 1 351.388 0.456 10 0 FCAEMM O=C(CNS(=O)(=O)c1ccccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000584691309 491710409 /nfs/dbraw/zinc/71/04/09/491710409.db2.gz AQAMGRGWMUYRFQ-SNVBAGLBSA-N -1 1 368.394 0.023 10 0 FCAEMM CC1(C(N)=O)CN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000581191452 491763268 /nfs/dbraw/zinc/76/32/68/491763268.db2.gz AAHAORPCZHLUQA-UHFFFAOYSA-N -1 1 360.151 0.944 10 0 FCAEMM CCN(CC)C(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000591450192 491806078 /nfs/dbraw/zinc/80/60/78/491806078.db2.gz ASYRRAVOPPKVBA-UHFFFAOYSA-N -1 1 365.415 0.943 10 0 FCAEMM CCN(CC)C(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000591450192 491806079 /nfs/dbraw/zinc/80/60/79/491806079.db2.gz ASYRRAVOPPKVBA-UHFFFAOYSA-N -1 1 365.415 0.943 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccnn1C ZINC000592091821 491831590 /nfs/dbraw/zinc/83/15/90/491831590.db2.gz LPYRXRJYMPCWLS-CYBMUJFWSA-N -1 1 353.356 0.341 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]2CCC[C@@H]21 ZINC000600546718 491868224 /nfs/dbraw/zinc/86/82/24/491868224.db2.gz KFNZHRUMNSUHJS-OPRDCNLKSA-N -1 1 351.359 0.700 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1F ZINC000600661492 491873647 /nfs/dbraw/zinc/87/36/47/491873647.db2.gz ZBZLITWXVPOYOE-QMMMGPOBSA-N -1 1 355.290 0.843 10 0 FCAEMM CO[C@H](C)CS(=O)(=O)[N-]c1nn(C)cc1I ZINC000600667282 491874340 /nfs/dbraw/zinc/87/43/40/491874340.db2.gz GAPBQAGMVKJEGX-ZCFIWIBFSA-N -1 1 359.189 0.801 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC)CC1=O ZINC000601284585 491901888 /nfs/dbraw/zinc/90/18/88/491901888.db2.gz KTGTXYIHSUUMOW-KBPBESRZSA-N -1 1 354.428 0.311 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601285819 491901929 /nfs/dbraw/zinc/90/19/29/491901929.db2.gz XYRLLWDQKWWUEN-CABCVRRESA-N -1 1 356.444 0.021 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1 ZINC000601363028 491908915 /nfs/dbraw/zinc/90/89/15/491908915.db2.gz ZJVCDPDRFHNNDW-UKRRQHHQSA-N -1 1 354.428 0.831 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000595337292 491921296 /nfs/dbraw/zinc/92/12/96/491921296.db2.gz VNOKSCUENQNIPD-UONOGXRCSA-N -1 1 355.428 0.781 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000595366814 491924359 /nfs/dbraw/zinc/92/43/59/491924359.db2.gz JUCVTQYXQBBQII-LBPRGKRZSA-N -1 1 371.415 0.635 10 0 FCAEMM O=C(NC[C@H]1CN2CCN1CCC2)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000614506085 492034451 /nfs/dbraw/zinc/03/44/51/492034451.db2.gz VNUHAPYKVXFBNL-HNNXBMFYSA-N -1 1 359.405 0.837 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598166588 492086992 /nfs/dbraw/zinc/08/69/92/492086992.db2.gz JGFPTQRXFKYGNF-OAHLLOKOSA-N -1 1 355.347 0.127 10 0 FCAEMM NS(=O)(=O)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000615357982 492087789 /nfs/dbraw/zinc/08/77/89/492087789.db2.gz NVZZIUYPMYEJDV-UHFFFAOYSA-N -1 1 358.379 0.501 10 0 FCAEMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605530985 492097850 /nfs/dbraw/zinc/09/78/50/492097850.db2.gz SJNCTEPBUGOVDV-UHFFFAOYSA-N -1 1 370.417 0.932 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H](C)NC(=O)c2cccs2)n[n-]1 ZINC000615918945 492107293 /nfs/dbraw/zinc/10/72/93/492107293.db2.gz LJEACWXAXWCUSM-QMMMGPOBSA-N -1 1 351.388 0.478 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)NC(=O)c2cccs2)n1 ZINC000615918945 492107294 /nfs/dbraw/zinc/10/72/94/492107294.db2.gz LJEACWXAXWCUSM-QMMMGPOBSA-N -1 1 351.388 0.478 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cn(Cc3ccccc3)nn2)n[n-]1 ZINC000615919430 492108043 /nfs/dbraw/zinc/10/80/43/492108043.db2.gz IASAELUCWJWWDF-UHFFFAOYSA-N -1 1 355.358 0.551 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cn(Cc3ccccc3)nn2)n1 ZINC000615919430 492108045 /nfs/dbraw/zinc/10/80/45/492108045.db2.gz IASAELUCWJWWDF-UHFFFAOYSA-N -1 1 355.358 0.551 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n[n-]1 ZINC000615920046 492108068 /nfs/dbraw/zinc/10/80/68/492108068.db2.gz MQTHNGXSHNEERF-JTQLQIEISA-N -1 1 361.358 0.239 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000615920046 492108069 /nfs/dbraw/zinc/10/80/69/492108069.db2.gz MQTHNGXSHNEERF-JTQLQIEISA-N -1 1 361.358 0.239 10 0 FCAEMM CO[C@](C)(C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)C(=O)OC(C)(C)C ZINC000598838533 492119118 /nfs/dbraw/zinc/11/91/18/492119118.db2.gz LTCOQNFPLBYIJV-OAHLLOKOSA-N -1 1 351.363 0.411 10 0 FCAEMM CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000598896522 492120845 /nfs/dbraw/zinc/12/08/45/492120845.db2.gz ZUGLTLNOUZQKPW-GFCCVEGCSA-N -1 1 352.420 0.123 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)Nc2ccccc2)on1 ZINC000599228951 492145831 /nfs/dbraw/zinc/14/58/31/492145831.db2.gz IXQXGEDQDOKKMH-UHFFFAOYSA-N -1 1 367.383 0.909 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(C(=O)OC)o2)on1 ZINC000599236446 492146744 /nfs/dbraw/zinc/14/67/44/492146744.db2.gz GWPYPKBGYQBZCR-UHFFFAOYSA-N -1 1 372.355 0.851 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC)[C@@H](O)C(F)(F)F)on1 ZINC000599269535 492152487 /nfs/dbraw/zinc/15/24/87/492152487.db2.gz RGYSGSNECZJNDL-WCBMZHEXSA-N -1 1 374.337 0.973 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1F ZINC000599340705 492162752 /nfs/dbraw/zinc/16/27/52/492162752.db2.gz YMEGQJFLOYHDGS-CQSZACIVSA-N -1 1 365.354 0.571 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)CCOCC1 ZINC000599346476 492163214 /nfs/dbraw/zinc/16/32/14/492163214.db2.gz KQOMRVWICKPCKM-ZDUSSCGKSA-N -1 1 355.428 0.783 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](CO)C1CCC1 ZINC000617300714 492163730 /nfs/dbraw/zinc/16/37/30/492163730.db2.gz FDCBUSUJNNDKNZ-HNNXBMFYSA-N -1 1 364.446 0.537 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)no1 ZINC000608050703 492164908 /nfs/dbraw/zinc/16/49/08/492164908.db2.gz OERNVRVGBGGXPC-RNCFNFMXSA-N -1 1 353.404 0.330 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617891475 492203577 /nfs/dbraw/zinc/20/35/77/492203577.db2.gz ZHNNFSUPPAQSDQ-MWLCHTKSSA-N -1 1 353.318 0.953 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000618509111 492230454 /nfs/dbraw/zinc/23/04/54/492230454.db2.gz NMIRICARFDLTQC-GARJFASQSA-N -1 1 355.416 0.209 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1cccs1 ZINC000610135077 492235745 /nfs/dbraw/zinc/23/57/45/492235745.db2.gz OYDSAXOWBALVMF-JTQLQIEISA-N -1 1 355.459 0.316 10 0 FCAEMM O=C(NC1(CN2CCN(c3ccccc3)CC2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC000619063836 492249093 /nfs/dbraw/zinc/24/90/93/492249093.db2.gz FCOOGKPGYKZMJT-UHFFFAOYSA-N -1 1 370.413 0.367 10 0 FCAEMM COC(=O)[C@@]1(OC)CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000600285582 492256414 /nfs/dbraw/zinc/25/64/14/492256414.db2.gz CKPAECUMCSXVRW-QGZVFWFLSA-N -1 1 362.386 0.385 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000610703061 492259335 /nfs/dbraw/zinc/25/93/35/492259335.db2.gz YVFDDTIMDUXBJZ-LBPRGKRZSA-N -1 1 367.420 0.394 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)o1 ZINC000600427350 492269014 /nfs/dbraw/zinc/26/90/14/492269014.db2.gz ITLYETZHKLODHX-QWRGUYRKSA-N -1 1 374.415 0.276 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000647485206 492294433 /nfs/dbraw/zinc/29/44/33/492294433.db2.gz FJUNTSZVSHVVJU-UHFFFAOYSA-N -1 1 357.370 0.919 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000647580297 492323177 /nfs/dbraw/zinc/32/31/77/492323177.db2.gz HZDPOSMFTSHOCG-CFVMTHIKSA-N -1 1 365.405 0.914 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NC3(C(=O)N(C)C)CC3)c(=O)c2c(OC)c1 ZINC000627746455 492371492 /nfs/dbraw/zinc/37/14/92/492371492.db2.gz DBXIARNGYDXMMX-UHFFFAOYSA-N -1 1 359.382 0.896 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305741 492373034 /nfs/dbraw/zinc/37/30/34/492373034.db2.gz HLYVMQKADDAZDV-LLVKDONJSA-N -1 1 357.413 0.513 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299352 492430084 /nfs/dbraw/zinc/43/00/84/492430084.db2.gz KYOGVHFKEPSQLB-NWDGAFQWSA-N -1 1 357.407 0.088 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000622079745 492451697 /nfs/dbraw/zinc/45/16/97/492451697.db2.gz AWINNXPJCAUYHF-FMKPAKJESA-N -1 1 374.441 0.983 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)cnc2n1 ZINC000622172405 492464403 /nfs/dbraw/zinc/46/44/03/492464403.db2.gz KINCIHVQUKIMLG-LLVKDONJSA-N -1 1 364.427 0.750 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c2=O ZINC000622172405 492464407 /nfs/dbraw/zinc/46/44/07/492464407.db2.gz KINCIHVQUKIMLG-LLVKDONJSA-N -1 1 364.427 0.750 10 0 FCAEMM COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000655907184 492486788 /nfs/dbraw/zinc/48/67/88/492486788.db2.gz OWJVGWNUMWXZKF-LLVKDONJSA-N -1 1 359.304 0.935 10 0 FCAEMM CCN(CC)C(=O)c1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc1 ZINC000622871172 492491865 /nfs/dbraw/zinc/49/18/65/492491865.db2.gz SGLGHFLBLRHJDJ-UHFFFAOYSA-N -1 1 368.397 0.882 10 0 FCAEMM CNC(=O)c1[nH]nnc1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883333 492492843 /nfs/dbraw/zinc/49/28/43/492492843.db2.gz UGTKKEYLJJEZGE-RXMQYKEDSA-N -1 1 357.296 0.650 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CSCN3C(=O)CC)nc2n1 ZINC000622996488 492498851 /nfs/dbraw/zinc/49/88/51/492498851.db2.gz PNHRMNJRCOSAGP-SNVBAGLBSA-N -1 1 364.431 0.620 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)o1 ZINC000628652787 492532674 /nfs/dbraw/zinc/53/26/74/492532674.db2.gz HNHFURVROXXRNA-ZJUUUORDSA-N -1 1 373.456 0.153 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000656101982 492551532 /nfs/dbraw/zinc/55/15/32/492551532.db2.gz AGWUFGHFBSVCEZ-UONOGXRCSA-N -1 1 353.463 0.888 10 0 FCAEMM CN1CCOC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000628922453 492565174 /nfs/dbraw/zinc/56/51/74/492565174.db2.gz NQXIRTQDLOIPEA-NSHDSACASA-N -1 1 359.448 0.417 10 0 FCAEMM CO[C@@H](CS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(F)cc1 ZINC000629292267 492602838 /nfs/dbraw/zinc/60/28/38/492602838.db2.gz FKPXIKGSJLQBNJ-KGLIPLIRSA-N -1 1 371.390 0.852 10 0 FCAEMM Cc1nc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)sc1Br ZINC000656564469 492633982 /nfs/dbraw/zinc/63/39/82/492633982.db2.gz NYKQASNHFXZDLX-VIFPVBQESA-N -1 1 371.234 0.736 10 0 FCAEMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656863520 492653528 /nfs/dbraw/zinc/65/35/28/492653528.db2.gz HXBPKTPAEQBRIS-UHFFFAOYSA-N -1 1 350.238 0.895 10 0 FCAEMM CC(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n[nH]1 ZINC000629629074 492660478 /nfs/dbraw/zinc/66/04/78/492660478.db2.gz KYMGTYTXJUZCIK-ZYHUDNBSSA-N -1 1 364.493 0.993 10 0 FCAEMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1ncccc1Br ZINC000656943807 492675496 /nfs/dbraw/zinc/67/54/96/492675496.db2.gz LWJLMCAHUZBBDT-MRVPVSSYSA-N -1 1 371.278 0.946 10 0 FCAEMM C[C@H]1CN(CC[N-]S(=O)(=O)c2ncccc2Br)CCO1 ZINC000656966934 492681463 /nfs/dbraw/zinc/68/14/63/492681463.db2.gz WCYKOWLIABGNGI-JTQLQIEISA-N -1 1 364.265 0.843 10 0 FCAEMM Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657058572 492705849 /nfs/dbraw/zinc/70/58/49/492705849.db2.gz VDHLOOQOZNXPGE-LLVKDONJSA-N -1 1 369.418 0.441 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000625027210 492713146 /nfs/dbraw/zinc/71/31/46/492713146.db2.gz KJLUVZKBGMWRIH-BYCMXARLSA-N -1 1 370.475 0.648 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(F)c1 ZINC000657088661 492713908 /nfs/dbraw/zinc/71/39/08/492713908.db2.gz FGOUCPSGEAKCSC-AWEZNQCLSA-N -1 1 351.371 0.720 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2=O)CCOCC1 ZINC000625038647 492714275 /nfs/dbraw/zinc/71/42/75/492714275.db2.gz BZHUHGAWKGBXCL-GFCCVEGCSA-N -1 1 362.448 0.027 10 0 FCAEMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@H](C)[C@@H](C(=O)[O-])O3)n2)cc1 ZINC000630115739 492725080 /nfs/dbraw/zinc/72/50/80/492725080.db2.gz JGGIXSNXGTWRHN-WFBYXXMGSA-N -1 1 360.370 0.975 10 0 FCAEMM COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H](C)[C@@H](C(=O)[O-])O3)n[nH]2)cc1 ZINC000630115739 492725083 /nfs/dbraw/zinc/72/50/83/492725083.db2.gz JGGIXSNXGTWRHN-WFBYXXMGSA-N -1 1 360.370 0.975 10 0 FCAEMM COC1(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)CCOCC1 ZINC000651636749 492797551 /nfs/dbraw/zinc/79/75/51/492797551.db2.gz RRGFXDHARYKTDT-UHFFFAOYSA-N -1 1 359.326 0.703 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)[n-]1 ZINC000651618839 492794859 /nfs/dbraw/zinc/79/48/59/492794859.db2.gz YWCWVNQIHIPEIF-HOCLYGCPSA-N -1 1 370.457 0.999 10 0 FCAEMM COc1ccc(Cn2[n-]nnc2=NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000631050730 492795493 /nfs/dbraw/zinc/79/54/93/492795493.db2.gz KUVXKZWNTASWRI-SFHVURJKSA-N -1 1 373.505 0.836 10 0 FCAEMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000625494703 492800541 /nfs/dbraw/zinc/80/05/41/492800541.db2.gz SVYYSBBCQVUDBZ-UHFFFAOYSA-N -1 1 353.391 0.434 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCN(C4CC4)C(=O)C3)c(=O)c2c(OC)c1 ZINC000625988126 492911912 /nfs/dbraw/zinc/91/19/12/492911912.db2.gz XLJJOMNKIXSZOO-UHFFFAOYSA-N -1 1 371.393 0.992 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cc(C)nn3C)C2=O)CCCC1 ZINC000632041474 492918165 /nfs/dbraw/zinc/91/81/65/492918165.db2.gz MKSGBFIIPQYVSG-CYBMUJFWSA-N -1 1 370.475 0.712 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632197037 492948403 /nfs/dbraw/zinc/94/84/03/492948403.db2.gz KNWYWBKXZDJOJN-CHWSQXEVSA-N -1 1 355.391 0.081 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CN1c1ccc(F)cc1 ZINC000632197423 492948903 /nfs/dbraw/zinc/94/89/03/492948903.db2.gz QAYMCJISUQZYRV-ZIAGYGMSSA-N -1 1 367.402 0.224 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCn3c(CC4CC4)nnc3C2)co1 ZINC000652750233 493014656 /nfs/dbraw/zinc/01/46/56/493014656.db2.gz IHKMHXVMAIDCAP-UHFFFAOYSA-N -1 1 365.415 0.388 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)NCCN2C[C@H]3CCCCN3C2=O)c1 ZINC000632569116 493031127 /nfs/dbraw/zinc/03/11/27/493031127.db2.gz AENBQPCBNGXSJJ-GFCCVEGCSA-N -1 1 369.443 0.969 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C)C1CCOCC1 ZINC000647134206 493169326 /nfs/dbraw/zinc/16/93/26/493169326.db2.gz OCBJPPZECPPOPW-LLVKDONJSA-N -1 1 374.463 0.815 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(F)c1 ZINC000681586948 493191694 /nfs/dbraw/zinc/19/16/94/493191694.db2.gz LGEYUPQJLROGAS-UHFFFAOYSA-N -1 1 364.370 0.754 10 0 FCAEMM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659655732 493233679 /nfs/dbraw/zinc/23/36/79/493233679.db2.gz XQFIWOPCVIHLPX-GDBMZVCRSA-N -1 1 373.453 0.994 10 0 FCAEMM C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000669624858 493514777 /nfs/dbraw/zinc/51/47/77/493514777.db2.gz UTEXJUCNGXJTHG-SECBINFHSA-N -1 1 356.839 0.893 10 0 FCAEMM C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000669624858 493514779 /nfs/dbraw/zinc/51/47/79/493514779.db2.gz UTEXJUCNGXJTHG-SECBINFHSA-N -1 1 356.839 0.893 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)C1CCC1 ZINC000663634156 493607839 /nfs/dbraw/zinc/60/78/39/493607839.db2.gz CNXZLWIUZJPMRB-HNNXBMFYSA-N -1 1 351.447 0.690 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000663633485 493607967 /nfs/dbraw/zinc/60/79/67/493607967.db2.gz ITBBZICHAKZYAH-NFAWXSAZSA-N -1 1 369.462 0.219 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)o1 ZINC000672184650 493741456 /nfs/dbraw/zinc/74/14/56/493741456.db2.gz YSMOBMYJVCTBFH-APPZFPTMSA-N -1 1 356.322 0.980 10 0 FCAEMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1 ZINC000439250033 536475611 /nfs/dbraw/zinc/47/56/11/536475611.db2.gz LNCDCPMQAHEOMS-UHFFFAOYSA-N -1 1 358.416 0.756 10 0 FCAEMM COC[C@](C)(O)CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000452369468 536639810 /nfs/dbraw/zinc/63/98/10/536639810.db2.gz YIKRJPSZUCJXSM-QGZVFWFLSA-N -1 1 350.419 0.888 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1ccnn1C ZINC000592092961 546609035 /nfs/dbraw/zinc/60/90/35/546609035.db2.gz RKSIKXJKHJUEGD-NSHDSACASA-N -1 1 363.346 0.074 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)c1ccnn1C ZINC000592092916 546609252 /nfs/dbraw/zinc/60/92/52/546609252.db2.gz RBBARDGTSKOSJC-KGYLQXTDSA-N -1 1 373.431 0.285 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC)c1ccnn1C ZINC000592092917 546609847 /nfs/dbraw/zinc/60/98/47/546609847.db2.gz RBBARDGTSKOSJC-RAIGVLPGSA-N -1 1 373.431 0.285 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594471918 546792306 /nfs/dbraw/zinc/79/23/06/546792306.db2.gz SBNYUSFYJWDKHX-SDDRHHMPSA-N -1 1 360.432 0.842 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@H](OC)C2)o1 ZINC000594806418 546828339 /nfs/dbraw/zinc/82/83/39/546828339.db2.gz ADGSZSKVFJBTQL-GRYCIOLGSA-N -1 1 361.416 0.911 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000594806934 546828857 /nfs/dbraw/zinc/82/88/57/546828857.db2.gz FDUILVBBKTWYCS-KGYLQXTDSA-N -1 1 361.416 0.911 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)N1CCN(C)CC1 ZINC000866857302 663466981 /nfs/dbraw/zinc/46/69/81/663466981.db2.gz DKOUKOXYSFFVRF-PSLXWICFSA-N -1 1 374.532 0.614 10 0 FCAEMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866918497 665164234 /nfs/dbraw/zinc/16/42/34/665164234.db2.gz APJZRNDQIKIXCU-LLVKDONJSA-N -1 1 373.353 0.685 10 0 FCAEMM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866942276 665220103 /nfs/dbraw/zinc/22/01/03/665220103.db2.gz RFORXCQBKHCZCG-DTWKUNHWSA-N -1 1 357.354 0.911 10 0 FCAEMM COCC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(N)=O ZINC000907225722 666109600 /nfs/dbraw/zinc/10/96/00/666109600.db2.gz DBRPRNPYPSNRAE-MRVPVSSYSA-N -1 1 366.162 0.943 10 0 FCAEMM CC(C)(O)[C@@H](O)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000911196519 666326038 /nfs/dbraw/zinc/32/60/38/666326038.db2.gz FEACPMBIHITBHG-PWSUYJOCSA-N -1 1 360.332 0.755 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000921339593 666437151 /nfs/dbraw/zinc/43/71/51/666437151.db2.gz IEUIQSJGXNYMOQ-CYBMUJFWSA-N -1 1 354.350 0.075 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000921340243 666437418 /nfs/dbraw/zinc/43/74/18/666437418.db2.gz YVEVNNXJWVOWKR-ZDUSSCGKSA-N -1 1 354.350 0.075 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCS(=O)(=O)C1 ZINC000921466069 666449143 /nfs/dbraw/zinc/44/91/43/666449143.db2.gz SPRSMLAHXIMGBY-LBPRGKRZSA-N -1 1 373.374 0.586 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCS(=O)(=O)C1 ZINC000921466512 666449442 /nfs/dbraw/zinc/44/94/42/666449442.db2.gz CTSGZSTUKSFRCD-GFCCVEGCSA-N -1 1 371.839 0.961 10 0 FCAEMM C/C(=C/C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)CN1CCOCC1 ZINC000913779855 666650745 /nfs/dbraw/zinc/65/07/45/666650745.db2.gz KFXGBINCBXDHEJ-LMRWQKIVSA-N -1 1 363.380 0.934 10 0 FCAEMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000914305592 666737923 /nfs/dbraw/zinc/73/79/23/666737923.db2.gz JMXPWLVESWJKFF-UDNWOFFPSA-N -1 1 357.375 0.834 10 0 FCAEMM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC000184292974 666740450 /nfs/dbraw/zinc/74/04/50/666740450.db2.gz PHSKBNXJLGHGRV-UHFFFAOYSA-N -1 1 356.778 0.948 10 0 FCAEMM CC[S@@](=O)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000733899671 666941457 /nfs/dbraw/zinc/94/14/57/666941457.db2.gz LRARRLMTBSCQPW-HXUWFJFHSA-N -1 1 372.465 0.244 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)o1 ZINC000918300327 667110441 /nfs/dbraw/zinc/11/04/41/667110441.db2.gz COTHEBPAQYURTA-UHFFFAOYSA-N -1 1 358.416 0.598 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1cc2ccccc2o1 ZINC000918395901 667117732 /nfs/dbraw/zinc/11/77/32/667117732.db2.gz CPEMHEGDMBSCFS-UHFFFAOYSA-N -1 1 352.412 0.812 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(C(F)(F)F)n1 ZINC000921614829 667144662 /nfs/dbraw/zinc/14/46/62/667144662.db2.gz XKSWTZXEMWMFPR-VGMNWLOBSA-N -1 1 355.338 0.521 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCOc2ncccn2)c1C(F)(F)F ZINC000919389312 667173393 /nfs/dbraw/zinc/17/33/93/667173393.db2.gz VMXNHPPLAUZCQO-UHFFFAOYSA-N -1 1 365.337 0.976 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC2CC3(C2)OCCO3)c1C(F)(F)F ZINC000921658772 667212694 /nfs/dbraw/zinc/21/26/94/667212694.db2.gz CNZAXJBZNWDDDH-UHFFFAOYSA-N -1 1 355.338 0.870 10 0 FCAEMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCN1CCC2(C1)OCCO2 ZINC000920090172 667222852 /nfs/dbraw/zinc/22/28/52/667222852.db2.gz VBHZELQPJIKGDM-QFIPXVFZSA-N -1 1 369.509 0.166 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCOC2CCOCC2)c(C(F)(F)F)n1 ZINC000921881680 667530994 /nfs/dbraw/zinc/53/09/94/667530994.db2.gz UPJYJRIRXUNZSF-UHFFFAOYSA-N -1 1 357.354 0.913 10 0 FCAEMM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000921963391 667555673 /nfs/dbraw/zinc/55/56/73/667555673.db2.gz BENHQZJQGGSHDV-SNVBAGLBSA-N -1 1 361.221 0.590 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCc3nnn(C)c3C2)c(C(F)(F)F)n1 ZINC000922042655 667573546 /nfs/dbraw/zinc/57/35/46/667573546.db2.gz WAMMBCKNQGEPPP-ZETCQYMHSA-N -1 1 364.353 0.403 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000753951691 667576654 /nfs/dbraw/zinc/57/66/54/667576654.db2.gz KYRWXYJSIFRGKJ-UHFFFAOYSA-N -1 1 366.380 0.925 10 0 FCAEMM CS(=O)(=O)N1CC(CNC(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000922092483 667585377 /nfs/dbraw/zinc/58/53/77/667585377.db2.gz WWTXPICSSSTLGH-UHFFFAOYSA-N -1 1 363.386 0.404 10 0 FCAEMM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000867015192 667710941 /nfs/dbraw/zinc/71/09/41/667710941.db2.gz WSWYPYJUTRBFNQ-IHRRRGAJSA-N -1 1 364.508 0.993 10 0 FCAEMM CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000923255677 667819902 /nfs/dbraw/zinc/81/99/02/667819902.db2.gz PQDMXRHIMJZICG-UTUOFQBUSA-N -1 1 370.368 0.616 10 0 FCAEMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000759829848 667823496 /nfs/dbraw/zinc/82/34/96/667823496.db2.gz USNZIRDCSMYEPY-UHFFFAOYSA-N -1 1 360.193 0.400 10 0 FCAEMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000774234700 668138565 /nfs/dbraw/zinc/13/85/65/668138565.db2.gz CGYNRFHVAMGULK-UHFFFAOYSA-N -1 1 352.420 0.629 10 0 FCAEMM COC(=O)C[C@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCCOC1 ZINC000770299013 668186504 /nfs/dbraw/zinc/18/65/04/668186504.db2.gz MVBBJYIRGQQBQA-CYBMUJFWSA-N -1 1 365.839 0.773 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777906325 668341451 /nfs/dbraw/zinc/34/14/51/668341451.db2.gz GPXYJZWFUHCLDR-CQSZACIVSA-N -1 1 356.448 0.511 10 0 FCAEMM CCS(=O)(=O)CCn1cc(C)c([N-]S(=O)(=O)N2CCC[C@@H]2C)n1 ZINC000782560119 668567656 /nfs/dbraw/zinc/56/76/56/668567656.db2.gz GSELRXMJNIYCKI-LBPRGKRZSA-N -1 1 364.493 0.767 10 0 FCAEMM CCC(=O)N1CCC[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782647514 668573640 /nfs/dbraw/zinc/57/36/40/668573640.db2.gz UWJAEIOSIBMPKZ-NSHDSACASA-N -1 1 368.352 0.873 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCc3ccccc32)o1 ZINC000786199112 668750279 /nfs/dbraw/zinc/75/02/79/668750279.db2.gz CCZXQKIJMAYXLV-GFCCVEGCSA-N -1 1 364.379 0.888 10 0 FCAEMM Cn1[n-]c(COC(=O)c2cnn(-c3ccncc3)c2C(F)F)nc1=O ZINC000787229887 668791068 /nfs/dbraw/zinc/79/10/68/668791068.db2.gz WMMQIEQMIKEJME-UHFFFAOYSA-N -1 1 350.285 0.984 10 0 FCAEMM C[C@@H]1[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997351 668818729 /nfs/dbraw/zinc/81/87/29/668818729.db2.gz DDOGCBZCENDUBD-RKDXNWHRSA-N -1 1 373.435 0.792 10 0 FCAEMM C[C@@H]1[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997351 668818732 /nfs/dbraw/zinc/81/87/32/668818732.db2.gz DDOGCBZCENDUBD-RKDXNWHRSA-N -1 1 373.435 0.792 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)OC)cn2)co1 ZINC000793399099 668927105 /nfs/dbraw/zinc/92/71/05/668927105.db2.gz LMBVQSMASWLPKK-UHFFFAOYSA-N -1 1 354.340 0.726 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCOCCO)c(F)cc1Cl ZINC000795850454 669065434 /nfs/dbraw/zinc/06/54/34/669065434.db2.gz JYIOQFQBQOSTEV-UHFFFAOYSA-N -1 1 355.771 0.553 10 0 FCAEMM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)NN2CC(=O)[N-]C2=O)n1 ZINC000824997913 669430563 /nfs/dbraw/zinc/43/05/63/669430563.db2.gz FJKJNDFJRQBFFS-VIFPVBQESA-N -1 1 352.351 0.376 10 0 FCAEMM Cc1ccsc1[C@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806934734 669454220 /nfs/dbraw/zinc/45/42/20/669454220.db2.gz PRRCZGQHTSXQDE-LBPRGKRZSA-N -1 1 359.411 0.500 10 0 FCAEMM CCS(=O)(=O)CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807707664 669509967 /nfs/dbraw/zinc/50/99/67/669509967.db2.gz WLKHUMIFNSLUBI-QXEWZRGKSA-N -1 1 358.382 0.725 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)c1ccnn1C ZINC000828132687 669618994 /nfs/dbraw/zinc/61/89/94/669618994.db2.gz MXRHNOSPMRMCBG-LSDHHAIUSA-N -1 1 367.427 0.941 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831277394 669838760 /nfs/dbraw/zinc/83/87/60/669838760.db2.gz WKDVGRLYXXQFPN-SNVBAGLBSA-N -1 1 358.807 0.911 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000833559329 669935091 /nfs/dbraw/zinc/93/50/91/669935091.db2.gz NGEHCRDYAJZOSQ-RYUDHWBXSA-N -1 1 353.385 0.653 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cn(C)nc2Cl)c1 ZINC000816778722 669979797 /nfs/dbraw/zinc/97/97/97/669979797.db2.gz ILANIYFDDJFBFE-UHFFFAOYSA-N -1 1 358.807 0.868 10 0 FCAEMM COCCN1CC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000867149871 670018560 /nfs/dbraw/zinc/01/85/60/670018560.db2.gz YQIYGIVXFMSAEZ-MCMMXHMISA-N -1 1 361.489 0.698 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CC2(C1)CNC(=O)O2 ZINC000817681561 670027291 /nfs/dbraw/zinc/02/72/91/670027291.db2.gz UXNAISOALMAPOC-UHFFFAOYSA-N -1 1 374.134 0.931 10 0 FCAEMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1COC(=O)N1)C(F)(F)F ZINC000817677921 670026673 /nfs/dbraw/zinc/02/66/73/670026673.db2.gz ORMFDZAXSJJSSM-UWVGGRQHSA-N -1 1 357.288 0.731 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1F)[N-]CC(F)F ZINC000867249632 670528837 /nfs/dbraw/zinc/52/88/37/670528837.db2.gz KBXHNRKVLZZSMZ-VHSXEESVSA-N -1 1 366.427 0.761 10 0 FCAEMM Cc1cn2ccnc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)c2n1 ZINC000843014925 670766820 /nfs/dbraw/zinc/76/68/20/670766820.db2.gz IMNDDHHRVXQJPV-UHFFFAOYSA-N -1 1 351.432 0.582 10 0 FCAEMM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843016123 670767359 /nfs/dbraw/zinc/76/73/59/670767359.db2.gz OYKJJATUSGJJSX-CQSZACIVSA-N -1 1 359.492 0.612 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3nnn(C)c3c2)CCC1 ZINC000843016888 670767491 /nfs/dbraw/zinc/76/74/91/670767491.db2.gz WTCNWPQOHMRQFL-UHFFFAOYSA-N -1 1 351.432 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)COc2ccc(C(N)=O)cc2)CCC1 ZINC000843019851 670769395 /nfs/dbraw/zinc/76/93/95/670769395.db2.gz ZJPWAZNTWVEXHY-UHFFFAOYSA-N -1 1 369.443 0.095 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COCC(=O)OC(C)(C)C)c1 ZINC000843889996 670866815 /nfs/dbraw/zinc/86/68/15/670866815.db2.gz AUHJOPSBYGLWPP-UHFFFAOYSA-N -1 1 374.415 0.597 10 0 FCAEMM CN1CC[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000867428066 671122853 /nfs/dbraw/zinc/12/28/53/671122853.db2.gz CVSFVYCQNWZULU-YTEVENLXSA-N -1 1 359.473 0.846 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCCS(C)(=O)=O)c1C(F)(F)F ZINC000867428759 671125107 /nfs/dbraw/zinc/12/51/07/671125107.db2.gz OHDIFMLXJQEVNL-UHFFFAOYSA-N -1 1 363.383 0.542 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)c1Cl ZINC000849415220 671340328 /nfs/dbraw/zinc/34/03/28/671340328.db2.gz JLGSYTYMQKBKPN-UHFFFAOYSA-N -1 1 355.869 0.567 10 0 FCAEMM O=C(COC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000850258374 671378220 /nfs/dbraw/zinc/37/82/20/671378220.db2.gz ZTNXHIMUQOYJQT-PJXYFTJBSA-N -1 1 355.293 0.980 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCC[C@@]2(O)CCOC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852397255 671505179 /nfs/dbraw/zinc/50/51/79/671505179.db2.gz IDIZWZUURBPDJY-UHIISALHSA-N -1 1 367.368 0.626 10 0 FCAEMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCN1CCCC1=O ZINC000852735404 671521041 /nfs/dbraw/zinc/52/10/41/671521041.db2.gz HQTCUQYFBWUXCO-GXSJLCMTSA-N -1 1 351.325 0.205 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CCN1CCCC1=O ZINC000852735404 671521045 /nfs/dbraw/zinc/52/10/45/671521045.db2.gz HQTCUQYFBWUXCO-GXSJLCMTSA-N -1 1 351.325 0.205 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1)OC ZINC000853207355 671542710 /nfs/dbraw/zinc/54/27/10/671542710.db2.gz BCHXZCGDLFSDFO-GFCCVEGCSA-N -1 1 354.388 0.193 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)c2c(F)cccc2Cl)COC1 ZINC000903174936 675918362 /nfs/dbraw/zinc/91/83/62/675918362.db2.gz AACKXMITOCKMQT-UHFFFAOYSA-N -1 1 357.812 0.571 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000854469055 671580225 /nfs/dbraw/zinc/58/02/25/671580225.db2.gz MTDFYCURYHNWRL-QEYWKRMJSA-N -1 1 350.341 0.314 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856416902 671687422 /nfs/dbraw/zinc/68/74/22/671687422.db2.gz YWIPMRDBEJRTQN-UTLUCORTSA-N -1 1 354.325 0.216 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@@H](O)Cc2cnn(C)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417355 671687497 /nfs/dbraw/zinc/68/74/97/671687497.db2.gz RLRXQEPFJBCCNH-USWWRNFRSA-N -1 1 362.352 0.239 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000856763983 671700965 /nfs/dbraw/zinc/70/09/65/671700965.db2.gz WLFRIZMINWDQLM-UHFFFAOYSA-N -1 1 364.733 0.304 10 0 FCAEMM CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858883258 671780843 /nfs/dbraw/zinc/78/08/43/671780843.db2.gz LUZSRVGVDFYRLR-UHFFFAOYSA-N -1 1 354.201 0.786 10 0 FCAEMM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CCN1 ZINC000859189823 671799232 /nfs/dbraw/zinc/79/92/32/671799232.db2.gz IMMUVKZSMRJAPC-ZETCQYMHSA-N -1 1 366.212 0.930 10 0 FCAEMM COCCN1CC[C@@H](NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000859271578 671805984 /nfs/dbraw/zinc/80/59/84/671805984.db2.gz FYRIFLNMGQMTTQ-SNVBAGLBSA-N -1 1 363.336 0.909 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)CCS(C)(=O)=O)CCCC(C)(C)C1 ZINC000859297867 671811650 /nfs/dbraw/zinc/81/16/50/671811650.db2.gz DUGYWUODFLEBTQ-ZDUSSCGKSA-N -1 1 355.478 0.462 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000859343264 671817806 /nfs/dbraw/zinc/81/78/06/671817806.db2.gz YZDSDRDQHVBRID-ZJUUUORDSA-N -1 1 365.839 0.710 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC2COC2)c(Br)o1 ZINC000859372465 671820436 /nfs/dbraw/zinc/82/04/36/671820436.db2.gz RFJBRNVKPNZGMM-UHFFFAOYSA-N -1 1 354.178 0.753 10 0 FCAEMM COC(=O)[C@@H]1CN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C[C@@H](C)O1 ZINC000859650560 671841207 /nfs/dbraw/zinc/84/12/07/671841207.db2.gz RVHABPQWRBJIPA-RISCZKNCSA-N -1 1 350.371 0.214 10 0 FCAEMM COCCCn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cn1 ZINC000860846634 671921177 /nfs/dbraw/zinc/92/11/77/671921177.db2.gz DOPGCZCBOTWIQU-UHFFFAOYSA-N -1 1 358.464 0.464 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCC1 ZINC000862955434 672090598 /nfs/dbraw/zinc/09/05/98/672090598.db2.gz RDAHWUDTROZRJI-ZDUSSCGKSA-N -1 1 351.403 0.412 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCN1CCN(c2ccccc2)CC1 ZINC000866472629 672276217 /nfs/dbraw/zinc/27/62/17/672276217.db2.gz CAERXJLQWFWCIJ-QHCPKHFHSA-N -1 1 374.532 0.761 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1nc(C2CC2)no1 ZINC000866723543 672292841 /nfs/dbraw/zinc/29/28/41/672292841.db2.gz FJUWUMPDQHWAHG-OLZOCXBDSA-N -1 1 358.464 0.894 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2cc3n(n2)CCCO3)c1C(F)(F)F ZINC000867475264 672321900 /nfs/dbraw/zinc/32/19/00/672321900.db2.gz QWUKLGHRDRCDID-UHFFFAOYSA-N -1 1 365.337 0.896 10 0 FCAEMM CN1CCN(Cc2ccccc2)[C@@H](C[N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC000867536227 672333402 /nfs/dbraw/zinc/33/34/02/672333402.db2.gz SOALOFCLVAVDLJ-HNNXBMFYSA-N -1 1 374.532 0.365 10 0 FCAEMM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867556495 672336524 /nfs/dbraw/zinc/33/65/24/672336524.db2.gz BJWIUUHOBHTHRJ-MRVPVSSYSA-N -1 1 353.322 0.979 10 0 FCAEMM COc1ccc(CN2CC[C@@H]2C[N-]S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000867558825 672336619 /nfs/dbraw/zinc/33/66/19/672336619.db2.gz BVGGJWCCZGYDGW-CYBMUJFWSA-N -1 1 361.489 0.832 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CCC(OC(C)(C)C)CC2)c(=O)n(C)c1=O ZINC000867616469 672348266 /nfs/dbraw/zinc/34/82/66/672348266.db2.gz SSUXFJITBWOUSH-UHFFFAOYSA-N -1 1 373.475 0.489 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]23COC(=O)N2CCOC3)c(F)c1 ZINC000867748623 672362572 /nfs/dbraw/zinc/36/25/72/672362572.db2.gz AZBDUFIILLCNGD-AWEZNQCLSA-N -1 1 362.354 0.773 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3ccc(C(F)F)o3)COCCN12 ZINC000867750200 672363251 /nfs/dbraw/zinc/36/32/51/672363251.db2.gz UKPKHQWBRVFBDV-LBPRGKRZSA-N -1 1 352.315 0.717 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1ccc(I)cc1[O-] ZINC000867950685 672381853 /nfs/dbraw/zinc/38/18/53/672381853.db2.gz YTOOSOUZMNYCAA-NSHDSACASA-N -1 1 351.140 0.470 10 0 FCAEMM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869390503 672430259 /nfs/dbraw/zinc/43/02/59/672430259.db2.gz WHSCEKWMVVFNSO-VIFPVBQESA-N -1 1 370.349 0.479 10 0 FCAEMM NC(=O)CSCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161463 672474057 /nfs/dbraw/zinc/47/40/57/672474057.db2.gz KAUVZGSKUUVXQE-UHFFFAOYSA-N -1 1 357.863 0.908 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)nc2C1 ZINC000870447059 672493142 /nfs/dbraw/zinc/49/31/42/672493142.db2.gz NKDPCYMVDZFVCE-GFCCVEGCSA-N -1 1 370.475 0.388 10 0 FCAEMM O=C(N[C@H]1CCCN2CCSC[C@@H]12)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000925170964 673781181 /nfs/dbraw/zinc/78/11/81/673781181.db2.gz OQKGXXDMCGXGHT-STQMWFEESA-N -1 1 366.491 0.979 10 0 FCAEMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000926331591 673823755 /nfs/dbraw/zinc/82/37/55/673823755.db2.gz GSHJJKJHXFIAFZ-KBXCAEBGSA-N -1 1 351.447 0.785 10 0 FCAEMM COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927784351 673881188 /nfs/dbraw/zinc/88/11/88/673881188.db2.gz FLTXQAGBFDYPHP-MWLCHTKSSA-N -1 1 358.341 0.778 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000927940964 673891909 /nfs/dbraw/zinc/89/19/09/673891909.db2.gz AVOGNHWMXKMRBX-CYBMUJFWSA-N -1 1 353.394 0.601 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccn(C)n3)C2)o1 ZINC000928188663 673904298 /nfs/dbraw/zinc/90/42/98/673904298.db2.gz RIYVYUISBGEOFC-LLVKDONJSA-N -1 1 352.416 0.941 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900743138 675712964 /nfs/dbraw/zinc/71/29/64/675712964.db2.gz ZWKBZFVZEADNED-VIFPVBQESA-N -1 1 353.375 0.843 10 0 FCAEMM C[C@@H](CCNC(=O)CNC(=O)c1ncccc1[O-])NC(=O)OC(C)(C)C ZINC001648908957 1169698513 /nfs/dbraw/zinc/69/85/13/1169698513.db2.gz MZPSTAJJUAJVGK-NSHDSACASA-N -1 1 366.418 0.937 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCN2CCCC2=O)CCN1C(=O)c1ncccc1[O-] ZINC001719616113 1170388832 /nfs/dbraw/zinc/38/88/32/1170388832.db2.gz WSGDFGFPYUWHHP-OLZOCXBDSA-N -1 1 360.414 0.519 10 0 FCAEMM O=C(NCCN(Cc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@]12C[C@H]1COC2 ZINC001267326333 1179819122 /nfs/dbraw/zinc/81/91/22/1179819122.db2.gz QOFCBDLLGUOCHX-SGTLLEGYSA-N -1 1 357.414 0.140 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001719745312 1179866017 /nfs/dbraw/zinc/86/60/17/1179866017.db2.gz XQIRZPVAYBVZDU-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM Cc1n[nH]c(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)C)c1[O-] ZINC001746821473 1181970592 /nfs/dbraw/zinc/97/05/92/1181970592.db2.gz STTFSVBDERTIPX-IJLUTSLNSA-N -1 1 360.418 0.821 10 0 FCAEMM CC(C)(CO)[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccnc1 ZINC001143480214 1182082389 /nfs/dbraw/zinc/08/23/89/1182082389.db2.gz SIIVAARRNZXUCT-INIZCTEOSA-N -1 1 358.398 0.788 10 0 FCAEMM COc1cc(CCNC(=O)CNC(=O)c2ncccc2[O-])cc(OC)c1 ZINC001648926187 1182870833 /nfs/dbraw/zinc/87/08/33/1182870833.db2.gz YQQXQEIXQPAYRT-UHFFFAOYSA-N -1 1 359.382 0.893 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719833779 1186169049 /nfs/dbraw/zinc/16/90/49/1186169049.db2.gz YSJODUQOIGOJKN-NDBYEHHHSA-N -1 1 360.414 0.564 10 0 FCAEMM COC(=O)c1coc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001687391226 1188352712 /nfs/dbraw/zinc/35/27/12/1188352712.db2.gz VZRYQLSJCLEGFE-UHFFFAOYSA-N -1 1 362.342 0.634 10 0 FCAEMM NC(=O)CN1CCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC1=O ZINC001299185665 1191118442 /nfs/dbraw/zinc/11/84/42/1191118442.db2.gz FUUJDAGJZBVXTP-UHFFFAOYSA-N -1 1 371.349 0.234 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NCC3N=NC(=O)N3C)c(=O)c2c(OC)c1 ZINC001143604146 1194056433 /nfs/dbraw/zinc/05/64/33/1194056433.db2.gz SAPDRNKDCVZBOJ-UHFFFAOYSA-N -1 1 359.342 0.309 10 0 FCAEMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@]1(C)C[C@H](O)CN1C ZINC000911315087 1195936850 /nfs/dbraw/zinc/93/68/50/1195936850.db2.gz JJPQDELAJBGXNE-AZOIQLNYSA-N -1 1 361.442 0.877 10 0 FCAEMM CC(=O)c1ccc([O-])c(CCOC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000744630754 1198324562 /nfs/dbraw/zinc/32/45/62/1198324562.db2.gz BWRNOGIYWNWBNW-UHFFFAOYSA-N -1 1 370.365 0.824 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000787663558 1200897393 /nfs/dbraw/zinc/89/73/93/1200897393.db2.gz WKKJWNIACRHCNY-WDEREUQCSA-N -1 1 366.418 0.800 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000791157413 1201129331 /nfs/dbraw/zinc/12/93/31/1201129331.db2.gz YRXHTRHHZKMKFZ-OAHLLOKOSA-N -1 1 359.382 0.233 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000794221115 1201286220 /nfs/dbraw/zinc/28/62/20/1201286220.db2.gz AJZXSGCZDNOMOU-JKSUJKDBSA-N -1 1 365.393 0.785 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)ccnc1-2 ZINC000806948141 1202799577 /nfs/dbraw/zinc/79/95/77/1202799577.db2.gz XBKHLMGUCNBKGG-OLZOCXBDSA-N -1 1 357.414 0.555 10 0 FCAEMM CC[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@]2(CCOC2)O1 ZINC000807070652 1202810510 /nfs/dbraw/zinc/81/05/10/1202810510.db2.gz VLYXLGYQGPQZIB-XIKOKIGWSA-N -1 1 373.413 0.077 10 0 FCAEMM CC[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@]2(CCOC2)O1 ZINC000807070644 1202810729 /nfs/dbraw/zinc/81/07/29/1202810729.db2.gz VLYXLGYQGPQZIB-KPZWWZAWSA-N -1 1 373.413 0.077 10 0 FCAEMM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000807716759 1202850362 /nfs/dbraw/zinc/85/03/62/1202850362.db2.gz DJEJTXAUCHHVEP-RYUDHWBXSA-N -1 1 366.418 0.441 10 0 FCAEMM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000816492208 1203068419 /nfs/dbraw/zinc/06/84/19/1203068419.db2.gz LFCQNSYGWSIQIC-AWEZNQCLSA-N -1 1 370.413 0.315 10 0 FCAEMM CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001136656332 1203245596 /nfs/dbraw/zinc/24/55/96/1203245596.db2.gz BUUVIULRROXHEQ-MCIGGMRASA-N -1 1 366.422 0.793 10 0 FCAEMM C[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843939479 1203326622 /nfs/dbraw/zinc/32/66/22/1203326622.db2.gz WLIQNKAUKRXPSX-STQMWFEESA-N -1 1 365.430 0.753 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)n[n-]1 ZINC001146855653 1204747365 /nfs/dbraw/zinc/74/73/65/1204747365.db2.gz LTJVUSBGUCQZKC-VIFPVBQESA-N -1 1 362.390 0.993 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)[n-]1 ZINC001146855653 1204747368 /nfs/dbraw/zinc/74/73/68/1204747368.db2.gz LTJVUSBGUCQZKC-VIFPVBQESA-N -1 1 362.390 0.993 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC001146855653 1204747371 /nfs/dbraw/zinc/74/73/71/1204747371.db2.gz LTJVUSBGUCQZKC-VIFPVBQESA-N -1 1 362.390 0.993 10 0 FCAEMM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175553041 1206305563 /nfs/dbraw/zinc/30/55/63/1206305563.db2.gz SPRNWMMIHJTWHN-QENILXLESA-N -1 1 369.364 0.648 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1COc2c(F)cc(F)cc2C1 ZINC001180579098 1206396064 /nfs/dbraw/zinc/39/60/64/1206396064.db2.gz PISDAVDUOVRASS-LLVKDONJSA-N -1 1 363.320 0.915 10 0 FCAEMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001487544252 1208378648 /nfs/dbraw/zinc/37/86/48/1208378648.db2.gz AGGQFTABBVWJEC-XQQFMLRXSA-N -1 1 362.430 0.704 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001488412637 1208511899 /nfs/dbraw/zinc/51/18/99/1208511899.db2.gz UICUHQZRUINAMA-YNEHKIRRSA-N -1 1 359.382 0.733 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2ccccn2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489125109 1208633896 /nfs/dbraw/zinc/63/38/96/1208633896.db2.gz JZLSWYJAZMLMEF-LSDHHAIUSA-N -1 1 358.446 0.605 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CNC(=O)C(C)(C)C ZINC001490362383 1209337957 /nfs/dbraw/zinc/33/79/57/1209337957.db2.gz SQODCCJYCYYHSP-GHMZBOCLSA-N -1 1 360.418 0.288 10 0 FCAEMM CCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001490439281 1209339799 /nfs/dbraw/zinc/33/97/99/1209339799.db2.gz IAHGZTNPMKJOHM-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)CC1 ZINC001490656871 1209406551 /nfs/dbraw/zinc/40/65/51/1209406551.db2.gz YCJNNLKILRAOCW-RDBSUJKOSA-N -1 1 374.441 0.365 10 0 FCAEMM CCOC(=O)[C@@]1(F)CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC12CCC2 ZINC000855246933 1209663528 /nfs/dbraw/zinc/66/35/28/1209663528.db2.gz XGHDUKKSDWWGSP-KRWDZBQOSA-N -1 1 367.377 0.211 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]2CCCC[C@@H]12 ZINC000855642987 1209676848 /nfs/dbraw/zinc/67/68/48/1209676848.db2.gz NEKUHIAZVGPHSV-BFHYXJOUSA-N -1 1 363.414 0.507 10 0 FCAEMM COC(=O)N(C)CCN(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000855892380 1209685624 /nfs/dbraw/zinc/68/56/24/1209685624.db2.gz ZEPVXRMJNKWMPD-UHFFFAOYSA-N -1 1 373.413 0.839 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)COCC(=O)OC(C)(C)C)nc2n1 ZINC000857684702 1209757645 /nfs/dbraw/zinc/75/76/45/1209757645.db2.gz NDLXPGOGBFYFCR-UHFFFAOYSA-N -1 1 365.390 0.667 10 0 FCAEMM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000859277789 1209815377 /nfs/dbraw/zinc/81/53/77/1209815377.db2.gz BHVGQZLVRVHXNC-IUCAKERBSA-N -1 1 371.323 0.893 10 0 FCAEMM CN1CC(=O)Nc2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)cnc21 ZINC000861538185 1209870311 /nfs/dbraw/zinc/87/03/11/1209870311.db2.gz QUQGAQWAITXKKJ-UHFFFAOYSA-N -1 1 358.358 0.578 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926386621 1211543086 /nfs/dbraw/zinc/54/30/86/1211543086.db2.gz IFGDATMIJSGOGF-LSDHHAIUSA-N -1 1 365.474 0.888 10 0 FCAEMM O=C(NCCOC[C@@H]1CCCO1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929787329 1211660701 /nfs/dbraw/zinc/66/07/01/1211660701.db2.gz KDUDTBMQVIIJBW-LBPRGKRZSA-N -1 1 372.368 0.641 10 0 FCAEMM CC(C)N1CC[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1=O ZINC000930191025 1211695032 /nfs/dbraw/zinc/69/50/32/1211695032.db2.gz TWIFMBYGRYHINO-AWEZNQCLSA-N -1 1 369.368 0.455 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000801130198 1218069879 /nfs/dbraw/zinc/06/98/79/1218069879.db2.gz KZLPQNFWXXKGHQ-IBGZPJMESA-N -1 1 357.410 0.479 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@H]3C)CC2)n1 ZINC001117059249 1221450279 /nfs/dbraw/zinc/45/02/79/1221450279.db2.gz BJFUUTJQSRQDSJ-PWSUYJOCSA-N -1 1 363.418 0.460 10 0 FCAEMM COC(=O)[C@H](CCF)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC001118333993 1221762757 /nfs/dbraw/zinc/76/27/57/1221762757.db2.gz MHGRRYXLPMSMHR-NSHDSACASA-N -1 1 363.349 0.508 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)CCOC1 ZINC001119574497 1221935064 /nfs/dbraw/zinc/93/50/64/1221935064.db2.gz CZGNMBIUVVOYJR-NLJSWGTCSA-N -1 1 374.393 0.816 10 0 FCAEMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)C1 ZINC001119654436 1221945695 /nfs/dbraw/zinc/94/56/95/1221945695.db2.gz WXVZWHGHUXVOAS-NVXWUHKLSA-N -1 1 368.474 0.857 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001123207167 1222324304 /nfs/dbraw/zinc/32/43/04/1222324304.db2.gz HZCDQIAUJXBEJC-UHFFFAOYSA-N -1 1 369.389 0.556 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC001123207167 1222324309 /nfs/dbraw/zinc/32/43/09/1222324309.db2.gz HZCDQIAUJXBEJC-UHFFFAOYSA-N -1 1 369.389 0.556 10 0 FCAEMM C[C@]1(C(F)(F)F)CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001123488321 1222334970 /nfs/dbraw/zinc/33/49/70/1222334970.db2.gz HXLFPNLQRUFLNG-CYBMUJFWSA-N -1 1 372.355 0.950 10 0 FCAEMM C[C@]1(C(F)(F)F)CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001123488321 1222334974 /nfs/dbraw/zinc/33/49/74/1222334974.db2.gz HXLFPNLQRUFLNG-CYBMUJFWSA-N -1 1 372.355 0.950 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccn2nnnc2c1 ZINC001137782843 1222432483 /nfs/dbraw/zinc/43/24/83/1222432483.db2.gz SEEFMRBNASYFQB-UHFFFAOYSA-N -1 1 374.382 0.523 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCN2CCOc3cccc1c32 ZINC001137862525 1222441488 /nfs/dbraw/zinc/44/14/88/1222441488.db2.gz OVAFARHBSSPROR-UHFFFAOYSA-N -1 1 354.366 0.763 10 0 FCAEMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001142103143 1222807012 /nfs/dbraw/zinc/80/70/12/1222807012.db2.gz APIMNQXYHUDIQS-CYBMUJFWSA-N -1 1 371.441 0.620 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847269927 1245332393 /nfs/dbraw/zinc/33/23/93/1245332393.db2.gz PRXOBFSUMUNVKW-GFCCVEGCSA-N -1 1 359.386 0.694 10 0 FCAEMM O=C(NCC1CC1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001515141700 1265444234 /nfs/dbraw/zinc/44/42/34/1265444234.db2.gz UQSBPFBGDWHGTE-QWHCGFSZSA-N -1 1 360.414 0.328 10 0 FCAEMM C[C@H](CC(N)=O)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001515328287 1265504796 /nfs/dbraw/zinc/50/47/96/1265504796.db2.gz VSNRVVDLASIOLD-UPJWGTAASA-N -1 1 362.430 0.656 10 0 FCAEMM COC1(C(F)(F)F)CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)C1 ZINC001518187979 1265652450 /nfs/dbraw/zinc/65/24/50/1265652450.db2.gz CTOBSLPWRDWWGT-UHFFFAOYSA-N -1 1 358.328 0.560 10 0 FCAEMM COC1(C(F)(F)F)CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)C1 ZINC001518187979 1265652454 /nfs/dbraw/zinc/65/24/54/1265652454.db2.gz CTOBSLPWRDWWGT-UHFFFAOYSA-N -1 1 358.328 0.560 10 0 FCAEMM CCOCCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001520774851 1265995747 /nfs/dbraw/zinc/99/57/47/1265995747.db2.gz LORDVVOUKLZLOY-RDBSUJKOSA-N -1 1 365.430 0.948 10 0 FCAEMM Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001331281484 1266183928 /nfs/dbraw/zinc/18/39/28/1266183928.db2.gz VKITUXCJSZTRBU-LBPRGKRZSA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1cc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001331281484 1266183935 /nfs/dbraw/zinc/18/39/35/1266183935.db2.gz VKITUXCJSZTRBU-LBPRGKRZSA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001331281473 1266184016 /nfs/dbraw/zinc/18/40/16/1266184016.db2.gz VKITUXCJSZTRBU-GFCCVEGCSA-N -1 1 373.413 0.416 10 0 FCAEMM Cc1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001331281473 1266184023 /nfs/dbraw/zinc/18/40/23/1266184023.db2.gz VKITUXCJSZTRBU-GFCCVEGCSA-N -1 1 373.413 0.416 10 0 FCAEMM CC(C)[C@H](CNC(=O)C(=O)N1CCC(C)(N2CCOCC2)CC1)C(=O)[O-] ZINC001331572866 1266238499 /nfs/dbraw/zinc/23/84/99/1266238499.db2.gz MCHQISRCDWSXPB-AWEZNQCLSA-N -1 1 369.462 0.173 10 0 FCAEMM C[C@H](C(=O)[N-]OCCN1CCCC1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001168627458 1259389952 /nfs/dbraw/zinc/38/99/52/1259389952.db2.gz PYABHUNBYJYCLN-QWHCGFSZSA-N -1 1 373.450 0.521 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)CCOC1 ZINC001335428430 1259659710 /nfs/dbraw/zinc/65/97/10/1259659710.db2.gz DXJNXEBAPSSDFH-YJBOKZPZSA-N -1 1 366.389 0.637 10 0 FCAEMM O=C([O-])CN1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 ZINC001335448317 1259667460 /nfs/dbraw/zinc/66/74/60/1259667460.db2.gz MGYPKERCBXUHSM-UHFFFAOYSA-N -1 1 352.412 0.643 10 0 FCAEMM COCCOC[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254489113 1259886579 /nfs/dbraw/zinc/88/65/79/1259886579.db2.gz QMLRRJFODBVDPX-GFCCVEGCSA-N -1 1 366.418 0.449 10 0 FCAEMM O=C(NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266227632 1260423211 /nfs/dbraw/zinc/42/32/11/1260423211.db2.gz TXXVKSDOZDGCLS-GNIPQWQFSA-N -1 1 361.446 0.795 10 0 FCAEMM CN(C)Cc1ccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001332174221 1266349408 /nfs/dbraw/zinc/34/94/08/1266349408.db2.gz BIORUOJNKNYKDI-GOSISDBHSA-N -1 1 362.430 0.145 10 0 FCAEMM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)CCc3cnc[nH]3)C2)c1[O-] ZINC001282109757 1261342042 /nfs/dbraw/zinc/34/20/42/1261342042.db2.gz IHIOXRWLIBRSIE-NWDGAFQWSA-N -1 1 360.418 0.794 10 0 FCAEMM CCCCS(=O)(=O)NCC(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001472022460 1261425751 /nfs/dbraw/zinc/42/57/51/1261425751.db2.gz XCTUOTIFPAUXRH-UHFFFAOYSA-N -1 1 360.436 0.262 10 0 FCAEMM CC[C@H](O)Cn1cc(C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)nn1 ZINC001472021697 1261425916 /nfs/dbraw/zinc/42/59/16/1261425916.db2.gz HNHHOQRPVFXLNM-VIFPVBQESA-N -1 1 350.379 0.218 10 0 FCAEMM COC(=O)CCCO[N-]C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001472107393 1261437702 /nfs/dbraw/zinc/43/77/02/1261437702.db2.gz AFLNFHRFWFBHMZ-RYUDHWBXSA-N -1 1 362.423 0.851 10 0 FCAEMM COC(=O)[C@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)[C@@H]1CCOC1 ZINC001472398206 1261463304 /nfs/dbraw/zinc/46/33/04/1261463304.db2.gz CWDISKWFIFEQQS-NXEZZACHSA-N -1 1 355.416 0.768 10 0 FCAEMM O=C(CCCF)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001522196530 1266412297 /nfs/dbraw/zinc/41/22/97/1266412297.db2.gz WWLYDDDUWQSWMA-SCVCMEIPSA-N -1 1 362.365 0.029 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(C)C ZINC001285333666 1261832051 /nfs/dbraw/zinc/83/20/51/1261832051.db2.gz JISRDEBWVJEZPW-MXWKQRLJSA-N -1 1 366.418 0.813 10 0 FCAEMM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001287785989 1261975692 /nfs/dbraw/zinc/97/56/92/1261975692.db2.gz HSNAZHMTLKTENG-FRRDWIJNSA-N -1 1 360.414 0.313 10 0 FCAEMM CC/C=C(\C)C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001289627095 1262277933 /nfs/dbraw/zinc/27/79/33/1262277933.db2.gz MQZBYGMJIMUZLU-JIEHESFCSA-N -1 1 360.414 0.717 10 0 FCAEMM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1CCCC1 ZINC001289702957 1262315706 /nfs/dbraw/zinc/31/57/06/1262315706.db2.gz NCMPANVGSQFDSE-IVMMDQJWSA-N -1 1 363.414 0.294 10 0 FCAEMM COc1cc(CNC(=O)c2cnncc2[O-])ccc1OCC(=O)N(C)C ZINC001291544306 1262557070 /nfs/dbraw/zinc/55/70/70/1262557070.db2.gz ASRCAJKVFPGWKM-UHFFFAOYSA-N -1 1 360.370 0.588 10 0 FCAEMM COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001292141665 1262653606 /nfs/dbraw/zinc/65/36/06/1262653606.db2.gz NBTXKYMWVBRUGU-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM COC(=O)c1ccc(OCCNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001293235395 1262714010 /nfs/dbraw/zinc/71/40/10/1262714010.db2.gz AJHINKQTMISBAK-UHFFFAOYSA-N -1 1 373.365 0.499 10 0 FCAEMM O=C(c1cc(N2CCOCC2)ncn1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001296864223 1262841373 /nfs/dbraw/zinc/84/13/73/1262841373.db2.gz HKGFPPHSFHPHBY-LLVKDONJSA-N -1 1 360.374 0.422 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C3CCN(OC)CC3)CC2)n1 ZINC001297218129 1262855085 /nfs/dbraw/zinc/85/50/85/1262855085.db2.gz QJKCKYVOMSXPBP-UHFFFAOYSA-N -1 1 365.434 0.961 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1C[C@H](CO)Cc2cccc(F)c21 ZINC001300168040 1262984351 /nfs/dbraw/zinc/98/43/51/1262984351.db2.gz GNZFGXWLOPATFX-LLVKDONJSA-N -1 1 359.357 0.854 10 0 FCAEMM Cc1c(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)nnn1-c1ccc(C)cc1 ZINC001302137389 1263033290 /nfs/dbraw/zinc/03/32/90/1263033290.db2.gz NSVLGHQUMTZIES-HNNXBMFYSA-N -1 1 368.401 0.540 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001303199625 1263082787 /nfs/dbraw/zinc/08/27/87/1263082787.db2.gz LJIWLUKMDDKRCF-UHFFFAOYSA-N -1 1 359.394 0.199 10 0 FCAEMM CS(=O)(=O)CCCCCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001478480288 1263135723 /nfs/dbraw/zinc/13/57/23/1263135723.db2.gz MLMXGQVAZRYSAN-UHFFFAOYSA-N -1 1 372.447 0.269 10 0 FCAEMM CC1(C)CC[C@@H](O)[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001479155612 1263172866 /nfs/dbraw/zinc/17/28/66/1263172866.db2.gz AMLDETYXDHZBFF-CHWSQXEVSA-N -1 1 350.419 0.994 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCCC12OCCO2 ZINC001479155831 1263173201 /nfs/dbraw/zinc/17/32/01/1263173201.db2.gz CZXZGKZMIMXYHI-GFCCVEGCSA-N -1 1 350.375 0.350 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H](C)C(OC)OC)CC2)n1 ZINC001479156730 1263174159 /nfs/dbraw/zinc/17/41/59/1263174159.db2.gz LCRKRVCHUXETNJ-JTQLQIEISA-N -1 1 369.422 0.878 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001316802425 1263490837 /nfs/dbraw/zinc/49/08/37/1263490837.db2.gz YFOYHQDYRYWRMO-HIFRSBDPSA-N -1 1 359.430 0.657 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1CCC(C(N)=O)CC1 ZINC001318513760 1263581659 /nfs/dbraw/zinc/58/16/59/1263581659.db2.gz NKIKFOUYOIDVTL-UHFFFAOYSA-N -1 1 369.425 0.843 10 0 FCAEMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001498466004 1263976445 /nfs/dbraw/zinc/97/64/45/1263976445.db2.gz SJQACSWIUJZQSF-TUKIKUTGSA-N -1 1 361.421 0.988 10 0 FCAEMM C/C=C(\C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001515016494 1265399829 /nfs/dbraw/zinc/39/98/29/1265399829.db2.gz VMCVJPMKODAXBM-RWDFKDKASA-N -1 1 362.430 0.294 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@H](C)[S@](C)=O ZINC001333519747 1266622639 /nfs/dbraw/zinc/62/26/39/1266622639.db2.gz CLUONGOYGSTPJQ-FTJNGKRUSA-N -1 1 362.455 0.956 10 0 FCAEMM CC1(C)CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)CCS1 ZINC001526302944 1266797987 /nfs/dbraw/zinc/79/79/87/1266797987.db2.gz IVMUPDKCKOYGMN-SNVBAGLBSA-N -1 1 350.452 0.827 10 0 FCAEMM CC1(C)CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)CCS1 ZINC001526302944 1266797991 /nfs/dbraw/zinc/79/79/91/1266797991.db2.gz IVMUPDKCKOYGMN-SNVBAGLBSA-N -1 1 350.452 0.827 10 0 FCAEMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2nnn[n-]2)n1C[C@H]1CCOC1 ZINC001526305785 1266800435 /nfs/dbraw/zinc/80/04/35/1266800435.db2.gz WWEWBIVLHUQEKX-OUAUKWLOSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001526305785 1266800443 /nfs/dbraw/zinc/80/04/43/1266800443.db2.gz WWEWBIVLHUQEKX-OUAUKWLOSA-N -1 1 350.452 0.825 10 0 FCAEMM CC(C)Cc1nsc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)n1 ZINC001527843171 1266928746 /nfs/dbraw/zinc/92/87/46/1266928746.db2.gz ZEMCJCPGGBCLFV-UHFFFAOYSA-N -1 1 370.460 0.820 10 0 FCAEMM CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001334345622 1266958288 /nfs/dbraw/zinc/95/82/88/1266958288.db2.gz MUUVNZFQUKPWSE-SNVBAGLBSA-N -1 1 355.341 0.066 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(Cn2ccnc2)c1 ZINC001540782339 1267464116 /nfs/dbraw/zinc/46/41/16/1267464116.db2.gz KEZPHXYHJHECEA-UHFFFAOYSA-N -1 1 353.382 0.488 10 0 FCAEMM O=C(c1c[nH]cc2nc(C(F)(F)F)nc1-2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001542946491 1267514681 /nfs/dbraw/zinc/51/46/81/1267514681.db2.gz VDJRIFCIAXZXOE-MRVPVSSYSA-N -1 1 368.279 0.704 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC001543169425 1267529051 /nfs/dbraw/zinc/52/90/51/1267529051.db2.gz PNRAHTNAVVUGED-UHFFFAOYSA-N -1 1 360.374 0.454 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CNC(=O)c4ccccc43)nc2n1 ZINC001543195817 1267531632 /nfs/dbraw/zinc/53/16/32/1267531632.db2.gz DIAPIKIZNDUHDD-ZDUSSCGKSA-N -1 1 366.381 0.836 10 0 FCAEMM Cc1cc(C=O)c(O)c(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1 ZINC001543504363 1267551549 /nfs/dbraw/zinc/55/15/49/1267551549.db2.gz LHBUDSKPFZIYIK-UHFFFAOYSA-N -1 1 356.385 0.988 10 0 FCAEMM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001545875407 1267628133 /nfs/dbraw/zinc/62/81/33/1267628133.db2.gz VPGBLAOVZHKXMU-NSHDSACASA-N -1 1 366.447 0.989 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN(CC(F)F)C2)c1 ZINC001546106948 1267635436 /nfs/dbraw/zinc/63/54/36/1267635436.db2.gz SVDHXOQVTUDVPW-SECBINFHSA-N -1 1 363.386 0.955 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CCCCO ZINC001338861053 1268108010 /nfs/dbraw/zinc/10/80/10/1268108010.db2.gz LORIYGIZOXSVRN-UHFFFAOYSA-N -1 1 352.435 0.491 10 0 FCAEMM C=CS(=O)(=O)CCC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001339291318 1268206157 /nfs/dbraw/zinc/20/61/57/1268206157.db2.gz PBYBOZVJEQMTRW-ZJUUUORDSA-N -1 1 356.366 0.850 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001339500913 1268254395 /nfs/dbraw/zinc/25/43/95/1268254395.db2.gz LQAUSRJNGHPWGZ-QGZVFWFLSA-N -1 1 361.402 0.602 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001339949599 1268384162 /nfs/dbraw/zinc/38/41/62/1268384162.db2.gz DRQIXRBJMNXXEB-VHSXEESVSA-N -1 1 374.488 0.660 10 0 FCAEMM O=C(CCCn1ccnn1)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001340984318 1268734100 /nfs/dbraw/zinc/73/41/00/1268734100.db2.gz GREOJJGMFKDWNB-UONOGXRCSA-N -1 1 370.413 0.532 10 0 FCAEMM C[C@@H](CN(C)C(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1nn[n-]n1 ZINC001556102980 1268813734 /nfs/dbraw/zinc/81/37/34/1268813734.db2.gz BPYUTHNLZCXCPF-JTQLQIEISA-N -1 1 354.411 0.445 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001556102999 1268813781 /nfs/dbraw/zinc/81/37/81/1268813781.db2.gz CKOLRESQYSJINI-MXWKQRLJSA-N -1 1 354.411 0.444 10 0 FCAEMM CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCc1n[n-]c(=S)o1 ZINC001556283872 1268840389 /nfs/dbraw/zinc/84/03/89/1268840389.db2.gz IIYOJLZETYBAEA-NSHDSACASA-N -1 1 366.447 0.514 10 0 FCAEMM Cc1cc2c(cc1NC(=O)CCn1cc[n-]c(=O)c1=O)sc(=O)n2C ZINC001557436921 1268947775 /nfs/dbraw/zinc/94/77/75/1268947775.db2.gz HDVHFERXQLCENS-UHFFFAOYSA-N -1 1 360.395 0.787 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001341364556 1268956636 /nfs/dbraw/zinc/95/66/36/1268956636.db2.gz HOBSSICYLOVPCW-ZLKJLUDKSA-N -1 1 362.430 0.797 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc2c1NC(=O)CO2 ZINC001558048987 1269012762 /nfs/dbraw/zinc/01/27/62/1269012762.db2.gz NFCZILSRVFDOSM-UHFFFAOYSA-N -1 1 356.338 0.516 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001558163104 1269038523 /nfs/dbraw/zinc/03/85/23/1269038523.db2.gz DJXXCDURWRECRW-GOSISDBHSA-N -1 1 372.429 0.591 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)[n-]c1=O ZINC001558702984 1269132729 /nfs/dbraw/zinc/13/27/29/1269132729.db2.gz DAOQDGDFKBXGRY-IJLUTSLNSA-N -1 1 360.374 0.455 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)[n-]c1=O ZINC001558702069 1269132796 /nfs/dbraw/zinc/13/27/96/1269132796.db2.gz KVXAFZHAQFJTFI-GFCCVEGCSA-N -1 1 364.402 0.493 10 0 FCAEMM CS(=O)(=O)Cc1noc([N-]C(=O)c2cnc(OCC3CC3)cn2)n1 ZINC001342345501 1269437007 /nfs/dbraw/zinc/43/70/07/1269437007.db2.gz BDGAFDJQNXUNST-UHFFFAOYSA-N -1 1 353.360 0.445 10 0 FCAEMM CC(C)(C)OC(=O)N1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001567276126 1269683684 /nfs/dbraw/zinc/68/36/84/1269683684.db2.gz CVRQGJMIXXSBEA-UHFFFAOYSA-N -1 1 350.375 0.901 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1c[nH]nc1I)c1nn[n-]n1 ZINC001567309946 1269687807 /nfs/dbraw/zinc/68/78/07/1269687807.db2.gz OYHTVLFSRWNJHX-YFKPBYRVSA-N -1 1 361.147 0.403 10 0 FCAEMM CCC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001343014274 1269730215 /nfs/dbraw/zinc/73/02/15/1269730215.db2.gz YWDNTSKEJZARIV-MRVWCRGKSA-N -1 1 351.403 0.558 10 0 FCAEMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CNC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001570025139 1269831967 /nfs/dbraw/zinc/83/19/67/1269831967.db2.gz HVARGEQFAQVRSB-BFHYXJOUSA-N -1 1 360.414 0.280 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001344025824 1270078271 /nfs/dbraw/zinc/07/82/71/1270078271.db2.gz ZWIVLMPCOFUITC-BFHYXJOUSA-N -1 1 364.446 0.516 10 0 FCAEMM O=C(CC[C@H]1CCCCO1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001573036131 1270553386 /nfs/dbraw/zinc/55/33/86/1270553386.db2.gz QXRNZOLDKAUYGJ-NFAWXSAZSA-N -1 1 363.414 0.438 10 0 FCAEMM CCCC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001573047766 1270565969 /nfs/dbraw/zinc/56/59/69/1270565969.db2.gz FIROMSDDAZCWJB-CHWSQXEVSA-N -1 1 360.414 0.376 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)CC(C)C ZINC001573277157 1270734156 /nfs/dbraw/zinc/73/41/56/1270734156.db2.gz LQBRCQFSLWESFL-UONOGXRCSA-N -1 1 364.446 0.469 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@@H](C)SC)[C@H]1C ZINC001573444762 1270779338 /nfs/dbraw/zinc/77/93/38/1270779338.db2.gz AUXXPIKBVKHBBM-HLTSFMKQSA-N -1 1 370.431 0.367 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001573481232 1270790399 /nfs/dbraw/zinc/79/03/99/1270790399.db2.gz YGHMIPRVDMPFPM-OJLMFNQTSA-N -1 1 364.402 0.972 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2cnn(C)n2)CCN1C(=O)c1ncccc1[O-] ZINC001573606444 1270842702 /nfs/dbraw/zinc/84/27/02/1270842702.db2.gz UCPUNNPLELMBRI-YPMHNXCESA-N -1 1 358.402 0.268 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001573970652 1270965239 /nfs/dbraw/zinc/96/52/39/1270965239.db2.gz WWNFHOOWHFZYFJ-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM C[C@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001716031919 1287368717 /nfs/dbraw/zinc/36/87/17/1287368717.db2.gz KIWXZNMWKWRLBB-VAGZCVSGSA-N -1 1 373.457 0.774 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)CC1CCCC1 ZINC001603597678 1287433629 /nfs/dbraw/zinc/43/36/29/1287433629.db2.gz YQUFRHNWJRXZJT-CYBMUJFWSA-N -1 1 351.403 0.412 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001582567714 1281753460 /nfs/dbraw/zinc/75/34/60/1281753460.db2.gz GFZSLFAJHISSFQ-HZSPNIEDSA-N -1 1 357.414 0.949 10 0 FCAEMM COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001631818404 1282117146 /nfs/dbraw/zinc/11/71/46/1282117146.db2.gz YGJDDABDHYACLD-INIZCTEOSA-N -1 1 353.423 0.729 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnc4ccnn4c3C(F)F)nc2n1 ZINC001584141925 1282137100 /nfs/dbraw/zinc/13/71/00/1282137100.db2.gz LZESYQBIDPTZBN-UHFFFAOYSA-N -1 1 360.284 0.959 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)n[n-]1 ZINC001584176183 1282141206 /nfs/dbraw/zinc/14/12/06/1282141206.db2.gz LJSXLQSVSRJOPQ-DTWKUNHWSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)[n-]1 ZINC001584176183 1282141208 /nfs/dbraw/zinc/14/12/08/1282141208.db2.gz LJSXLQSVSRJOPQ-DTWKUNHWSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)n1 ZINC001584176183 1282141211 /nfs/dbraw/zinc/14/12/11/1282141211.db2.gz LJSXLQSVSRJOPQ-DTWKUNHWSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cn2c(C)c(C)sc2=O)n[n-]1 ZINC001584176404 1282141247 /nfs/dbraw/zinc/14/12/47/1282141247.db2.gz NDSPQNPHLWUSEH-ZETCQYMHSA-N -1 1 353.404 0.699 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cn2c(C)c(C)sc2=O)[n-]1 ZINC001584176404 1282141249 /nfs/dbraw/zinc/14/12/49/1282141249.db2.gz NDSPQNPHLWUSEH-ZETCQYMHSA-N -1 1 353.404 0.699 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cn2c(C)c(C)sc2=O)n1 ZINC001584176404 1282141252 /nfs/dbraw/zinc/14/12/52/1282141252.db2.gz NDSPQNPHLWUSEH-ZETCQYMHSA-N -1 1 353.404 0.699 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CN2CCc3ccccc3C2=O)n[n-]1 ZINC001584176636 1282141364 /nfs/dbraw/zinc/14/13/64/1282141364.db2.gz RUBWYBHKQVLGAG-LLVKDONJSA-N -1 1 371.397 0.857 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CN2CCc3ccccc3C2=O)[n-]1 ZINC001584176636 1282141368 /nfs/dbraw/zinc/14/13/68/1282141368.db2.gz RUBWYBHKQVLGAG-LLVKDONJSA-N -1 1 371.397 0.857 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CN2CCc3ccccc3C2=O)n1 ZINC001584176636 1282141371 /nfs/dbraw/zinc/14/13/71/1282141371.db2.gz RUBWYBHKQVLGAG-LLVKDONJSA-N -1 1 371.397 0.857 10 0 FCAEMM Cc1ccc(OCC(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)cc1 ZINC001584564642 1282160118 /nfs/dbraw/zinc/16/01/18/1282160118.db2.gz ZWSCJHSYPNDECR-UHFFFAOYSA-N -1 1 358.402 0.191 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCc2nn[n-]n2)C1 ZINC001584967632 1282185745 /nfs/dbraw/zinc/18/57/45/1282185745.db2.gz BBLVLPBUKSPLEZ-ZUZCIYMTSA-N -1 1 352.395 0.090 10 0 FCAEMM COc1cccc2c(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cnn21 ZINC001632570864 1282187678 /nfs/dbraw/zinc/18/76/78/1282187678.db2.gz JBSXEJHIFHQQHW-UHFFFAOYSA-N -1 1 362.367 0.948 10 0 FCAEMM COc1ncc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cn1 ZINC001632592253 1282189631 /nfs/dbraw/zinc/18/96/31/1282189631.db2.gz YOAMWZFYWCJONT-UHFFFAOYSA-N -1 1 364.383 0.884 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC001585007185 1282191246 /nfs/dbraw/zinc/19/12/46/1282191246.db2.gz GLVUTWQRUWIIIR-UHFFFAOYSA-N -1 1 354.367 0.450 10 0 FCAEMM Nc1c(F)cc(Br)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001632776812 1282206583 /nfs/dbraw/zinc/20/65/83/1282206583.db2.gz ZWEBPVPTGLDRSQ-SECBINFHSA-N -1 1 371.170 0.897 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNS(=O)(=O)c1ccccc1F ZINC001633521427 1282249910 /nfs/dbraw/zinc/24/99/10/1282249910.db2.gz SENYNBVNOPGUQH-UHFFFAOYSA-N -1 1 370.410 0.302 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC001633521567 1282251146 /nfs/dbraw/zinc/25/11/46/1282251146.db2.gz UGJAJOIVNSURCD-UHFFFAOYSA-N -1 1 360.466 0.830 10 0 FCAEMM Cc1cn(C2CCOCC2)nc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895521 1282281666 /nfs/dbraw/zinc/28/16/66/1282281666.db2.gz HVYGGLGLFMRTRN-UHFFFAOYSA-N -1 1 361.406 0.180 10 0 FCAEMM O=C([C@H]1C[C@H](c2ccccc2)OC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895761 1282281702 /nfs/dbraw/zinc/28/17/02/1282281702.db2.gz QEVIAEFZYHZSKM-CHWSQXEVSA-N -1 1 357.370 0.314 10 0 FCAEMM O=C([C@H]1C[C@@H](c2ccccc2)OC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895762 1282282276 /nfs/dbraw/zinc/28/22/76/1282282276.db2.gz QEVIAEFZYHZSKM-OLZOCXBDSA-N -1 1 357.370 0.314 10 0 FCAEMM Nc1c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)ccnc1-c1ccccc1 ZINC001633895468 1282282755 /nfs/dbraw/zinc/28/27/55/1282282755.db2.gz FLTAQMSZVSNOFR-UHFFFAOYSA-N -1 1 365.397 0.968 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)/C=C\c3cncc(C(=O)NC)c3)nc2n1 ZINC001587188383 1282341145 /nfs/dbraw/zinc/34/11/45/1282341145.db2.gz RPVDRAPHVBABLE-PLNGDYQASA-N -1 1 367.369 0.387 10 0 FCAEMM O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001587876099 1282384497 /nfs/dbraw/zinc/38/44/97/1282384497.db2.gz VACGYBPWGPGCTR-UHFFFAOYSA-N -1 1 365.397 0.830 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001587906140 1282387540 /nfs/dbraw/zinc/38/75/40/1282387540.db2.gz FDOLSMVLBGQFMT-KGLIPLIRSA-N -1 1 362.430 0.277 10 0 FCAEMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001635285497 1282392679 /nfs/dbraw/zinc/39/26/79/1282392679.db2.gz BFNJYZKWOSRFGT-CYBMUJFWSA-N -1 1 368.459 0.893 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(O)CCC2(CC1)OCCO2 ZINC001635273040 1282392739 /nfs/dbraw/zinc/39/27/39/1282392739.db2.gz CUGJMIVUXNOYIS-UHFFFAOYSA-N -1 1 355.416 0.557 10 0 FCAEMM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001588217292 1282409168 /nfs/dbraw/zinc/40/91/68/1282409168.db2.gz FAVMSCNGNNSSQW-CHWSQXEVSA-N -1 1 354.370 0.035 10 0 FCAEMM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001636327333 1282486497 /nfs/dbraw/zinc/48/64/97/1282486497.db2.gz OTMZXOXOUASKDZ-CQSZACIVSA-N -1 1 372.385 0.106 10 0 FCAEMM CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(=O)OC ZINC001637134906 1282567296 /nfs/dbraw/zinc/56/72/96/1282567296.db2.gz LZDOGTQGIUPRJI-LLVKDONJSA-N -1 1 356.400 0.971 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)co1 ZINC001637154891 1282568440 /nfs/dbraw/zinc/56/84/40/1282568440.db2.gz SOOWHJWQKDDKOX-IAQYHMDHSA-N -1 1 366.395 0.660 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908888 1282639969 /nfs/dbraw/zinc/63/99/69/1282639969.db2.gz AMAQBKLWQYZOOT-VHSXEESVSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908888 1282639979 /nfs/dbraw/zinc/63/99/79/1282639979.db2.gz AMAQBKLWQYZOOT-VHSXEESVSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC001637908888 1282639991 /nfs/dbraw/zinc/63/99/91/1282639991.db2.gz AMAQBKLWQYZOOT-VHSXEESVSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908890 1282640617 /nfs/dbraw/zinc/64/06/17/1282640617.db2.gz AMAQBKLWQYZOOT-ZJUUUORDSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908890 1282640630 /nfs/dbraw/zinc/64/06/30/1282640630.db2.gz AMAQBKLWQYZOOT-ZJUUUORDSA-N -1 1 356.404 0.222 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC001637908890 1282640642 /nfs/dbraw/zinc/64/06/42/1282640642.db2.gz AMAQBKLWQYZOOT-ZJUUUORDSA-N -1 1 356.404 0.222 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC001639517891 1282791196 /nfs/dbraw/zinc/79/11/96/1282791196.db2.gz MMQAPGGMNVMUHB-MXWKQRLJSA-N -1 1 360.432 0.361 10 0 FCAEMM Cn1cnc(S(=O)(=O)NCC(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001639826035 1282818057 /nfs/dbraw/zinc/81/80/57/1282818057.db2.gz RLCVNBCHHLEBCU-UHFFFAOYSA-N -1 1 362.770 0.835 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cn(CC3(C)COC3)nn2)[n-]c1=O ZINC001640132267 1282841852 /nfs/dbraw/zinc/84/18/52/1282841852.db2.gz JWWQCUBMQGDUAY-GFCCVEGCSA-N -1 1 374.401 0.796 10 0 FCAEMM C[C@@]1(C[C@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)NC(=O)NC1=O ZINC001640483782 1282865247 /nfs/dbraw/zinc/86/52/47/1282865247.db2.gz SAWMLOXSXHEBHZ-QGHHPUGFSA-N -1 1 359.386 0.652 10 0 FCAEMM COC1(OC)CCOC[C@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001640953766 1282915295 /nfs/dbraw/zinc/91/52/95/1282915295.db2.gz IHZFSQMRLAHDNM-CYBMUJFWSA-N -1 1 364.402 0.488 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001641214614 1282932155 /nfs/dbraw/zinc/93/21/55/1282932155.db2.gz SUSZENWAFGZVIC-SNVBAGLBSA-N -1 1 364.383 0.880 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001641214614 1282932164 /nfs/dbraw/zinc/93/21/64/1282932164.db2.gz SUSZENWAFGZVIC-SNVBAGLBSA-N -1 1 364.383 0.880 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001641267526 1282936141 /nfs/dbraw/zinc/93/61/41/1282936141.db2.gz LFVNXDJBGVVLAM-STQMWFEESA-N -1 1 372.404 0.745 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cn2ccc3ccccc3c2=O)n[n-]1 ZINC001641467602 1282954132 /nfs/dbraw/zinc/95/41/32/1282954132.db2.gz DTYHXDLUJLUMRZ-UHFFFAOYSA-N -1 1 355.354 0.613 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cn2ccc3ccccc3c2=O)n1 ZINC001641467602 1282954142 /nfs/dbraw/zinc/95/41/42/1282954142.db2.gz DTYHXDLUJLUMRZ-UHFFFAOYSA-N -1 1 355.354 0.613 10 0 FCAEMM Cn1cc([C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CC2(C)C)cn1 ZINC001641463485 1282954312 /nfs/dbraw/zinc/95/43/12/1282954312.db2.gz IXOKIYALSNIFKP-CYBMUJFWSA-N -1 1 357.414 0.903 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001641602198 1282964950 /nfs/dbraw/zinc/96/49/50/1282964950.db2.gz RDUYQNMPHNSMGT-WAVCKPEOSA-N -1 1 363.381 0.873 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001642851279 1283045931 /nfs/dbraw/zinc/04/59/31/1283045931.db2.gz XTBBWKXOBJBFJC-HAQNSBGRSA-N -1 1 366.418 0.346 10 0 FCAEMM CC(C)OC[C@@H](CO)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001683595082 1284052853 /nfs/dbraw/zinc/05/28/53/1284052853.db2.gz TYZAOGPXLOVRAO-LLVKDONJSA-N -1 1 354.407 0.182 10 0 FCAEMM CC(C)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@]1(O)CCOC1 ZINC001683594743 1284053014 /nfs/dbraw/zinc/05/30/14/1284053014.db2.gz PJAGYZPCIKLRQT-KRWDZBQOSA-N -1 1 366.418 0.232 10 0 FCAEMM Cn1cc(N2CCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)CC2)cn1 ZINC001683595235 1284053389 /nfs/dbraw/zinc/05/33/89/1284053389.db2.gz VXGMFZDKAMPSEX-UHFFFAOYSA-N -1 1 373.417 0.020 10 0 FCAEMM CC/C(C)=C\C(=O)N1C[C@H]2CCN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001702404642 1285641868 /nfs/dbraw/zinc/64/18/68/1285641868.db2.gz BITBTCRCNUAGHW-MWRXVAJUSA-N -1 1 370.413 0.447 10 0 FCAEMM CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H]1C ZINC001702692603 1285789214 /nfs/dbraw/zinc/78/92/14/1285789214.db2.gz GLXXJHZIJPILHF-DDTOSNHZSA-N -1 1 362.430 0.796 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCC1 ZINC001702716986 1285815328 /nfs/dbraw/zinc/81/53/28/1285815328.db2.gz AVHWCOSBZYPFJP-NEPJUHHUSA-N -1 1 360.414 0.423 10 0 FCAEMM COCCC(=O)NC[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C ZINC001702780079 1285856932 /nfs/dbraw/zinc/85/69/32/1285856932.db2.gz BACNOJXQTVKHIP-DGCLKSJQSA-N -1 1 362.430 0.920 10 0 FCAEMM O=C(CNC(=O)C1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001702902771 1285980976 /nfs/dbraw/zinc/98/09/76/1285980976.db2.gz UJKLWRHWHFIDNX-AGIUHOORSA-N -1 1 358.398 0.175 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CCCC1 ZINC001703009122 1286051074 /nfs/dbraw/zinc/05/10/74/1286051074.db2.gz HMMQJSNWVQNRKA-KFWWJZLASA-N -1 1 372.425 0.285 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1 ZINC001703008319 1286051079 /nfs/dbraw/zinc/05/10/79/1286051079.db2.gz DDMKWZGDCHEQJP-MCIONIFRSA-N -1 1 372.381 0.082 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001703848393 1286153519 /nfs/dbraw/zinc/15/35/19/1286153519.db2.gz RDDAROIYBHBKNY-IEBDPFPHSA-N -1 1 364.402 0.567 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cn4c(n3)C[C@H](OC)CC4)nc2n1 ZINC001595393035 1286247051 /nfs/dbraw/zinc/24/70/51/1286247051.db2.gz XTUQJKBYCMCQIC-LLVKDONJSA-N -1 1 371.401 0.780 10 0 FCAEMM CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CCc1nn[n-]n1 ZINC001598060176 1286378199 /nfs/dbraw/zinc/37/81/99/1286378199.db2.gz RFIDYPVEOQLUNX-UHFFFAOYSA-N -1 1 367.431 0.463 10 0 FCAEMM C[C@@H]1CCN(C(=O)CCCCC(N)=O)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001707166351 1286487919 /nfs/dbraw/zinc/48/79/19/1286487919.db2.gz WIMMQSDWVIDLLX-NEPJUHHUSA-N -1 1 352.439 0.273 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1Cc1ccon1 ZINC001707206610 1286514856 /nfs/dbraw/zinc/51/48/56/1286514856.db2.gz YZVPPMAZAAKDAI-UONOGXRCSA-N -1 1 361.402 0.084 10 0 FCAEMM CC[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736088196 1289136268 /nfs/dbraw/zinc/13/62/68/1289136268.db2.gz YEEMVFYFDFSPPJ-MELADBBJSA-N -1 1 364.446 0.374 10 0 FCAEMM CCO[C@@H]1CN(C(=O)CCCOC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001719485976 1288141724 /nfs/dbraw/zinc/14/17/24/1288141724.db2.gz PULZGROVVXEYDG-UKRRQHHQSA-N -1 1 365.430 0.807 10 0 FCAEMM CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001719551837 1288177166 /nfs/dbraw/zinc/17/71/66/1288177166.db2.gz CRQZIIHYBUGKCO-FRRDWIJNSA-N -1 1 368.409 0.171 10 0 FCAEMM CC[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001721493041 1288343665 /nfs/dbraw/zinc/34/36/65/1288343665.db2.gz BCBTVDOCTZUJJJ-VGTOOOLASA-N -1 1 358.402 0.232 10 0 FCAEMM C[C@@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001732243446 1288580227 /nfs/dbraw/zinc/58/02/27/1288580227.db2.gz CDILNORVHZTELI-IYOUNJFTSA-N -1 1 363.462 0.948 10 0 FCAEMM COCCCOCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001736260311 1289225195 /nfs/dbraw/zinc/22/51/95/1289225195.db2.gz GJNPCCISECXGDM-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CC(=O)N[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C(C)C ZINC001736540871 1289426524 /nfs/dbraw/zinc/42/65/24/1289426524.db2.gz RDTNFLZKCNGHHM-HGTKMLMNSA-N -1 1 374.441 0.810 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001700731073 1289606441 /nfs/dbraw/zinc/60/64/41/1289606441.db2.gz QEEQMKRMKLCHFT-MJBXVCDLSA-N -1 1 359.434 0.374 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCN(Cc2cc(C)on2)CC1 ZINC001610967212 1289622125 /nfs/dbraw/zinc/62/21/25/1289622125.db2.gz IQQQILGHCNQUNN-UHFFFAOYSA-N -1 1 363.374 0.541 10 0 FCAEMM Cc1cc(NC(=O)CNC(=O)CCc2nn[n-]n2)ccc1Br ZINC001611229658 1289637069 /nfs/dbraw/zinc/63/70/69/1289637069.db2.gz GTVTYVNUIMUNEK-UHFFFAOYSA-N -1 1 367.207 0.958 10 0 FCAEMM O=C(Cc1ccccc1N1CCCC1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616142977 1289768558 /nfs/dbraw/zinc/76/85/58/1289768558.db2.gz XLTVLHPSOJXPOW-CQSZACIVSA-N -1 1 356.386 0.469 10 0 FCAEMM O=C(c1ccc(Br)[nH]c1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001616948193 1289804763 /nfs/dbraw/zinc/80/47/63/1289804763.db2.gz XYNFBYHWZJZQKO-SSDOTTSWSA-N -1 1 371.220 0.993 10 0 FCAEMM CCC[C@@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1nn[n-]n1 ZINC001621660942 1290048484 /nfs/dbraw/zinc/04/84/84/1290048484.db2.gz KKMYYFNMDDPKLS-MRVPVSSYSA-N -1 1 358.811 0.923 10 0 FCAEMM O=C(NCCNS(=O)(=O)c1cccs1)c1cnc(C2CC2)[n-]c1=O ZINC001623456064 1290221085 /nfs/dbraw/zinc/22/10/85/1290221085.db2.gz QZMFRZSRICLDKU-UHFFFAOYSA-N -1 1 368.440 0.829 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001739608296 1290235454 /nfs/dbraw/zinc/23/54/54/1290235454.db2.gz FQFSTZRHSVGDLC-GDLCADMTSA-N -1 1 362.430 0.797 10 0 FCAEMM Cn1c(C(=O)Nc2ccc([O-])c(F)c2F)cc2c1n(C)c(=O)n(C)c2=O ZINC001623997344 1290245254 /nfs/dbraw/zinc/24/52/54/1290245254.db2.gz LYYFBGAUTXSSDT-UHFFFAOYSA-N -1 1 364.308 0.812 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCc2nn[n-]n2)C1 ZINC001624266982 1290263075 /nfs/dbraw/zinc/26/30/75/1290263075.db2.gz ZHTZZNLTUGTTIJ-SECBINFHSA-N -1 1 360.365 0.893 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624780897 1290295164 /nfs/dbraw/zinc/29/51/64/1290295164.db2.gz MZGWBMFDOCDESK-CMPLNLGQSA-N -1 1 371.756 0.512 10 0 FCAEMM C=CC(=O)N(C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786569 1290295731 /nfs/dbraw/zinc/29/57/31/1290295731.db2.gz ZSTFOQJNPRYVQK-CYBMUJFWSA-N -1 1 352.757 0.842 10 0 FCAEMM NS(=O)(=O)N1CCc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC001625115430 1290320463 /nfs/dbraw/zinc/32/04/63/1290320463.db2.gz JIOGUXSBZDPTLU-UHFFFAOYSA-N -1 1 361.379 0.780 10 0 FCAEMM CCO[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])[C@H]1CCOC1 ZINC001625730266 1290362238 /nfs/dbraw/zinc/36/22/38/1290362238.db2.gz OHWRSGMECXKTPD-IINYFYTJSA-N -1 1 358.416 0.680 10 0 FCAEMM C[C@@H](O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001626327518 1290388111 /nfs/dbraw/zinc/38/81/11/1290388111.db2.gz FKFCKYFFUOFTHZ-ZYHUDNBSSA-N -1 1 360.432 0.578 10 0 FCAEMM CCC(CC)(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nn[n-]n1 ZINC001626904452 1290424051 /nfs/dbraw/zinc/42/40/51/1290424051.db2.gz NNYMTQYAJMVIFP-UHFFFAOYSA-N -1 1 363.422 0.586 10 0 FCAEMM CSc1nc(CNC(=O)Cc2ccc(S(N)(=O)=O)s2)cc(=O)[n-]1 ZINC001627728181 1290481479 /nfs/dbraw/zinc/48/14/79/1290481479.db2.gz RLOJLAHXKHEBAA-UHFFFAOYSA-N -1 1 374.469 0.472 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCOc1ncccn1 ZINC001627903159 1290493067 /nfs/dbraw/zinc/49/30/67/1290493067.db2.gz PQDSWGQKIXELBH-UHFFFAOYSA-N -1 1 356.386 0.970 10 0 FCAEMM Cn1c(CNC(=O)CNC(=O)c2ncccc2[O-])nc2cc(F)ccc21 ZINC001628261291 1290522325 /nfs/dbraw/zinc/52/23/25/1290522325.db2.gz RRGDJKDUOMZDOG-UHFFFAOYSA-N -1 1 357.345 0.859 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(-c2nncnn2)cc1 ZINC001628322154 1290526104 /nfs/dbraw/zinc/52/61/04/1290526104.db2.gz HYRIERWPUDIRIO-UHFFFAOYSA-N -1 1 355.383 0.956 10 0 FCAEMM CC1CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)C1 ZINC001740302935 1290529884 /nfs/dbraw/zinc/52/98/84/1290529884.db2.gz POSZJRCDCXGHLS-IFOPZJACSA-N -1 1 374.441 0.221 10 0 FCAEMM CC/C(C)=C/C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001740302662 1290529983 /nfs/dbraw/zinc/52/99/83/1290529983.db2.gz JJXBLUJMEMNWTG-CTGROYAUSA-N -1 1 374.441 0.531 10 0 FCAEMM NC(=O)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001740347276 1290536634 /nfs/dbraw/zinc/53/66/34/1290536634.db2.gz SXDDLJWFIKJYDM-UPJWGTAASA-N -1 1 360.414 0.695 10 0 FCAEMM Cn1cc([C@@H]2C[C@H](NC(=O)CNC(=O)c3ncccc3[O-])CCO2)cn1 ZINC001628572794 1290542290 /nfs/dbraw/zinc/54/22/90/1290542290.db2.gz MCACVOKHAVINIC-OCCSQVGLSA-N -1 1 359.386 0.287 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cn2nc(C)c3cccnc32)n[n-]1 ZINC001629030437 1290572127 /nfs/dbraw/zinc/57/21/27/1290572127.db2.gz YWZIBFRRNFJNLN-SNVBAGLBSA-N -1 1 357.374 0.912 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cn2nc(C)c3cccnc32)[n-]1 ZINC001629030437 1290572133 /nfs/dbraw/zinc/57/21/33/1290572133.db2.gz YWZIBFRRNFJNLN-SNVBAGLBSA-N -1 1 357.374 0.912 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cn2nc(C)c3cccnc32)n1 ZINC001629030437 1290572137 /nfs/dbraw/zinc/57/21/37/1290572137.db2.gz YWZIBFRRNFJNLN-SNVBAGLBSA-N -1 1 357.374 0.912 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NN1C(=O)[C@H](C)N(C)C1=O ZINC001629880191 1290631537 /nfs/dbraw/zinc/63/15/37/1290631537.db2.gz CHVDCHHIEONRED-JTQLQIEISA-N -1 1 370.369 0.409 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001630185615 1290650756 /nfs/dbraw/zinc/65/07/56/1290650756.db2.gz DVVFRWQUIJRVLP-NSHDSACASA-N -1 1 364.402 0.643 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC001643192947 1290858538 /nfs/dbraw/zinc/85/85/38/1290858538.db2.gz WEEVZCYAAPDOLC-ZETCQYMHSA-N -1 1 355.152 0.277 10 0 FCAEMM O=C(CCc1nc2cccnc2[nH]1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643241723 1290865565 /nfs/dbraw/zinc/86/55/65/1290865565.db2.gz OETKDMRRMQKVRG-UHFFFAOYSA-N -1 1 354.370 0.775 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001643386388 1290879729 /nfs/dbraw/zinc/87/97/29/1290879729.db2.gz AEZYRYBBYXDGSE-FWWRYZNZSA-N -1 1 356.386 0.397 10 0 FCAEMM O=C(c1cc(Br)cn2ncnc12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643391287 1290883789 /nfs/dbraw/zinc/88/37/89/1290883789.db2.gz VFDWPCFCYFXUTQ-SSDOTTSWSA-N -1 1 363.179 0.635 10 0 FCAEMM COc1cccc(C(=O)NCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001644156169 1290944295 /nfs/dbraw/zinc/94/42/95/1290944295.db2.gz FVOLIHSXJXENSS-UHFFFAOYSA-N -1 1 372.381 0.310 10 0 FCAEMM O=C(Cc1cnn(-c2ccccc2)n1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644157451 1290944511 /nfs/dbraw/zinc/94/45/11/1290944511.db2.gz WYHCQUFECUJDDP-UHFFFAOYSA-N -1 1 366.381 0.695 10 0 FCAEMM CC(C)n1ncc2cc(C=CC(=O)N3CC[C@H](c4nn[n-]n4)C3)c(=O)[nH]c21 ZINC001644299987 1290952958 /nfs/dbraw/zinc/95/29/58/1290952958.db2.gz UQKDOAIRUBBOQP-MVZIDQBPSA-N -1 1 368.401 0.848 10 0 FCAEMM COCCS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001644748790 1290981383 /nfs/dbraw/zinc/98/13/83/1290981383.db2.gz YQDNYOKSBHLUGW-UHFFFAOYSA-N -1 1 365.415 0.429 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)o1 ZINC001647998100 1291092512 /nfs/dbraw/zinc/09/25/12/1291092512.db2.gz IUNMWSCIKKCVGJ-UHFFFAOYSA-N -1 1 371.415 0.635 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN([S@](C)(=N)=O)CC2)cc1 ZINC001648250120 1291115114 /nfs/dbraw/zinc/11/51/14/1291115114.db2.gz GSAMSSMWVOIBCE-DEOSSOPVSA-N -1 1 354.432 0.161 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)n[n-]1 ZINC001648716773 1291138001 /nfs/dbraw/zinc/13/80/01/1291138001.db2.gz FLYSKJJOTGHHKF-QWRGUYRKSA-N -1 1 368.390 0.298 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)n1 ZINC001648716773 1291138005 /nfs/dbraw/zinc/13/80/05/1291138005.db2.gz FLYSKJJOTGHHKF-QWRGUYRKSA-N -1 1 368.390 0.298 10 0 FCAEMM Cc1cc(C)n2ncc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)c2n1 ZINC001650746405 1291177913 /nfs/dbraw/zinc/17/79/13/1291177913.db2.gz WUKZFDZDBYDRBJ-UHFFFAOYSA-N -1 1 354.370 0.844 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650858751 1291180886 /nfs/dbraw/zinc/18/08/86/1291180886.db2.gz SEFRXVFHWAPJJJ-GFAPJHNFSA-N -1 1 351.374 0.509 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001651218422 1291208295 /nfs/dbraw/zinc/20/82/95/1291208295.db2.gz KRLDCGZLUIZQIY-ZDUSSCGKSA-N -1 1 372.404 0.925 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001651252245 1291212622 /nfs/dbraw/zinc/21/26/22/1291212622.db2.gz VHDRTMBTUMLFAP-UHFFFAOYSA-N -1 1 373.417 0.395 10 0 FCAEMM Cn1c2ncn(CCC(=O)[N-]Oc3ccccc3F)c2c(=O)n(C)c1=O ZINC001651411210 1291221880 /nfs/dbraw/zinc/22/18/80/1291221880.db2.gz XVEIEHGCUFOYBT-UHFFFAOYSA-N -1 1 361.333 0.073 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001653189534 1291326550 /nfs/dbraw/zinc/32/65/50/1291326550.db2.gz JAHFSZKZQDXYSY-IYBDPMFKSA-N -1 1 353.444 0.767 10 0 FCAEMM CCOC(=O)[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCOC1 ZINC001653254437 1291331702 /nfs/dbraw/zinc/33/17/02/1291331702.db2.gz PHDWIDVRDFGWHH-ABAIWWIYSA-N -1 1 351.403 0.703 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)n[n-]1 ZINC001654490519 1291414709 /nfs/dbraw/zinc/41/47/09/1291414709.db2.gz WLWCVMMRRFMNJR-NEPJUHHUSA-N -1 1 363.418 0.779 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)n1 ZINC001654490519 1291414711 /nfs/dbraw/zinc/41/47/11/1291414711.db2.gz WLWCVMMRRFMNJR-NEPJUHHUSA-N -1 1 363.418 0.779 10 0 FCAEMM C[C@@H](CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)c1cnn(C)c1 ZINC001656979200 1291586570 /nfs/dbraw/zinc/58/65/70/1291586570.db2.gz DQMVJIBIPZSODP-SCRDCRAPSA-N -1 1 361.450 0.115 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@@H](n2ccnn2)C1 ZINC001684870089 1292347561 /nfs/dbraw/zinc/34/75/61/1292347561.db2.gz VUDJRXGLHIRCSW-LLVKDONJSA-N -1 1 359.390 0.393 10 0 FCAEMM CCCC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001684959949 1292384340 /nfs/dbraw/zinc/38/43/40/1292384340.db2.gz GMTBIHDIMDVBON-QWHCGFSZSA-N -1 1 350.419 0.223 10 0 FCAEMM NC(=O)COC1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001685378994 1292520536 /nfs/dbraw/zinc/52/05/36/1292520536.db2.gz JVZUHLSIMPVTNY-UHFFFAOYSA-N -1 1 357.357 0.889 10 0 FCAEMM CC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001685964089 1292709412 /nfs/dbraw/zinc/70/94/12/1292709412.db2.gz QNSWCGPBUNPHDK-CRWXNKLISA-N -1 1 362.430 0.221 10 0 FCAEMM O=C(CNC(=O)C1CCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001686146987 1292787714 /nfs/dbraw/zinc/78/77/14/1292787714.db2.gz NNBTTZZRFCTZIW-MCIONIFRSA-N -1 1 372.425 0.565 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC1CC1 ZINC001686210293 1292828227 /nfs/dbraw/zinc/82/82/27/1292828227.db2.gz BNGNIVOADFOJSQ-KFWWJZLASA-N -1 1 374.441 0.365 10 0 FCAEMM COC(=O)C[C@@H](CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC001687049604 1292980114 /nfs/dbraw/zinc/98/01/14/1292980114.db2.gz JRYWJYKXZRAUNA-NSHDSACASA-N -1 1 364.402 0.643 10 0 FCAEMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000749279045 836353884 /nfs/dbraw/zinc/35/38/84/836353884.db2.gz NFZRYQHRCVZHBW-NSHDSACASA-N -1 1 356.325 0.954 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC001116663777 846729781 /nfs/dbraw/zinc/72/97/81/846729781.db2.gz RTTXPNCLMUMPAV-JSGCOSHPSA-N -1 1 372.447 0.062 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)[n-]c1Cl ZINC001133885582 849160794 /nfs/dbraw/zinc/16/07/94/849160794.db2.gz PHDQRWCKGQTBLE-LLVKDONJSA-N -1 1 353.759 0.705 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)[n-]c1Cl ZINC001133885583 849161018 /nfs/dbraw/zinc/16/10/18/849161018.db2.gz PHDQRWCKGQTBLE-NSHDSACASA-N -1 1 353.759 0.705 10 0 FCAEMM COc1ccc(Cl)cc1NC(=O)CCNC(=O)CCc1nn[n-]n1 ZINC001137225177 849259301 /nfs/dbraw/zinc/25/93/01/849259301.db2.gz IIOORKLQSBGKSY-UHFFFAOYSA-N -1 1 352.782 0.939 10 0 FCAEMM CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)CCc3nn[n-]n3)CCO2)cc1 ZINC001148751477 849617497 /nfs/dbraw/zinc/61/74/97/849617497.db2.gz RXAYJDDROYYCQZ-ZDUSSCGKSA-N -1 1 365.415 0.136 10 0 FCAEMM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001163585511 850375268 /nfs/dbraw/zinc/37/52/68/850375268.db2.gz LKJHXSPOUUHTLT-MFKMUULPSA-N -1 1 353.350 0.267 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC001166125658 850461689 /nfs/dbraw/zinc/46/16/89/850461689.db2.gz CENIBGITWQOHMY-UWVGGRQHSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)[n-]1 ZINC001166125658 850461700 /nfs/dbraw/zinc/46/17/00/850461700.db2.gz CENIBGITWQOHMY-UWVGGRQHSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](C)NC(=O)C2CCCC2)n1 ZINC001166125658 850461708 /nfs/dbraw/zinc/46/17/08/850461708.db2.gz CENIBGITWQOHMY-UWVGGRQHSA-N -1 1 351.407 0.854 10 0 FCAEMM O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001175552703 850767690 /nfs/dbraw/zinc/76/76/90/850767690.db2.gz JYEAJAWPEKUHPL-MRVPVSSYSA-N -1 1 362.444 0.825 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)o1 ZINC001177866947 850874771 /nfs/dbraw/zinc/87/47/71/850874771.db2.gz UKQJPVGUEYGKCJ-JTQLQIEISA-N -1 1 368.419 0.138 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nc(CN(C)C)cs2)o1 ZINC001178084121 850884455 /nfs/dbraw/zinc/88/44/55/850884455.db2.gz YHEOSZIPHBYUSC-UHFFFAOYSA-N -1 1 358.445 0.636 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178781343 850930597 /nfs/dbraw/zinc/93/05/97/850930597.db2.gz ZWOZJUZONGBSRZ-UHFFFAOYSA-N -1 1 359.354 0.629 10 0 FCAEMM O=S(=O)([N-]CCOCCCO)c1ccc(Br)nc1F ZINC001329224582 871900311 /nfs/dbraw/zinc/90/03/11/871900311.db2.gz DXIFCZBFPRFHKU-UHFFFAOYSA-N -1 1 357.201 0.661 10 0 FCAEMM COC(=O)[C@@]1(C)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001235547597 857427249 /nfs/dbraw/zinc/42/72/49/857427249.db2.gz WMEYRWOHYAXWEH-INIZCTEOSA-N -1 1 350.375 0.350 10 0 FCAEMM O=C([N-]CC1CN(C(=O)NCc2cnc3n2CCOC3)C1)C(F)(F)F ZINC001251509583 857728673 /nfs/dbraw/zinc/72/86/73/857728673.db2.gz PCOKJSXLWHHBNL-UHFFFAOYSA-N -1 1 361.324 0.233 10 0 FCAEMM CON1CCC(N(C)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001254496590 857975066 /nfs/dbraw/zinc/97/50/66/857975066.db2.gz FIMWRRRMMCGKEH-UHFFFAOYSA-N -1 1 351.407 0.422 10 0 FCAEMM O=C(N[C@H](C(=O)[O-])[C@@H]1CCCOC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001262210193 858819966 /nfs/dbraw/zinc/81/99/66/858819966.db2.gz OUKQPPKJCKLASI-SYQHCUMBSA-N -1 1 357.476 0.745 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001263911360 859236997 /nfs/dbraw/zinc/23/69/97/859236997.db2.gz GWIPEMCQZKCEGL-VXGBXAGGSA-N -1 1 352.464 0.682 10 0 FCAEMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001275189469 860984843 /nfs/dbraw/zinc/98/48/43/860984843.db2.gz KSKURQSQHRCNNK-LPEHRKFASA-N -1 1 365.356 0.995 10 0 FCAEMM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001282325134 864187245 /nfs/dbraw/zinc/18/72/45/864187245.db2.gz TUVXHBOJFQGFLX-XQQFMLRXSA-N -1 1 350.419 0.078 10 0 FCAEMM CCS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282488828 864297637 /nfs/dbraw/zinc/29/76/37/864297637.db2.gz VZPITBIPQHYORX-VXGBXAGGSA-N -1 1 369.443 0.046 10 0 FCAEMM CS(=O)(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001282722621 864417660 /nfs/dbraw/zinc/41/76/60/864417660.db2.gz ULEBQYJZQRDLIQ-UTUOFQBUSA-N -1 1 367.427 0.084 10 0 FCAEMM CN1C[C@@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1=O ZINC001288923916 864815230 /nfs/dbraw/zinc/81/52/30/864815230.db2.gz LVDDGHAXEUAMIN-NSHDSACASA-N -1 1 371.459 0.955 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[n-]c1Cl ZINC001289091118 864912720 /nfs/dbraw/zinc/91/27/20/864912720.db2.gz JVDGVUPSUXRZKW-SFYZADRCSA-N -1 1 358.782 0.991 10 0 FCAEMM COc1ccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1[N-]S(C)(=O)=O ZINC001290637383 865471130 /nfs/dbraw/zinc/47/11/30/865471130.db2.gz PXCKMANJJMTKFD-ZJUUUORDSA-N -1 1 355.416 0.907 10 0 FCAEMM CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CCc1nn[n-]n1 ZINC001292771682 865750672 /nfs/dbraw/zinc/75/06/72/865750672.db2.gz HJDLAXVEFSALFZ-UHFFFAOYSA-N -1 1 368.195 0.387 10 0 FCAEMM COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1nn[n-]n1 ZINC001295036197 865869693 /nfs/dbraw/zinc/86/96/93/865869693.db2.gz NFXIHMCVTBPVFD-UHFFFAOYSA-N -1 1 368.419 0.233 10 0 FCAEMM CNC(=O)COc1cccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1 ZINC001297536460 866039139 /nfs/dbraw/zinc/03/91/39/866039139.db2.gz VFWMNSKJRLOVOG-UHFFFAOYSA-N -1 1 362.411 0.834 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)co1 ZINC001297808749 866062120 /nfs/dbraw/zinc/06/21/20/866062120.db2.gz VRDYYACXZOABQL-ZDUSSCGKSA-N -1 1 365.367 0.665 10 0 FCAEMM Cn1nc(Br)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001298318045 866107806 /nfs/dbraw/zinc/10/78/06/866107806.db2.gz JARWHSZGAOUBAS-UHFFFAOYSA-N -1 1 354.164 0.652 10 0 FCAEMM O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001302137899 866311252 /nfs/dbraw/zinc/31/12/52/866311252.db2.gz SZVWUMNDDQRZOI-GFCCVEGCSA-N -1 1 357.399 0.888 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3cncn3)c2)o1 ZINC001302389821 866328069 /nfs/dbraw/zinc/32/80/69/866328069.db2.gz CZYXOJYKKTXBKO-UHFFFAOYSA-N -1 1 362.371 0.093 10 0 FCAEMM Cc1ncncc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001350420458 866592210 /nfs/dbraw/zinc/59/22/10/866592210.db2.gz ATCUIHZXSSLPQQ-UWVGGRQHSA-N -1 1 360.292 0.521 10 0 FCAEMM CC(=O)N1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CC1 ZINC001351333727 866835818 /nfs/dbraw/zinc/83/58/18/866835818.db2.gz IUACZVFKFVFOFZ-UHFFFAOYSA-N -1 1 350.814 0.795 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC2(C(F)(F)F)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001316788215 867484762 /nfs/dbraw/zinc/48/47/62/867484762.db2.gz WGSJFJYJPFJUFF-ZJUUUORDSA-N -1 1 361.368 0.920 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC001354027417 867536798 /nfs/dbraw/zinc/53/67/98/867536798.db2.gz KWQSCEMLHNYUDX-GFCCVEGCSA-N -1 1 362.421 0.621 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC1CS(=O)(=O)C1 ZINC001320960689 868330230 /nfs/dbraw/zinc/33/02/30/868330230.db2.gz DJENDXWQCMPOGS-UHFFFAOYSA-N -1 1 366.443 0.535 10 0 FCAEMM CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001321024609 868346895 /nfs/dbraw/zinc/34/68/95/868346895.db2.gz MNJFYGANQASMEA-SECBINFHSA-N -1 1 366.465 0.388 10 0 FCAEMM CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001321024609 868346910 /nfs/dbraw/zinc/34/69/10/868346910.db2.gz MNJFYGANQASMEA-SECBINFHSA-N -1 1 366.465 0.388 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2CCC(NC(=O)C3CC3)CC2)n1 ZINC001321105550 868369174 /nfs/dbraw/zinc/36/91/74/868369174.db2.gz HBJIIQZMAPOYDB-UHFFFAOYSA-N -1 1 355.420 0.232 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)[n-]1 ZINC001321105550 868369187 /nfs/dbraw/zinc/36/91/87/868369187.db2.gz HBJIIQZMAPOYDB-UHFFFAOYSA-N -1 1 355.420 0.232 10 0 FCAEMM COc1ccc(NC(=O)NCCOCCCO)cc1[N-]S(C)(=O)=O ZINC001323035879 869033706 /nfs/dbraw/zinc/03/37/06/869033706.db2.gz VIZBKVTYJCXSNZ-UHFFFAOYSA-N -1 1 361.420 0.587 10 0 FCAEMM O=C(c1cnc(-c2ccncc2)s1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001323322488 869147033 /nfs/dbraw/zinc/14/70/33/869147033.db2.gz NIPVUACZWSLZKY-UHFFFAOYSA-N -1 1 357.399 0.842 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1F ZINC001326766360 870488589 /nfs/dbraw/zinc/48/85/89/870488589.db2.gz UMJDKSOLQCRSPI-UHFFFAOYSA-N -1 1 373.406 0.565 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1ccn(-c2ccncc2)n1 ZINC001327558852 870942385 /nfs/dbraw/zinc/94/23/85/870942385.db2.gz AEXIGWGZZXXRPB-UHFFFAOYSA-N -1 1 366.399 0.526 10 0 FCAEMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350884 871379575 /nfs/dbraw/zinc/37/95/75/871379575.db2.gz OVGPMOJEBINCNY-WFASDCNBSA-N -1 1 351.447 0.689 10 0 FCAEMM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350882 871380628 /nfs/dbraw/zinc/38/06/28/871380628.db2.gz OVGPMOJEBINCNY-SWLSCSKDSA-N -1 1 351.447 0.689 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC001328829553 871653127 /nfs/dbraw/zinc/65/31/27/871653127.db2.gz YILMYZMOKHSVGF-UHFFFAOYSA-N -1 1 353.169 0.967 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)CCOC1 ZINC001329209532 871887809 /nfs/dbraw/zinc/88/78/09/871887809.db2.gz ZTEILGYYQVUPRM-DOTOQJQBSA-N -1 1 356.369 0.860 10 0 FCAEMM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001329208894 871888341 /nfs/dbraw/zinc/88/83/41/871888341.db2.gz VVVHLPXMRLZFRB-UHFFFAOYSA-N -1 1 370.353 0.220 10 0 FCAEMM CCc1nnc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])o1 ZINC001347145996 872183172 /nfs/dbraw/zinc/18/31/72/872183172.db2.gz UBODVCNZCHCARS-XCBNKYQSSA-N -1 1 350.297 0.728 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)N1CCO[C@H](CC)C1 ZINC001348165366 872614304 /nfs/dbraw/zinc/61/43/04/872614304.db2.gz KYOWXWDFHIQMJU-RRFJBIMHSA-N -1 1 350.467 0.870 10 0 FCAEMM CCOC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001331009528 872912056 /nfs/dbraw/zinc/91/20/56/872912056.db2.gz JMAOKCHGMLQXEP-VWYCJHECSA-N -1 1 367.368 0.443 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c(Br)n1 ZINC001331933777 873308526 /nfs/dbraw/zinc/30/85/26/873308526.db2.gz CQBDREHYOONCOB-YFKPBYRVSA-N -1 1 366.159 0.774 10 0 FCAEMM O=C(N[C@H](C(=O)[O-])C1CCOCC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001332932905 873721740 /nfs/dbraw/zinc/72/17/40/873721740.db2.gz NYXXWNYGXHMZPF-MCIONIFRSA-N -1 1 357.476 0.745 10 0 FCAEMM CC1(C)OC[C@@H](CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)O1 ZINC001332996423 873753302 /nfs/dbraw/zinc/75/33/02/873753302.db2.gz FJOAHTQPWJBLMO-SNVBAGLBSA-N -1 1 358.341 0.597 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H](O)c2cnn(C)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292421457 214099238 /nfs/dbraw/zinc/09/92/38/214099238.db2.gz WMWXOQFJAJCWER-FSZOTQKASA-N -1 1 362.352 0.758 10 0 FCAEMM CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293772757 214199320 /nfs/dbraw/zinc/19/93/20/214199320.db2.gz AMGBOUHGYSIVGJ-LBPRGKRZSA-N -1 1 373.413 0.585 10 0 FCAEMM CCOCc1nc([C@H](C)NC(=O)c2coc(S(=O)(=O)[N-]C)c2)no1 ZINC000290971569 214006122 /nfs/dbraw/zinc/00/61/22/214006122.db2.gz TVHRKFAINDDYAQ-QMMMGPOBSA-N -1 1 358.376 0.598 10 0 FCAEMM C[S@@](=O)C1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCC1 ZINC000930760509 674058392 /nfs/dbraw/zinc/05/83/92/674058392.db2.gz WUZXKLRTGSJXSM-RUZDIDTESA-N -1 1 374.409 0.747 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(=O)n(C)c1=O ZINC000246314504 209382682 /nfs/dbraw/zinc/38/26/82/209382682.db2.gz RKSSCZRQBKAQMV-NWANDNLSSA-N -1 1 361.423 0.091 10 0 FCAEMM CNS(=O)(=O)c1cc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)co1 ZINC000368814862 216299418 /nfs/dbraw/zinc/29/94/18/216299418.db2.gz XCRGWYQNFMLTKF-ZDUSSCGKSA-N -1 1 361.383 0.825 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)co1 ZINC000369379226 216392644 /nfs/dbraw/zinc/39/26/44/216392644.db2.gz KEOPJABRMNGJQM-UHFFFAOYSA-N -1 1 354.359 0.670 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000276754407 212286073 /nfs/dbraw/zinc/28/60/73/212286073.db2.gz BBVGZECTZAPNOS-XHDPSFHLSA-N -1 1 373.344 0.672 10 0 FCAEMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000276146267 212172565 /nfs/dbraw/zinc/17/25/65/212172565.db2.gz CFZYRRUYUHZOLD-SCZZXKLOSA-N -1 1 357.457 0.844 10 0 FCAEMM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)[nH]c1-c1ccccc1 ZINC000275320275 212007614 /nfs/dbraw/zinc/00/76/14/212007614.db2.gz XNHKZYRJMOTEGO-VXGBXAGGSA-N -1 1 356.425 0.317 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)C(=O)[O-] ZINC000424497198 247241875 /nfs/dbraw/zinc/24/18/75/247241875.db2.gz UTVQEUBLBZSKLB-CQSZACIVSA-N -1 1 353.463 0.936 10 0 FCAEMM O=C(N[C@@H](CO)CN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000436554886 248043667 /nfs/dbraw/zinc/04/36/67/248043667.db2.gz KHNROFPRMUOLTN-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM O=C(N[C@H](CO)CN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000436554887 248044808 /nfs/dbraw/zinc/04/48/08/248044808.db2.gz KHNROFPRMUOLTN-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM O=C(C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccc([O-])cc1 ZINC000436642791 248045777 /nfs/dbraw/zinc/04/57/77/248045777.db2.gz VBCQVQWUTRTSMY-UHFFFAOYSA-N -1 1 352.412 0.601 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000436043764 248029670 /nfs/dbraw/zinc/02/96/70/248029670.db2.gz SLSSRUIGBXKBHD-NWDGAFQWSA-N -1 1 363.395 0.329 10 0 FCAEMM COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436993154 248057566 /nfs/dbraw/zinc/05/75/66/248057566.db2.gz YXEVVISRKXGPNO-LBPRGKRZSA-N -1 1 372.443 0.788 10 0 FCAEMM NC(=O)COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000440720375 248209590 /nfs/dbraw/zinc/20/95/90/248209590.db2.gz VCNJIGJKTFLHJJ-UHFFFAOYSA-N -1 1 352.350 0.717 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000452393725 249316989 /nfs/dbraw/zinc/31/69/89/249316989.db2.gz TVOMQRGGTYWKEQ-ZDUSSCGKSA-N -1 1 355.460 0.635 10 0 FCAEMM COC[C@@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472643467 250169852 /nfs/dbraw/zinc/16/98/52/250169852.db2.gz ZYXNCDPPZAUAMK-YGRLFVJLSA-N -1 1 361.416 0.872 10 0 FCAEMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000473140923 250203781 /nfs/dbraw/zinc/20/37/81/250203781.db2.gz DHUYQXNAQBTNFH-MWLCHTKSSA-N -1 1 366.399 0.968 10 0 FCAEMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000473140923 250203785 /nfs/dbraw/zinc/20/37/85/250203785.db2.gz DHUYQXNAQBTNFH-MWLCHTKSSA-N -1 1 366.399 0.968 10 0 FCAEMM CCCCOc1ccc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000473381676 250224645 /nfs/dbraw/zinc/22/46/45/250224645.db2.gz GJCYNGAEWQPAFS-UHFFFAOYSA-N -1 1 358.402 0.914 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000104941525 208190901 /nfs/dbraw/zinc/19/09/01/208190901.db2.gz AWMMJNMVXCMRHL-UHFFFAOYSA-N -1 1 371.441 0.795 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000409790242 533403967 /nfs/dbraw/zinc/40/39/67/533403967.db2.gz ICGHBBNFBJSGBD-CABZTGNLSA-N -1 1 368.427 0.961 10 0 FCAEMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000410027120 230054898 /nfs/dbraw/zinc/05/48/98/230054898.db2.gz CCOSWXKJHGELKN-STQMWFEESA-N -1 1 372.425 0.926 10 0 FCAEMM COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323946904 488904138 /nfs/dbraw/zinc/90/41/38/488904138.db2.gz MHMPHDPPIQNHJY-NSHDSACASA-N -1 1 355.372 0.401 10 0 FCAEMM COc1cc(C)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000327288599 488918864 /nfs/dbraw/zinc/91/88/64/488918864.db2.gz LWEFIHLAEKZTLM-LLVKDONJSA-N -1 1 369.399 0.710 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279618322 488957161 /nfs/dbraw/zinc/95/71/61/488957161.db2.gz XDKUFXMBOVXCNN-AWEZNQCLSA-N -1 1 368.187 0.969 10 0 FCAEMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1n[n-]c(=S)n1C ZINC000066625429 488333667 /nfs/dbraw/zinc/33/36/67/488333667.db2.gz FWUDLXWLEGKNRF-QMMMGPOBSA-N -1 1 373.435 0.600 10 0 FCAEMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000104051558 488503525 /nfs/dbraw/zinc/50/35/25/488503525.db2.gz CRNGSBJDIDGFPU-UHFFFAOYSA-N -1 1 357.418 0.579 10 0 FCAEMM C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000121338840 488566678 /nfs/dbraw/zinc/56/66/78/488566678.db2.gz FCVYWOHDYCDNHG-MFKMUULPSA-N -1 1 363.805 0.474 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000599456589 492175420 /nfs/dbraw/zinc/17/54/20/492175420.db2.gz NQDRYVLMBREAHR-VXGBXAGGSA-N -1 1 365.448 0.463 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1nn[n-]n1 ZINC000124632297 488594714 /nfs/dbraw/zinc/59/47/14/488594714.db2.gz ZSFUQCOZCYYGFM-ZFWWWQNUSA-N -1 1 356.430 0.853 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000273315561 488643415 /nfs/dbraw/zinc/64/34/15/488643415.db2.gz PTALTSNVRBANPH-JSGCOSHPSA-N -1 1 370.402 0.409 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000273586315 488660626 /nfs/dbraw/zinc/66/06/26/488660626.db2.gz KWZCLWIMJLRDKE-XUIVZRPNSA-N -1 1 364.217 0.873 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000274898374 488741943 /nfs/dbraw/zinc/74/19/43/488741943.db2.gz HMQVBKVCNVULFW-CYBMUJFWSA-N -1 1 351.384 0.709 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1C ZINC000275233992 488775449 /nfs/dbraw/zinc/77/54/49/488775449.db2.gz FUYCDGXCBFJYHB-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cnc([O-])n(C)c2=O)C[C@H](C)O1 ZINC000267697838 488813185 /nfs/dbraw/zinc/81/31/85/488813185.db2.gz PRJQBCQHCJRXRU-XQQFMLRXSA-N -1 1 350.419 0.200 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173963542 488846500 /nfs/dbraw/zinc/84/65/00/488846500.db2.gz YDERCKIRTDDOEG-BLLLJJGKSA-N -1 1 373.457 0.361 10 0 FCAEMM CN1C(=O)CC[C@H](C(=O)NCCCc2nc(=O)[n-][nH]2)[C@H]1c1ccccc1 ZINC000176255794 488858100 /nfs/dbraw/zinc/85/81/00/488858100.db2.gz XRQKYKLFONNWTO-XJKSGUPXSA-N -1 1 357.414 0.757 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCN(c3cnn(C)c3)C1=O)c2=O ZINC000365322011 489063458 /nfs/dbraw/zinc/06/34/58/489063458.db2.gz UEQCUWUONHDHER-CQSZACIVSA-N -1 1 366.381 0.913 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)cnc2n1 ZINC000365322011 489063460 /nfs/dbraw/zinc/06/34/60/489063460.db2.gz UEQCUWUONHDHER-CQSZACIVSA-N -1 1 366.381 0.913 10 0 FCAEMM Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c1 ZINC000289543627 489075870 /nfs/dbraw/zinc/07/58/70/489075870.db2.gz WVWOLWWCNLXBLX-AWEZNQCLSA-N -1 1 359.430 0.781 10 0 FCAEMM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289819468 489095506 /nfs/dbraw/zinc/09/55/06/489095506.db2.gz ZXMZLSWMBOHDMW-LLVKDONJSA-N -1 1 364.427 0.830 10 0 FCAEMM Cc1nc(S(=O)(=O)NCCc2nc(=O)o[n-]2)sc1Br ZINC000290153832 489118051 /nfs/dbraw/zinc/11/80/51/489118051.db2.gz NUSJHGZLFFHDRZ-UHFFFAOYSA-N -1 1 369.222 0.411 10 0 FCAEMM O=C(CNC(=O)c1ccccn1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290340681 489132689 /nfs/dbraw/zinc/13/26/89/489132689.db2.gz KGEZTPNJEGFLDE-NSHDSACASA-N -1 1 372.347 0.729 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282495742 489169391 /nfs/dbraw/zinc/16/93/91/489169391.db2.gz WRIIXVZGZHDWMA-NSHDSACASA-N -1 1 355.398 0.784 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])CCC1 ZINC000555221556 491242011 /nfs/dbraw/zinc/24/20/11/491242011.db2.gz CWFNMDYWFLDIBU-GFCCVEGCSA-N -1 1 362.448 0.188 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)o1 ZINC000370025760 489305291 /nfs/dbraw/zinc/30/52/91/489305291.db2.gz KGWIECJETYXZTB-MXWKQRLJSA-N -1 1 356.400 0.744 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)o1 ZINC000370025759 489305690 /nfs/dbraw/zinc/30/56/90/489305690.db2.gz KGWIECJETYXZTB-HBNTYKKESA-N -1 1 356.400 0.744 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000286467857 489393657 /nfs/dbraw/zinc/39/36/57/489393657.db2.gz UHGVSUWIYQFCFN-GOSISDBHSA-N -1 1 360.414 0.590 10 0 FCAEMM CC(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299232786 489421715 /nfs/dbraw/zinc/42/17/15/489421715.db2.gz RTRWTVGEQRDHGU-UHFFFAOYSA-N -1 1 356.400 0.721 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(Br)n1C ZINC000286784121 489428831 /nfs/dbraw/zinc/42/88/31/489428831.db2.gz GJHKSCRNJUAWNK-QMMMGPOBSA-N -1 1 365.253 0.390 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000363373415 489459408 /nfs/dbraw/zinc/45/94/08/489459408.db2.gz OYSUXPIKVKEMFS-CYBMUJFWSA-N -1 1 370.409 0.634 10 0 FCAEMM O=C(Nc1nnn[n-]1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000371422407 489483928 /nfs/dbraw/zinc/48/39/28/489483928.db2.gz HOJRQEFUWWREAA-UHFFFAOYSA-N -1 1 370.822 0.893 10 0 FCAEMM O=C(Nc1nn[n-]n1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000371422407 489483930 /nfs/dbraw/zinc/48/39/30/489483930.db2.gz HOJRQEFUWWREAA-UHFFFAOYSA-N -1 1 370.822 0.893 10 0 FCAEMM COCC[C@@H](COC)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000427604411 489615543 /nfs/dbraw/zinc/61/55/43/489615543.db2.gz YOXASKHNUSNYIM-AWEZNQCLSA-N -1 1 360.414 0.851 10 0 FCAEMM CCOc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc(Cl)c1[O-] ZINC000458036816 489666938 /nfs/dbraw/zinc/66/69/38/489666938.db2.gz ARRIEBISSSEEAH-UHFFFAOYSA-N -1 1 355.778 0.214 10 0 FCAEMM COc1ccc(C(=O)CNC(=O)CCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000430312579 489730431 /nfs/dbraw/zinc/73/04/31/489730431.db2.gz CIZVOGOLRUQBKS-UHFFFAOYSA-N -1 1 372.385 0.093 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000430322236 489730756 /nfs/dbraw/zinc/73/07/56/489730756.db2.gz QJCKZFMJXPMFOQ-UHFFFAOYSA-N -1 1 357.399 0.645 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC)co2)c1 ZINC000461454584 489911640 /nfs/dbraw/zinc/91/16/40/489911640.db2.gz UGDNGYNILUOVEC-UHFFFAOYSA-N -1 1 354.340 0.932 10 0 FCAEMM COCCc1nnc(-c2cccc(C(=O)NC3(c4nn[n-]n4)CC3)c2)o1 ZINC000477036001 489934322 /nfs/dbraw/zinc/93/43/22/489934322.db2.gz LZELKSUCYYQDCW-UHFFFAOYSA-N -1 1 355.358 0.858 10 0 FCAEMM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477037319 489934598 /nfs/dbraw/zinc/93/45/98/489934598.db2.gz VUPKPTRVTNWBKW-ZDUSSCGKSA-N -1 1 374.470 0.786 10 0 FCAEMM CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477047144 489935022 /nfs/dbraw/zinc/93/50/22/489935022.db2.gz XAWWFPHBSAGZJI-VIFPVBQESA-N -1 1 350.404 0.450 10 0 FCAEMM O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NC1(c2nn[n-]n2)CC1 ZINC000477045774 489935192 /nfs/dbraw/zinc/93/51/92/489935192.db2.gz FNVFHJTTXZCAON-UHFFFAOYSA-N -1 1 369.429 0.434 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000477269905 489954960 /nfs/dbraw/zinc/95/49/60/489954960.db2.gz BCSVQCLTNFRIQH-LLVKDONJSA-N -1 1 358.354 0.600 10 0 FCAEMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000477401999 489962667 /nfs/dbraw/zinc/96/26/67/489962667.db2.gz TXKWKHHHQZVDNG-UHFFFAOYSA-N -1 1 366.420 0.916 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3cnn(C)c3)C2)o1 ZINC000377851245 489967947 /nfs/dbraw/zinc/96/79/47/489967947.db2.gz SEXCEIXEMNZWFB-NSHDSACASA-N -1 1 368.415 0.747 10 0 FCAEMM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000462396780 489973106 /nfs/dbraw/zinc/97/31/06/489973106.db2.gz XWLQDFQRYYMRDK-SECBINFHSA-N -1 1 371.390 0.271 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)CCCC1 ZINC000571206018 491292464 /nfs/dbraw/zinc/29/24/64/491292464.db2.gz HXGCNKVTOUNGSL-CQSZACIVSA-N -1 1 365.473 0.688 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2CCN(CC(=O)N(C)C)CC2)sc1C ZINC000435222840 489989470 /nfs/dbraw/zinc/98/94/70/489989470.db2.gz NYEWODMFKGAZLX-UHFFFAOYSA-N -1 1 360.505 0.591 10 0 FCAEMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000378413085 490060827 /nfs/dbraw/zinc/06/08/27/490060827.db2.gz TZGOIQNGGKRGNO-LLVKDONJSA-N -1 1 364.427 0.798 10 0 FCAEMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1 ZINC000378413085 490060830 /nfs/dbraw/zinc/06/08/30/490060830.db2.gz TZGOIQNGGKRGNO-LLVKDONJSA-N -1 1 364.427 0.798 10 0 FCAEMM COC(=O)c1ccc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000520304441 490130596 /nfs/dbraw/zinc/13/05/96/490130596.db2.gz LFMMTQDUQIKZMF-UHFFFAOYSA-N -1 1 352.372 0.566 10 0 FCAEMM COC(=O)c1ccc(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000520304441 490130605 /nfs/dbraw/zinc/13/06/05/490130605.db2.gz LFMMTQDUQIKZMF-UHFFFAOYSA-N -1 1 352.372 0.566 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000506889465 490150109 /nfs/dbraw/zinc/15/01/09/490150109.db2.gz GKXSAJQVNSJJRP-UHFFFAOYSA-N -1 1 367.339 0.337 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)cnc2n1 ZINC000521059487 490220290 /nfs/dbraw/zinc/22/02/90/490220290.db2.gz VHFNNUMYPJKMIH-LLVKDONJSA-N -1 1 364.427 0.785 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1)c2=O ZINC000521059487 490220297 /nfs/dbraw/zinc/22/02/97/490220297.db2.gz VHFNNUMYPJKMIH-LLVKDONJSA-N -1 1 364.427 0.785 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507890214 490275313 /nfs/dbraw/zinc/27/53/13/490275313.db2.gz QIPNGKTWEPIBQN-SNVBAGLBSA-N -1 1 371.353 0.597 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)cc1F)NC1(c2nn[n-]n2)CCCC1 ZINC000547424488 490290656 /nfs/dbraw/zinc/29/06/56/490290656.db2.gz YVEIKKOEYFBZKP-UHFFFAOYSA-N -1 1 350.329 0.793 10 0 FCAEMM CN(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccoc2)cc1 ZINC000508206279 490308968 /nfs/dbraw/zinc/30/89/68/490308968.db2.gz ONEDOMMXJREMRL-UHFFFAOYSA-N -1 1 373.456 0.920 10 0 FCAEMM COC(=O)c1ccccc1CCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000534024965 490310621 /nfs/dbraw/zinc/31/06/21/490310621.db2.gz KNFSCKSWSSRDPZ-UHFFFAOYSA-N -1 1 352.372 0.566 10 0 FCAEMM COC(=O)c1ccccc1CCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000534024965 490310630 /nfs/dbraw/zinc/31/06/30/490310630.db2.gz KNFSCKSWSSRDPZ-UHFFFAOYSA-N -1 1 352.372 0.566 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000522068574 490336867 /nfs/dbraw/zinc/33/68/67/490336867.db2.gz ZBTGCOHWNRMGLS-ZDUSSCGKSA-N -1 1 371.397 0.111 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000522068574 490336871 /nfs/dbraw/zinc/33/68/71/490336871.db2.gz ZBTGCOHWNRMGLS-ZDUSSCGKSA-N -1 1 371.397 0.111 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)s[n-]1 ZINC000411207034 490403122 /nfs/dbraw/zinc/40/31/22/490403122.db2.gz MQZJKSQMOHLVTA-GFCCVEGCSA-N -1 1 369.491 0.420 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](C)N1CCCCC1=O ZINC000509261895 490409506 /nfs/dbraw/zinc/40/95/06/490409506.db2.gz DMAMWCSXVBKJGH-JTQLQIEISA-N -1 1 358.420 0.266 10 0 FCAEMM Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1N(C)C ZINC000548239225 490446749 /nfs/dbraw/zinc/44/67/49/490446749.db2.gz ZJFIBSTYEJBDSI-UHFFFAOYSA-N -1 1 355.460 0.842 10 0 FCAEMM CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000548239064 490446931 /nfs/dbraw/zinc/44/69/31/490446931.db2.gz VZZKBAUKHBAUKX-UHFFFAOYSA-N -1 1 374.415 0.410 10 0 FCAEMM COC(=O)CC1(CS(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])CC1 ZINC000548540358 490501885 /nfs/dbraw/zinc/50/18/85/490501885.db2.gz KQFSVGPUURVEAH-GFCCVEGCSA-N -1 1 362.448 0.188 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)o1 ZINC000510490881 490521301 /nfs/dbraw/zinc/52/13/01/490521301.db2.gz RSAMJLBOHCWGLX-MRVPVSSYSA-N -1 1 351.402 0.310 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000500590916 490537079 /nfs/dbraw/zinc/53/70/79/490537079.db2.gz KUKSCEFVWDSYII-NSHDSACASA-N -1 1 363.399 0.452 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)[n-]1 ZINC000500590916 490537084 /nfs/dbraw/zinc/53/70/84/490537084.db2.gz KUKSCEFVWDSYII-NSHDSACASA-N -1 1 363.399 0.452 10 0 FCAEMM COc1cc(OC)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1OC ZINC000500597186 490537915 /nfs/dbraw/zinc/53/79/15/490537915.db2.gz YGIRHRGMRZGQSC-UHFFFAOYSA-N -1 1 356.360 0.486 10 0 FCAEMM COc1cc(OC)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1OC ZINC000500597186 490537918 /nfs/dbraw/zinc/53/79/18/490537918.db2.gz YGIRHRGMRZGQSC-UHFFFAOYSA-N -1 1 356.360 0.486 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1=O ZINC000549774360 490603220 /nfs/dbraw/zinc/60/32/20/490603220.db2.gz RWQUKPVUOZCVFR-HLTSFMKQSA-N -1 1 366.365 0.727 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c(C(F)(F)F)n1 ZINC000549799376 490607030 /nfs/dbraw/zinc/60/70/30/490607030.db2.gz AWPVQGQFDRVNKC-NSHDSACASA-N -1 1 357.354 0.506 10 0 FCAEMM CNC(=O)COc1cccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000537123769 490650218 /nfs/dbraw/zinc/65/02/18/490650218.db2.gz HGUCKEMQHIJUBP-CYBMUJFWSA-N -1 1 358.402 0.273 10 0 FCAEMM CC(=O)N1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000556931686 491343864 /nfs/dbraw/zinc/34/38/64/491343864.db2.gz YBDBNNUTOCKEEY-LBPRGKRZSA-N -1 1 371.459 0.955 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000512588997 490689077 /nfs/dbraw/zinc/68/90/77/490689077.db2.gz YLYZQVVOOJHLNR-UHFFFAOYSA-N -1 1 358.401 0.254 10 0 FCAEMM CCS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512588997 490689080 /nfs/dbraw/zinc/68/90/80/490689080.db2.gz YLYZQVVOOJHLNR-UHFFFAOYSA-N -1 1 358.401 0.254 10 0 FCAEMM Cc1c(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nnn1-c1ccccc1 ZINC000512601090 490690104 /nfs/dbraw/zinc/69/01/04/490690104.db2.gz DEPGCDKDTGIGBH-UHFFFAOYSA-N -1 1 361.387 0.279 10 0 FCAEMM Cc1c(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nnn1-c1ccccc1 ZINC000512601090 490690106 /nfs/dbraw/zinc/69/01/06/490690106.db2.gz DEPGCDKDTGIGBH-UHFFFAOYSA-N -1 1 361.387 0.279 10 0 FCAEMM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)CO2 ZINC000512625396 490690980 /nfs/dbraw/zinc/69/09/80/490690980.db2.gz PMQWKBNGXNPNSZ-SECBINFHSA-N -1 1 352.372 0.407 10 0 FCAEMM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)CO2 ZINC000512625396 490690984 /nfs/dbraw/zinc/69/09/84/490690984.db2.gz PMQWKBNGXNPNSZ-SECBINFHSA-N -1 1 352.372 0.407 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000572159407 491353107 /nfs/dbraw/zinc/35/31/07/491353107.db2.gz KOHQCGAMAGTUPB-GOEBONIOSA-N -1 1 361.442 0.804 10 0 FCAEMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000527489413 490729045 /nfs/dbraw/zinc/72/90/45/490729045.db2.gz VKDYEFGPULZKPZ-JTQLQIEISA-N -1 1 356.762 0.558 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000503285433 490749198 /nfs/dbraw/zinc/74/91/98/490749198.db2.gz SQUDEXGOGBESEB-KRWDZBQOSA-N -1 1 364.423 0.961 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 ZINC000528448442 490798122 /nfs/dbraw/zinc/79/81/22/490798122.db2.gz YRMSKBNKLSOXCC-UHFFFAOYSA-N -1 1 373.460 0.027 10 0 FCAEMM C[C@@]1(c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)NC(=O)NC1=O ZINC000540423151 490821896 /nfs/dbraw/zinc/82/18/96/490821896.db2.gz DHJMTCYCRVZHCC-DIFFPNOSSA-N -1 1 369.385 0.274 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H]2CCOC2)c(F)c1 ZINC000541326048 490858305 /nfs/dbraw/zinc/85/83/05/490858305.db2.gz SVQLKWZBRCAGOR-SNVBAGLBSA-N -1 1 366.436 0.902 10 0 FCAEMM CCCOc1cncc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000530157989 490892195 /nfs/dbraw/zinc/89/21/95/490892195.db2.gz ZITZJQOMEJATKR-UHFFFAOYSA-N -1 1 354.388 0.069 10 0 FCAEMM CCCN(CCC)C(=O)CCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000517099532 490894948 /nfs/dbraw/zinc/89/49/48/490894948.db2.gz BZHKRUUQJDJIOT-UHFFFAOYSA-N -1 1 359.452 0.966 10 0 FCAEMM CCCN(CCC)C(=O)CCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000517099532 490894951 /nfs/dbraw/zinc/89/49/51/490894951.db2.gz BZHKRUUQJDJIOT-UHFFFAOYSA-N -1 1 359.452 0.966 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCO1 ZINC000530276251 490897056 /nfs/dbraw/zinc/89/70/56/490897056.db2.gz YXHWWGAMGXMGNL-LLVKDONJSA-N -1 1 359.386 0.414 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCO1 ZINC000530276251 490897058 /nfs/dbraw/zinc/89/70/58/490897058.db2.gz YXHWWGAMGXMGNL-LLVKDONJSA-N -1 1 359.386 0.414 10 0 FCAEMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000530722500 490921251 /nfs/dbraw/zinc/92/12/51/490921251.db2.gz IKQJKCNWFSFJCT-UHFFFAOYSA-N -1 1 353.356 0.237 10 0 FCAEMM CN1CCN(C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)c2ccccc2)CC1 ZINC000530725232 490921509 /nfs/dbraw/zinc/92/15/09/490921509.db2.gz PJIDOMOTORMUPE-INIZCTEOSA-N -1 1 371.441 0.204 10 0 FCAEMM Cc1ncoc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000531117258 490941843 /nfs/dbraw/zinc/94/18/43/490941843.db2.gz XFUBBQUKOFWMLS-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000519694959 490984555 /nfs/dbraw/zinc/98/45/55/490984555.db2.gz UVORBXLXVYMFAY-ZYHUDNBSSA-N -1 1 372.381 0.816 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000519694955 490984632 /nfs/dbraw/zinc/98/46/32/490984632.db2.gz UVORBXLXVYMFAY-JQWIXIFHSA-N -1 1 372.381 0.816 10 0 FCAEMM Cn1c(=O)[nH]cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1=O ZINC000560971536 491567940 /nfs/dbraw/zinc/56/79/40/491567940.db2.gz GKLRJDOTTZYZNE-UHFFFAOYSA-N -1 1 356.335 0.249 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)Cn1ncc2ccccc2c1=O ZINC000561999297 491646118 /nfs/dbraw/zinc/64/61/18/491646118.db2.gz XLBYCBASRBJQAE-SECBINFHSA-N -1 1 363.399 0.642 10 0 FCAEMM O=C(CNS(=O)(=O)c1ccccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000584691308 491710275 /nfs/dbraw/zinc/71/02/75/491710275.db2.gz AQAMGRGWMUYRFQ-JTQLQIEISA-N -1 1 368.394 0.023 10 0 FCAEMM CCn1c2ccccc2n(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1=O ZINC000588006680 491737155 /nfs/dbraw/zinc/73/71/55/491737155.db2.gz QRADAVMRGUVPMV-UHFFFAOYSA-N -1 1 367.369 0.501 10 0 FCAEMM COC(=O)C[C@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)C(=O)OC ZINC000589214742 491757404 /nfs/dbraw/zinc/75/74/04/491757404.db2.gz WQDMXHVRXLNGLB-AWEZNQCLSA-N -1 1 355.412 0.426 10 0 FCAEMM CN1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1=O ZINC000581638996 491780976 /nfs/dbraw/zinc/78/09/76/491780976.db2.gz SNHKBJWKFPBOQV-UHFFFAOYSA-N -1 1 366.226 0.530 10 0 FCAEMM C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000582475124 491813778 /nfs/dbraw/zinc/81/37/78/491813778.db2.gz GQTZIYMHEHGASP-VLXJIEOASA-N -1 1 374.441 0.268 10 0 FCAEMM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cc(F)c(F)cc1F ZINC000591818452 491824007 /nfs/dbraw/zinc/82/40/07/491824007.db2.gz ODLFEDRRMWUMEZ-UHFFFAOYSA-N -1 1 372.390 0.808 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1OC)c1ccnn1C ZINC000592089903 491831196 /nfs/dbraw/zinc/83/11/96/491831196.db2.gz CNXOSRXJMREGJK-AWEZNQCLSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)c1sc2[n-]c(Cn3nnn(C4CC4)c3=O)nc(=O)c2c1C ZINC000583528134 491846862 /nfs/dbraw/zinc/84/68/62/491846862.db2.gz GEBVSBMBPSBQHU-UHFFFAOYSA-N -1 1 362.371 0.216 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC ZINC000594862631 491867777 /nfs/dbraw/zinc/86/77/77/491867777.db2.gz BLDJPNVGSJWANA-GYSYKLTISA-N -1 1 353.412 0.929 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]2CCC[C@H]21 ZINC000600546709 491867988 /nfs/dbraw/zinc/86/79/88/491867988.db2.gz KFNZHRUMNSUHJS-AEJSXWLSSA-N -1 1 351.359 0.700 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000594865698 491868194 /nfs/dbraw/zinc/86/81/94/491868194.db2.gz LNYOXVJRGDFEGZ-LLVKDONJSA-N -1 1 353.397 0.671 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)cc1C ZINC000595320416 491917947 /nfs/dbraw/zinc/91/79/47/491917947.db2.gz FBYHWHNEXVNQDU-CYBMUJFWSA-N -1 1 363.413 0.702 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)o1 ZINC000595367070 491924525 /nfs/dbraw/zinc/92/45/25/491924525.db2.gz LRVVKFOJUQCMAA-LLVKDONJSA-N -1 1 371.415 0.635 10 0 FCAEMM CCOC(=O)c1ccccc1NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595884640 491959096 /nfs/dbraw/zinc/95/90/96/491959096.db2.gz JGNSHNZXJPHBKF-KZULUSFZSA-N -1 1 362.382 0.835 10 0 FCAEMM COC(=O)c1ccccc1N(C)C(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595886688 491959344 /nfs/dbraw/zinc/95/93/44/491959344.db2.gz ZFFQDZGKOXFRNY-KZULUSFZSA-N -1 1 362.382 0.469 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)co1 ZINC000598162720 492086721 /nfs/dbraw/zinc/08/67/21/492086721.db2.gz OSULEOYINMSUMG-OAHLLOKOSA-N -1 1 374.415 0.418 10 0 FCAEMM O=C(Cn1nc(-c2ccccc2)oc1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605532311 492097715 /nfs/dbraw/zinc/09/77/15/492097715.db2.gz XJXYALXUGZHXDU-UHFFFAOYSA-N -1 1 355.358 0.602 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605532202 492097806 /nfs/dbraw/zinc/09/78/06/492097806.db2.gz RPTAZJHENKOLBA-GFCCVEGCSA-N -1 1 355.402 0.529 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n[n-]1 ZINC000615919208 492106872 /nfs/dbraw/zinc/10/68/72/492106872.db2.gz DUUSCDVYHMFPAN-UHFFFAOYSA-N -1 1 357.326 0.137 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000615919208 492106873 /nfs/dbraw/zinc/10/68/73/492106873.db2.gz DUUSCDVYHMFPAN-UHFFFAOYSA-N -1 1 357.326 0.137 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)n[n-]1 ZINC000616029951 492114907 /nfs/dbraw/zinc/11/49/07/492114907.db2.gz NZZHGUCKUMETIS-LLVKDONJSA-N -1 1 351.407 0.635 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)n1 ZINC000616029951 492114908 /nfs/dbraw/zinc/11/49/08/492114908.db2.gz NZZHGUCKUMETIS-LLVKDONJSA-N -1 1 351.407 0.635 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2cccc(OC)c2)n[n-]1 ZINC000616030157 492114940 /nfs/dbraw/zinc/11/49/40/492114940.db2.gz VVGOQXGDEVAQPN-UHFFFAOYSA-N -1 1 361.358 0.036 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2cccc(OC)c2)n1 ZINC000616030157 492114943 /nfs/dbraw/zinc/11/49/43/492114943.db2.gz VVGOQXGDEVAQPN-UHFFFAOYSA-N -1 1 361.358 0.036 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCn2c(C)c(C)sc2=O)n[n-]1 ZINC000616028379 492115016 /nfs/dbraw/zinc/11/50/16/492115016.db2.gz CFWITCZWPQBLFI-UHFFFAOYSA-N -1 1 353.404 0.528 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCn2c(C)c(C)sc2=O)n1 ZINC000616028379 492115017 /nfs/dbraw/zinc/11/50/17/492115017.db2.gz CFWITCZWPQBLFI-UHFFFAOYSA-N -1 1 353.404 0.528 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n[n-]1 ZINC000616030212 492115656 /nfs/dbraw/zinc/11/56/56/492115656.db2.gz XOWBXMRIDGPJAS-VIFPVBQESA-N -1 1 363.340 0.872 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)n1 ZINC000616030212 492115658 /nfs/dbraw/zinc/11/56/58/492115658.db2.gz XOWBXMRIDGPJAS-VIFPVBQESA-N -1 1 363.340 0.872 10 0 FCAEMM CCOC(=O)c1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)nc1C ZINC000598838369 492119060 /nfs/dbraw/zinc/11/90/60/492119060.db2.gz JTJTWMYHKHGSNX-UHFFFAOYSA-N -1 1 356.342 0.280 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000607342495 492144182 /nfs/dbraw/zinc/14/41/82/492144182.db2.gz CHSSACXADMBRAI-OAHLLOKOSA-N -1 1 356.430 0.986 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CC)[C@H](O)C(F)(F)F)on1 ZINC000599269534 492152469 /nfs/dbraw/zinc/15/24/69/492152469.db2.gz RGYSGSNECZJNDL-SCZZXKLOSA-N -1 1 374.337 0.973 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](COC)[C@H]2CCCO2)on1 ZINC000599293557 492156126 /nfs/dbraw/zinc/15/61/26/492156126.db2.gz ZHOYLKHIMIVYKQ-CHWSQXEVSA-N -1 1 362.404 0.465 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000599403431 492168675 /nfs/dbraw/zinc/16/86/75/492168675.db2.gz DGDZYJORETVLNK-HUUCEWRRSA-N -1 1 357.428 0.878 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000599404701 492168985 /nfs/dbraw/zinc/16/89/85/492168985.db2.gz WBMWZJNQIFQVOM-UGFHNGPFSA-N -1 1 357.428 0.876 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000619255207 492256346 /nfs/dbraw/zinc/25/63/46/492256346.db2.gz OPIAXIKWAYKGCE-XVKPBYJWSA-N -1 1 356.322 0.980 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)CCOC1 ZINC000610679933 492258207 /nfs/dbraw/zinc/25/82/07/492258207.db2.gz PLKWFBNRJWODLV-CYBMUJFWSA-N -1 1 351.327 0.584 10 0 FCAEMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1c([O-])cc(F)cc1F ZINC000619617984 492272374 /nfs/dbraw/zinc/27/23/74/492272374.db2.gz QROUMTOBKDGDNL-UHFFFAOYSA-N -1 1 371.384 0.533 10 0 FCAEMM COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000611603608 492291000 /nfs/dbraw/zinc/29/10/00/492291000.db2.gz HNNKFFZMEMBQOL-UHFFFAOYSA-N -1 1 372.263 0.260 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000647588019 492327325 /nfs/dbraw/zinc/32/73/25/492327325.db2.gz BSXCFZSSZQJAFS-AWEZNQCLSA-N -1 1 351.447 0.833 10 0 FCAEMM CN(C)S(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655081544 492400842 /nfs/dbraw/zinc/40/08/42/492400842.db2.gz NBHZLNZCBGAWNX-UHFFFAOYSA-N -1 1 355.338 0.537 10 0 FCAEMM Cn1cnc(CCCNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000648501160 492437235 /nfs/dbraw/zinc/43/72/35/492437235.db2.gz DDYFUZYOSWYIFU-UHFFFAOYSA-N -1 1 369.447 0.848 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4nncn4C)CC3)cnc2n1 ZINC000655409860 492441093 /nfs/dbraw/zinc/44/10/93/492441093.db2.gz JZQGAZPNBVVQEL-UHFFFAOYSA-N -1 1 353.386 0.735 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4nncn4C)CC3)c[n-]c2n1 ZINC000655409860 492441097 /nfs/dbraw/zinc/44/10/97/492441097.db2.gz JZQGAZPNBVVQEL-UHFFFAOYSA-N -1 1 353.386 0.735 10 0 FCAEMM CNC(=O)c1[nH]nnc1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883334 492493087 /nfs/dbraw/zinc/49/30/87/492493087.db2.gz UGTKKEYLJJEZGE-YFKPBYRVSA-N -1 1 357.296 0.650 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CN(C)C2=O)co1 ZINC000623288492 492538632 /nfs/dbraw/zinc/53/86/32/492538632.db2.gz ZGAFJXNMLPWHAZ-CQSZACIVSA-N -1 1 363.395 0.631 10 0 FCAEMM CNC(=O)CN1CCC(N=c2[n-]c(-c3cc(F)cc(OC)c3)no2)CC1 ZINC000623848568 492601660 /nfs/dbraw/zinc/60/16/60/492601660.db2.gz BFLCSLCIRVQKIC-UHFFFAOYSA-N -1 1 363.393 0.929 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1)C1CC1 ZINC000629287142 492601753 /nfs/dbraw/zinc/60/17/53/492601753.db2.gz GQGFEJBYVABZTG-AWEZNQCLSA-N -1 1 356.448 0.719 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)c1C ZINC000656375398 492616225 /nfs/dbraw/zinc/61/62/25/492616225.db2.gz JPCRTOOGOYHZGX-UHFFFAOYSA-N -1 1 368.456 0.532 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)[C@@H]1CCOC1 ZINC000656734211 492647375 /nfs/dbraw/zinc/64/73/75/492647375.db2.gz RXWOGYGNVDVGTD-YPMHNXCESA-N -1 1 353.404 0.456 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)[C@@H]1CCOC1 ZINC000656738608 492648393 /nfs/dbraw/zinc/64/83/93/492648393.db2.gz RLQLMDFFXHYOST-VXNVDRBHSA-N -1 1 354.226 0.965 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1Br)[C@@H]1CCOC1 ZINC000656738605 492648428 /nfs/dbraw/zinc/64/84/28/492648428.db2.gz RLQLMDFFXHYOST-APPZFPTMSA-N -1 1 354.226 0.965 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3cc(C)no3)CCOCC2)o1 ZINC000629727360 492664313 /nfs/dbraw/zinc/66/43/13/492664313.db2.gz CDUHTBIVFQFXDD-UHFFFAOYSA-N -1 1 369.399 0.920 10 0 FCAEMM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ncccc2Br)O1 ZINC000656934794 492672939 /nfs/dbraw/zinc/67/29/39/492672939.db2.gz LKASPGDHUZZVEL-IONNQARKSA-N -1 1 364.221 0.155 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1ncccc1Br ZINC000656943813 492675539 /nfs/dbraw/zinc/67/55/39/492675539.db2.gz LZVYJRVKPZLACR-ZETCQYMHSA-N -1 1 357.251 0.556 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O)[C@H]1CCOC1 ZINC000656957220 492678756 /nfs/dbraw/zinc/67/87/56/492678756.db2.gz OYSCLZSKGPSMGS-AEGPPILISA-N -1 1 354.428 0.373 10 0 FCAEMM O=S(=O)([N-]CCN1CCCOCC1)c1ncccc1Br ZINC000656967848 492681754 /nfs/dbraw/zinc/68/17/54/492681754.db2.gz MJIYKNZFYMLSCK-UHFFFAOYSA-N -1 1 364.265 0.845 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000656975358 492684163 /nfs/dbraw/zinc/68/41/63/492684163.db2.gz LMUZWPLMESFWKN-HTQZYQBOSA-N -1 1 359.326 0.559 10 0 FCAEMM Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[O-])[C@H](C)C2)n[nH]1 ZINC000657010113 492692913 /nfs/dbraw/zinc/69/29/13/492692913.db2.gz QQBZMMCPSBHMMC-GFCCVEGCSA-N -1 1 364.427 0.959 10 0 FCAEMM CC(C)(C)N1CC[C@H]1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000657036134 492701847 /nfs/dbraw/zinc/70/18/47/492701847.db2.gz ZVLJSSXEGLQYJY-VIFPVBQESA-N -1 1 367.431 0.587 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-]Cc2nnn(C(C)(C)C)n2)CCOCC1 ZINC000625263936 492747841 /nfs/dbraw/zinc/74/78/41/492747841.db2.gz FILUOJSFVRIWAI-UHFFFAOYSA-N -1 1 361.468 0.433 10 0 FCAEMM N=c1nc(N2CCN(C(=O)c3cccc(-n4cc[nH]c4=O)c3)CC2)s[n-]1 ZINC000651467619 492763995 /nfs/dbraw/zinc/76/39/95/492763995.db2.gz RLTCZCYMYPUILC-UHFFFAOYSA-N -1 1 371.426 0.804 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[n-]1 ZINC000651495616 492767699 /nfs/dbraw/zinc/76/76/99/492767699.db2.gz PYFIIVHNQCSHQO-OAHLLOKOSA-N -1 1 358.446 0.509 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1ncccc1Br ZINC000625383567 492770283 /nfs/dbraw/zinc/77/02/83/492770283.db2.gz NPMZLTMIXNSZLX-VHSXEESVSA-N -1 1 351.222 0.662 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)CCOCC1 ZINC000651636128 492797318 /nfs/dbraw/zinc/79/73/18/492797318.db2.gz ZLTKJYMEOGJZMK-AWEZNQCLSA-N -1 1 372.418 0.656 10 0 FCAEMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000631528739 492822866 /nfs/dbraw/zinc/82/28/66/492822866.db2.gz VXQZYJDLLIEWQD-JTQLQIEISA-N -1 1 362.356 0.782 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)[n-]1 ZINC000651806757 492826553 /nfs/dbraw/zinc/82/65/53/492826553.db2.gz ZLXASSUUTGKNOR-ZBFHGGJFSA-N -1 1 370.457 0.999 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000631674298 492833504 /nfs/dbraw/zinc/83/35/04/492833504.db2.gz MQQATGHJNJMQNA-UHFFFAOYSA-N -1 1 356.430 0.826 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)[n-]1 ZINC000651849481 492834492 /nfs/dbraw/zinc/83/44/92/492834492.db2.gz LEVXZGHNSNFUCL-UHFFFAOYSA-N -1 1 364.475 0.871 10 0 FCAEMM CNS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000651996826 492859437 /nfs/dbraw/zinc/85/94/37/492859437.db2.gz ASJFEZMFKGQHSD-UHFFFAOYSA-N -1 1 367.349 0.633 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c(=O)c2c(OC)c1 ZINC000625738967 492872833 /nfs/dbraw/zinc/87/28/33/492872833.db2.gz UCKLBNONGSYWTE-SNVBAGLBSA-N -1 1 359.382 0.896 10 0 FCAEMM C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC[C@H]1C(=O)[O-] ZINC000625956693 492907208 /nfs/dbraw/zinc/90/72/08/492907208.db2.gz WSDBFUHDXNISNJ-SMDDNHRTSA-N -1 1 357.370 0.775 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CN1c1ccc(F)cc1 ZINC000632197419 492948221 /nfs/dbraw/zinc/94/82/21/492948221.db2.gz QAYMCJISUQZYRV-KBPBESRZSA-N -1 1 367.402 0.224 10 0 FCAEMM COC1CC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000626276898 492957175 /nfs/dbraw/zinc/95/71/75/492957175.db2.gz QKLMLNSWKLYQQV-UHFFFAOYSA-N -1 1 370.427 0.777 10 0 FCAEMM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000645865808 492986064 /nfs/dbraw/zinc/98/60/64/492986064.db2.gz DJJJAAPFSXUTKA-MRVPVSSYSA-N -1 1 365.408 0.006 10 0 FCAEMM O=C([O-])[C@H]1CC[C@@H](NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000646180598 493024227 /nfs/dbraw/zinc/02/42/27/493024227.db2.gz QTKOANHBTCGRMA-USXIJHARSA-N -1 1 361.442 0.958 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000646410283 493046659 /nfs/dbraw/zinc/04/66/59/493046659.db2.gz AZPQEOFNUBHROG-HNNXBMFYSA-N -1 1 369.381 0.838 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c(=O)c2c(OC)c1 ZINC000626916447 493062388 /nfs/dbraw/zinc/06/23/88/493062388.db2.gz DFZZCFRDZJKJLE-JTQLQIEISA-N -1 1 359.382 0.848 10 0 FCAEMM O=S(=O)(Cc1ncsc1Br)[N-][C@@H]1COCC[C@H]1O ZINC000632707193 493068345 /nfs/dbraw/zinc/06/83/45/493068345.db2.gz GSLVZTQHZLIUAT-HTRCEHHLSA-N -1 1 357.251 0.475 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1-n1cnnn1)C1CCOCC1 ZINC000647124717 493167344 /nfs/dbraw/zinc/16/73/44/493167344.db2.gz VYXZYVBYDPBIDB-OAHLLOKOSA-N -1 1 367.431 0.846 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)c1cccs1 ZINC000659643943 493227797 /nfs/dbraw/zinc/22/77/97/493227797.db2.gz JICVJCCWJVIZLN-NSHDSACASA-N -1 1 353.444 0.838 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000660036623 493317945 /nfs/dbraw/zinc/31/79/45/493317945.db2.gz RDRBSSFVGWTKEX-VXGBXAGGSA-N -1 1 356.448 0.487 10 0 FCAEMM COc1cc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc(OC)c1 ZINC000662220630 493497750 /nfs/dbraw/zinc/49/77/50/493497750.db2.gz PGRWIJUKDZUDDK-PIGZYNQJSA-N -1 1 350.371 0.675 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](CO)CN1CCOCC1 ZINC000670385144 493559732 /nfs/dbraw/zinc/55/97/32/493559732.db2.gz BBIDKZCPPOKURR-GFCCVEGCSA-N -1 1 352.435 0.211 10 0 FCAEMM CCOc1cc(C(=O)N[C@@H](CO)CN2CCOCC2)cc(Cl)c1[O-] ZINC000670385350 493559965 /nfs/dbraw/zinc/55/99/65/493559965.db2.gz TXILPOKUEUYGLZ-GFCCVEGCSA-N -1 1 358.822 0.867 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)co1 ZINC000677299706 493595425 /nfs/dbraw/zinc/59/54/25/493595425.db2.gz ICECSYVZUZOXQP-UHFFFAOYSA-N -1 1 371.459 0.908 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)C1CCC1 ZINC000663631364 493606908 /nfs/dbraw/zinc/60/69/08/493606908.db2.gz ZLDYZFQCKYTOBV-LSDHHAIUSA-N -1 1 351.447 0.737 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000663633484 493607954 /nfs/dbraw/zinc/60/79/54/493607954.db2.gz ITBBZICHAKZYAH-GUTXKFCHSA-N -1 1 369.462 0.219 10 0 FCAEMM COc1cccc([C@H]2[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCN2C2CC2)c1 ZINC000679265629 493673357 /nfs/dbraw/zinc/67/33/57/493673357.db2.gz HGBLLCBJVDSPFM-HIFRSBDPSA-N -1 1 371.397 0.999 10 0 FCAEMM Cn1nccc1[C@@H]([N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000592106097 546608282 /nfs/dbraw/zinc/60/82/82/546608282.db2.gz PAKXGGZFLWMUDY-WCQYABFASA-N -1 1 359.448 0.759 10 0 FCAEMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106153 546608743 /nfs/dbraw/zinc/60/87/43/546608743.db2.gz QMDKOKJPGWVEEV-ZYHUDNBSSA-N -1 1 374.463 0.199 10 0 FCAEMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000593649350 546728174 /nfs/dbraw/zinc/72/81/74/546728174.db2.gz IXUZDHSDAHJBSM-VXGBXAGGSA-N -1 1 364.464 0.273 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c1F ZINC000594448265 546792960 /nfs/dbraw/zinc/79/29/60/546792960.db2.gz DMFAZAXIAYQCCE-VIFPVBQESA-N -1 1 364.782 0.823 10 0 FCAEMM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000594767290 546821570 /nfs/dbraw/zinc/82/15/70/546821570.db2.gz CGOZAZOZFSIUGJ-LLVKDONJSA-N -1 1 367.221 0.437 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)c1ccnn1C ZINC000594793424 546825486 /nfs/dbraw/zinc/82/54/86/546825486.db2.gz GTKWPXOJOVCDRZ-AWEZNQCLSA-N -1 1 355.391 0.935 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000594803507 546827443 /nfs/dbraw/zinc/82/74/43/546827443.db2.gz PRFCWWVHZCUZLM-GFCCVEGCSA-N -1 1 364.379 0.932 10 0 FCAEMM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1nc[nH]c1Br ZINC000866847977 663141617 /nfs/dbraw/zinc/14/16/17/663141617.db2.gz KGNNYRFLQRDRBN-UHFFFAOYSA-N -1 1 372.244 0.980 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000866873033 663472912 /nfs/dbraw/zinc/47/29/12/663472912.db2.gz KKEGAAZUXAIUHN-LRTDBIEQSA-N -1 1 354.542 0.211 10 0 FCAEMM CO[C@@H](CS(=O)(=O)N1CCC(c2nc(=O)[n-][nH]2)CC1)c1ccccc1 ZINC000297010753 664243889 /nfs/dbraw/zinc/24/38/89/664243889.db2.gz KAFUTIZMNCRQAB-AWEZNQCLSA-N -1 1 366.443 0.995 10 0 FCAEMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000728071008 665121308 /nfs/dbraw/zinc/12/13/08/665121308.db2.gz SAXWGDUYUWVGBM-RDOCRHDPSA-N -1 1 373.460 0.405 10 0 FCAEMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000728071008 665121309 /nfs/dbraw/zinc/12/13/09/665121309.db2.gz SAXWGDUYUWVGBM-RDOCRHDPSA-N -1 1 373.460 0.405 10 0 FCAEMM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866942277 665220144 /nfs/dbraw/zinc/22/01/44/665220144.db2.gz RFORXCQBKHCZCG-IUCAKERBSA-N -1 1 357.354 0.911 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000866953564 665242362 /nfs/dbraw/zinc/24/23/62/665242362.db2.gz RUXZARJRJKPYBC-SECBINFHSA-N -1 1 352.869 0.876 10 0 FCAEMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867458249 665260495 /nfs/dbraw/zinc/26/04/95/665260495.db2.gz KTGAYQMMPGLWOM-ZCFIWIBFSA-N -1 1 358.189 0.362 10 0 FCAEMM O=C([O-])[C@H](CF)NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000908753811 666217205 /nfs/dbraw/zinc/21/72/05/666217205.db2.gz PYJHJUWWZSBCFO-HNNXBMFYSA-N -1 1 352.410 0.526 10 0 FCAEMM COc1cc(COCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccn1 ZINC000910175041 666239767 /nfs/dbraw/zinc/23/97/67/666239767.db2.gz KFOHRXNKCCNOHJ-CYBMUJFWSA-N -1 1 351.403 0.614 10 0 FCAEMM COC(OC)C(=O)N1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000912348220 666433007 /nfs/dbraw/zinc/43/30/07/666433007.db2.gz AVJCSZSHRFBQTG-UHFFFAOYSA-N -1 1 356.806 0.878 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCCN2CCSC[C@@H]12 ZINC000921322612 666433074 /nfs/dbraw/zinc/43/30/74/666433074.db2.gz VQWXSJSQIOVMEQ-NEPJUHHUSA-N -1 1 353.535 0.662 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)c1Cl ZINC000921323135 666433427 /nfs/dbraw/zinc/43/34/27/666433427.db2.gz DBDOQTBLIFPDEY-VHSXEESVSA-N -1 1 350.897 0.932 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000921338240 666435678 /nfs/dbraw/zinc/43/56/78/666435678.db2.gz DMEISISGMUCNES-GFCCVEGCSA-N -1 1 370.258 0.360 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000921338241 666435735 /nfs/dbraw/zinc/43/57/35/666435735.db2.gz DMEISISGMUCNES-LBPRGKRZSA-N -1 1 370.258 0.360 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000921338563 666436037 /nfs/dbraw/zinc/43/60/37/666436037.db2.gz LETKEMUTSFUTHH-OAHLLOKOSA-N -1 1 358.391 0.543 10 0 FCAEMM O=C(C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1)c1ccc([O-])cc1 ZINC000913124544 666504309 /nfs/dbraw/zinc/50/43/09/666504309.db2.gz HWODMJICJXQACE-OAHLLOKOSA-N -1 1 366.439 0.296 10 0 FCAEMM CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000914372866 666747495 /nfs/dbraw/zinc/74/74/95/666747495.db2.gz LJJTXQXPFBZFMK-VIFPVBQESA-N -1 1 369.212 0.115 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](O)C2CCOCC2)cc1 ZINC000735947626 667060983 /nfs/dbraw/zinc/06/09/83/667060983.db2.gz MFOPFQSUASPUJH-OAHLLOKOSA-N -1 1 351.355 0.282 10 0 FCAEMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)CCn1cccn1 ZINC000867462207 667092821 /nfs/dbraw/zinc/09/28/21/667092821.db2.gz ATHKYJXNZICPEA-ZDUSSCGKSA-N -1 1 359.448 0.693 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(C(F)(F)F)n1 ZINC000921614828 667144758 /nfs/dbraw/zinc/14/47/58/667144758.db2.gz XKSWTZXEMWMFPR-HLTSFMKQSA-N -1 1 355.338 0.521 10 0 FCAEMM O=C([N-]CC1CN(S(=O)(=O)c2ccnn2C2CCC2)C1)C(F)(F)F ZINC000919166086 667160516 /nfs/dbraw/zinc/16/05/16/667160516.db2.gz FGFFIDPOYSNJRQ-UHFFFAOYSA-N -1 1 366.365 0.907 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@@H](C)CS(C)(=O)=O ZINC000758017166 667741356 /nfs/dbraw/zinc/74/13/56/667741356.db2.gz UDESMNBDEIXFME-SECBINFHSA-N -1 1 355.416 0.818 10 0 FCAEMM CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923254536 667817043 /nfs/dbraw/zinc/81/70/43/667817043.db2.gz ATHUVQOKKQCFBM-SDDRHHMPSA-N -1 1 370.368 0.759 10 0 FCAEMM CC(C)COC[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923255675 667819675 /nfs/dbraw/zinc/81/96/75/667819675.db2.gz PQDMXRHIMJZICG-GRYCIOLGSA-N -1 1 370.368 0.616 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)[n-]1 ZINC000738514488 667921595 /nfs/dbraw/zinc/92/15/95/667921595.db2.gz WIQFVZSKIMLGCK-UHFFFAOYSA-N -1 1 351.323 0.180 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)n[n-]1 ZINC000738514488 667921596 /nfs/dbraw/zinc/92/15/96/667921596.db2.gz WIQFVZSKIMLGCK-UHFFFAOYSA-N -1 1 351.323 0.180 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC2(CO)CCOCC2)c1C(F)(F)F ZINC000866995271 667961925 /nfs/dbraw/zinc/96/19/25/667961925.db2.gz BRRDRYHEQPQUSS-UHFFFAOYSA-N -1 1 357.354 0.506 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)s1 ZINC000788148091 668005400 /nfs/dbraw/zinc/00/54/00/668005400.db2.gz LQNWRXWLPXIVNN-JTQLQIEISA-N -1 1 352.445 0.828 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(CC[S@](C)=O)CC3)cnc2n1 ZINC000741140334 668011901 /nfs/dbraw/zinc/01/19/01/668011901.db2.gz JXWGCQPOFOOQOR-VWLOTQADSA-N -1 1 362.455 0.780 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(CC[S@](C)=O)CC3)c[n-]c2n1 ZINC000741140334 668011903 /nfs/dbraw/zinc/01/19/03/668011903.db2.gz JXWGCQPOFOOQOR-VWLOTQADSA-N -1 1 362.455 0.780 10 0 FCAEMM CCCNC(=O)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804871085 668030032 /nfs/dbraw/zinc/03/00/32/668030032.db2.gz QERLEXPPRKKQQY-NHCYSSNCSA-N -1 1 366.384 1.000 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c(=O)[nH]c1=O ZINC000769660831 668147477 /nfs/dbraw/zinc/14/74/77/668147477.db2.gz QLRWDRBJFPQPRO-QWHCGFSZSA-N -1 1 373.475 0.969 10 0 FCAEMM C[C@H]1CCOCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000774797114 668174536 /nfs/dbraw/zinc/17/45/36/668174536.db2.gz OFFBPELSBSVCQD-JTQLQIEISA-N -1 1 366.436 0.997 10 0 FCAEMM CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])COC1 ZINC000770856328 668224764 /nfs/dbraw/zinc/22/47/64/668224764.db2.gz VWHDYNMFSWUMGY-UHFFFAOYSA-N -1 1 370.427 0.778 10 0 FCAEMM COc1cc(C(=O)NCCOCCS(C)(=O)=O)cc(Cl)c1[O-] ZINC000785596709 668720364 /nfs/dbraw/zinc/72/03/64/668720364.db2.gz DNGBXPRGQSEHPW-UHFFFAOYSA-N -1 1 351.808 0.845 10 0 FCAEMM CN(C)c1nc(C(=O)OCc2ccc(NS(C)(=O)=O)cc2)cc(=O)[n-]1 ZINC000786495409 668763441 /nfs/dbraw/zinc/76/34/41/668763441.db2.gz CDNPXMWZRUXJDZ-UHFFFAOYSA-N -1 1 366.399 0.977 10 0 FCAEMM Cn1ncc(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000791712577 668893208 /nfs/dbraw/zinc/89/32/08/668893208.db2.gz FIHRVIBWUKPWKK-UHFFFAOYSA-N -1 1 370.387 0.525 10 0 FCAEMM COCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795974152 669074030 /nfs/dbraw/zinc/07/40/30/669074030.db2.gz BWKKAXKKRLGAJT-QMMMGPOBSA-N -1 1 369.798 0.941 10 0 FCAEMM O=C(NNC(=S)NCCN1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000038377779 674998337 /nfs/dbraw/zinc/99/83/37/674998337.db2.gz CVHUYAOSEGERCE-UHFFFAOYSA-N -1 1 358.851 0.487 10 0 FCAEMM C[C@H]1CCN(C(=O)CSCC(N)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807707747 669509645 /nfs/dbraw/zinc/50/96/45/669509645.db2.gz ZTFXJNUSYDWKPT-LAEOZQHASA-N -1 1 355.382 0.509 10 0 FCAEMM C[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807705403 669509914 /nfs/dbraw/zinc/50/99/14/669509914.db2.gz CMBLIZUGTXASEV-KWBADKCTSA-N -1 1 365.352 0.149 10 0 FCAEMM C[C@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)S(C)(=O)=O ZINC000807802553 669517180 /nfs/dbraw/zinc/51/71/80/669517180.db2.gz ZSPUWWXTQMMDCM-QEYWKRMJSA-N -1 1 358.382 0.724 10 0 FCAEMM Cn1ccnc1[C@@](O)(CC[N-]S(=O)(=O)c1cscn1)C(F)(F)F ZINC000827187683 669546754 /nfs/dbraw/zinc/54/67/54/669546754.db2.gz IYPTUBLNQVZHPQ-JTQLQIEISA-N -1 1 370.378 0.995 10 0 FCAEMM CC[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OC ZINC000828049541 669612861 /nfs/dbraw/zinc/61/28/61/669612861.db2.gz ZBZNINMNFKCZJU-QMMMGPOBSA-N -1 1 368.253 0.969 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)Nc3nn[n-]n3)=NO2)C1 ZINC000828074921 669614448 /nfs/dbraw/zinc/61/44/48/669614448.db2.gz ZRWFDRRHTFITML-AWEZNQCLSA-N -1 1 351.367 0.684 10 0 FCAEMM CCn1cnc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810088050 669662627 /nfs/dbraw/zinc/66/26/27/669662627.db2.gz FLHPOKDFWYSAHL-JTQLQIEISA-N -1 1 368.381 0.982 10 0 FCAEMM Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812275917 669793955 /nfs/dbraw/zinc/79/39/55/669793955.db2.gz FGNQRWVEMMHJML-SECBINFHSA-N -1 1 360.336 0.655 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000831332992 669841913 /nfs/dbraw/zinc/84/19/13/669841913.db2.gz NTPHQQSCCWGWJS-KOLCDFICSA-N -1 1 369.472 0.466 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)c1C(F)(F)F ZINC000867109363 669941625 /nfs/dbraw/zinc/94/16/25/669941625.db2.gz JDFMPMBTKWRLNK-JTQLQIEISA-N -1 1 371.381 0.895 10 0 FCAEMM O=C(Cc1ncc[nH]1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000816830477 669981712 /nfs/dbraw/zinc/98/17/12/669981712.db2.gz IFDBTGPJKRZODY-UHFFFAOYSA-N -1 1 366.399 0.317 10 0 FCAEMM C[S@@](=O)(=NS(=O)(=O)[N-]CCN1CCCOCC1)c1ccccc1 ZINC000867157551 670024293 /nfs/dbraw/zinc/02/42/93/670024293.db2.gz ZYPLCMWIKUJPJF-QFIPXVFZSA-N -1 1 361.489 0.700 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000867183637 670055327 /nfs/dbraw/zinc/05/53/27/670055327.db2.gz IQDJFDCQVKWYIN-SNVBAGLBSA-N -1 1 356.416 0.678 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC(F)(F)C2)o1 ZINC000837685769 670123300 /nfs/dbraw/zinc/12/33/00/670123300.db2.gz VVALYQVIUSMWHN-QMMMGPOBSA-N -1 1 366.342 0.635 10 0 FCAEMM CC1(C)Oc2ccsc2[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1O ZINC000837965846 670138919 /nfs/dbraw/zinc/13/89/19/670138919.db2.gz FSFQUJGPWYUSJK-YPMHNXCESA-N -1 1 365.411 0.378 10 0 FCAEMM CC[C@](COC)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC ZINC000841532773 670582401 /nfs/dbraw/zinc/58/24/01/670582401.db2.gz YYTJKKDSXHFKAF-GFCCVEGCSA-N -1 1 353.828 0.628 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)CN1C1CC1 ZINC000867274484 670611925 /nfs/dbraw/zinc/61/19/25/670611925.db2.gz HUXGKVGQZGBHJH-NORZTCDRSA-N -1 1 352.412 0.164 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)s2)C1)C(F)(F)F ZINC000867283582 670629694 /nfs/dbraw/zinc/62/96/94/670629694.db2.gz YSLCDEYNTUCWCV-SSDOTTSWSA-N -1 1 373.378 0.928 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cc(OC(F)F)n(C)n2)CCC1 ZINC000843015516 670766815 /nfs/dbraw/zinc/76/68/15/670766815.db2.gz LCGJMFXSAJFLPB-UHFFFAOYSA-N -1 1 366.390 0.565 10 0 FCAEMM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cn1 ZINC000843015561 670767303 /nfs/dbraw/zinc/76/73/03/670767303.db2.gz MIMTVBVOIDSCGM-WAYWQWQTSA-N -1 1 354.432 0.429 10 0 FCAEMM CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1=O ZINC000843017885 670767958 /nfs/dbraw/zinc/76/79/58/670767958.db2.gz CXHGXOMXQCGSKG-CYBMUJFWSA-N -1 1 359.492 0.421 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000844069394 670892536 /nfs/dbraw/zinc/89/25/36/670892536.db2.gz BULVXDHZYAGRDK-UHFFFAOYSA-N -1 1 361.420 0.496 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)c1C(F)(F)F ZINC000867378182 670960995 /nfs/dbraw/zinc/96/09/95/670960995.db2.gz SWRVDTMHZNJQQM-IUCAKERBSA-N -1 1 366.365 0.871 10 0 FCAEMM Cn1cnnc1CCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867381693 670982914 /nfs/dbraw/zinc/98/29/14/670982914.db2.gz QEPNRVLTDSYWDO-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)NCC[C@]2(O)CCOC2)C1)C(F)(F)F ZINC000845455603 671006194 /nfs/dbraw/zinc/00/61/94/671006194.db2.gz SLBVWNHLZODXFK-RISCZKNCSA-N -1 1 367.368 0.628 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000845464307 671007422 /nfs/dbraw/zinc/00/74/22/671007422.db2.gz USMGOHMPUSXXOX-QJPTWQEYSA-N -1 1 351.407 0.858 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)c1C(F)(F)F ZINC000867406303 671089074 /nfs/dbraw/zinc/08/90/74/671089074.db2.gz JKLMWZWYHJFROL-RKDXNWHRSA-N -1 1 357.354 0.505 10 0 FCAEMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 ZINC000867427943 671122412 /nfs/dbraw/zinc/12/24/12/671122412.db2.gz ALJXAQRISBLPAU-UHFFFAOYSA-N -1 1 352.342 0.837 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000847049830 671168633 /nfs/dbraw/zinc/16/86/33/671168633.db2.gz YNGXOBHHVMLAFN-MMWGEVLESA-N -1 1 370.393 0.868 10 0 FCAEMM CC(C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849231385 671323463 /nfs/dbraw/zinc/32/34/63/671323463.db2.gz COHGJGLWRFEAJB-RKDXNWHRSA-N -1 1 360.354 0.568 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)nc1Cl ZINC000849447909 671347500 /nfs/dbraw/zinc/34/75/00/671347500.db2.gz WEVAVOZANLMQQS-CYBMUJFWSA-N -1 1 365.839 0.853 10 0 FCAEMM CCc1nc(S(=O)(=O)[N-]C(=O)CCc2nc[nH]n2)cn1CC1CC1 ZINC000851475749 671442681 /nfs/dbraw/zinc/44/26/81/671442681.db2.gz OOVXFQPMBNKULC-UHFFFAOYSA-N -1 1 352.420 0.411 10 0 FCAEMM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851882852 671476254 /nfs/dbraw/zinc/47/62/54/671476254.db2.gz IRDCTYIZCFAMEU-ZNSHCXBVSA-N -1 1 358.382 0.883 10 0 FCAEMM C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852061485 671484391 /nfs/dbraw/zinc/48/43/91/671484391.db2.gz UPNJBCHGBVNCMR-VWYCJHECSA-N -1 1 362.356 0.765 10 0 FCAEMM COC(=O)CC1(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC000852733818 671520438 /nfs/dbraw/zinc/52/04/38/671520438.db2.gz ZTGLHOFNMXSMFK-GXSJLCMTSA-N -1 1 366.336 0.926 10 0 FCAEMM CCc1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852734490 671520668 /nfs/dbraw/zinc/52/06/68/671520668.db2.gz BNXMTLJXZCRQEV-OIBJUYFYSA-N -1 1 350.297 0.728 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC000852958199 671534004 /nfs/dbraw/zinc/53/40/04/671534004.db2.gz GGQKVDBYCDNEID-GXSJLCMTSA-N -1 1 363.292 0.648 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC000852958184 671534078 /nfs/dbraw/zinc/53/40/78/671534078.db2.gz FXCRWHSQZKLSFZ-KOLCDFICSA-N -1 1 363.292 0.648 10 0 FCAEMM C[C@H]1CCN(c2cc(=O)n(C)c(=O)n2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000853627729 671552292 /nfs/dbraw/zinc/55/22/92/671552292.db2.gz ZPSUEOMHNFBOOS-AUTRQRHGSA-N -1 1 362.352 0.366 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)COC1 ZINC000903176982 675918852 /nfs/dbraw/zinc/91/88/52/675918852.db2.gz XHIJAUVHPHXVNT-UHFFFAOYSA-N -1 1 371.839 0.712 10 0 FCAEMM C[C@@H](O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000855748762 671662959 /nfs/dbraw/zinc/66/29/59/671662959.db2.gz PYSPBFDUWQCNKC-BBBLOLIVSA-N -1 1 368.352 0.747 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)c1 ZINC000856763128 671700833 /nfs/dbraw/zinc/70/08/33/671700833.db2.gz AHIVZOSOTKCWOP-UHFFFAOYSA-N -1 1 374.293 0.297 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)CNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000856863468 671704627 /nfs/dbraw/zinc/70/46/27/671704627.db2.gz NTXGETJPWGNPJT-UHFFFAOYSA-N -1 1 360.296 0.416 10 0 FCAEMM CCn1ncc(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000858659628 671771780 /nfs/dbraw/zinc/77/17/80/671771780.db2.gz OYIMZXKQUFQLCS-UHFFFAOYSA-N -1 1 362.356 0.898 10 0 FCAEMM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CCC1=O ZINC000859000254 671788410 /nfs/dbraw/zinc/78/84/10/671788410.db2.gz AFWGVJUWCGVXRP-ZETCQYMHSA-N -1 1 366.212 0.882 10 0 FCAEMM COCCN1CC[C@H](NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000859271577 671806145 /nfs/dbraw/zinc/80/61/45/671806145.db2.gz FYRIFLNMGQMTTQ-JTQLQIEISA-N -1 1 363.336 0.909 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000859341075 671817510 /nfs/dbraw/zinc/81/75/10/671817510.db2.gz AYVNMMRCVQZVOG-RKDXNWHRSA-N -1 1 351.812 0.700 10 0 FCAEMM COc1ccc(NC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N-]S(C)(=O)=O ZINC000860699962 671908861 /nfs/dbraw/zinc/90/88/61/671908861.db2.gz MYDXOBWTVJQITN-MWLCHTKSSA-N -1 1 369.399 0.703 10 0 FCAEMM CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000863862422 672160239 /nfs/dbraw/zinc/16/02/39/672160239.db2.gz RONYQPSCHIWEOL-UHFFFAOYSA-N -1 1 373.435 0.792 10 0 FCAEMM CN(C(=O)OC(C)(C)C)C1CC(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000863862422 672160243 /nfs/dbraw/zinc/16/02/43/672160243.db2.gz RONYQPSCHIWEOL-UHFFFAOYSA-N -1 1 373.435 0.792 10 0 FCAEMM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866742191 672295682 /nfs/dbraw/zinc/29/56/82/672295682.db2.gz RESCHELYDAPPIO-UHFFFAOYSA-N -1 1 368.381 0.976 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c1C(F)(F)F ZINC000866761320 672300064 /nfs/dbraw/zinc/30/00/64/672300064.db2.gz UCOFXILBSGOGAN-SECBINFHSA-N -1 1 357.354 0.770 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000867484993 672323561 /nfs/dbraw/zinc/32/35/61/672323561.db2.gz LBWFSARQUNGALN-RWMBFGLXSA-N -1 1 353.510 0.580 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C1CCOCC1 ZINC000867499030 672326348 /nfs/dbraw/zinc/32/63/48/672326348.db2.gz QVTSTTLAUMSUPL-SECBINFHSA-N -1 1 368.253 0.892 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCN1C[C@H]2CCCCN2C1=O ZINC000867529086 672331932 /nfs/dbraw/zinc/33/19/32/672331932.db2.gz HIOGVHRJAPUYDB-WSVYEEACSA-N -1 1 352.482 0.229 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CCN1C1CCC1 ZINC000867569525 672339150 /nfs/dbraw/zinc/33/91/50/672339150.db2.gz NFDRKWJUYOXOJO-MRVPVSSYSA-N -1 1 363.237 0.604 10 0 FCAEMM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC000867587374 672342566 /nfs/dbraw/zinc/34/25/66/672342566.db2.gz VLOOQKZCPBBIFG-MNOVXSKESA-N -1 1 366.233 0.637 10 0 FCAEMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)c(F)c1 ZINC000867748625 672362630 /nfs/dbraw/zinc/36/26/30/672362630.db2.gz AZBDUFIILLCNGD-CQSZACIVSA-N -1 1 362.354 0.773 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc4ccccc4o3)COCCN12 ZINC000867750849 672363600 /nfs/dbraw/zinc/36/36/00/672363600.db2.gz ZWRFKVHNNSYPOT-OAHLLOKOSA-N -1 1 352.368 0.932 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000867774757 672366344 /nfs/dbraw/zinc/36/63/44/672366344.db2.gz JHZMYEWJQQELEF-JMCQJSRRSA-N -1 1 353.318 0.960 10 0 FCAEMM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3cc4ccccc4o3)COCCN12 ZINC000867792178 672368200 /nfs/dbraw/zinc/36/82/00/672368200.db2.gz UVYPSLYCWXWJOA-MRXNPFEDSA-N -1 1 366.395 0.339 10 0 FCAEMM O=C([N-]CC1CN(S(=O)(=O)CCC[C@H]2CCOC2)C1)C(F)(F)F ZINC000867900458 672380229 /nfs/dbraw/zinc/38/02/29/672380229.db2.gz QMFPMMSDFXYVCO-JTQLQIEISA-N -1 1 358.382 0.743 10 0 FCAEMM NC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(I)cc2[O-])C1 ZINC000869142399 672424465 /nfs/dbraw/zinc/42/44/65/672424465.db2.gz PFZIJZRPRWRHAM-WRXNHJIOSA-N -1 1 360.151 0.991 10 0 FCAEMM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869390560 672430229 /nfs/dbraw/zinc/43/02/29/672430229.db2.gz XBNGQKBBCWXGRS-SECBINFHSA-N -1 1 356.322 0.089 10 0 FCAEMM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869390501 672430268 /nfs/dbraw/zinc/43/02/68/672430268.db2.gz WHSCEKWMVVFNSO-SECBINFHSA-N -1 1 370.349 0.479 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)C1CN(CC(F)(F)F)C1 ZINC000869503634 672437003 /nfs/dbraw/zinc/43/70/03/672437003.db2.gz SSROGWFQOJNIAF-UHFFFAOYSA-N -1 1 364.242 0.661 10 0 FCAEMM CCOC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000870446057 672492727 /nfs/dbraw/zinc/49/27/27/672492727.db2.gz BGNAFUZWEOAFCV-QWHCGFSZSA-N -1 1 360.476 0.896 10 0 FCAEMM CCOC(=O)[C@@]1(C)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CCO1 ZINC000871220293 672536687 /nfs/dbraw/zinc/53/66/87/672536687.db2.gz AGPYYMWIXMAJIQ-OAHLLOKOSA-N -1 1 350.400 0.812 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871997197 672592089 /nfs/dbraw/zinc/59/20/89/672592089.db2.gz PRGIEJBUZVUXNZ-NWANDNLSSA-N -1 1 356.444 0.668 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)c3ncccc3C2)o1 ZINC000872300128 672611262 /nfs/dbraw/zinc/61/12/62/672611262.db2.gz GWOVNSSUNFCHAA-UHFFFAOYSA-N -1 1 350.400 0.675 10 0 FCAEMM CSc1nc(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc(=O)[n-]1 ZINC000880651266 673204001 /nfs/dbraw/zinc/20/40/01/673204001.db2.gz KESNDFYINQTCQQ-BDAKNGLRSA-N -1 1 353.322 0.867 10 0 FCAEMM C[C@H](O)[C@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000717384690 673576642 /nfs/dbraw/zinc/57/66/42/673576642.db2.gz JTDHSJOQIJUBND-QUBYGPBYSA-N -1 1 351.140 0.468 10 0 FCAEMM COC(=O)/C(C)=C/CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000925018947 673773943 /nfs/dbraw/zinc/77/39/43/673773943.db2.gz WKHDGMFCBOQUJH-FAFAAHBOSA-N -1 1 351.325 0.958 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-] ZINC000927940699 673892085 /nfs/dbraw/zinc/89/20/85/673892085.db2.gz HVMDINPKZSOHPR-CYBMUJFWSA-N -1 1 371.503 0.691 10 0 FCAEMM Cc1ncccc1NC(=O)[C@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001625863745 1169492528 /nfs/dbraw/zinc/49/25/28/1169492528.db2.gz PJDZVUHOXDOLKZ-NSHDSACASA-N -1 1 357.370 0.364 10 0 FCAEMM COc1cc(CCNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)ccn1 ZINC001687257565 1170079438 /nfs/dbraw/zinc/07/94/38/1170079438.db2.gz TUYJWJYFNSFUMW-UHFFFAOYSA-N -1 1 360.336 0.953 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001719736903 1179846274 /nfs/dbraw/zinc/84/62/74/1179846274.db2.gz ACLFLMLJLDZIAW-BNOWGMLFSA-N -1 1 362.430 0.526 10 0 FCAEMM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C(C)C ZINC001719850193 1186383098 /nfs/dbraw/zinc/38/30/98/1186383098.db2.gz PNUFYNMSPDNKHO-ORIJERBGSA-N -1 1 374.441 0.810 10 0 FCAEMM COCCN1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NN2c2ccccc2)CC1 ZINC000738064824 1188323430 /nfs/dbraw/zinc/32/34/30/1188323430.db2.gz OPWCTSMOWDBCFG-KRWDZBQOSA-N -1 1 374.441 0.887 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000908573666 1195754932 /nfs/dbraw/zinc/75/49/32/1195754932.db2.gz UGBGWAYPMMWNDX-SFHVURJKSA-N -1 1 374.485 0.888 10 0 FCAEMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000911315089 1195937411 /nfs/dbraw/zinc/93/74/11/1195937411.db2.gz JJPQDELAJBGXNE-VVFCZOMOSA-N -1 1 361.442 0.877 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CN(C)CCO3)n[nH]2)cc1C ZINC000151076330 1196392268 /nfs/dbraw/zinc/39/22/68/1196392268.db2.gz LNQREGSCLCWKPP-INIZCTEOSA-N -1 1 357.414 0.785 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000913428613 1196430066 /nfs/dbraw/zinc/43/00/66/1196430066.db2.gz CEHWUYKIQGGYFE-UHFFFAOYSA-N -1 1 357.414 0.814 10 0 FCAEMM COc1ncnc(OC)c1C(=O)[N-]c1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592657665 1196570426 /nfs/dbraw/zinc/57/04/26/1196570426.db2.gz IJMKBQPAJOIEAB-UHFFFAOYSA-N -1 1 364.362 0.679 10 0 FCAEMM C[C@]1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CCCN1C(=O)c1ccccc1 ZINC000735047829 1197829378 /nfs/dbraw/zinc/82/93/78/1197829378.db2.gz FEYFVXUJVMWNOK-KBXCAEBGSA-N -1 1 370.413 0.795 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735218617 1197840502 /nfs/dbraw/zinc/84/05/02/1197840502.db2.gz CHZLITILIXNAQO-CQSZACIVSA-N -1 1 353.382 0.889 10 0 FCAEMM CCOC(Cn1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)nn1)OCC ZINC000735821647 1197890498 /nfs/dbraw/zinc/89/04/98/1197890498.db2.gz SAFIYEWKZSWRSN-UHFFFAOYSA-N -1 1 364.410 0.390 10 0 FCAEMM CCCCNC(=O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000743805375 1198282991 /nfs/dbraw/zinc/28/29/91/1198282991.db2.gz ZCZUCUJVFFGGKP-UHFFFAOYSA-N -1 1 371.441 0.597 10 0 FCAEMM Cc1ccn(-c2ccccc2CNC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000768305099 1200132006 /nfs/dbraw/zinc/13/20/06/1200132006.db2.gz TYQDTKXQNCOPBN-UHFFFAOYSA-N -1 1 353.382 0.737 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)nc1=O ZINC000772360604 1200727506 /nfs/dbraw/zinc/72/75/06/1200727506.db2.gz XOPIKUVSRMAZFP-UPJWGTAASA-N -1 1 358.402 0.779 10 0 FCAEMM COCc1ccc(CNC(=O)COC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000786494063 1200840813 /nfs/dbraw/zinc/84/08/13/1200840813.db2.gz PEHBLGYTEAKYQN-UHFFFAOYSA-N -1 1 374.397 0.868 10 0 FCAEMM C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000790676496 1201100854 /nfs/dbraw/zinc/10/08/54/1201100854.db2.gz RXVSZDOINGYDTP-GOSISDBHSA-N -1 1 358.350 0.099 10 0 FCAEMM COC(=O)C(C)(C)N1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806491708 1202741887 /nfs/dbraw/zinc/74/18/87/1202741887.db2.gz RDRXRGDHYMKRAJ-UHFFFAOYSA-N -1 1 360.418 0.443 10 0 FCAEMM COc1ccccc1CCN(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806887759 1202787924 /nfs/dbraw/zinc/78/79/24/1202787924.db2.gz TWVKAKRIMMDIFV-UHFFFAOYSA-N -1 1 367.409 0.990 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H]3COc4ccc(F)cc4C3)ccnc1-2 ZINC000808968457 1202907647 /nfs/dbraw/zinc/90/76/47/1202907647.db2.gz MMUITMFSZLQQFT-LBPRGKRZSA-N -1 1 369.356 0.539 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1=O ZINC000845263153 1204490212 /nfs/dbraw/zinc/49/02/12/1204490212.db2.gz SIZDSTBHBRSHBW-QLJPJBMISA-N -1 1 368.390 0.035 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001176594887 1206315229 /nfs/dbraw/zinc/31/52/29/1206315229.db2.gz YTNJQFNTQBJFOJ-AWEZNQCLSA-N -1 1 370.417 0.305 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOc2ccccc2[C@H]1CO ZINC001178768582 1206364808 /nfs/dbraw/zinc/36/48/08/1206364808.db2.gz AVFGHEGOFVWJEW-CYBMUJFWSA-N -1 1 357.366 0.472 10 0 FCAEMM CC/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001490079041 1209245395 /nfs/dbraw/zinc/24/53/95/1209245395.db2.gz JVINWCLVCFZORB-XAPDAFRNSA-N -1 1 358.402 0.493 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2n1CCC2 ZINC000851701774 1209517055 /nfs/dbraw/zinc/51/70/55/1209517055.db2.gz IHONOVYGFDNQLZ-LDYMZIIASA-N -1 1 374.319 0.566 10 0 FCAEMM NC(=O)c1ccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852735845 1209561643 /nfs/dbraw/zinc/56/16/43/1209561643.db2.gz JZZNMMKMMQOCBD-NWDGAFQWSA-N -1 1 373.331 0.882 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000855601200 1209675578 /nfs/dbraw/zinc/67/55/78/1209675578.db2.gz ULVZKYIBMUIUKC-HNNXBMFYSA-N -1 1 359.382 0.900 10 0 FCAEMM O=C([N-][C@@H]1CN(C(=O)[C@@H]2CC(=O)N2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000856172404 1209697997 /nfs/dbraw/zinc/69/79/97/1209697997.db2.gz ZUKYBQOJJMIGBA-FRRDWIJNSA-N -1 1 369.343 0.938 10 0 FCAEMM Cn1[n-]c(CN2CCn3c(Cc4cccc(F)c4F)nnc3C2)nc1=O ZINC000857958836 1209771036 /nfs/dbraw/zinc/77/10/36/1209771036.db2.gz LSDUYEFJNKBUGJ-UHFFFAOYSA-N -1 1 361.356 0.585 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCc2nn[n-]n2)C1 ZINC000860838484 1209856585 /nfs/dbraw/zinc/85/65/85/1209856585.db2.gz PZQRWRIBKZBDGK-DYVFJYSZSA-N -1 1 374.401 0.632 10 0 FCAEMM O=C(NC[C@H]1CN2CCN1CCC2)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861550869 1209870963 /nfs/dbraw/zinc/87/09/63/1209870963.db2.gz YGOSVMRTSSEOGT-NSHDSACASA-N -1 1 374.363 0.578 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927941303 1211593767 /nfs/dbraw/zinc/59/37/67/1211593767.db2.gz PLUGJKQLLZSORE-HZPDHXFCSA-N -1 1 361.442 0.994 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927958088 1211594714 /nfs/dbraw/zinc/59/47/14/1211594714.db2.gz DWBVAWWDLSBNNX-CVEARBPZSA-N -1 1 361.442 0.946 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000749986263 1219834555 /nfs/dbraw/zinc/83/45/55/1219834555.db2.gz VFGMVNTZCUIXDV-BDJLRTHQSA-N -1 1 366.422 0.747 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001491472431 1220142447 /nfs/dbraw/zinc/14/24/47/1220142447.db2.gz LVQKQGFXSBOXMT-NXEZZACHSA-N -1 1 352.391 0.425 10 0 FCAEMM CC(=O)c1ccc2c(c1)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2 ZINC000756074490 1220153143 /nfs/dbraw/zinc/15/31/43/1220153143.db2.gz NCMSBBKWUMGSJN-UHFFFAOYSA-N -1 1 355.394 0.757 10 0 FCAEMM COc1ccccc1N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000757063042 1220169407 /nfs/dbraw/zinc/16/94/07/1220169407.db2.gz JIFRWLQWXLFMJD-ZDUSSCGKSA-N -1 1 358.398 0.330 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C(=O)[O-])cn2)CC1 ZINC000780432018 1221024770 /nfs/dbraw/zinc/02/47/70/1221024770.db2.gz JAYNNYVIYQDTSW-OAHLLOKOSA-N -1 1 361.446 0.982 10 0 FCAEMM CC(C)[C@@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N1CCN(C)CC1 ZINC001118546350 1221799405 /nfs/dbraw/zinc/79/94/05/1221799405.db2.gz SGBPCGCKIWGVIY-IIDMSEBBSA-N -1 1 368.478 0.001 10 0 FCAEMM Cc1nn(C)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001119543282 1221930431 /nfs/dbraw/zinc/93/04/31/1221930431.db2.gz GJHSVIMVPRASNC-UHFFFAOYSA-N -1 1 360.418 0.940 10 0 FCAEMM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001137576360 1222397883 /nfs/dbraw/zinc/39/78/83/1222397883.db2.gz QHIPULBFDALDTD-GFCCVEGCSA-N -1 1 362.390 0.363 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cccc(C(=O)NCc2ccc([O-])nn2)c1=O ZINC001141292727 1222646840 /nfs/dbraw/zinc/64/68/40/1222646840.db2.gz PPPUUDGSNYJKSB-UHFFFAOYSA-N -1 1 360.370 0.616 10 0 FCAEMM CCCCN(C)C(=O)C1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1 ZINC001516002311 1265532729 /nfs/dbraw/zinc/53/27/29/1265532729.db2.gz HUXBCEDSMIYIHF-UHFFFAOYSA-N -1 1 363.422 0.633 10 0 FCAEMM C[C@H]1CN(C)C(=O)CN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001519586433 1265736116 /nfs/dbraw/zinc/73/61/16/1265736116.db2.gz GBPGMXAASYCBLJ-QMMMGPOBSA-N -1 1 350.814 0.794 10 0 FCAEMM CC(C)Cc1nnc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)s1 ZINC001521453007 1266122882 /nfs/dbraw/zinc/12/28/82/1266122882.db2.gz JWUYETOAEGLRHG-UHFFFAOYSA-N -1 1 370.460 0.820 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC001331356397 1266198846 /nfs/dbraw/zinc/19/88/46/1266198846.db2.gz KLKBJGYRFLMNMD-VIFPVBQESA-N -1 1 374.279 0.185 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCOC1(C)C ZINC001129128348 1259323486 /nfs/dbraw/zinc/32/34/86/1259323486.db2.gz HEFFLFJDJASJEV-AWEZNQCLSA-N -1 1 364.446 0.944 10 0 FCAEMM CCn1cc(CNC(=O)NCCc2c(F)cc([O-])cc2F)c(=O)[nH]c1=O ZINC001251240315 1259741932 /nfs/dbraw/zinc/74/19/32/1259741932.db2.gz BXATVPLZCJIEPA-UHFFFAOYSA-N -1 1 368.340 0.995 10 0 FCAEMM CCCN1C[C@@H](CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001252034751 1259776051 /nfs/dbraw/zinc/77/60/51/1259776051.db2.gz GCQRLMJMMWGLNF-LLVKDONJSA-N -1 1 363.418 0.313 10 0 FCAEMM CC(=O)NC[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254488228 1259886670 /nfs/dbraw/zinc/88/66/70/1259886670.db2.gz HOHXKIWPMQVDNT-LBPRGKRZSA-N -1 1 363.418 0.313 10 0 FCAEMM CC(=O)NC[C@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254496594 1259888570 /nfs/dbraw/zinc/88/85/70/1259888570.db2.gz FMFHYUXCTFDOEW-GFCCVEGCSA-N -1 1 363.418 0.455 10 0 FCAEMM CC(=O)N1CCC(NC(=O)C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001336080111 1259979312 /nfs/dbraw/zinc/97/93/12/1259979312.db2.gz CSHBMWGYOOJBIH-UHFFFAOYSA-N -1 1 353.806 0.789 10 0 FCAEMM COCCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001281957730 1261308076 /nfs/dbraw/zinc/30/80/76/1261308076.db2.gz ORPLVOSYAIXRAG-MGPQQGTHSA-N -1 1 363.414 0.512 10 0 FCAEMM CCC(CC)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001282324921 1261412507 /nfs/dbraw/zinc/41/25/07/1261412507.db2.gz TVDJPLILVKLEKG-OCCSQVGLSA-N -1 1 364.446 0.469 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCS(=O)(=O)[C@H](C)C1 ZINC001472045554 1261428825 /nfs/dbraw/zinc/42/88/25/1261428825.db2.gz OHMWMJBHEDTKGL-SKDRFNHKSA-N -1 1 366.443 0.676 10 0 FCAEMM O=C(Nc1ccc([O-])c(C(=O)NC[C@@H](O)CO)c1)OCC(F)(F)F ZINC001472221149 1261451779 /nfs/dbraw/zinc/45/17/79/1261451779.db2.gz FBWAUVBJBMYQIH-MRVPVSSYSA-N -1 1 352.265 0.586 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2ccnc3c2nnn3C)[n-]c1=O ZINC001472258802 1261455499 /nfs/dbraw/zinc/45/54/99/1261455499.db2.gz QHELNAHSRPQWPU-JTQLQIEISA-N -1 1 355.358 0.845 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001472381814 1261461610 /nfs/dbraw/zinc/46/16/10/1261461610.db2.gz COORLJRGVKOMKV-KWQFWETISA-N -1 1 367.353 0.100 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1CCNC(=O)C1CC1 ZINC001282515315 1261497632 /nfs/dbraw/zinc/49/76/32/1261497632.db2.gz GVBJCFWWQDBLMO-ZYHUDNBSSA-N -1 1 358.402 0.042 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001282553448 1261524869 /nfs/dbraw/zinc/52/48/69/1261524869.db2.gz JMYPYDOMUAULRZ-UPJWGTAASA-N -1 1 360.414 0.280 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cn1cncn1 ZINC001282565876 1261534438 /nfs/dbraw/zinc/53/44/38/1261534438.db2.gz UCUFUTZQAGIHKX-CHWSQXEVSA-N -1 1 358.402 0.293 10 0 FCAEMM CC(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282705982 1261591083 /nfs/dbraw/zinc/59/10/83/1261591083.db2.gz DMXSSYQBSSDOSL-WZRBSPASSA-N -1 1 358.402 0.325 10 0 FCAEMM CCNC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001282722461 1261598806 /nfs/dbraw/zinc/59/88/06/1261598806.db2.gz RCORRXUVBCOCSE-MCIONIFRSA-N -1 1 374.441 0.955 10 0 FCAEMM CCN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001284619917 1261771246 /nfs/dbraw/zinc/77/12/46/1261771246.db2.gz IWILSLVJGWQFHK-NWDGAFQWSA-N -1 1 358.402 0.042 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001285380204 1261836937 /nfs/dbraw/zinc/83/69/37/1261836937.db2.gz GFDZDPPGAQQLPQ-ZIAGYGMSSA-N -1 1 364.446 0.280 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001291600408 1262564513 /nfs/dbraw/zinc/56/45/13/1262564513.db2.gz ZEKCWXXWIRFOQO-MBNYWOFBSA-N -1 1 362.430 0.526 10 0 FCAEMM CCCNC(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001292080663 1262641390 /nfs/dbraw/zinc/64/13/90/1262641390.db2.gz XDYDCZKPIORBOB-MCIONIFRSA-N -1 1 374.441 0.955 10 0 FCAEMM O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnc(C2CC2)[n-]c1=O ZINC001293327784 1262714759 /nfs/dbraw/zinc/71/47/59/1262714759.db2.gz SHJIKWYMAYJXGH-BZPMIXESSA-N -1 1 360.414 0.863 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001296691431 1262830352 /nfs/dbraw/zinc/83/03/52/1262830352.db2.gz WIOSVLCHNXIJLF-DTRQGZQOSA-N -1 1 372.410 0.861 10 0 FCAEMM COCCN1CCC[C@@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001299737685 1262977781 /nfs/dbraw/zinc/97/77/81/1262977781.db2.gz YIORJXUUKAGFSW-CYBMUJFWSA-N -1 1 361.402 0.107 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001302116134 1263032400 /nfs/dbraw/zinc/03/24/00/1263032400.db2.gz LCNDCYKSXXOIIF-CYBMUJFWSA-N -1 1 360.414 0.521 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1Cc2cccc(O)c2C1 ZINC001478433513 1263132749 /nfs/dbraw/zinc/13/27/49/1263132749.db2.gz PWEAICIFDXSGGY-NSHDSACASA-N -1 1 356.382 0.927 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CO)CC1CCCC1 ZINC001479155876 1263173117 /nfs/dbraw/zinc/17/31/17/1263173117.db2.gz DROUTFMOOFJTDL-GFCCVEGCSA-N -1 1 350.419 0.995 10 0 FCAEMM C[C@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC[C@@H]1O ZINC001479158026 1263173882 /nfs/dbraw/zinc/17/38/82/1263173882.db2.gz QTUZZMJCBZFHEL-SUMWQHHRSA-N -1 1 350.419 0.995 10 0 FCAEMM CN(Cc1nnc2ccccn21)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479157920 1263174250 /nfs/dbraw/zinc/17/42/50/1263174250.db2.gz PUFSSEROIZTSBK-UHFFFAOYSA-N -1 1 369.385 0.639 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001491754963 1263621206 /nfs/dbraw/zinc/62/12/06/1263621206.db2.gz PXFJLUIDBWFHEA-NXEZZACHSA-N -1 1 352.391 0.569 10 0 FCAEMM CN(CCCNC(=O)[C@]12C[C@H]1CCC2)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001492463266 1263659414 /nfs/dbraw/zinc/65/94/14/1263659414.db2.gz BNFQCBCKWCZGKN-PIGZYNQJSA-N -1 1 358.402 0.186 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001500637337 1264076690 /nfs/dbraw/zinc/07/66/90/1264076690.db2.gz UDGXGIOWHTZBTO-UPJWGTAASA-N -1 1 360.414 0.410 10 0 FCAEMM Cn1[n-]c(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)nc1=O ZINC001506096355 1264291834 /nfs/dbraw/zinc/29/18/34/1264291834.db2.gz KXYIMDLSGOOGAH-QWHCGFSZSA-N -1 1 365.478 0.234 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001511662008 1264573513 /nfs/dbraw/zinc/57/35/13/1264573513.db2.gz YFEAEDDWGKFYGW-GUTXKFCHSA-N -1 1 365.430 0.494 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1cnn(C)n1 ZINC001324914994 1264734758 /nfs/dbraw/zinc/73/47/58/1264734758.db2.gz OWJSTUCPODXTHO-UHFFFAOYSA-N -1 1 353.386 0.930 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCC(C)C)C1 ZINC001513126723 1264926535 /nfs/dbraw/zinc/92/65/35/1264926535.db2.gz KPQKFUVCFGIDCW-GHMZBOCLSA-N -1 1 366.418 0.909 10 0 FCAEMM CN(c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCCCO1)[C@H]1CCSC1 ZINC001526379100 1266806350 /nfs/dbraw/zinc/80/63/50/1266806350.db2.gz TYDAFYBYVRVVSY-QWRGUYRKSA-N -1 1 350.452 0.969 10 0 FCAEMM CN(c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCCCO1)[C@H]1CCSC1 ZINC001526379100 1266806361 /nfs/dbraw/zinc/80/63/61/1266806361.db2.gz TYDAFYBYVRVVSY-QWRGUYRKSA-N -1 1 350.452 0.969 10 0 FCAEMM O=c1[n-]c(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2CC2)no1 ZINC001527238246 1266878981 /nfs/dbraw/zinc/87/89/81/1266878981.db2.gz LZLPPGIEFORREO-UHFFFAOYSA-N -1 1 373.339 0.716 10 0 FCAEMM O=C1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CCN1C1CC1 ZINC001527810074 1266925474 /nfs/dbraw/zinc/92/54/74/1266925474.db2.gz DUPPAQXQXFNDSL-UHFFFAOYSA-N -1 1 362.825 0.938 10 0 FCAEMM CC(=O)N(CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)c1ccccc1 ZINC001334290063 1266929377 /nfs/dbraw/zinc/92/93/77/1266929377.db2.gz LXOHCNQHDZDYAF-UHFFFAOYSA-N -1 1 367.471 0.970 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)o1 ZINC001531044778 1267123895 /nfs/dbraw/zinc/12/38/95/1267123895.db2.gz HJUZSIWBVNBEJG-UWVGGRQHSA-N -1 1 356.400 0.601 10 0 FCAEMM CN1CCN(c2ccc(NC(=O)c3cccn(CC(=O)[O-])c3=O)cc2)CC1 ZINC001334794945 1267180717 /nfs/dbraw/zinc/18/07/17/1267180717.db2.gz XEKVUIHIMAKRQO-UHFFFAOYSA-N -1 1 370.409 0.937 10 0 FCAEMM Nc1nc(CN2CCN(C(=O)CCc3nn[n-]n3)CC2)nc2ccccc12 ZINC001540188831 1267442037 /nfs/dbraw/zinc/44/20/37/1267442037.db2.gz XVNHERMCTOLYLK-UHFFFAOYSA-N -1 1 367.417 0.002 10 0 FCAEMM CCOC(=O)[C@H]1CSCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001540321422 1267444972 /nfs/dbraw/zinc/44/49/72/1267444972.db2.gz LORPFXQQXTYNAY-SNVBAGLBSA-N -1 1 353.400 0.024 10 0 FCAEMM COc1ccnc(N2CCN(C(=O)c3c(C)[nH]c(=O)[n-]c3=S)CC2)n1 ZINC001544771817 1267591317 /nfs/dbraw/zinc/59/13/17/1267591317.db2.gz DBTAIYOORUODLH-UHFFFAOYSA-N -1 1 362.415 0.540 10 0 FCAEMM CCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1nn[n-]n1 ZINC001545275390 1267610242 /nfs/dbraw/zinc/61/02/42/1267610242.db2.gz IVAONEBFYJNZKI-JTQLQIEISA-N -1 1 354.411 0.841 10 0 FCAEMM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cnncc2[O-])C1=O ZINC001545332025 1267611918 /nfs/dbraw/zinc/61/19/18/1267611918.db2.gz XFAGDTBYBGPALI-SNVBAGLBSA-N -1 1 362.367 0.566 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001546050202 1267634270 /nfs/dbraw/zinc/63/42/70/1267634270.db2.gz QEZWOWGZTDTUOJ-JTQLQIEISA-N -1 1 352.416 0.289 10 0 FCAEMM Cc1ncc(Br)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)n1 ZINC001338988057 1268140162 /nfs/dbraw/zinc/14/01/62/1268140162.db2.gz KLBGJZSEQFFTMB-UHFFFAOYSA-N -1 1 361.181 0.321 10 0 FCAEMM Cc1ncc(Br)c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001338988057 1268140166 /nfs/dbraw/zinc/14/01/66/1268140166.db2.gz KLBGJZSEQFFTMB-UHFFFAOYSA-N -1 1 361.181 0.321 10 0 FCAEMM O=C(CC1CS(=O)(=O)C1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001556125728 1268816969 /nfs/dbraw/zinc/81/69/69/1268816969.db2.gz AMIHWZHMNPLRDC-LBPRGKRZSA-N -1 1 373.797 0.633 10 0 FCAEMM O=C(c1cnc(F)c(Br)c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348780 1268847647 /nfs/dbraw/zinc/84/76/47/1268847647.db2.gz ZVEDHAIUMHCSMJ-UHFFFAOYSA-N -1 1 371.170 0.620 10 0 FCAEMM O=C(CSc1n[nH]c(=O)[n-]1)N1CCc2nc[nH]c2C12CCOCC2 ZINC001557204949 1268934345 /nfs/dbraw/zinc/93/43/45/1268934345.db2.gz QEJLFOHHFFHYKA-UHFFFAOYSA-N -1 1 350.404 0.416 10 0 FCAEMM CO[C@@](C)(C(=O)N[C@@H](CCSC)c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001557589054 1268956000 /nfs/dbraw/zinc/95/60/00/1268956000.db2.gz GZAJHMHGQMDJQN-XPTSAGLGSA-N -1 1 359.452 0.857 10 0 FCAEMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001557702558 1268968424 /nfs/dbraw/zinc/96/84/24/1268968424.db2.gz CSOJSYXVORFGBE-UHFFFAOYSA-N -1 1 356.338 0.467 10 0 FCAEMM COC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1=O ZINC001557739678 1268973035 /nfs/dbraw/zinc/97/30/35/1268973035.db2.gz QYYUZLRNINNVBI-AWEZNQCLSA-N -1 1 372.381 0.928 10 0 FCAEMM O=C(CC[C@@H]1NC(=O)NC1=O)Nc1[nH]nc2cnc(Br)cc21 ZINC001557876248 1268982848 /nfs/dbraw/zinc/98/28/48/1268982848.db2.gz AEFHQAQXLLPNKR-LURJTMIESA-N -1 1 367.163 0.647 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001557995848 1269000575 /nfs/dbraw/zinc/00/05/75/1269000575.db2.gz FFWKMNFRFCSJQZ-MRXNPFEDSA-N -1 1 350.375 0.565 10 0 FCAEMM O=C(CN1C(=O)COc2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558050896 1269014778 /nfs/dbraw/zinc/01/47/78/1269014778.db2.gz ZUOQSYFZOITUGF-UHFFFAOYSA-N -1 1 370.365 0.297 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001558339664 1269067176 /nfs/dbraw/zinc/06/71/76/1269067176.db2.gz JNUWKMFYFMOWLY-GHMZBOCLSA-N -1 1 354.411 0.697 10 0 FCAEMM COC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nn[n-]n1 ZINC001558339570 1269067631 /nfs/dbraw/zinc/06/76/31/1269067631.db2.gz GZUQQCQIXZXMCN-GWCFXTLKSA-N -1 1 362.365 0.504 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001558605493 1269121519 /nfs/dbraw/zinc/12/15/19/1269121519.db2.gz SSPQAQPGRXIGPS-LLVKDONJSA-N -1 1 371.459 0.674 10 0 FCAEMM COCc1nnc2n1CCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)C2 ZINC001559974516 1269183145 /nfs/dbraw/zinc/18/31/45/1269183145.db2.gz YKSPGIOREIWFCQ-UHFFFAOYSA-N -1 1 359.386 0.205 10 0 FCAEMM CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001564553152 1269423626 /nfs/dbraw/zinc/42/36/26/1269423626.db2.gz LAIVWNAEVQNADX-UHFFFAOYSA-N -1 1 364.855 0.677 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnn(CCC(F)(F)F)c2)n1 ZINC001342300142 1269425097 /nfs/dbraw/zinc/42/50/97/1269425097.db2.gz LRMZCXBBOQWXLR-UHFFFAOYSA-N -1 1 352.298 0.609 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(CCC(F)(F)F)c2)[n-]1 ZINC001342300142 1269425098 /nfs/dbraw/zinc/42/50/98/1269425098.db2.gz LRMZCXBBOQWXLR-UHFFFAOYSA-N -1 1 352.298 0.609 10 0 FCAEMM CC(C)(C)N1CC[C@@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1=O ZINC001564978857 1269447422 /nfs/dbraw/zinc/44/74/22/1269447422.db2.gz DBICZXFDTXYTCM-GFCCVEGCSA-N -1 1 363.418 0.454 10 0 FCAEMM COC[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCOC1 ZINC001565246955 1269459232 /nfs/dbraw/zinc/45/92/32/1269459232.db2.gz ANTMHPIUNOOBPB-BXUZGUMPSA-N -1 1 366.418 0.496 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N(CCO)Cc1ccccc1 ZINC001565247952 1269459313 /nfs/dbraw/zinc/45/93/13/1269459313.db2.gz LSWJGWKBQYDHQV-UHFFFAOYSA-N -1 1 358.398 0.959 10 0 FCAEMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248615 1269459451 /nfs/dbraw/zinc/45/94/51/1269459451.db2.gz ZNWXYWDEMGHCJU-ZJUUUORDSA-N -1 1 372.447 0.218 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1Cc1ccns1 ZINC001566107278 1269608168 /nfs/dbraw/zinc/60/81/68/1269608168.db2.gz ZSWYCSPQVCDZQY-YPMHNXCESA-N -1 1 363.443 0.162 10 0 FCAEMM CCC[C@H](NC(=O)c1c[nH]nc1I)c1nn[n-]n1 ZINC001566227289 1269624655 /nfs/dbraw/zinc/62/46/55/1269624655.db2.gz UADZHDCXUDVYMW-LURJTMIESA-N -1 1 361.147 0.799 10 0 FCAEMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001566993695 1269673239 /nfs/dbraw/zinc/67/32/39/1269673239.db2.gz XSQPOTDZXFXMME-LBPRGKRZSA-N -1 1 369.418 0.180 10 0 FCAEMM C[C@H](CN(C)C(=O)c1c[nH]nc1I)c1nn[n-]n1 ZINC001567309945 1269687696 /nfs/dbraw/zinc/68/76/96/1269687696.db2.gz OYHTVLFSRWNJHX-RXMQYKEDSA-N -1 1 361.147 0.403 10 0 FCAEMM COC(=O)C(C)(C)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001567863472 1269711662 /nfs/dbraw/zinc/71/16/62/1269711662.db2.gz ZTOODUIPURHPAN-UHFFFAOYSA-N -1 1 354.432 0.614 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001570204690 1269848009 /nfs/dbraw/zinc/84/80/09/1269848009.db2.gz AKOUEBCULSKNAX-GHMZBOCLSA-N -1 1 368.440 0.046 10 0 FCAEMM CSc1nc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc(=O)[n-]1 ZINC001570806839 1269916188 /nfs/dbraw/zinc/91/61/88/1269916188.db2.gz ZSTRHZKDGZHCGP-SFYZADRCSA-N -1 1 364.349 0.977 10 0 FCAEMM O=C(CO[C@@H]1CCOC1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344275598 1270126670 /nfs/dbraw/zinc/12/66/70/1270126670.db2.gz REUDJHJPJNTJCS-BFHYXJOUSA-N -1 1 363.414 0.607 10 0 FCAEMM C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001572999985 1270480057 /nfs/dbraw/zinc/48/00/57/1270480057.db2.gz KIVFCCKSWAOFQX-UNEWFSDZSA-N -1 1 369.421 0.968 10 0 FCAEMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001713600995 1287287217 /nfs/dbraw/zinc/28/72/17/1287287217.db2.gz GTNSNRCSDLXPDX-HUUCEWRRSA-N -1 1 361.402 0.215 10 0 FCAEMM CCCN(C(=O)[C@@H]1CCO[C@H]1CC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001713718464 1287291909 /nfs/dbraw/zinc/29/19/09/1287291909.db2.gz IDDSHHNGIUUUBK-KFWWJZLASA-N -1 1 365.478 0.736 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)CN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001716021364 1287368264 /nfs/dbraw/zinc/36/82/64/1287368264.db2.gz FNXSNRSBVOIYIU-XNJGSVPQSA-N -1 1 361.446 0.774 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001718596178 1287526466 /nfs/dbraw/zinc/52/64/66/1287526466.db2.gz YSLNJOWVDHHXJR-KWCYVHTRSA-N -1 1 357.414 0.901 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001583975368 1282127246 /nfs/dbraw/zinc/12/72/46/1282127246.db2.gz SXIZPUDOOLZDMW-MGPQQGTHSA-N -1 1 364.446 0.230 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)n[n-]1 ZINC001584176185 1282140951 /nfs/dbraw/zinc/14/09/51/1282140951.db2.gz LJSXLQSVSRJOPQ-IUCAKERBSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)[n-]1 ZINC001584176185 1282140953 /nfs/dbraw/zinc/14/09/53/1282140953.db2.gz LJSXLQSVSRJOPQ-IUCAKERBSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](OC)C(=O)OC(C)(C)C)n1 ZINC001584176185 1282140958 /nfs/dbraw/zinc/14/09/58/1282140958.db2.gz LJSXLQSVSRJOPQ-IUCAKERBSA-N -1 1 356.379 0.515 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)n[n-]1 ZINC001584176947 1282140966 /nfs/dbraw/zinc/14/09/66/1282140966.db2.gz ZIRHYTZEGFYNFN-GXFFZTMASA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)[n-]1 ZINC001584176947 1282140970 /nfs/dbraw/zinc/14/09/70/1282140970.db2.gz ZIRHYTZEGFYNFN-GXFFZTMASA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)n1 ZINC001584176947 1282140972 /nfs/dbraw/zinc/14/09/72/1282140972.db2.gz ZIRHYTZEGFYNFN-GXFFZTMASA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)n[n-]1 ZINC001584176365 1282141347 /nfs/dbraw/zinc/14/13/47/1282141347.db2.gz MCZNNIWIUSDAIC-VIFPVBQESA-N -1 1 358.420 0.516 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)[n-]1 ZINC001584176365 1282141348 /nfs/dbraw/zinc/14/13/48/1282141348.db2.gz MCZNNIWIUSDAIC-VIFPVBQESA-N -1 1 358.420 0.516 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2(S(C)(=O)=O)CCCC2)n1 ZINC001584176365 1282141351 /nfs/dbraw/zinc/14/13/51/1282141351.db2.gz MCZNNIWIUSDAIC-VIFPVBQESA-N -1 1 358.420 0.516 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)n[n-]1 ZINC001632567107 1282186567 /nfs/dbraw/zinc/18/65/67/1282186567.db2.gz BYZZZZNVDUERON-ZETCQYMHSA-N -1 1 372.428 0.937 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)[n-]1 ZINC001632567107 1282186570 /nfs/dbraw/zinc/18/65/70/1282186570.db2.gz BYZZZZNVDUERON-ZETCQYMHSA-N -1 1 372.428 0.937 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(S(C)(=O)=O)s2)n1 ZINC001632567107 1282186572 /nfs/dbraw/zinc/18/65/72/1282186572.db2.gz BYZZZZNVDUERON-ZETCQYMHSA-N -1 1 372.428 0.937 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(=O)N(C)OCC(F)(F)F ZINC001585080995 1282197944 /nfs/dbraw/zinc/19/79/44/1282197944.db2.gz KLRSIEUNYNAKHY-UHFFFAOYSA-N -1 1 354.310 0.461 10 0 FCAEMM Nc1cc(F)c(Br)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183639 1282209518 /nfs/dbraw/zinc/20/95/18/1282209518.db2.gz RFOBTWBLPYUNSU-JTQLQIEISA-N -1 1 371.170 0.897 10 0 FCAEMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 ZINC001633103924 1282228086 /nfs/dbraw/zinc/22/80/86/1282228086.db2.gz LWZWIXOBCWRABA-UHFFFAOYSA-N -1 1 369.321 0.435 10 0 FCAEMM CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2c[n-]ncc2=O)c1 ZINC001633753623 1282271580 /nfs/dbraw/zinc/27/15/80/1282271580.db2.gz KPXBESVMEJXPTN-UHFFFAOYSA-N -1 1 365.415 0.274 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)n[n-]1 ZINC001634277021 1282314452 /nfs/dbraw/zinc/31/44/52/1282314452.db2.gz OMTACOSWXUHZGR-MNOVXSKESA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)[n-]1 ZINC001634277021 1282314463 /nfs/dbraw/zinc/31/44/63/1282314463.db2.gz OMTACOSWXUHZGR-MNOVXSKESA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CCCNC2=O)n1 ZINC001634277021 1282314468 /nfs/dbraw/zinc/31/44/68/1282314468.db2.gz OMTACOSWXUHZGR-MNOVXSKESA-N -1 1 351.407 0.711 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)c1nn[n-]n1 ZINC001634622371 1282338907 /nfs/dbraw/zinc/33/89/07/1282338907.db2.gz PXIMGSGJRLFIKE-ZDUSSCGKSA-N -1 1 360.418 0.980 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cccc4c3NC(=O)CO4)nc2n1 ZINC001587192581 1282340891 /nfs/dbraw/zinc/34/08/91/1282340891.db2.gz PRGFIRQIOHAEMG-UHFFFAOYSA-N -1 1 368.353 0.953 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N(C)c2nn[n-]n2)CCOCC1 ZINC001587343501 1282349161 /nfs/dbraw/zinc/34/91/61/1282349161.db2.gz HPSSPXMKKYIRLI-SNVBAGLBSA-N -1 1 354.411 0.873 10 0 FCAEMM COc1ccccc1C(F)(F)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635008851 1282372921 /nfs/dbraw/zinc/37/29/21/1282372921.db2.gz YVDMDCWIBDCHDG-UHFFFAOYSA-N -1 1 353.329 0.810 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCc3nn[n-]n3)C2=O)c1 ZINC001587698911 1282373462 /nfs/dbraw/zinc/37/34/62/1282373462.db2.gz PHXQRZBBLCGDLL-CYBMUJFWSA-N -1 1 360.374 0.071 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001635086589 1282377969 /nfs/dbraw/zinc/37/79/69/1282377969.db2.gz RGJHCOCMTRNFIH-GLEZIHRCSA-N -1 1 365.415 0.230 10 0 FCAEMM O=C(Cn1nnnc1-c1ccccc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001635297791 1282393822 /nfs/dbraw/zinc/39/38/22/1282393822.db2.gz QJUANBMGFRZBRV-UHFFFAOYSA-N -1 1 355.358 0.835 10 0 FCAEMM CC[C@]1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCNC1=O ZINC001588163271 1282406534 /nfs/dbraw/zinc/40/65/34/1282406534.db2.gz RGECRBWIKURMDN-HNNXBMFYSA-N -1 1 355.416 0.922 10 0 FCAEMM C[C@@H](Sc1nc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)cs1)C(N)=O ZINC001588221654 1282409109 /nfs/dbraw/zinc/40/91/09/1282409109.db2.gz OWXJLUZMVAKKER-SFYZADRCSA-N -1 1 367.460 0.181 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCc3nn[n-]n3)C2)c1 ZINC001636217172 1282472224 /nfs/dbraw/zinc/47/22/24/1282472224.db2.gz XJECIRZJGWASGD-GFCCVEGCSA-N -1 1 360.418 0.792 10 0 FCAEMM COC(=O)N[C@@H](CC(C)C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322357 1282487010 /nfs/dbraw/zinc/48/70/10/1282487010.db2.gz PZSQWVVPYXTCCC-LBPRGKRZSA-N -1 1 352.391 0.642 10 0 FCAEMM O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322478 1282487163 /nfs/dbraw/zinc/48/71/63/1282487163.db2.gz RVGAQWCAJOFDEN-SNVBAGLBSA-N -1 1 355.416 0.086 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2c(c1)C(=O)NCCO2 ZINC001636326756 1282487307 /nfs/dbraw/zinc/48/73/07/1282487307.db2.gz CRLATKCXQOBFEX-UHFFFAOYSA-N -1 1 370.365 0.307 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001636420104 1282499902 /nfs/dbraw/zinc/49/99/02/1282499902.db2.gz MJWLKCHWXYMOOQ-UWVGGRQHSA-N -1 1 368.356 0.637 10 0 FCAEMM CCO[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C1CCOCC1 ZINC001637110645 1282563870 /nfs/dbraw/zinc/56/38/70/1282563870.db2.gz IYVPUOUWOQYIJT-CQSZACIVSA-N -1 1 358.416 0.810 10 0 FCAEMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCC(=O)N1 ZINC001637134911 1282566359 /nfs/dbraw/zinc/56/63/59/1282566359.db2.gz MOJOKLWWSQOROJ-BXKDBHETSA-N -1 1 367.427 0.686 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCNC(=O)[C@@H]1c1ccccc1F ZINC001637141336 1282567570 /nfs/dbraw/zinc/56/75/70/1282567570.db2.gz MKPSTCSFFPWIEQ-INIZCTEOSA-N -1 1 372.356 0.356 10 0 FCAEMM O=C(c1cnncc1[O-])N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001637574557 1282606723 /nfs/dbraw/zinc/60/67/23/1282606723.db2.gz JYDJXLFHMKIFDV-PELKAZGASA-N -1 1 365.333 0.764 10 0 FCAEMM CN1C(=O)N=NC1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001637908543 1282638923 /nfs/dbraw/zinc/63/89/23/1282638923.db2.gz ZXYKHLGWEBHSGV-QMMMGPOBSA-N -1 1 364.328 0.121 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@H]1CCC2(CCOCC2)CO1 ZINC001637938807 1282644469 /nfs/dbraw/zinc/64/44/69/1282644469.db2.gz HEJDUGOLEYAQAL-CQSZACIVSA-N -1 1 365.430 0.409 10 0 FCAEMM CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)CCc1nn[n-]n1 ZINC001637995853 1282650265 /nfs/dbraw/zinc/65/02/65/1282650265.db2.gz ZPWYRMOXGZKKBK-QMMMGPOBSA-N -1 1 358.328 0.822 10 0 FCAEMM CN(CCCn1cnc2c1ncnc2N)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001638329603 1282685274 /nfs/dbraw/zinc/68/52/74/1282685274.db2.gz RXXMCXOYVCGRFB-UHFFFAOYSA-N -1 1 368.401 0.944 10 0 FCAEMM O=C(CCc1nn[n-]n1)NN1C(=O)c2ccc(Br)cc2C1=O ZINC001639183638 1282756645 /nfs/dbraw/zinc/75/66/45/1282756645.db2.gz HZEPTJSKWRYSCT-UHFFFAOYSA-N -1 1 365.147 0.222 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)[n-]c1=O ZINC001640132129 1282841064 /nfs/dbraw/zinc/84/10/64/1282841064.db2.gz HEVWTNMJJCDESC-JTQLQIEISA-N -1 1 363.374 0.186 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)[n-]c1=O ZINC001640132130 1282841368 /nfs/dbraw/zinc/84/13/68/1282841368.db2.gz HEVWTNMJJCDESC-SNVBAGLBSA-N -1 1 363.374 0.186 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccnc2OCCOC)n[n-]1 ZINC001640226152 1282848410 /nfs/dbraw/zinc/84/84/10/1282848410.db2.gz YJRWHRQMSXEODA-JTQLQIEISA-N -1 1 363.374 0.893 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccnc2OCCOC)[n-]1 ZINC001640226152 1282848421 /nfs/dbraw/zinc/84/84/21/1282848421.db2.gz YJRWHRQMSXEODA-JTQLQIEISA-N -1 1 363.374 0.893 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccnc2OCCOC)n1 ZINC001640226152 1282848428 /nfs/dbraw/zinc/84/84/28/1282848428.db2.gz YJRWHRQMSXEODA-JTQLQIEISA-N -1 1 363.374 0.893 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NN1CC(=O)[N-]C1=O)C2 ZINC001641141304 1282926506 /nfs/dbraw/zinc/92/65/06/1282926506.db2.gz DQYOQOFQCKCGKY-UHFFFAOYSA-N -1 1 352.391 0.749 10 0 FCAEMM CS(=O)(=O)C[C@H](O)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001641894909 1282980349 /nfs/dbraw/zinc/98/03/49/1282980349.db2.gz LHMKXHNKPHOGDB-SECBINFHSA-N -1 1 358.803 0.729 10 0 FCAEMM COCc1nc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cs1 ZINC001681624537 1283501123 /nfs/dbraw/zinc/50/11/23/1283501123.db2.gz VAAPVIAJQCJWOQ-UHFFFAOYSA-N -1 1 365.415 0.857 10 0 FCAEMM C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001682826137 1283784357 /nfs/dbraw/zinc/78/43/57/1283784357.db2.gz VDVHPGHFEKIXLS-DGCLKSJQSA-N -1 1 360.414 0.232 10 0 FCAEMM COCCCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001683195104 1283891198 /nfs/dbraw/zinc/89/11/98/1283891198.db2.gz MMJPBFDQUYHWLF-TZMCWYRMSA-N -1 1 351.403 0.560 10 0 FCAEMM CC1(C)C[C@@H](O)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001683595470 1284052653 /nfs/dbraw/zinc/05/26/53/1284052653.db2.gz YRTATGLMTLHNAO-NSHDSACASA-N -1 1 350.419 0.947 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001683595262 1284053717 /nfs/dbraw/zinc/05/37/17/1284053717.db2.gz WMBREGCULSQDPY-ZIAGYGMSSA-N -1 1 364.402 0.344 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001684377692 1284168719 /nfs/dbraw/zinc/16/87/19/1284168719.db2.gz NSALDUBACCRWCH-FRRDWIJNSA-N -1 1 362.430 0.717 10 0 FCAEMM CCOCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001702810780 1285903946 /nfs/dbraw/zinc/90/39/46/1285903946.db2.gz JUESCJCKOHPCKM-ZIAGYGMSSA-N -1 1 365.430 0.665 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702834528 1285927293 /nfs/dbraw/zinc/92/72/93/1285927293.db2.gz AAHQVKLUGGKJGB-UMVBOHGHSA-N -1 1 363.414 0.417 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)CCNC(N)=O ZINC001702839338 1285932268 /nfs/dbraw/zinc/93/22/68/1285932268.db2.gz PCOKMCOPJSHCPD-VXGBXAGGSA-N -1 1 363.418 0.060 10 0 FCAEMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001703569703 1286119057 /nfs/dbraw/zinc/11/90/57/1286119057.db2.gz RCKKHSXODFHJGQ-CHWSQXEVSA-N -1 1 357.414 0.903 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001703848391 1286153688 /nfs/dbraw/zinc/15/36/88/1286153688.db2.gz RDDAROIYBHBKNY-FBIMIBRVSA-N -1 1 364.402 0.567 10 0 FCAEMM Cc1cccc2c(=O)n(CCC(=O)NC3(c4nn[n-]n4)CCC3)cnc12 ZINC001593856527 1286219678 /nfs/dbraw/zinc/21/96/78/1286219678.db2.gz JEKJKZAPVPHDIO-UHFFFAOYSA-N -1 1 353.386 0.804 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cn4c(n3)C[C@@H](OC)CC4)nc2n1 ZINC001595393036 1286246329 /nfs/dbraw/zinc/24/63/29/1286246329.db2.gz XTUQJKBYCMCQIC-NSHDSACASA-N -1 1 371.401 0.780 10 0 FCAEMM COC[C@@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1nn[n-]n1 ZINC001595889514 1286267717 /nfs/dbraw/zinc/26/77/17/1286267717.db2.gz QYIXYRCRQIOYII-CYBMUJFWSA-N -1 1 369.385 0.689 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)o1 ZINC001596992779 1286324595 /nfs/dbraw/zinc/32/45/95/1286324595.db2.gz UTCKZTJGKCDNHR-GFCCVEGCSA-N -1 1 372.443 0.581 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)Cn2nc3ccccn3c2=O)[n-]c1=O ZINC001597274709 1286335569 /nfs/dbraw/zinc/33/55/69/1286335569.db2.gz DBVGEUWIKWLSFD-UHFFFAOYSA-N -1 1 358.358 0.052 10 0 FCAEMM CCOC(=O)N1CSC[C@@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597555193 1286350842 /nfs/dbraw/zinc/35/08/42/1286350842.db2.gz YKHWVUNOSRTRRL-SNVBAGLBSA-N -1 1 370.431 0.729 10 0 FCAEMM CC[C@]1(C)NC(=O)N(CC(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)C1=O ZINC001597683321 1286355481 /nfs/dbraw/zinc/35/54/81/1286355481.db2.gz CBDWJTFXZHZMBC-INIZCTEOSA-N -1 1 364.358 0.663 10 0 FCAEMM Cc1cnc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c([O-])c1 ZINC001602996224 1287177306 /nfs/dbraw/zinc/17/73/06/1287177306.db2.gz MVPHGVOFPVXWLF-CSJGVYOVSA-N -1 1 367.427 0.037 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C(F)(F)F ZINC001719304941 1288073999 /nfs/dbraw/zinc/07/39/99/1288073999.db2.gz VQTPGDWYMKPIEQ-KKZNHRDASA-N -1 1 361.320 0.677 10 0 FCAEMM CC[C@H](F)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001719551838 1288177211 /nfs/dbraw/zinc/17/72/11/1288177211.db2.gz CRQZIIHYBUGKCO-RWMBFGLXSA-N -1 1 368.409 0.171 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001733472622 1288613274 /nfs/dbraw/zinc/61/32/74/1288613274.db2.gz UZAOCEQPYVDZQK-NEPJUHHUSA-N -1 1 353.423 0.080 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2cnccn2)CCN1C(=O)c1ncccc1[O-] ZINC001736295406 1289250603 /nfs/dbraw/zinc/25/06/03/1289250603.db2.gz XTIXKHBVPRBJGN-OCCSQVGLSA-N -1 1 355.398 0.929 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001736941686 1289497687 /nfs/dbraw/zinc/49/76/87/1289497687.db2.gz DTQOSPADUUKUSG-VHSXEESVSA-N -1 1 350.375 0.179 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCS(=O)(=O)C[C@@H]1C ZINC001611055825 1289626629 /nfs/dbraw/zinc/62/66/29/1289626629.db2.gz LNYDINQUNZHDJD-JTQLQIEISA-N -1 1 366.443 0.630 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001738840629 1289740214 /nfs/dbraw/zinc/74/02/14/1289740214.db2.gz HETRMPUQJUKJAV-YAXFVEMYSA-N -1 1 364.402 0.663 10 0 FCAEMM CN1C(=O)COc2cc(NC(=O)CNC(=O)c3ncccc3[O-])ccc21 ZINC001617929703 1289872371 /nfs/dbraw/zinc/87/23/71/1289872371.db2.gz WOPFNACYMNCVHH-UHFFFAOYSA-N -1 1 356.338 0.511 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cn(C)ccc3=O)CC2)n1 ZINC001618408461 1289904512 /nfs/dbraw/zinc/90/45/12/1289904512.db2.gz HFOUJSANZWQGOA-UHFFFAOYSA-N -1 1 359.386 0.700 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001620739840 1290020686 /nfs/dbraw/zinc/02/06/86/1290020686.db2.gz IANOVETZKZZLJA-OIBJUYFYSA-N -1 1 362.415 0.437 10 0 FCAEMM Cc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)n(Cc2ccccn2)n1 ZINC001621191800 1290029502 /nfs/dbraw/zinc/02/95/02/1290029502.db2.gz ZWUNWQIXIHDGDW-UHFFFAOYSA-N -1 1 354.370 0.514 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001739506483 1290083095 /nfs/dbraw/zinc/08/30/95/1290083095.db2.gz ZDBBGFZQAJZPMT-HBNTYKKESA-N -1 1 366.418 0.909 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(Cn4ccnn4)c3)nc2n1 ZINC001623439576 1290219345 /nfs/dbraw/zinc/21/93/45/1290219345.db2.gz XTZQKRWLEASQSZ-UHFFFAOYSA-N -1 1 364.369 0.872 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC001623677303 1290230253 /nfs/dbraw/zinc/23/02/53/1290230253.db2.gz MNHDVMHAYMCYQQ-OLZOCXBDSA-N -1 1 361.398 0.504 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC001624443686 1290273364 /nfs/dbraw/zinc/27/33/64/1290273364.db2.gz YMYPYRCEXKQVSF-GFCCVEGCSA-N -1 1 358.402 0.616 10 0 FCAEMM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC001624668755 1290286260 /nfs/dbraw/zinc/28/62/60/1290286260.db2.gz ZDVYNAYJULTRGP-NSHDSACASA-N -1 1 366.447 0.634 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC001625073914 1290316162 /nfs/dbraw/zinc/31/61/62/1290316162.db2.gz DQUGYJILYZCOHW-UHFFFAOYSA-N -1 1 361.427 0.941 10 0 FCAEMM COC(=O)Cc1csc(NC(=O)CNC(=O)c2ncccc2[O-])n1 ZINC001625337603 1290335886 /nfs/dbraw/zinc/33/58/86/1290335886.db2.gz UNZARBGJBGAUHM-UHFFFAOYSA-N -1 1 350.356 0.328 10 0 FCAEMM C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001626327517 1290388280 /nfs/dbraw/zinc/38/82/80/1290388280.db2.gz FKFCKYFFUOFTHZ-PWSUYJOCSA-N -1 1 360.432 0.578 10 0 FCAEMM CC(C)(C)OC(=O)NCc1nc(CC(=O)NCc2nn[n-]n2)cs1 ZINC001626985388 1290430066 /nfs/dbraw/zinc/43/00/66/1290430066.db2.gz RUOLMWIRJWKFIO-UHFFFAOYSA-N -1 1 353.408 0.540 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)COC(C)C ZINC001739936237 1290443197 /nfs/dbraw/zinc/44/31/97/1290443197.db2.gz SNBVJSSQAOCEPH-UKRRQHHQSA-N -1 1 365.430 0.806 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001627165948 1290443222 /nfs/dbraw/zinc/44/32/22/1290443222.db2.gz SHLNVRGLOFFHRK-GARJFASQSA-N -1 1 352.395 0.260 10 0 FCAEMM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC001627538802 1290469484 /nfs/dbraw/zinc/46/94/84/1290469484.db2.gz KNJRESHGTDEQBG-UHFFFAOYSA-N -1 1 369.385 0.881 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001627750379 1290483498 /nfs/dbraw/zinc/48/34/98/1290483498.db2.gz MPDCZVMWCTXYSS-SNVBAGLBSA-N -1 1 366.418 0.909 10 0 FCAEMM CC(C)c1nc([C@@H](CO)NC(=O)CCn2cc[n-]c(=O)c2=O)cs1 ZINC001627950468 1290497805 /nfs/dbraw/zinc/49/78/05/1290497805.db2.gz GAYWGMPPAKHDJK-SNVBAGLBSA-N -1 1 352.416 0.356 10 0 FCAEMM CC/C(C)=C\C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001740302660 1290529378 /nfs/dbraw/zinc/52/93/78/1290529378.db2.gz JJXBLUJMEMNWTG-BSPAEGICSA-N -1 1 374.441 0.531 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001740346032 1290535054 /nfs/dbraw/zinc/53/50/54/1290535054.db2.gz IOXZFTUZSOHYAU-UPJWGTAASA-N -1 1 360.414 0.564 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001628673099 1290548853 /nfs/dbraw/zinc/54/88/53/1290548853.db2.gz VGJQMFZKVMCZSS-GFCCVEGCSA-N -1 1 372.381 0.931 10 0 FCAEMM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001629098413 1290577429 /nfs/dbraw/zinc/57/74/29/1290577429.db2.gz ZCKYGLMOWRDCOJ-LLVKDONJSA-N -1 1 374.470 0.443 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)OC)nc2)co1 ZINC001629252008 1290586163 /nfs/dbraw/zinc/58/61/63/1290586163.db2.gz VZHBZHXDSLFMFX-UHFFFAOYSA-N -1 1 353.356 0.299 10 0 FCAEMM CC(C)(C)N1CCc2nc(NC(=O)Cn3c(=O)[n-][nH]c3=O)sc2C1 ZINC001630461255 1290670283 /nfs/dbraw/zinc/67/02/83/1290670283.db2.gz CUWSDACESPWLKI-UHFFFAOYSA-N -1 1 352.420 0.941 10 0 FCAEMM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001630708356 1290689768 /nfs/dbraw/zinc/68/97/68/1290689768.db2.gz LKNARZCSMICXFJ-UHFFFAOYSA-N -1 1 366.418 0.842 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC001630763057 1290698939 /nfs/dbraw/zinc/69/89/39/1290698939.db2.gz JPGDHMNEMBYXMA-VIFPVBQESA-N -1 1 355.416 0.962 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cc(Br)c2c(c1)OCCO2 ZINC001631363093 1290725948 /nfs/dbraw/zinc/72/59/48/1290725948.db2.gz BRYCHSDLRWOROD-UHFFFAOYSA-N -1 1 368.191 0.982 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1COc2ccc(O)cc2O1 ZINC001643244554 1290865829 /nfs/dbraw/zinc/86/58/29/1290865829.db2.gz SSIZZBUSYZTZBB-AWEZNQCLSA-N -1 1 359.338 0.417 10 0 FCAEMM C[C@@H](CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)NC(=O)C1CCCC1 ZINC001643241760 1290866182 /nfs/dbraw/zinc/86/61/82/1290866182.db2.gz PPTAEXHTBRUIEZ-NSHDSACASA-N -1 1 362.430 0.956 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CC[C@H](c3nn[n-]n3)C1)C2=O ZINC001643386643 1290879985 /nfs/dbraw/zinc/87/99/85/1290879985.db2.gz GUHOINWFJRKXNE-QWRGUYRKSA-N -1 1 354.370 0.509 10 0 FCAEMM COC(=O)[C@@]1(O)CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC001643516852 1290902096 /nfs/dbraw/zinc/90/20/96/1290902096.db2.gz URUAVPKDZXEEIV-GOSISDBHSA-N -1 1 372.381 0.232 10 0 FCAEMM Cc1cc(S(N)(=O)=O)cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c1C ZINC001643824154 1290917938 /nfs/dbraw/zinc/91/79/38/1290917938.db2.gz RVLFQKMNLWICEI-UHFFFAOYSA-N -1 1 366.447 0.762 10 0 FCAEMM C[C@H]1Oc2ccccc2N(CCC(=O)NC2(c3nn[n-]n3)CCC2)C1=O ZINC001643872211 1290922360 /nfs/dbraw/zinc/92/23/60/1290922360.db2.gz YNNQPOBDKOHGQS-LLVKDONJSA-N -1 1 356.386 0.899 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001644299294 1290953062 /nfs/dbraw/zinc/95/30/62/1290953062.db2.gz LUELQEQTQVMIBI-ZPFDUUQYSA-N -1 1 365.463 0.241 10 0 FCAEMM COc1ccccc1-c1nnc(CC(=O)NC2(c3nn[n-]n3)CCC2)o1 ZINC001644748372 1290980857 /nfs/dbraw/zinc/98/08/57/1290980857.db2.gz FRGIARXSLCKPPL-UHFFFAOYSA-N -1 1 355.358 0.996 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1nn2c(c1Br)CCC2 ZINC001644748336 1290981678 /nfs/dbraw/zinc/98/16/78/1290981678.db2.gz DDMRUMVSKOEZKL-UHFFFAOYSA-N -1 1 352.196 0.914 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)o1 ZINC001644841319 1290988134 /nfs/dbraw/zinc/98/81/34/1290988134.db2.gz QCJAICDTLQFLKW-HBNTYKKESA-N -1 1 355.416 0.209 10 0 FCAEMM CCOC(=O)[C@@]1(F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@@H]1CC ZINC001645178875 1291007456 /nfs/dbraw/zinc/00/74/56/1291007456.db2.gz LZTRGZHPMKXOGK-VXJOIVPMSA-N -1 1 357.338 0.650 10 0 FCAEMM O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001645346602 1291019948 /nfs/dbraw/zinc/01/99/48/1291019948.db2.gz SRQCYFPFTDFXHW-LBPRGKRZSA-N -1 1 355.402 0.824 10 0 FCAEMM COc1cc2c(cc1O)CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001645570237 1291035625 /nfs/dbraw/zinc/03/56/25/1291035625.db2.gz AFYYNEYVDXWPIO-UHFFFAOYSA-N -1 1 357.366 0.816 10 0 FCAEMM CCOC(=O)[C@]1(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)CCCOC1 ZINC001648039805 1291098850 /nfs/dbraw/zinc/09/88/50/1291098850.db2.gz OEHNANZWRPNCFX-HNNXBMFYSA-N -1 1 374.415 0.277 10 0 FCAEMM O=C([C@H]1CCCN(c2ccccc2)C1=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001648468864 1291123486 /nfs/dbraw/zinc/12/34/86/1291123486.db2.gz OSPJSMMYXZJMTR-KBPBESRZSA-N -1 1 356.386 0.543 10 0 FCAEMM COc1cnc([C@H]2CCCN2Cc2coc(S(N)(=O)=O)c2)[n-]c1=O ZINC001648550885 1291129193 /nfs/dbraw/zinc/12/91/93/1291129193.db2.gz OUMPSEKZMHPOFA-SNVBAGLBSA-N -1 1 354.388 0.768 10 0 FCAEMM CC(=O)c1cn(C2CN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)C2)nn1 ZINC001648552958 1291129422 /nfs/dbraw/zinc/12/94/22/1291129422.db2.gz PXQLWJNMASPTIL-UHFFFAOYSA-N -1 1 369.385 0.472 10 0 FCAEMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857879 1291180674 /nfs/dbraw/zinc/18/06/74/1291180674.db2.gz KXJOFJILMRQMJO-SKDRFNHKSA-N -1 1 374.405 0.731 10 0 FCAEMM CC(C)[C@@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC001650857856 1291180912 /nfs/dbraw/zinc/18/09/12/1291180912.db2.gz KOAKGCJUINAXGE-FZMZJTMJSA-N -1 1 368.397 0.836 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC001650858758 1291181078 /nfs/dbraw/zinc/18/10/78/1291181078.db2.gz SHOKFKBRGWGCHK-ZETCQYMHSA-N -1 1 358.280 0.601 10 0 FCAEMM CC(C)[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)N1C(=O)c2ccccc2C1=O ZINC001650857855 1291181678 /nfs/dbraw/zinc/18/16/78/1291181678.db2.gz KOAKGCJUINAXGE-BXUZGUMPSA-N -1 1 368.397 0.836 10 0 FCAEMM COc1ccccc1N1C[C@@H](C(=O)NC2(c3nn[n-]n3)CCC2)CC1=O ZINC001651218723 1291207706 /nfs/dbraw/zinc/20/77/06/1291207706.db2.gz TULGZGXZRJRZIU-NSHDSACASA-N -1 1 356.386 0.757 10 0 FCAEMM Cc1sc2ncn(CC(=O)NC3(c4nn[n-]n4)CCC3)c(=O)c2c1C ZINC001651218618 1291208619 /nfs/dbraw/zinc/20/86/19/1291208619.db2.gz OARIQJUFTASHDD-UHFFFAOYSA-N -1 1 359.415 0.784 10 0 FCAEMM COC[C@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1nn[n-]n1 ZINC001651846913 1291243187 /nfs/dbraw/zinc/24/31/87/1291243187.db2.gz QMUJHFKPHZBIPO-JTQLQIEISA-N -1 1 367.207 0.893 10 0 FCAEMM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651874707 1291247643 /nfs/dbraw/zinc/24/76/43/1291247643.db2.gz PLPCVLNFURYRSO-GFCCVEGCSA-N -1 1 369.385 0.498 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)o1 ZINC001653521556 1291349642 /nfs/dbraw/zinc/34/96/42/1291349642.db2.gz WYZGPFHEWQVUFP-MEBBXXQBSA-N -1 1 366.395 0.660 10 0 FCAEMM CC/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001685321291 1292498374 /nfs/dbraw/zinc/49/83/74/1292498374.db2.gz OIKMFPGCBTXKND-FSZCPTMNSA-N -1 1 364.402 0.972 10 0 FCAEMM C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001685840491 1292654241 /nfs/dbraw/zinc/65/42/41/1292654241.db2.gz BRHWCBSDDAEFDV-CHWSQXEVSA-N -1 1 358.402 0.293 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCN(C)C2)c(Br)n1C ZINC000388463679 836055873 /nfs/dbraw/zinc/05/58/73/836055873.db2.gz CPCSBEXCEIMVAW-VIFPVBQESA-N -1 1 351.270 0.864 10 0 FCAEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CCC2 ZINC000394705895 836063934 /nfs/dbraw/zinc/06/39/34/836063934.db2.gz MFMIIGYRWUXGHT-NSHDSACASA-N -1 1 358.395 0.402 10 0 FCAEMM CC(C)(CNC(=O)c1cnc(C2CC2)[n-]c1=O)N1CCS(=O)CC1 ZINC000828198542 836538301 /nfs/dbraw/zinc/53/83/01/836538301.db2.gz XBBKPHRHXWVRMZ-UHFFFAOYSA-N -1 1 352.460 0.632 10 0 FCAEMM C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CN1C1CC1 ZINC001118548361 847473137 /nfs/dbraw/zinc/47/31/37/847473137.db2.gz KVKWBDLOANDHBX-OCCSQVGLSA-N -1 1 351.447 0.831 10 0 FCAEMM COCCN1C[C@H](C(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)CC1=O ZINC001133459145 849153118 /nfs/dbraw/zinc/15/31/18/849153118.db2.gz BPLJNHWTFUUUQQ-SNVBAGLBSA-N -1 1 351.359 0.437 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[n-]c1Cl ZINC001134102868 849174592 /nfs/dbraw/zinc/17/45/92/849174592.db2.gz DQAXOCHOUNOBJF-WHLYVKQSSA-N -1 1 369.761 0.899 10 0 FCAEMM C[C@H](NC(=O)c1cnncc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001136333177 849216786 /nfs/dbraw/zinc/21/67/86/849216786.db2.gz QOQFSMAHAOQFKM-JTQLQIEISA-N -1 1 350.400 0.924 10 0 FCAEMM CCOC(=O)N1CCCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001136477273 849223415 /nfs/dbraw/zinc/22/34/15/849223415.db2.gz DKSUOWCHVMLIQH-UHFFFAOYSA-N -1 1 350.375 0.208 10 0 FCAEMM Cc1[nH]nc(Br)c1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001138438160 849310958 /nfs/dbraw/zinc/31/09/58/849310958.db2.gz QBFHNAPAGSGWPG-ZCFIWIBFSA-N -1 1 358.225 0.924 10 0 FCAEMM Nc1ccc(Br)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138991948 849324024 /nfs/dbraw/zinc/32/40/24/849324024.db2.gz VXQJUZYFWWJTHX-UHFFFAOYSA-N -1 1 367.207 0.668 10 0 FCAEMM O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001141280300 849388726 /nfs/dbraw/zinc/38/87/26/849388726.db2.gz MXAJIBNIBYYOMS-UHFFFAOYSA-N -1 1 351.378 0.148 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(=O)[n-]1 ZINC001142382797 849442199 /nfs/dbraw/zinc/44/21/99/849442199.db2.gz PXVKRXPDPRAXHS-UHFFFAOYSA-N -1 1 359.411 0.897 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cn2cc(Br)cn2)n[n-]1 ZINC001146857119 849568598 /nfs/dbraw/zinc/56/85/98/849568598.db2.gz VNDQQKOHBOLNHK-SSDOTTSWSA-N -1 1 371.195 0.818 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cn2cc(Br)cn2)[n-]1 ZINC001146857119 849568602 /nfs/dbraw/zinc/56/86/02/849568602.db2.gz VNDQQKOHBOLNHK-SSDOTTSWSA-N -1 1 371.195 0.818 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cn2cc(Br)cn2)n1 ZINC001146857119 849568609 /nfs/dbraw/zinc/56/86/09/849568609.db2.gz VNDQQKOHBOLNHK-SSDOTTSWSA-N -1 1 371.195 0.818 10 0 FCAEMM Cn1[n-]c(CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1=O ZINC001176952501 850815034 /nfs/dbraw/zinc/81/50/34/850815034.db2.gz PXAIISCXIUZIIE-KCJUWKMLSA-N -1 1 354.354 0.050 10 0 FCAEMM O=C(c1ccc(I)cc1[O-])N1CC(NC2COC2)C1 ZINC001179462064 850976999 /nfs/dbraw/zinc/97/69/99/850976999.db2.gz WGSWIHSQXAMDSW-UHFFFAOYSA-N -1 1 374.178 0.810 10 0 FCAEMM C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCS1 ZINC001179761918 850998345 /nfs/dbraw/zinc/99/83/45/850998345.db2.gz DCNIAJXXQPXXQX-DTWKUNHWSA-N -1 1 361.445 0.057 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CCCCS2(=O)=O)[n-]c1=O ZINC001180059817 851011506 /nfs/dbraw/zinc/01/15/06/851011506.db2.gz JWFFCJYLHRXNDP-PWSUYJOCSA-N -1 1 355.416 0.822 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(=O)N(C)OCC(F)(F)F ZINC001261782208 858664766 /nfs/dbraw/zinc/66/47/66/858664766.db2.gz ZNONYIHWEKJKCO-UHFFFAOYSA-N -1 1 368.337 0.895 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)co1 ZINC001263865080 859221937 /nfs/dbraw/zinc/22/19/37/859221937.db2.gz XGBIPMTZVWIYEB-XVKPBYJWSA-N -1 1 356.322 0.980 10 0 FCAEMM CC(C)N(CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1n[nH]c(=O)[n-]1 ZINC001267508760 859507460 /nfs/dbraw/zinc/50/74/60/859507460.db2.gz GPEMKCUZBFLGDJ-NEPJUHHUSA-N -1 1 352.439 0.129 10 0 FCAEMM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001290677028 865487469 /nfs/dbraw/zinc/48/74/69/865487469.db2.gz JJZUNTPLLKFPAL-UPJWGTAASA-N -1 1 350.419 0.078 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCCCS(=O)(=O)Cc1ccccc1 ZINC001290861112 865532260 /nfs/dbraw/zinc/53/22/60/865532260.db2.gz NRRDINDRLQQONM-UHFFFAOYSA-N -1 1 351.432 0.644 10 0 FCAEMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001292975842 865766756 /nfs/dbraw/zinc/76/67/56/865766756.db2.gz IZFJCJNRJHKDAS-OLZOCXBDSA-N -1 1 351.407 0.466 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](O)COc1ccccc1Br ZINC001294593676 865843020 /nfs/dbraw/zinc/84/30/20/865843020.db2.gz IDZGHPANPGEIPK-SECBINFHSA-N -1 1 370.207 0.451 10 0 FCAEMM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc([O-])cn1 ZINC001294622378 865844856 /nfs/dbraw/zinc/84/48/56/865844856.db2.gz AHKJGQUYTPIHPJ-UHFFFAOYSA-N -1 1 353.322 0.831 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC001297937318 866069335 /nfs/dbraw/zinc/06/93/35/866069335.db2.gz JCKMOTYAKMCTDM-GHMZBOCLSA-N -1 1 352.441 0.810 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n[n-]1 ZINC001300601847 866228843 /nfs/dbraw/zinc/22/88/43/866228843.db2.gz JRMSCNGUIQDXPR-VIFPVBQESA-N -1 1 358.420 0.374 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)[n-]1 ZINC001300601847 866228860 /nfs/dbraw/zinc/22/88/60/866228860.db2.gz JRMSCNGUIQDXPR-VIFPVBQESA-N -1 1 358.420 0.374 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC001300601847 866228873 /nfs/dbraw/zinc/22/88/73/866228873.db2.gz JRMSCNGUIQDXPR-VIFPVBQESA-N -1 1 358.420 0.374 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cnn(CCOC)c2C)n[n-]1 ZINC001300604193 866230983 /nfs/dbraw/zinc/23/09/83/866230983.db2.gz XRIMXWDUXITSOB-VIFPVBQESA-N -1 1 350.379 0.624 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cnn(CCOC)c2C)[n-]1 ZINC001300604193 866231004 /nfs/dbraw/zinc/23/10/04/866231004.db2.gz XRIMXWDUXITSOB-VIFPVBQESA-N -1 1 350.379 0.624 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cnn(CCOC)c2C)n1 ZINC001300604193 866231020 /nfs/dbraw/zinc/23/10/20/866231020.db2.gz XRIMXWDUXITSOB-VIFPVBQESA-N -1 1 350.379 0.624 10 0 FCAEMM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)c2nn[n-]n2)c1 ZINC001301547776 866268456 /nfs/dbraw/zinc/26/84/56/866268456.db2.gz LMHQLDYBXISVDW-UHFFFAOYSA-N -1 1 374.810 0.054 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(O)(CC(=O)[N-]OCCN2CCCC2=O)C1 ZINC001301635637 866277068 /nfs/dbraw/zinc/27/70/68/866277068.db2.gz QNCKZAKLORKXDU-UHFFFAOYSA-N -1 1 357.407 0.029 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001302136621 866310136 /nfs/dbraw/zinc/31/01/36/866310136.db2.gz FKFWBJTYWJFCMF-LPEHRKFASA-N -1 1 365.312 0.084 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3nc(N(C)C)sc3C2)co1 ZINC001350326676 866567618 /nfs/dbraw/zinc/56/76/18/866567618.db2.gz RGRVLMRJPOSYBN-UHFFFAOYSA-N -1 1 370.456 0.909 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC001351691968 866942105 /nfs/dbraw/zinc/94/21/05/866942105.db2.gz BZDOSNXTZUINEG-SNVBAGLBSA-N -1 1 374.488 0.614 10 0 FCAEMM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001326383677 870287163 /nfs/dbraw/zinc/28/71/63/870287163.db2.gz UCIAONSNWYJOAL-LBPRGKRZSA-N -1 1 364.280 0.037 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001344942744 871113497 /nfs/dbraw/zinc/11/34/97/871113497.db2.gz PVPIQIUIWJJVIV-UHFFFAOYSA-N -1 1 350.379 0.717 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001345436753 871342601 /nfs/dbraw/zinc/34/26/01/871342601.db2.gz WXKYLFYSQDAOMV-UHFFFAOYSA-N -1 1 361.387 0.182 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(=O)NCCF ZINC001329783194 872253293 /nfs/dbraw/zinc/25/32/93/872253293.db2.gz BDQAXIUDKYZLIB-ZCFIWIBFSA-N -1 1 372.191 0.736 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@@](C)(C(=O)OC)c2ccccc2)CC1=O ZINC001330368583 872596791 /nfs/dbraw/zinc/59/67/91/872596791.db2.gz XTGXMGJVEBBJEA-XJKSGUPXSA-N -1 1 354.428 0.615 10 0 FCAEMM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2ccn(-c3ccncc3)n2)CO1 ZINC001331707459 873207433 /nfs/dbraw/zinc/20/74/33/873207433.db2.gz ADMJRPZMSQCQNK-GFCCVEGCSA-N -1 1 350.400 0.894 10 0 FCAEMM C[C@@H]1CCC[C@H](CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])O1 ZINC001332103148 873374010 /nfs/dbraw/zinc/37/40/10/873374010.db2.gz LFWVNBIJDLFZLF-HUUCEWRRSA-N -1 1 356.467 0.288 10 0 FCAEMM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)[C@@H](C(=O)[O-])C1 ZINC001332473291 873523690 /nfs/dbraw/zinc/52/36/90/873523690.db2.gz BGSDUALBHBTGEO-SYQHCUMBSA-N -1 1 357.476 0.840 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@]2(C)CC2(F)F)CC1 ZINC001332578903 873564928 /nfs/dbraw/zinc/56/49/28/873564928.db2.gz KUIWETKNJAOBLX-HNNXBMFYSA-N -1 1 362.421 0.765 10 0 FCAEMM CCOC[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001333011605 873759419 /nfs/dbraw/zinc/75/94/19/873759419.db2.gz DAFAPTYONNNHEA-HBNTYKKESA-N -1 1 367.368 0.586 10 0 FCAEMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](OC)C(=O)[O-] ZINC001333138686 873818499 /nfs/dbraw/zinc/81/84/99/873818499.db2.gz VWKCNCMJYCKMEV-HNNXBMFYSA-N -1 1 351.403 0.875 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cncc(-c2nncn2C)c1)[C@H]1CCOC1 ZINC001333146264 873822701 /nfs/dbraw/zinc/82/27/01/873822701.db2.gz WJSFAQIRBYKUHR-SMDDNHRTSA-N -1 1 367.431 0.670 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ncccc1Br ZINC001648793390 1168415634 /nfs/dbraw/zinc/41/56/34/1168415634.db2.gz VPWCYZHMWHQZPJ-UHFFFAOYSA-N -1 1 353.176 0.401 10 0 FCAEMM CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)[C@H]2C1 ZINC000293936696 214212399 /nfs/dbraw/zinc/21/23/99/214212399.db2.gz QGGXVWZRIJNISY-QWHCGFSZSA-N -1 1 359.386 0.371 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCCN2CCCC2=O)c(C(F)(F)F)n1 ZINC000294285646 214235207 /nfs/dbraw/zinc/23/52/07/214235207.db2.gz XVVDELJWICPKSY-UHFFFAOYSA-N -1 1 354.354 0.730 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@@H]1CSC(=O)N1 ZINC000265876337 210239491 /nfs/dbraw/zinc/23/94/91/210239491.db2.gz ZVUUGTGYBTVYLV-NSHDSACASA-N -1 1 371.440 0.940 10 0 FCAEMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1cnn([C@@H]2CCOC2)c1 ZINC000328984769 214813638 /nfs/dbraw/zinc/81/36/38/214813638.db2.gz GGLJXCQMWQCPMH-KOLCDFICSA-N -1 1 355.338 0.844 10 0 FCAEMM CC(C)c1nnc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)s1 ZINC000288566060 213776761 /nfs/dbraw/zinc/77/67/61/213776761.db2.gz AJUMFKBTGLZVON-UHFFFAOYSA-N -1 1 351.436 0.891 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)co1 ZINC000366739466 216025394 /nfs/dbraw/zinc/02/53/94/216025394.db2.gz OPMCNYRMBXUMPF-YNEHKIRRSA-N -1 1 358.416 0.596 10 0 FCAEMM Cn1cc(-c2ccc(=NC(=O)N=c3cc(-c4nccn4C)[nH][nH]3)[n-]n2)cn1 ZINC000367231286 216094993 /nfs/dbraw/zinc/09/49/93/216094993.db2.gz MSWKPSUHAOSCTM-UHFFFAOYSA-N -1 1 364.373 0.489 10 0 FCAEMM C[C@H](CN1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)c1ccc([O-])cc1 ZINC000931330317 674108644 /nfs/dbraw/zinc/10/86/44/674108644.db2.gz FMFZXKSQFSPUHU-OCCSQVGLSA-N -1 1 356.444 0.461 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)o1 ZINC000373305761 217006640 /nfs/dbraw/zinc/00/66/40/217006640.db2.gz GHYGNMNFSURBIP-UHFFFAOYSA-N -1 1 366.399 0.661 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1 ZINC000275314270 212005896 /nfs/dbraw/zinc/00/58/96/212005896.db2.gz OMHADBKHZXCAIA-UHFFFAOYSA-N -1 1 370.427 0.644 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275314270 212005899 /nfs/dbraw/zinc/00/58/99/212005899.db2.gz OMHADBKHZXCAIA-UHFFFAOYSA-N -1 1 370.427 0.644 10 0 FCAEMM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000375896138 217331560 /nfs/dbraw/zinc/33/15/60/217331560.db2.gz UAHPSTKWOSWGQN-NSHDSACASA-N -1 1 364.427 0.419 10 0 FCAEMM CCc1nc(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)n[n-]1 ZINC000424203888 247178547 /nfs/dbraw/zinc/17/85/47/247178547.db2.gz JSKONUZOPFOXFE-UHFFFAOYSA-N -1 1 364.474 0.653 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ncccc2OCC(F)(F)F)n[n-]1 ZINC000438937324 248102697 /nfs/dbraw/zinc/10/26/97/248102697.db2.gz PJJALNCKYJIRSP-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ncccc2OCC(F)(F)F)[n-]1 ZINC000438937324 248102701 /nfs/dbraw/zinc/10/27/01/248102701.db2.gz PJJALNCKYJIRSP-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443257989 248317173 /nfs/dbraw/zinc/31/71/73/248317173.db2.gz RVWCSGJQTUWJSZ-DTWKUNHWSA-N -1 1 354.425 0.492 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCCN1CCO ZINC000452393724 249316803 /nfs/dbraw/zinc/31/68/03/249316803.db2.gz TVOMQRGGTYWKEQ-CYBMUJFWSA-N -1 1 355.460 0.635 10 0 FCAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000470985652 250084448 /nfs/dbraw/zinc/08/44/48/250084448.db2.gz RGMCYDDCTQFWMP-GFCCVEGCSA-N -1 1 359.409 0.655 10 0 FCAEMM CO[C@@H]1CC[C@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000471698331 250115467 /nfs/dbraw/zinc/11/54/67/250115467.db2.gz UQADVQPUCCDVAE-UONOGXRCSA-N -1 1 364.446 0.944 10 0 FCAEMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCc2nc[nH]n2)C1=O ZINC000473713926 250246886 /nfs/dbraw/zinc/24/68/86/250246886.db2.gz HVUGJTSFFNYVCO-SWLSCSKDSA-N -1 1 357.370 0.280 10 0 FCAEMM CC1=C(C(=O)[O-])N[C@H]([C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)SC1 ZINC000103544434 222337798 /nfs/dbraw/zinc/33/77/98/222337798.db2.gz JJUQRQMFNIGCFS-OSMZGAPFSA-N -1 1 365.411 0.277 10 0 in-vitro FCAEMM Cn1[n-]cc2/c(=N\C(=O)C(=O)N3CCN(c4ccccc4)CC3)ccnc1-2 ZINC000287594216 488885917 /nfs/dbraw/zinc/88/59/17/488885917.db2.gz WZXVHMRQRLUBAQ-JWGURIENSA-N -1 1 364.409 0.629 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279595370 488954811 /nfs/dbraw/zinc/95/48/11/488954811.db2.gz VKKOGSCBNAMBSY-AWEZNQCLSA-N -1 1 368.187 0.969 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)ccc1C ZINC000364398091 488954983 /nfs/dbraw/zinc/95/49/83/488954983.db2.gz CFNSLPMQFHAOIN-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000041626795 487834683 /nfs/dbraw/zinc/83/46/83/487834683.db2.gz JJHLLSSWBHVTFP-FRRDWIJNSA-N -1 1 357.476 0.823 10 0 FCAEMM Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000288269921 488963768 /nfs/dbraw/zinc/96/37/68/488963768.db2.gz GEHCHXVSWLHCDN-PXNCGERRSA-N -1 1 367.413 0.768 10 0 FCAEMM Cn1[n-]cc2/c(=N/C(=O)C(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)ccnc1-2 ZINC000288296643 488967342 /nfs/dbraw/zinc/96/73/42/488967342.db2.gz HORBSUAPZFPPEI-LANLRWRYSA-N -1 1 373.413 0.077 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)c1Cl ZINC000054829959 488230736 /nfs/dbraw/zinc/23/07/36/488230736.db2.gz DFKGTBJGCQZIFU-JTQLQIEISA-N -1 1 356.839 0.811 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000554533686 491208352 /nfs/dbraw/zinc/20/83/52/491208352.db2.gz ZKZQXAYUCBPHJX-NSHDSACASA-N -1 1 350.437 0.044 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000271599942 488529687 /nfs/dbraw/zinc/52/96/87/488529687.db2.gz XKJFTWAMGMNDID-VHSXEESVSA-N -1 1 355.416 0.777 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000554533685 491208675 /nfs/dbraw/zinc/20/86/75/491208675.db2.gz ZKZQXAYUCBPHJX-LLVKDONJSA-N -1 1 350.437 0.044 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112660148 488535304 /nfs/dbraw/zinc/53/53/04/488535304.db2.gz LNPPABDBTQRFON-GFCCVEGCSA-N -1 1 355.402 0.707 10 0 FCAEMM CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)CC2 ZINC000114871370 488542747 /nfs/dbraw/zinc/54/27/47/488542747.db2.gz COIINYINEVQROD-SECBINFHSA-N -1 1 353.404 0.086 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000273315600 488643488 /nfs/dbraw/zinc/64/34/88/488643488.db2.gz PTTPLSNAERETEU-OAHLLOKOSA-N -1 1 365.405 0.554 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000264667275 488696376 /nfs/dbraw/zinc/69/63/76/488696376.db2.gz ZQUNBPOLJUBYSU-LLVKDONJSA-N -1 1 366.399 0.804 10 0 FCAEMM Cc1nc2nc(S(=O)(=O)CC(=O)N(C)C)[n-]c2cc1Br ZINC000152049620 488713132 /nfs/dbraw/zinc/71/31/32/488713132.db2.gz IAIOHFVNBHZHBQ-UHFFFAOYSA-N -1 1 361.221 0.891 10 0 FCAEMM Cc1[n-]c2nc(S(=O)(=O)CC(=O)N(C)C)nc-2cc1Br ZINC000152049620 488713136 /nfs/dbraw/zinc/71/31/36/488713136.db2.gz IAIOHFVNBHZHBQ-UHFFFAOYSA-N -1 1 361.221 0.891 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000275062280 488757907 /nfs/dbraw/zinc/75/79/07/488757907.db2.gz ZAWOZVOOHYATMJ-SNVBAGLBSA-N -1 1 360.388 0.284 10 0 FCAEMM COc1cc(OC)cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000275063514 488758074 /nfs/dbraw/zinc/75/80/74/488758074.db2.gz ZHWOIABHFFFVLG-HNNXBMFYSA-N -1 1 372.443 0.921 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000267207118 488769611 /nfs/dbraw/zinc/76/96/11/488769611.db2.gz YPMQLXMXCPUTDH-JTQLQIEISA-N -1 1 356.448 0.552 10 0 FCAEMM CCNC(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289496108 489071403 /nfs/dbraw/zinc/07/14/03/489071403.db2.gz SZEJGYGYRSNWMA-ZDUSSCGKSA-N -1 1 372.429 0.666 10 0 FCAEMM COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cc1 ZINC000289498238 489071863 /nfs/dbraw/zinc/07/18/63/489071863.db2.gz TXTIWFAHXBLYTL-AWEZNQCLSA-N -1 1 359.430 0.945 10 0 FCAEMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000289565203 489077490 /nfs/dbraw/zinc/07/74/90/489077490.db2.gz YDEUFGVEJDIBRN-LLVKDONJSA-N -1 1 356.386 0.263 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](c3nc(=O)[n-][nH]3)C1)C2=O ZINC000289571840 489078092 /nfs/dbraw/zinc/07/80/92/489078092.db2.gz HYBAUAWYJPHYAH-LLVKDONJSA-N -1 1 369.381 0.409 10 0 FCAEMM CC(C)(C)c1nc(S(=O)(=O)CC(=O)N2CCOC[C@@H]2C2CC2)n[n-]1 ZINC000365714388 489103805 /nfs/dbraw/zinc/10/38/05/489103805.db2.gz WTJCSNPZTOWELN-LLVKDONJSA-N -1 1 356.448 0.513 10 0 FCAEMM C[C@@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)n1nnc(-c2ccccc2)n1 ZINC000282885538 489197011 /nfs/dbraw/zinc/19/70/11/489197011.db2.gz JYEPXPAJADGLBE-AAEUAGOBSA-N -1 1 368.401 0.719 10 0 FCAEMM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C1=O ZINC000282957846 489201563 /nfs/dbraw/zinc/20/15/63/489201563.db2.gz QZOYBJJQJROOCR-NWDGAFQWSA-N -1 1 371.397 0.618 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282973894 489203031 /nfs/dbraw/zinc/20/30/31/489203031.db2.gz BAZYGEZHHURITA-RISCZKNCSA-N -1 1 373.427 0.912 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282973881 489203327 /nfs/dbraw/zinc/20/33/27/489203327.db2.gz BAZYGEZHHURITA-BXUZGUMPSA-N -1 1 373.427 0.912 10 0 FCAEMM O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283003546 489205320 /nfs/dbraw/zinc/20/53/20/489205320.db2.gz VUNRJSLLOFFYLG-CYBMUJFWSA-N -1 1 353.386 0.758 10 0 FCAEMM C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)NC1=O ZINC000283031686 489208736 /nfs/dbraw/zinc/20/87/36/489208736.db2.gz YMZUWJHEIGRUGL-ZJUUUORDSA-N -1 1 357.370 0.837 10 0 FCAEMM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283072021 489212968 /nfs/dbraw/zinc/21/29/68/489212968.db2.gz AQSBBIGNAUIXDF-LBPRGKRZSA-N -1 1 373.413 0.633 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)o1 ZINC000283148461 489219923 /nfs/dbraw/zinc/21/99/23/489219923.db2.gz JNURRQMBGDZZPI-BXUZGUMPSA-N -1 1 373.427 0.912 10 0 FCAEMM COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283447484 489260773 /nfs/dbraw/zinc/26/07/73/489260773.db2.gz JSONFITXEAQENX-LLVKDONJSA-N -1 1 359.386 0.243 10 0 FCAEMM COc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)c1 ZINC000349469023 489292415 /nfs/dbraw/zinc/29/24/15/489292415.db2.gz QADXFNPPEMQVST-UHFFFAOYSA-N -1 1 365.433 0.189 10 0 FCAEMM C[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349481155 489296052 /nfs/dbraw/zinc/29/60/52/489296052.db2.gz MLJJBAUBPOLBQB-VIFPVBQESA-N -1 1 372.415 0.231 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000298638692 489348037 /nfs/dbraw/zinc/34/80/37/489348037.db2.gz CWBDCZXUTMBWSX-ZDUSSCGKSA-N -1 1 367.383 0.561 10 0 FCAEMM Cn1c(=O)[nH]cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1=O ZINC000370353837 489348750 /nfs/dbraw/zinc/34/87/50/489348750.db2.gz UDJMJPYUNIWYCU-UHFFFAOYSA-N -1 1 357.366 0.927 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370852393 489411097 /nfs/dbraw/zinc/41/10/97/489411097.db2.gz NHNGGJROYPBGQK-RYUDHWBXSA-N -1 1 366.447 0.191 10 0 FCAEMM O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370859188 489414290 /nfs/dbraw/zinc/41/42/90/489414290.db2.gz FZRPQTROVZIGHX-NSHDSACASA-N -1 1 371.806 0.227 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c(Br)n1C ZINC000286888646 489439443 /nfs/dbraw/zinc/43/94/43/489439443.db2.gz NLGSTKBUONOQIY-SECBINFHSA-N -1 1 367.269 0.100 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c(Br)n1C ZINC000287074050 489458076 /nfs/dbraw/zinc/45/80/76/489458076.db2.gz XSONSEKNYHQRGQ-SSDOTTSWSA-N -1 1 363.241 0.450 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000287365431 489480191 /nfs/dbraw/zinc/48/01/91/489480191.db2.gz YQLJPAPWTIAGMC-MRVPVSSYSA-N -1 1 364.305 0.798 10 0 FCAEMM COC(=O)CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)OC ZINC000451449845 489505346 /nfs/dbraw/zinc/50/53/46/489505346.db2.gz CJYXYDNICCSWBB-VHSXEESVSA-N -1 1 357.375 0.836 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)o1 ZINC000451664490 489515097 /nfs/dbraw/zinc/51/50/97/489515097.db2.gz BVTACPGTVMZFGQ-GFCCVEGCSA-N -1 1 360.432 0.581 10 0 FCAEMM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085809 489543053 /nfs/dbraw/zinc/54/30/53/489543053.db2.gz ANKHWNNTHMCNJZ-SNVBAGLBSA-N -1 1 371.401 1.002 10 0 FCAEMM NC(=O)CN1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1=O ZINC000458068446 489668808 /nfs/dbraw/zinc/66/88/08/489668808.db2.gz KWGFXQGAXGXVJM-UHFFFAOYSA-N -1 1 362.773 0.364 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1nn[n-]n1 ZINC000376496769 489744271 /nfs/dbraw/zinc/74/42/71/489744271.db2.gz ZHTDLALKULDTNF-PWSUYJOCSA-N -1 1 352.464 0.853 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc(OCc3ccccc3)cn2)[n-]1 ZINC000430639864 489761170 /nfs/dbraw/zinc/76/11/70/489761170.db2.gz GNEGCLVLNNCDBG-UHFFFAOYSA-N -1 1 374.382 0.830 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc(OCc3ccccc3)cn2)n[n-]1 ZINC000430639864 489761175 /nfs/dbraw/zinc/76/11/75/489761175.db2.gz GNEGCLVLNNCDBG-UHFFFAOYSA-N -1 1 374.382 0.830 10 0 FCAEMM COc1cc(OC)cc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000461675231 489928572 /nfs/dbraw/zinc/92/85/72/489928572.db2.gz YFQUOZIZZCXVSV-UHFFFAOYSA-N -1 1 374.401 0.532 10 0 FCAEMM C[C@H]1Cc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc2N1S(C)(=O)=O ZINC000477032974 489933810 /nfs/dbraw/zinc/93/38/10/489933810.db2.gz UGDFCUQWYXEHLT-VIFPVBQESA-N -1 1 362.415 0.329 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000477042052 489935288 /nfs/dbraw/zinc/93/52/88/489935288.db2.gz VLCQKFTVUYXZKB-UHFFFAOYSA-N -1 1 362.415 0.403 10 0 FCAEMM O=C(CCNC(=O)N1CCc2ccccc2C1)NC1(c2nn[n-]n2)CC1 ZINC000477053644 489935881 /nfs/dbraw/zinc/93/58/81/489935881.db2.gz CBCLITMROZOKPM-UHFFFAOYSA-N -1 1 355.402 0.463 10 0 FCAEMM Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000377986761 489991694 /nfs/dbraw/zinc/99/16/94/489991694.db2.gz ODWWCZAEALEBBR-UHFFFAOYSA-N -1 1 367.431 0.699 10 0 FCAEMM COc1cc(C(=O)NCC(=O)NCCN2CCOCC2)cc(Cl)c1[O-] ZINC000442969223 490063327 /nfs/dbraw/zinc/06/33/27/490063327.db2.gz RCXHWNQIOVFEMJ-UHFFFAOYSA-N -1 1 371.821 0.232 10 0 FCAEMM O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533113577 490178339 /nfs/dbraw/zinc/17/83/39/490178339.db2.gz FPAUFORVEWOCJP-LLVKDONJSA-N -1 1 369.360 0.905 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)o1 ZINC000408051648 490228418 /nfs/dbraw/zinc/22/84/18/490228418.db2.gz LELRFWQCBFZVKE-QJPTWQEYSA-N -1 1 358.416 0.190 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)o1 ZINC000408051646 490229241 /nfs/dbraw/zinc/22/92/41/490229241.db2.gz LELRFWQCBFZVKE-IJLUTSLNSA-N -1 1 358.416 0.190 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCS(=O)(=O)NC(C)C)cnc2n1 ZINC000521795745 490298706 /nfs/dbraw/zinc/29/87/06/490298706.db2.gz RGSUAXRDGGWNDZ-UHFFFAOYSA-N -1 1 352.416 0.701 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCS(=O)(=O)NC(C)C)c2=O ZINC000521795745 490298712 /nfs/dbraw/zinc/29/87/12/490298712.db2.gz RGSUAXRDGGWNDZ-UHFFFAOYSA-N -1 1 352.416 0.701 10 0 FCAEMM CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1nn[n-]n1 ZINC000467634921 490323448 /nfs/dbraw/zinc/32/34/48/490323448.db2.gz KCQUBBIVPFSPRG-ONGXEEELSA-N -1 1 370.410 0.663 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cn1C ZINC000547893303 490378872 /nfs/dbraw/zinc/37/88/72/490378872.db2.gz GGRMFYVDXFUJJD-GFCCVEGCSA-N -1 1 373.431 0.029 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000509276671 490409443 /nfs/dbraw/zinc/40/94/43/490409443.db2.gz LUBYRDQGXLFJSD-UHFFFAOYSA-N -1 1 371.353 0.597 10 0 FCAEMM O=C(CSc1nnnn1C1CCCC1)NC1(c2nn[n-]n2)CCCC1 ZINC000522855181 490412863 /nfs/dbraw/zinc/41/28/63/490412863.db2.gz TWVPJOHCQQWNBP-UHFFFAOYSA-N -1 1 363.451 0.979 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1CC(N)=O ZINC000509852861 490470554 /nfs/dbraw/zinc/47/05/54/490470554.db2.gz UUMFWUZYXVVZEP-AWEZNQCLSA-N -1 1 369.425 0.939 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)[n-]1 ZINC000523789184 490495772 /nfs/dbraw/zinc/49/57/72/490495772.db2.gz IAEOMZJQRHLRIE-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)n[n-]1 ZINC000523789184 490495780 /nfs/dbraw/zinc/49/57/80/490495780.db2.gz IAEOMZJQRHLRIE-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CC(C)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000500567269 490535665 /nfs/dbraw/zinc/53/56/65/490535665.db2.gz HIFHNUSXOJILMB-AXFHLTTASA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000500567269 490535669 /nfs/dbraw/zinc/53/56/69/490535669.db2.gz HIFHNUSXOJILMB-AXFHLTTASA-N -1 1 359.452 0.281 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000485588304 490545720 /nfs/dbraw/zinc/54/57/20/490545720.db2.gz JNRGEAQSOQCCMC-UWVGGRQHSA-N -1 1 360.370 0.109 10 0 FCAEMM CC(C)(C)OC(=O)CSCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000524976524 490573464 /nfs/dbraw/zinc/57/34/64/490573464.db2.gz BYLRJJBCLMXKGE-UHFFFAOYSA-N -1 1 350.422 0.222 10 0 FCAEMM CC(C)(C)OC(=O)CSCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000524976524 490573468 /nfs/dbraw/zinc/57/34/68/490573468.db2.gz BYLRJJBCLMXKGE-UHFFFAOYSA-N -1 1 350.422 0.222 10 0 FCAEMM CCOc1ccncc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000571927113 491338215 /nfs/dbraw/zinc/33/82/15/491338215.db2.gz OJPJFVAZCLTVKY-LBPRGKRZSA-N -1 1 357.432 0.698 10 0 FCAEMM C[C@H](OCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1nccn1C ZINC000486960190 490682513 /nfs/dbraw/zinc/68/25/13/490682513.db2.gz ABKQCMKANIRJKA-VIFPVBQESA-N -1 1 354.388 0.489 10 0 FCAEMM CN(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1nc2ccccc2s1 ZINC000512606552 490689794 /nfs/dbraw/zinc/68/97/94/490689794.db2.gz CUFWEQJZWUTXPF-UHFFFAOYSA-N -1 1 366.428 0.893 10 0 FCAEMM CN(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1nc2ccccc2s1 ZINC000512606552 490689798 /nfs/dbraw/zinc/68/97/98/490689798.db2.gz CUFWEQJZWUTXPF-UHFFFAOYSA-N -1 1 366.428 0.893 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc(=O)c3ccccc32)c1 ZINC000537850230 490699143 /nfs/dbraw/zinc/69/91/43/490699143.db2.gz CFDJSSYOHUBHPF-UHFFFAOYSA-N -1 1 373.390 0.993 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCOc2ccc3c(c2)OCO3)n1 ZINC000487332382 490704972 /nfs/dbraw/zinc/70/49/72/490704972.db2.gz BGNCGEKRZYENRI-UHFFFAOYSA-N -1 1 368.371 0.735 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCCOc2ccc3c(c2)OCO3)[n-]1 ZINC000487332382 490704977 /nfs/dbraw/zinc/70/49/77/490704977.db2.gz BGNCGEKRZYENRI-UHFFFAOYSA-N -1 1 368.371 0.735 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000538226276 490720951 /nfs/dbraw/zinc/72/09/51/490720951.db2.gz OBERFMFDMSQNSI-ZDUSSCGKSA-N -1 1 363.443 0.942 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000572159408 491353234 /nfs/dbraw/zinc/35/32/34/491353234.db2.gz KOHQCGAMAGTUPB-HOCLYGCPSA-N -1 1 361.442 0.804 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000503285434 490749475 /nfs/dbraw/zinc/74/94/75/490749475.db2.gz SQUDEXGOGBESEB-QGZVFWFLSA-N -1 1 364.423 0.961 10 0 FCAEMM COC(=O)[C@H]1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000488665460 490770873 /nfs/dbraw/zinc/77/08/73/490770873.db2.gz DLMBCXBKBQXERQ-ZDUSSCGKSA-N -1 1 356.382 0.704 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cccc1S(N)(=O)=O ZINC000540425132 490822088 /nfs/dbraw/zinc/82/20/88/490822088.db2.gz UPLGCQFKZFMTTP-JTQLQIEISA-N -1 1 350.404 0.175 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cccc1S(N)(=O)=O ZINC000540425133 490822514 /nfs/dbraw/zinc/82/25/14/490822514.db2.gz UPLGCQFKZFMTTP-SNVBAGLBSA-N -1 1 350.404 0.175 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2cccc(O)c2)co1 ZINC000540509617 490825933 /nfs/dbraw/zinc/82/59/33/490825933.db2.gz RQJPXIGIRIOMLI-ZDUSSCGKSA-N -1 1 368.367 0.537 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)o1 ZINC000529766200 490875352 /nfs/dbraw/zinc/87/53/52/490875352.db2.gz LZGZWYSEVIXCFM-MNOVXSKESA-N -1 1 360.432 0.626 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000530261887 490895741 /nfs/dbraw/zinc/89/57/41/490895741.db2.gz HNFLKVOVBMRNEJ-FZMZJTMJSA-N -1 1 354.374 0.347 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000543746043 490944755 /nfs/dbraw/zinc/94/47/55/490944755.db2.gz UAJIELIJLCZFCM-JSGCOSHPSA-N -1 1 370.413 0.916 10 0 FCAEMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)C2)C1 ZINC000543845925 490949623 /nfs/dbraw/zinc/94/96/23/490949623.db2.gz WAGHYSFQHHCGLH-ZBEGNZNMSA-N -1 1 369.443 0.696 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000519694957 490984733 /nfs/dbraw/zinc/98/47/33/490984733.db2.gz UVORBXLXVYMFAY-PWSUYJOCSA-N -1 1 372.381 0.816 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nc(-c2ccc(OC)cc2)n[n-]1 ZINC000562598016 491175990 /nfs/dbraw/zinc/17/59/90/491175990.db2.gz ADRAANUEINWXKH-UHFFFAOYSA-N -1 1 374.444 0.193 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2)n1 ZINC000562598016 491175992 /nfs/dbraw/zinc/17/59/92/491175992.db2.gz ADRAANUEINWXKH-UHFFFAOYSA-N -1 1 374.444 0.193 10 0 FCAEMM O=c1nc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc2[nH][n-]cc1-2 ZINC000569731322 491186691 /nfs/dbraw/zinc/18/66/91/491186691.db2.gz LVVQQFWIYIWEBH-JTQLQIEISA-N -1 1 360.399 0.307 10 0 FCAEMM CO[C@@H](C)c1nc(=NC(CS(=O)(=O)N(C)C)C(F)(F)F)s[n-]1 ZINC000557425928 491374026 /nfs/dbraw/zinc/37/40/26/491374026.db2.gz CDXWQWHYXCLWRT-BQBZGAKWSA-N -1 1 362.399 0.902 10 0 FCAEMM CC[C@](C)(CO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000566447479 491444756 /nfs/dbraw/zinc/44/47/56/491444756.db2.gz VLRIOQMHHSIWCU-MRXNPFEDSA-N -1 1 372.443 0.760 10 0 FCAEMM CCN(CC)CCS(=O)(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000568261738 491563382 /nfs/dbraw/zinc/56/33/82/491563382.db2.gz OJYUYMPTUVFRIX-UHFFFAOYSA-N -1 1 358.464 0.890 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(F)c1 ZINC000568559668 491587139 /nfs/dbraw/zinc/58/71/39/491587139.db2.gz BWDPSFCZCCFDHK-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000586757190 491731752 /nfs/dbraw/zinc/73/17/52/491731752.db2.gz TWRYSEYMHZFEFB-UHFFFAOYSA-N -1 1 363.403 0.439 10 0 FCAEMM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000586757190 491731753 /nfs/dbraw/zinc/73/17/53/491731753.db2.gz TWRYSEYMHZFEFB-UHFFFAOYSA-N -1 1 363.403 0.439 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)CCOCC(F)(F)F)CCSC1 ZINC000589227142 491757741 /nfs/dbraw/zinc/75/77/41/491757741.db2.gz QDVSYXREYVOAAO-VIFPVBQESA-N -1 1 351.368 0.533 10 0 FCAEMM O=C(CNS(=O)(=O)c1cccc(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000581132680 491760681 /nfs/dbraw/zinc/76/06/81/491760681.db2.gz LZRGGKFFXGAHKN-UHFFFAOYSA-N -1 1 368.394 0.203 10 0 FCAEMM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1nc2ccccc2c(=O)[n-]1 ZINC000673848059 493366520 /nfs/dbraw/zinc/36/65/20/493366520.db2.gz JMDIBFPJVHAFCI-AWEZNQCLSA-N -1 1 356.382 0.433 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1scnc1C)c1ccnn1C ZINC000592098461 491832107 /nfs/dbraw/zinc/83/21/07/491832107.db2.gz WBLIODRXYMIUSC-LBPRGKRZSA-N -1 1 358.445 0.561 10 0 FCAEMM CCOC(=O)c1nnc([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)s1 ZINC000600818628 491884768 /nfs/dbraw/zinc/88/47/68/491884768.db2.gz KUNRAHZIHFHQDI-QMMMGPOBSA-N -1 1 352.376 0.595 10 0 FCAEMM CCOC(=O)c1ccc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000595885733 491959332 /nfs/dbraw/zinc/95/93/32/491959332.db2.gz TUBYWMBVFOQFQA-FZKQIMNGSA-N -1 1 362.382 0.835 10 0 FCAEMM COC[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000613020780 491962844 /nfs/dbraw/zinc/96/28/44/491962844.db2.gz FSLOTLMGCPLSAA-CQSZACIVSA-N -1 1 374.415 0.013 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613539431 491985515 /nfs/dbraw/zinc/98/55/15/491985515.db2.gz YLIUVHBNTJMVPC-KOLCDFICSA-N -1 1 353.180 0.751 10 0 FCAEMM O=C(N[C@H](Cc1cccnc1)C(=O)NCc1nn[n-]n1)c1ccccc1 ZINC000603469752 492033797 /nfs/dbraw/zinc/03/37/97/492033797.db2.gz PSHMGIXZWHPITO-CQSZACIVSA-N -1 1 351.370 0.252 10 0 FCAEMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1c([O-])cc(F)cc1F ZINC000604606237 492065236 /nfs/dbraw/zinc/06/52/36/492065236.db2.gz JKGGOJALBGJXDE-CYBMUJFWSA-N -1 1 355.385 0.807 10 0 FCAEMM CCCC(=O)N1CCC[C@@H](C(=O)NCc2n[n-]c(C(=O)OCC)n2)C1 ZINC000615918044 492106896 /nfs/dbraw/zinc/10/68/96/492106896.db2.gz QRYWRTMABAKILA-LLVKDONJSA-N -1 1 351.407 0.636 10 0 FCAEMM CCCC(=O)N1CCC[C@@H](C(=O)NCc2nc(C(=O)OCC)n[n-]2)C1 ZINC000615918044 492106899 /nfs/dbraw/zinc/10/68/99/492106899.db2.gz QRYWRTMABAKILA-LLVKDONJSA-N -1 1 351.407 0.636 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)n[n-]1 ZINC000615919254 492107127 /nfs/dbraw/zinc/10/71/27/492107127.db2.gz CEWWWVADLSQCLR-LLVKDONJSA-N -1 1 360.370 0.858 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)n1 ZINC000615919254 492107131 /nfs/dbraw/zinc/10/71/31/492107131.db2.gz CEWWWVADLSQCLR-LLVKDONJSA-N -1 1 360.370 0.858 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)n[n-]1 ZINC000616029876 492115128 /nfs/dbraw/zinc/11/51/28/492115128.db2.gz KKTFSVFKQLEKDD-UHFFFAOYSA-N -1 1 367.312 0.306 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)n1 ZINC000616029876 492115130 /nfs/dbraw/zinc/11/51/30/492115130.db2.gz KKTFSVFKQLEKDD-UHFFFAOYSA-N -1 1 367.312 0.306 10 0 FCAEMM CO[C@@](C)(C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)C(=O)OC(C)(C)C ZINC000598838530 492119199 /nfs/dbraw/zinc/11/91/99/492119199.db2.gz LTCOQNFPLBYIJV-HNNXBMFYSA-N -1 1 351.363 0.411 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1F ZINC000599240251 492147207 /nfs/dbraw/zinc/14/72/07/492147207.db2.gz WLTSYAZAIVIBNG-SECBINFHSA-N -1 1 362.354 0.651 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000608365779 492174379 /nfs/dbraw/zinc/17/43/79/492174379.db2.gz BGBKQYZDNVSAOY-ZJUUUORDSA-N -1 1 356.375 0.505 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)co1 ZINC000617534925 492174493 /nfs/dbraw/zinc/17/44/93/492174493.db2.gz MODJJZAKHWTAEK-CYZMBNFOSA-N -1 1 360.432 0.484 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)o1 ZINC000599526531 492183735 /nfs/dbraw/zinc/18/37/35/492183735.db2.gz WJTKOKFRJKBYDA-NSHDSACASA-N -1 1 356.400 0.888 10 0 FCAEMM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000600015136 492230284 /nfs/dbraw/zinc/23/02/84/492230284.db2.gz GMUWWYCLFYGCHA-MNOVXSKESA-N -1 1 367.427 0.679 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(C3CCOCC3)n2)co1 ZINC000618904853 492242858 /nfs/dbraw/zinc/24/28/58/492242858.db2.gz UPAMBDBPCHWDQN-UHFFFAOYSA-N -1 1 354.388 0.988 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1ccc(Br)cc1[O-] ZINC000600494228 492275078 /nfs/dbraw/zinc/27/50/78/492275078.db2.gz OPKDNPGSJAIDOF-UHFFFAOYSA-N -1 1 373.203 0.954 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000647588020 492327368 /nfs/dbraw/zinc/32/73/68/492327368.db2.gz BSXCFZSSZQJAFS-CQSZACIVSA-N -1 1 351.447 0.833 10 0 FCAEMM CC(C)(C)NS(=O)(=O)CCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000642120993 492336583 /nfs/dbraw/zinc/33/65/83/492336583.db2.gz NFHWMNSUCKXUFW-UHFFFAOYSA-N -1 1 352.416 0.371 10 0 FCAEMM COc1ccc(-n2cc([O-])c(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000655296078 492427545 /nfs/dbraw/zinc/42/75/45/492427545.db2.gz GGHMDUDBQZTFDH-UONOGXRCSA-N -1 1 358.398 0.478 10 0 FCAEMM O=C(Nc1nc(SCCO)n[nH]1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000621915496 492432509 /nfs/dbraw/zinc/43/25/09/492432509.db2.gz DOWXROGKKJHDJS-VXGBXAGGSA-N -1 1 350.400 0.984 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H](C)C2)n[nH]1 ZINC000655895685 492485243 /nfs/dbraw/zinc/48/52/43/492485243.db2.gz FPXRQQQAZRHZHQ-OLZOCXBDSA-N -1 1 365.434 0.931 10 0 FCAEMM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc3nc(C)cc(=O)n3[n-]1)C2 ZINC000622871907 492491659 /nfs/dbraw/zinc/49/16/59/492491659.db2.gz MQYISIFUSLKCMX-NSHDSACASA-N -1 1 355.354 0.924 10 0 FCAEMM COc1ccc2c(c1)C[C@H](C(=O)Nc1nc3nc(C)cc(=O)n3[n-]1)CO2 ZINC000622871922 492491676 /nfs/dbraw/zinc/49/16/76/492491676.db2.gz NJCINCXOTDUCLG-NSHDSACASA-N -1 1 355.354 0.924 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccnc(NC(=O)C(C)C)c3)nc2n1 ZINC000622869957 492492106 /nfs/dbraw/zinc/49/21/06/492492106.db2.gz NEPCZQABOBMCCA-UHFFFAOYSA-N -1 1 355.358 0.968 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCCN3C(=O)C(C)C)nc2n1 ZINC000622996503 492498354 /nfs/dbraw/zinc/49/83/54/492498354.db2.gz QACZRLVDPXQVIX-GFCCVEGCSA-N -1 1 360.418 0.956 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N2CC(C3CC3)C2)cc1[N-]S(C)(=O)=O ZINC000643600977 492504650 /nfs/dbraw/zinc/50/46/50/492504650.db2.gz WLOCIPMSNOQASQ-UHFFFAOYSA-N -1 1 367.427 0.874 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCOCC(F)(F)C(F)F)nc2n1 ZINC000643909402 492601292 /nfs/dbraw/zinc/60/12/92/492601292.db2.gz WNAOXSYYSVCBHL-UHFFFAOYSA-N -1 1 351.260 0.972 10 0 FCAEMM CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000656391578 492621089 /nfs/dbraw/zinc/62/10/89/492621089.db2.gz PSZMMEOKMSZOEW-UHFFFAOYSA-N -1 1 365.452 0.977 10 0 FCAEMM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656869154 492655314 /nfs/dbraw/zinc/65/53/14/492655314.db2.gz BJIUEUKDQNFUOW-UHFFFAOYSA-N -1 1 372.266 0.062 10 0 FCAEMM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656913863 492667797 /nfs/dbraw/zinc/66/77/97/492667797.db2.gz PEGJURDQAUOXCS-NSHDSACASA-N -1 1 353.238 0.910 10 0 FCAEMM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1ncccc1Br ZINC000656943812 492675004 /nfs/dbraw/zinc/67/50/04/492675004.db2.gz LZVYJRVKPZLACR-SSDOTTSWSA-N -1 1 357.251 0.556 10 0 FCAEMM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656976108 492684848 /nfs/dbraw/zinc/68/48/48/492684848.db2.gz NFGNJMUYORFTME-LDYMZIIASA-N -1 1 351.222 0.662 10 0 FCAEMM O=S(=O)([N-]C[C@H](CO)[C@H]1CCOC1)c1ncccc1Br ZINC000656978156 492685038 /nfs/dbraw/zinc/68/50/38/492685038.db2.gz FMCZXQFDLSUDKX-VHSXEESVSA-N -1 1 365.249 0.767 10 0 FCAEMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ncccc1Br ZINC000657007849 492693008 /nfs/dbraw/zinc/69/30/08/492693008.db2.gz SQZJCHICNWMTEK-NXEZZACHSA-N -1 1 351.222 0.926 10 0 FCAEMM O=S(=O)([N-][C@H](CO)[C@H]1CCCOC1)c1ncccc1Br ZINC000657013174 492693540 /nfs/dbraw/zinc/69/35/40/492693540.db2.gz KSUIMAKVOLBAMT-GXSJLCMTSA-N -1 1 365.249 0.910 10 0 FCAEMM CN1CC[C@H](C[N-]S(=O)(=O)c2ncccc2Br)CC1=O ZINC000657018253 492695639 /nfs/dbraw/zinc/69/56/39/492695639.db2.gz OWFOAMQGBMGASD-VIFPVBQESA-N -1 1 362.249 0.991 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1ncccc1Br ZINC000625383565 492770293 /nfs/dbraw/zinc/77/02/93/492770293.db2.gz NPMZLTMIXNSZLX-UWVGGRQHSA-N -1 1 351.222 0.662 10 0 FCAEMM Cc1cnc(C)c(NC(=O)C(=O)N2CCN(c3nc(=N)[n-]s3)CC2)c1 ZINC000651652180 492801448 /nfs/dbraw/zinc/80/14/48/492801448.db2.gz ZKJLJASUBSZPLX-UHFFFAOYSA-N -1 1 361.431 0.250 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000631875804 492867272 /nfs/dbraw/zinc/86/72/72/492867272.db2.gz ZXQNWBXEGBLSKQ-UHFFFAOYSA-N -1 1 350.400 0.702 10 0 FCAEMM CCNC(=O)C1CN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC000625995579 492912406 /nfs/dbraw/zinc/91/24/06/492912406.db2.gz QPPZSZFJWPQRIT-UHFFFAOYSA-N -1 1 359.382 0.753 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632197038 492948054 /nfs/dbraw/zinc/94/80/54/492948054.db2.gz KNWYWBKXZDJOJN-OLZOCXBDSA-N -1 1 355.391 0.081 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O)C1CCOCC1 ZINC000645646309 492952924 /nfs/dbraw/zinc/95/29/24/492952924.db2.gz UXFYIJZRIUGVAS-CVEARBPZSA-N -1 1 368.455 0.763 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O)C1CCOCC1 ZINC000645646312 492953175 /nfs/dbraw/zinc/95/31/75/492953175.db2.gz UXFYIJZRIUGVAS-JKSUJKDBSA-N -1 1 368.455 0.763 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)sn1 ZINC000632592729 493039603 /nfs/dbraw/zinc/03/96/03/493039603.db2.gz YVPNKWWXZBIXQK-CQSZACIVSA-N -1 1 361.489 0.346 10 0 FCAEMM CC[C@H](C(=O)[O-])N(C)C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000653339868 493096033 /nfs/dbraw/zinc/09/60/33/493096033.db2.gz XISYKVMXBXKDIT-ZCFIWIBFSA-N -1 1 361.284 0.648 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1-n1cnnn1)C1CCOCC1 ZINC000647124716 493168308 /nfs/dbraw/zinc/16/83/08/493168308.db2.gz VYXZYVBYDPBIDB-HNNXBMFYSA-N -1 1 367.431 0.846 10 0 FCAEMM Cc1noc2ncc(S(=O)(=O)N[C@@H](CN3CCCCC3)C(=O)[O-])cc12 ZINC000681578782 493189026 /nfs/dbraw/zinc/18/90/26/493189026.db2.gz UPMAUCXLJWYFHP-ZDUSSCGKSA-N -1 1 368.415 0.749 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)on1 ZINC000660013700 493315206 /nfs/dbraw/zinc/31/52/06/493315206.db2.gz UDUPSWYMSWDFCM-UHFFFAOYSA-N -1 1 364.376 0.704 10 0 FCAEMM Cc1cccc(NC(=O)[C@H]2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)C2)n1 ZINC000662206762 493496095 /nfs/dbraw/zinc/49/60/95/493496095.db2.gz SHVKDSLITQLCIM-KBPBESRZSA-N -1 1 360.414 0.726 10 0 FCAEMM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670416468 493563720 /nfs/dbraw/zinc/56/37/20/493563720.db2.gz RJVOADGYHDKRKN-UHFFFAOYSA-N -1 1 366.361 0.871 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)C1CCC1 ZINC000663601540 493602728 /nfs/dbraw/zinc/60/27/28/493602728.db2.gz CTRBYUZIBUXUGA-CQSZACIVSA-N -1 1 357.370 0.823 10 0 FCAEMM CN(CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)Cc1ccccc1 ZINC000663620916 493605179 /nfs/dbraw/zinc/60/51/79/493605179.db2.gz SGKBCISYPADLBT-MRXNPFEDSA-N -1 1 361.442 0.852 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnco1 ZINC000677645417 493610860 /nfs/dbraw/zinc/61/08/60/493610860.db2.gz XIWULVGCINHPHJ-UHFFFAOYSA-N -1 1 353.356 0.653 10 0 FCAEMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(n2cnnn2)CCOCC1 ZINC000666314395 493771429 /nfs/dbraw/zinc/77/14/29/493771429.db2.gz QISNESBCZVPIJK-UHFFFAOYSA-N -1 1 355.358 0.913 10 0 FCAEMM O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Br)cc1[O-] ZINC000156190696 534625757 /nfs/dbraw/zinc/62/57/57/534625757.db2.gz JZEGKQHAHQJSTE-NSHDSACASA-N -1 1 359.220 0.578 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762987 536358379 /nfs/dbraw/zinc/35/83/79/536358379.db2.gz HWYLFLRSJABLDV-NSHDSACASA-N -1 1 373.331 0.878 10 0 FCAEMM Cn1nccc1[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000592105810 546608181 /nfs/dbraw/zinc/60/81/81/546608181.db2.gz JWPYRZIFJGSDDB-DGCLKSJQSA-N -1 1 359.448 0.901 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106179 546608391 /nfs/dbraw/zinc/60/83/91/546608391.db2.gz RAQFFFYOJACTFG-DRZSPHRISA-N -1 1 359.448 0.900 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)c1ccnn1C ZINC000592094167 546611139 /nfs/dbraw/zinc/61/11/39/546611139.db2.gz ZCNWOSKIFJUCKF-CYBMUJFWSA-N -1 1 366.399 0.020 10 0 FCAEMM COC(=O)CCc1nnc([N-]C(=O)c2coc(S(C)(=O)=O)c2)s1 ZINC000593071110 546686012 /nfs/dbraw/zinc/68/60/12/546686012.db2.gz YPKAKGYPJRDRBL-UHFFFAOYSA-N -1 1 359.385 0.893 10 0 FCAEMM CCOC(=O)Cc1nnc([N-]C(=O)c2coc(S(C)(=O)=O)c2)s1 ZINC000593103124 546689603 /nfs/dbraw/zinc/68/96/03/546689603.db2.gz GMZDRWDCSXZZIU-UHFFFAOYSA-N -1 1 359.385 0.893 10 0 FCAEMM COC[C@](C)([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC ZINC000594760590 546820619 /nfs/dbraw/zinc/82/06/19/546820619.db2.gz RKQJXIXVAUWYKV-NSHDSACASA-N -1 1 367.221 0.701 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000594471433 546791970 /nfs/dbraw/zinc/79/19/70/546791970.db2.gz FBOGUJWGUDJFBK-SDDRHHMPSA-N -1 1 360.432 0.842 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594471919 546792232 /nfs/dbraw/zinc/79/22/32/546792232.db2.gz SBNYUSFYJWDKHX-UTUOFQBUSA-N -1 1 360.432 0.842 10 0 FCAEMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(=O)OC ZINC000594785981 546835152 /nfs/dbraw/zinc/83/51/52/546835152.db2.gz WSRNSTOHWHIJRF-XDQVBPFNSA-N -1 1 351.465 0.935 10 0 FCAEMM O=C(Cn1ccnc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000552338075 547201319 /nfs/dbraw/zinc/20/13/19/547201319.db2.gz PDGSOYWSXPDYHT-UHFFFAOYSA-N -1 1 366.399 0.248 10 0 FCAEMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1c(C)onc1N ZINC000593651094 547380617 /nfs/dbraw/zinc/38/06/17/547380617.db2.gz YCXZNKZTHIHCKO-JTQLQIEISA-N -1 1 361.420 0.734 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)n2)CC1 ZINC000909355515 664376385 /nfs/dbraw/zinc/37/63/85/664376385.db2.gz DIDBDMJHHOHLCS-INIZCTEOSA-N -1 1 350.444 0.524 10 0 FCAEMM COC(=O)/C(C)=C/CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000925019371 664958540 /nfs/dbraw/zinc/95/85/40/664958540.db2.gz WKHDGMFCBOQUJH-QGQQYVBWSA-N -1 1 351.325 0.958 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C)C1(N2CCOCC2)CCCC1 ZINC000866942813 665227331 /nfs/dbraw/zinc/22/73/31/665227331.db2.gz YUYIGUQPNUHKQK-DMZKTXOQSA-N -1 1 367.537 0.972 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000866965366 665252018 /nfs/dbraw/zinc/25/20/18/665252018.db2.gz HYDSVRNVANFGOG-QKVFXAPYSA-N -1 1 351.494 0.730 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000921379193 666442046 /nfs/dbraw/zinc/44/20/46/666442046.db2.gz SKKWPIBSWULRML-SDDRHHMPSA-N -1 1 367.489 0.932 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000921380193 666442261 /nfs/dbraw/zinc/44/22/61/666442261.db2.gz JVUKBTWNNVXZQV-ZETCQYMHSA-N -1 1 359.326 0.295 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CCS(=O)(=O)C1 ZINC000921466513 666449382 /nfs/dbraw/zinc/44/93/82/666449382.db2.gz CTSGZSTUKSFRCD-LBPRGKRZSA-N -1 1 371.839 0.961 10 0 FCAEMM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000730311950 666626988 /nfs/dbraw/zinc/62/69/88/666626988.db2.gz SOSRPCBBHZXFFC-GFCCVEGCSA-N -1 1 350.396 0.798 10 0 FCAEMM C/C(=C/C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)CN1CCOCC1 ZINC000913779854 666650887 /nfs/dbraw/zinc/65/08/87/666650887.db2.gz KFXGBINCBXDHEJ-HMVFGEFZSA-N -1 1 363.380 0.934 10 0 FCAEMM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000731727924 666836325 /nfs/dbraw/zinc/83/63/25/666836325.db2.gz FSCOGKFRXYKGRV-UHFFFAOYSA-N -1 1 356.400 0.204 10 0 FCAEMM O=S(=O)([N-]C[C@H]1CN2CCN1CCC2)c1ccc(Br)o1 ZINC000917055663 667049159 /nfs/dbraw/zinc/04/91/59/667049159.db2.gz KSPLOCLGDFIFSJ-JTQLQIEISA-N -1 1 364.265 0.710 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)cc1C ZINC000917066705 667053081 /nfs/dbraw/zinc/05/30/81/667053081.db2.gz PGLOPNSOSSPZJR-LBPRGKRZSA-N -1 1 357.432 0.043 10 0 FCAEMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1nc2c(s1)CCCC2 ZINC000921591874 667139342 /nfs/dbraw/zinc/13/93/42/667139342.db2.gz HPDKYOOWJKKFFV-HXUWFJFHSA-N -1 1 352.507 0.931 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(F)c(F)cc1F ZINC000918989166 667149147 /nfs/dbraw/zinc/14/91/47/667149147.db2.gz PKBUCWJCDVGKNI-VIFPVBQESA-N -1 1 354.350 0.075 10 0 FCAEMM O=S(=O)([N-]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)nc1F ZINC000921721858 667468337 /nfs/dbraw/zinc/46/83/37/667468337.db2.gz BTXOYZREAYZVHE-CBLAIPOGSA-N -1 1 352.384 0.746 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cn1 ZINC000921864775 667522540 /nfs/dbraw/zinc/52/25/40/667522540.db2.gz VJSTUSYLIQKGPD-KOLCDFICSA-N -1 1 357.354 0.775 10 0 FCAEMM COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000760100679 667836150 /nfs/dbraw/zinc/83/61/50/667836150.db2.gz NCSGWZVPUCFOCU-TWGQIWQCSA-N -1 1 370.427 0.510 10 0 FCAEMM C[C@@H](CCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)NC(=O)OC(C)(C)C ZINC000765318283 668004638 /nfs/dbraw/zinc/00/46/38/668004638.db2.gz JPALAKRPWBERTA-QWRGUYRKSA-N -1 1 354.411 0.793 10 0 FCAEMM CSc1ccc(N2C[C@H](C(=O)OCc3nc(=O)n(C)[n-]3)CC2=O)cc1 ZINC000765439557 668007079 /nfs/dbraw/zinc/00/70/79/668007079.db2.gz RZKGDITZXJJHPL-SNVBAGLBSA-N -1 1 362.411 0.927 10 0 FCAEMM CC(C)NC(=O)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804872893 668035123 /nfs/dbraw/zinc/03/51/23/668035123.db2.gz VTFYUONNUAKWIV-NHCYSSNCSA-N -1 1 366.384 0.998 10 0 FCAEMM Cc1ccc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)NC3CC3)c[nH]2)o1 ZINC000773231073 668082407 /nfs/dbraw/zinc/08/24/07/668082407.db2.gz IFGHBDMYXWDGJO-UHFFFAOYSA-N -1 1 372.428 0.729 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2ccnn2C)c(=O)[nH]c1=O ZINC000772648243 668319517 /nfs/dbraw/zinc/31/95/17/668319517.db2.gz DIYSHMSNMNZUFV-UHFFFAOYSA-N -1 1 369.447 0.741 10 0 FCAEMM CC[C@H](CO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000779823008 668439719 /nfs/dbraw/zinc/43/97/19/668439719.db2.gz FZQHMXOCLQERNE-LLVKDONJSA-N -1 1 358.416 0.370 10 0 FCAEMM CCS(=O)(=O)CCn1cc(C)c([N-]S(=O)(=O)N2CCC[C@H]2C)n1 ZINC000782560112 668567804 /nfs/dbraw/zinc/56/78/04/668567804.db2.gz GSELRXMJNIYCKI-GFCCVEGCSA-N -1 1 364.493 0.767 10 0 FCAEMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CCS(C)(=O)=O ZINC000784389713 668654768 /nfs/dbraw/zinc/65/47/68/668654768.db2.gz FNVYLPHNMFTSJQ-NSHDSACASA-N -1 1 357.494 0.708 10 0 FCAEMM CCOCCNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805789129 668735832 /nfs/dbraw/zinc/73/58/32/668735832.db2.gz ZILVNCWIQGASSC-GVXVVHGQSA-N -1 1 353.385 0.917 10 0 FCAEMM C[C@@H]1C[C@@H](COC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000786197755 668749755 /nfs/dbraw/zinc/74/97/55/668749755.db2.gz MRWQOEJJKGEHFD-ZJUUUORDSA-N -1 1 360.388 0.015 10 0 FCAEMM CC(C)[C@@H](OC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)N1CCOCC1 ZINC000786493261 668763247 /nfs/dbraw/zinc/76/32/47/668763247.db2.gz LBBKGVSLRWJMCY-CYBMUJFWSA-N -1 1 352.391 0.288 10 0 FCAEMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)[n-]1 ZINC000796369693 669097679 /nfs/dbraw/zinc/09/76/79/669097679.db2.gz RJBAJELKVSPILW-VIFPVBQESA-N -1 1 351.359 0.084 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000867022175 669208749 /nfs/dbraw/zinc/20/87/49/669208749.db2.gz PESUHKWGLVZZIY-LFVRLGFBSA-N -1 1 373.500 0.987 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807709006 669509696 /nfs/dbraw/zinc/50/96/96/669509696.db2.gz YWMRUYUEENLCJF-NAKRPEOUSA-N -1 1 370.393 0.725 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2COC[C@H]2OC)c(F)cc1Cl ZINC000828059311 669613382 /nfs/dbraw/zinc/61/33/82/669613382.db2.gz JSAXUEQCEYQECK-GHMZBOCLSA-N -1 1 367.782 0.958 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@@H]1OC ZINC000867107085 669941637 /nfs/dbraw/zinc/94/16/37/669941637.db2.gz RKLAEPQQMKDGPH-MRTMQBJTSA-N -1 1 357.354 0.910 10 0 FCAEMM CN1CCN(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000867149308 670018216 /nfs/dbraw/zinc/01/82/16/670018216.db2.gz XLOPAIIIXPNRSS-JOCHJYFZSA-N -1 1 360.505 0.225 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000867183636 670055377 /nfs/dbraw/zinc/05/53/77/670055377.db2.gz IQDJFDCQVKWYIN-JTQLQIEISA-N -1 1 356.416 0.678 10 0 FCAEMM COC(=O)NCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000836650206 670055640 /nfs/dbraw/zinc/05/56/40/670055640.db2.gz MXLZLKFQVCICDK-GUBZILKMSA-N -1 1 368.356 0.829 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c(F)cc1Cl ZINC000837294750 670097098 /nfs/dbraw/zinc/09/70/98/670097098.db2.gz MTPYHCWEVLVQNU-MRVPVSSYSA-N -1 1 357.718 0.967 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)[C@H]1CCOC1 ZINC000867496322 670121512 /nfs/dbraw/zinc/12/15/12/670121512.db2.gz ABHYGXKUHISNBD-YUMQZZPRSA-N -1 1 354.226 0.502 10 0 FCAEMM CC[C@@](COC)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC ZINC000841532774 670582443 /nfs/dbraw/zinc/58/24/43/670582443.db2.gz YYTJKKDSXHFKAF-LBPRGKRZSA-N -1 1 353.828 0.628 10 0 FCAEMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000841535282 670583396 /nfs/dbraw/zinc/58/33/96/670583396.db2.gz QSQKZNDGIAJRDY-ZDUSSCGKSA-N -1 1 352.412 0.382 10 0 FCAEMM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867274429 670611772 /nfs/dbraw/zinc/61/17/72/670611772.db2.gz HKMIYKXSRNXJFX-UHFFFAOYSA-N -1 1 363.383 0.540 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnc3c2ncn3C)CCC1 ZINC000843013277 670766210 /nfs/dbraw/zinc/76/62/10/670766210.db2.gz GEJKLKAEPFYZLT-UHFFFAOYSA-N -1 1 351.432 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(CC(F)(F)F)c2)CCC1 ZINC000843015571 670767220 /nfs/dbraw/zinc/76/72/20/670767220.db2.gz MSSCOLFRDQLSPH-UHFFFAOYSA-N -1 1 368.381 0.989 10 0 FCAEMM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cn1 ZINC000843015559 670767315 /nfs/dbraw/zinc/76/73/15/670767315.db2.gz MIMTVBVOIDSCGM-AATRIKPKSA-N -1 1 354.432 0.429 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ncn(-c3ccccc3)n2)CCC1 ZINC000843016700 670767505 /nfs/dbraw/zinc/76/75/05/670767505.db2.gz SLSZLMWKCDPTNM-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM Cc1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)ncc1C(N)=O ZINC000843015847 670767541 /nfs/dbraw/zinc/76/75/41/670767541.db2.gz YFSRJNZCMJPQAK-UHFFFAOYSA-N -1 1 354.432 0.033 10 0 FCAEMM CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)nn1 ZINC000843017607 670767983 /nfs/dbraw/zinc/76/79/83/670767983.db2.gz GQGBPFPIUABHCC-UHFFFAOYSA-N -1 1 357.480 0.868 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)CCC1 ZINC000843018191 670768044 /nfs/dbraw/zinc/76/80/44/670768044.db2.gz IOVVUSSFJDJRLW-UHFFFAOYSA-N -1 1 359.492 0.709 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CNC(=O)Nc2ccccc2)CCC1 ZINC000843018495 670768611 /nfs/dbraw/zinc/76/86/11/670768611.db2.gz TZYJSBYBCIZWSR-UHFFFAOYSA-N -1 1 368.459 0.738 10 0 FCAEMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018995 670768775 /nfs/dbraw/zinc/76/87/75/670768775.db2.gz XQXGOIKSTCNHIR-CQSZACIVSA-N -1 1 373.519 0.954 10 0 FCAEMM CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843019864 670769343 /nfs/dbraw/zinc/76/93/43/670769343.db2.gz ZQJTYIBKSYXWND-CYBMUJFWSA-N -1 1 359.492 0.565 10 0 FCAEMM Cc1cc2nc(C)cc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)n2n1 ZINC000843019832 670769368 /nfs/dbraw/zinc/76/93/68/670769368.db2.gz YPDGMHVXTXYZRV-UHFFFAOYSA-N -1 1 365.459 0.890 10 0 FCAEMM C[S@](=O)(=NS(=O)(=O)[N-]CCN1CCC(O)CC1)c1ccccc1 ZINC000867362381 670931564 /nfs/dbraw/zinc/93/15/64/670931564.db2.gz VXEPGGCWDAUMFZ-JOCHJYFZSA-N -1 1 361.489 0.434 10 0 FCAEMM CC[C@@](COC)([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000867377864 670960084 /nfs/dbraw/zinc/96/00/84/670960084.db2.gz OJANWISQQAPXTO-NSHDSACASA-N -1 1 373.353 0.685 10 0 FCAEMM CCON(C)C(=O)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000845559458 671022037 /nfs/dbraw/zinc/02/20/37/671022037.db2.gz XKJUEGUOHGFYNS-JTQLQIEISA-N -1 1 368.356 0.496 10 0 FCAEMM CN1CC[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000867428060 671122934 /nfs/dbraw/zinc/12/29/34/671122934.db2.gz CVSFVYCQNWZULU-AMXDTQDGSA-N -1 1 359.473 0.846 10 0 FCAEMM Cn1ccnc1COCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000847097373 671171616 /nfs/dbraw/zinc/17/16/16/671171616.db2.gz HXJCUZAZWLHPQS-UHFFFAOYSA-N -1 1 362.352 0.854 10 0 FCAEMM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000848513256 671282925 /nfs/dbraw/zinc/28/29/25/671282925.db2.gz HSQOLUXLNQLKDT-ZDUSSCGKSA-N -1 1 358.441 0.922 10 0 FCAEMM CCc1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000848608244 671286152 /nfs/dbraw/zinc/28/61/52/671286152.db2.gz RKAJVCPWFJPRHB-JIMOISOXSA-N -1 1 350.419 0.840 10 0 FCAEMM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848958185 671306713 /nfs/dbraw/zinc/30/67/13/671306713.db2.gz JTRWHAVPCGISNZ-UHFFFAOYSA-N -1 1 369.415 0.726 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCNC2=O)c(F)cc1Cl ZINC000849410158 671339508 /nfs/dbraw/zinc/33/95/08/671339508.db2.gz IKAQNOHIOAAJJT-VIFPVBQESA-N -1 1 350.755 0.433 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)o1 ZINC000849419345 671340683 /nfs/dbraw/zinc/34/06/83/671340683.db2.gz ICIPQGXWDTYJNH-NRFANRHFSA-N -1 1 363.335 0.656 10 0 FCAEMM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2c[nH]nc2Cl)CCOC1 ZINC000849446908 671347240 /nfs/dbraw/zinc/34/72/40/671347240.db2.gz DLWCXGAOEVXETG-LBPRGKRZSA-N -1 1 351.812 0.842 10 0 FCAEMM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000850119563 671373339 /nfs/dbraw/zinc/37/33/39/671373339.db2.gz RNFQAJAZFXHQEQ-JTQLQIEISA-N -1 1 358.395 0.470 10 0 FCAEMM CCc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC000851700865 671460581 /nfs/dbraw/zinc/46/05/81/671460581.db2.gz DEYMHNOGBYGETD-XVKPBYJWSA-N -1 1 363.292 0.973 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000851700833 671460593 /nfs/dbraw/zinc/46/05/93/671460593.db2.gz QMIGQPYXPBYHSL-UWVGGRQHSA-N -1 1 361.276 0.056 10 0 FCAEMM CCc1ocnc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704630 671462467 /nfs/dbraw/zinc/46/24/67/671462467.db2.gz YWLZQLGSYXNHTO-XCBNKYQSSA-N -1 1 363.292 0.973 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC(N)=O ZINC000852520279 671511566 /nfs/dbraw/zinc/51/15/66/671511566.db2.gz FTQWTGWUAQZOPZ-PSASIEDQSA-N -1 1 353.341 0.325 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccncc1 ZINC000852959086 671534128 /nfs/dbraw/zinc/53/41/28/671534128.db2.gz WYIMMYWUHUJOJF-ZYHUDNBSSA-N -1 1 359.304 0.747 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(=O)n(C)cn1 ZINC000903162347 675916978 /nfs/dbraw/zinc/91/69/78/675916978.db2.gz DDXOBHKSSWHULF-ZDUSSCGKSA-N -1 1 355.391 0.919 10 0 FCAEMM COC(=O)c1nc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1Cl ZINC000855457797 671644389 /nfs/dbraw/zinc/64/43/89/671644389.db2.gz OUMMRFYWZSQVJG-UHFFFAOYSA-N -1 1 366.761 0.078 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)COCC(=O)OC(C)(C)C)nc2n1 ZINC000857684905 671733180 /nfs/dbraw/zinc/73/31/80/671733180.db2.gz SQLXBXBYLOXEKB-UHFFFAOYSA-N -1 1 351.363 0.277 10 0 FCAEMM COCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858887404 671781053 /nfs/dbraw/zinc/78/10/53/671781053.db2.gz VRFSWHAZPDNDRY-UHFFFAOYSA-N -1 1 370.200 0.024 10 0 FCAEMM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cc(F)ccc1F ZINC000903542856 675941767 /nfs/dbraw/zinc/94/17/67/675941767.db2.gz XRRVLVCXGUWCAC-JTQLQIEISA-N -1 1 354.400 0.020 10 0 FCAEMM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000859287295 671810181 /nfs/dbraw/zinc/81/01/81/671810181.db2.gz MAXYMHHOKXIDMI-MRVPVSSYSA-N -1 1 353.322 0.979 10 0 FCAEMM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859346531 671818198 /nfs/dbraw/zinc/81/81/98/671818198.db2.gz SZGSSQIWNZDAGR-ZCFIWIBFSA-N -1 1 371.184 0.186 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C(c1ccnn1C)c1ccnn1C ZINC000859406061 671823833 /nfs/dbraw/zinc/82/38/33/671823833.db2.gz IIPVYKWUATVQPX-UHFFFAOYSA-N -1 1 351.392 0.100 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)O1 ZINC000862235572 672039903 /nfs/dbraw/zinc/03/99/03/672039903.db2.gz CIXRQGMCZMAALD-YTWAJWBKSA-N -1 1 366.336 0.623 10 0 FCAEMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000862301260 672043371 /nfs/dbraw/zinc/04/33/71/672043371.db2.gz DLRIFYCZMDWRBK-QGZVFWFLSA-N -1 1 351.403 0.650 10 0 FCAEMM CCOC(=O)C1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CCOCC1 ZINC000803831183 675974100 /nfs/dbraw/zinc/97/41/00/675974100.db2.gz HOMWBVAEXZNKSC-UHFFFAOYSA-N -1 1 355.309 0.958 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1nc(C2CCOCC2)ns1 ZINC000863260512 672108090 /nfs/dbraw/zinc/10/80/90/672108090.db2.gz KFITUHQIYVDAON-UHFFFAOYSA-N -1 1 351.388 0.311 10 0 FCAEMM COc1cncc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000863532885 672134033 /nfs/dbraw/zinc/13/40/33/672134033.db2.gz MIPRVRRLAOEODK-MWLCHTKSSA-N -1 1 362.308 0.581 10 0 FCAEMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866500675 672278598 /nfs/dbraw/zinc/27/85/98/672278598.db2.gz YCEUXWOXFPRINS-DMZKTXOQSA-N -1 1 361.489 0.698 10 0 FCAEMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1=O ZINC000866791527 672306118 /nfs/dbraw/zinc/30/61/18/672306118.db2.gz DIMSOBONZJTBND-MRVPVSSYSA-N -1 1 354.354 0.727 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C1CCOCC1 ZINC000867499032 672326503 /nfs/dbraw/zinc/32/65/03/672326503.db2.gz QVTSTTLAUMSUPL-VIFPVBQESA-N -1 1 368.253 0.892 10 0 FCAEMM CCC(CC)(C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F ZINC000867729692 672359957 /nfs/dbraw/zinc/35/99/57/672359957.db2.gz SLLKAEDCLFXUOT-UHFFFAOYSA-N -1 1 371.381 0.731 10 0 FCAEMM COC(=O)C1CC([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000867769105 672365779 /nfs/dbraw/zinc/36/57/79/672365779.db2.gz JTGXAPXCQGEBGE-UHFFFAOYSA-N -1 1 366.237 0.721 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000867774423 672366085 /nfs/dbraw/zinc/36/60/85/672366085.db2.gz VZYUKFJDXHFJGZ-VXNVDRBHSA-N -1 1 371.337 0.295 10 0 FCAEMM COC[C@H](CCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC000868762399 672409763 /nfs/dbraw/zinc/40/97/63/672409763.db2.gz ZKODKJDAVKDETD-GXFFZTMASA-N -1 1 355.357 0.890 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCC1 ZINC000870446082 672492619 /nfs/dbraw/zinc/49/26/19/672492619.db2.gz BOESTHDQCSQZON-ZJUUUORDSA-N -1 1 374.381 0.263 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)nc2C1 ZINC000870447060 672493039 /nfs/dbraw/zinc/49/30/39/672493039.db2.gz NKDPCYMVDZFVCE-LBPRGKRZSA-N -1 1 370.475 0.388 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000871212210 672536256 /nfs/dbraw/zinc/53/62/56/672536256.db2.gz KRLDRKPUBXCUTD-VHSXEESVSA-N -1 1 372.365 0.412 10 0 FCAEMM Cc1noc(C)c1CCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096708 673557866 /nfs/dbraw/zinc/55/78/66/673557866.db2.gz KBTLLKBEQZWHFM-QGZVFWFLSA-N -1 1 351.403 0.612 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@H]12)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000925172813 673781608 /nfs/dbraw/zinc/78/16/08/673781608.db2.gz USANEQNLXJVFEP-YNEHKIRRSA-N -1 1 366.491 0.979 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@@H]12)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000925172811 673781808 /nfs/dbraw/zinc/78/18/08/673781808.db2.gz USANEQNLXJVFEP-XQQFMLRXSA-N -1 1 366.491 0.979 10 0 FCAEMM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000926331593 673823907 /nfs/dbraw/zinc/82/39/07/673823907.db2.gz GSHJJKJHXFIAFZ-KSSFIOAISA-N -1 1 351.447 0.785 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccn(C)n3)C2)o1 ZINC000928188664 673904315 /nfs/dbraw/zinc/90/43/15/673904315.db2.gz RIYVYUISBGEOFC-NSHDSACASA-N -1 1 352.416 0.941 10 0 FCAEMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000900627513 675701575 /nfs/dbraw/zinc/70/15/75/675701575.db2.gz ZBLDADAIRNMIPA-VHSXEESVSA-N -1 1 350.345 0.666 10 0 FCAEMM COCCOc1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC001625854032 1168374410 /nfs/dbraw/zinc/37/44/10/1168374410.db2.gz QOJBPUMAQXYGJS-UHFFFAOYSA-N -1 1 360.370 0.254 10 0 FCAEMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001648890075 1169097786 /nfs/dbraw/zinc/09/77/86/1169097786.db2.gz YRCAKQGMHOWZTA-UHFFFAOYSA-N -1 1 359.423 0.876 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CCCC1 ZINC001719845561 1186316129 /nfs/dbraw/zinc/31/61/29/1186316129.db2.gz HMMQJSNWVQNRKA-ILXRZTDVSA-N -1 1 372.425 0.285 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@H](C2OCCO2)C1 ZINC001687390755 1188352044 /nfs/dbraw/zinc/35/20/44/1188352044.db2.gz JGACOLRHBVVVLW-JTQLQIEISA-N -1 1 350.375 0.159 10 0 FCAEMM Cc1cc(N(C)C)cc(C)c1CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907940038 1195717230 /nfs/dbraw/zinc/71/72/30/1195717230.db2.gz IGOJVVFDEBWPAS-UHFFFAOYSA-N -1 1 358.446 0.935 10 0 FCAEMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908791718 1195766048 /nfs/dbraw/zinc/76/60/48/1195766048.db2.gz UJFMLTYTTTVGPV-JKSUJKDBSA-N -1 1 361.442 0.599 10 0 FCAEMM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908791717 1195766900 /nfs/dbraw/zinc/76/69/00/1195766900.db2.gz UJFMLTYTTTVGPV-HZPDHXFCSA-N -1 1 361.442 0.599 10 0 FCAEMM CN1CCN(c2cccc(C(=O)N[C@@]3(CC(=O)[O-])CCCOC3)n2)CC1 ZINC000909690968 1195794056 /nfs/dbraw/zinc/79/40/56/1195794056.db2.gz BEYVLOUXSAYARU-GOSISDBHSA-N -1 1 362.430 0.587 10 0 FCAEMM O=C(Cn1[n-]cc2c(=O)ncnc1-2)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735218616 1197840697 /nfs/dbraw/zinc/84/06/97/1197840697.db2.gz CHZLITILIXNAQO-AWEZNQCLSA-N -1 1 353.382 0.889 10 0 FCAEMM CC(=O)c1ccc([O-])c(CCOC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000744626700 1198322875 /nfs/dbraw/zinc/32/28/75/1198322875.db2.gz SKNUEQVWOOHYPX-FNORWQNLSA-N -1 1 372.377 0.791 10 0 FCAEMM COc1ccccc1CO[N-]C(=O)C(=O)NCCCCN1CCOCC1 ZINC000787903482 1200916880 /nfs/dbraw/zinc/91/68/80/1200916880.db2.gz MAQDMKOWBXQYPS-UHFFFAOYSA-N -1 1 365.430 0.472 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000791157410 1201129225 /nfs/dbraw/zinc/12/92/25/1201129225.db2.gz YRXHTRHHZKMKFZ-HNNXBMFYSA-N -1 1 359.382 0.233 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC[C@@H]3CCCC[C@@H]3O)ccnc1-2 ZINC000806945284 1202799277 /nfs/dbraw/zinc/79/92/77/1202799277.db2.gz SRWHHMCUXPNCNV-WFASDCNBSA-N -1 1 359.430 0.728 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@@H](c4ccccn4)C3)ccnc1-2 ZINC000807074498 1202810733 /nfs/dbraw/zinc/81/07/33/1202810733.db2.gz RWPYNIQRTHJUNF-GFCCVEGCSA-N -1 1 350.382 0.691 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000813084073 1202990653 /nfs/dbraw/zinc/99/06/53/1202990653.db2.gz GOWNNTJZGNBUQL-NSHDSACASA-N -1 1 373.335 0.838 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnn(-c4ccc(F)cc4)n3)nc2n1 ZINC000813378492 1202994201 /nfs/dbraw/zinc/99/42/01/1202994201.db2.gz QDMNIZVTRFQMBS-UHFFFAOYSA-N -1 1 354.305 0.698 10 0 FCAEMM C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2nn[n-]n2)C1=O ZINC001135917930 1203106019 /nfs/dbraw/zinc/10/60/19/1203106019.db2.gz BJUAPNJRVHUPQN-QGZVFWFLSA-N -1 1 371.401 0.497 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CCC(c3nn[nH]n3)CC2)o1)C(F)(F)F ZINC001174941740 1206297948 /nfs/dbraw/zinc/29/79/48/1206297948.db2.gz WPWQCKZAMCTENE-UHFFFAOYSA-N -1 1 372.307 0.991 10 0 FCAEMM CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175215202 1206301619 /nfs/dbraw/zinc/30/16/19/1206301619.db2.gz XRSQVYYESMINLG-AWEZNQCLSA-N -1 1 362.430 0.908 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001176593580 1206315616 /nfs/dbraw/zinc/31/56/16/1206315616.db2.gz HJDUTCMVGJSPRW-ZDUSSCGKSA-N -1 1 357.418 0.628 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574192 1206343308 /nfs/dbraw/zinc/34/33/08/1206343308.db2.gz UHXKOXYCRAVKJC-SNVBAGLBSA-N -1 1 361.358 0.656 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574192 1206343311 /nfs/dbraw/zinc/34/33/11/1206343311.db2.gz UHXKOXYCRAVKJC-SNVBAGLBSA-N -1 1 361.358 0.656 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001177574192 1206343312 /nfs/dbraw/zinc/34/33/12/1206343312.db2.gz UHXKOXYCRAVKJC-SNVBAGLBSA-N -1 1 361.358 0.656 10 0 FCAEMM C[C@@H](CN(C)C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000774001757 1206424104 /nfs/dbraw/zinc/42/41/04/1206424104.db2.gz GBYRDLSJKQYMOL-NSHDSACASA-N -1 1 368.438 0.788 10 0 FCAEMM CCOCCCCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001489362565 1208823429 /nfs/dbraw/zinc/82/34/29/1208823429.db2.gz AWDWEPACMKUQGY-UKRRQHHQSA-N -1 1 365.430 0.686 10 0 FCAEMM COC[C@@]1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)CCOC1 ZINC001489446920 1208861913 /nfs/dbraw/zinc/86/19/13/1208861913.db2.gz YAJCUNFFBZTWCU-VFVRVIDISA-N -1 1 363.414 0.417 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001489687995 1209088214 /nfs/dbraw/zinc/08/82/14/1209088214.db2.gz NVMQTBNEWNGFAD-YTYTYAHDSA-N -1 1 362.430 0.437 10 0 FCAEMM O=C(CCc1cn[nH]n1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001489873214 1209132196 /nfs/dbraw/zinc/13/21/96/1209132196.db2.gz XLOOTIUIUKBUQF-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM O=C(CCc1c[nH]nn1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001489873214 1209132204 /nfs/dbraw/zinc/13/22/04/1209132204.db2.gz XLOOTIUIUKBUQF-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)[C@H]1C[C@@H]1C ZINC001490006770 1209209900 /nfs/dbraw/zinc/20/99/00/1209209900.db2.gz TYNSDLCEAUUFJN-XDQVBPFNSA-N -1 1 362.430 0.078 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001490578324 1209379014 /nfs/dbraw/zinc/37/90/14/1209379014.db2.gz AWQVQVGVGQYWJK-NMKXLXIOSA-N -1 1 372.429 0.716 10 0 FCAEMM NC(=O)c1cccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737057 1209560953 /nfs/dbraw/zinc/56/09/53/1209560953.db2.gz QFJJPHFMDYZOHI-VXGBXAGGSA-N -1 1 373.331 0.882 10 0 FCAEMM NC(=O)c1cccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737057 1209560959 /nfs/dbraw/zinc/56/09/59/1209560959.db2.gz QFJJPHFMDYZOHI-VXGBXAGGSA-N -1 1 373.331 0.882 10 0 FCAEMM O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000859278146 1209815404 /nfs/dbraw/zinc/81/54/04/1209815404.db2.gz LLKCDAPNHNECCE-VIFPVBQESA-N -1 1 371.323 0.965 10 0 FCAEMM CCOC(=O)C1=CC[C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000862048092 1209894118 /nfs/dbraw/zinc/89/41/18/1209894118.db2.gz GIMJHTIPIOLFQO-NSHDSACASA-N -1 1 357.370 0.048 10 0 FCAEMM Cc1nc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000864162147 1209956310 /nfs/dbraw/zinc/95/63/10/1209956310.db2.gz IFFRUVOVBMLSMW-SSDOTTSWSA-N -1 1 371.279 0.616 10 0 FCAEMM O=C(Cn1cnnn1)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314133 1210139852 /nfs/dbraw/zinc/13/98/52/1210139852.db2.gz HKHMGDNIEONQBE-SNVBAGLBSA-N -1 1 368.319 0.872 10 0 FCAEMM CCC[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001137206536 1210727377 /nfs/dbraw/zinc/72/73/77/1210727377.db2.gz WCVZLZHLTIXRAR-WDMOLILDSA-N -1 1 373.335 0.968 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000777356385 1210993095 /nfs/dbraw/zinc/99/30/95/1210993095.db2.gz XMTGSXLHCZWZPN-CYBMUJFWSA-N -1 1 361.402 0.459 10 0 FCAEMM COC(OC)C(=O)N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000930956905 1211730925 /nfs/dbraw/zinc/73/09/25/1211730925.db2.gz NYXFHBMYROSLGP-UHFFFAOYSA-N -1 1 362.382 0.762 10 0 FCAEMM O=C(C=CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)Nc1ccc2n[nH]cc2c1 ZINC000778932783 1211939342 /nfs/dbraw/zinc/93/93/42/1211939342.db2.gz CSZRKAIBTQUYIQ-MVIFTORASA-N -1 1 366.385 0.977 10 0 FCAEMM CC(=O)N1CCN(CCNC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900202195 1217970363 /nfs/dbraw/zinc/97/03/63/1217970363.db2.gz FEEKOURNJYYCFN-UHFFFAOYSA-N -1 1 360.389 0.973 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccnc1-2 ZINC000801703804 1218146050 /nfs/dbraw/zinc/14/60/50/1218146050.db2.gz RACPWEKIEWFLPL-UHFFFAOYSA-N -1 1 370.413 0.877 10 0 FCAEMM CC1CCC2(CC1)NC(=O)N(CC(=O)N=c1ccnc3n(C)[n-]cc1-3)C2=O ZINC000801703044 1218146461 /nfs/dbraw/zinc/14/64/61/1218146461.db2.gz GSBQGGUBTPDVMK-UHFFFAOYSA-N -1 1 370.413 0.781 10 0 FCAEMM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000781000287 1221044939 /nfs/dbraw/zinc/04/49/39/1221044939.db2.gz IEEUMGBBMUXAJD-ZDUSSCGKSA-N -1 1 359.382 0.517 10 0 FCAEMM O=C(NCCN1CCN(Cc2ccccc2)CC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693025302 1221128138 /nfs/dbraw/zinc/12/81/38/1221128138.db2.gz VELCGTBDHDMHPD-QAQDUYKDSA-N -1 1 360.458 0.967 10 0 FCAEMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798145084 1221279089 /nfs/dbraw/zinc/27/90/89/1221279089.db2.gz FUCQNJIBIOWHAT-FZMZJTMJSA-N -1 1 370.413 0.918 10 0 FCAEMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798145086 1221279638 /nfs/dbraw/zinc/27/96/38/1221279638.db2.gz FUCQNJIBIOWHAT-RISCZKNCSA-N -1 1 370.413 0.918 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)CCOC1 ZINC001118894572 1221841642 /nfs/dbraw/zinc/84/16/42/1221841642.db2.gz UJEJSWHWDNQINX-SFHVURJKSA-N -1 1 372.429 0.083 10 0 FCAEMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)C1 ZINC001119654438 1221945497 /nfs/dbraw/zinc/94/54/97/1221945497.db2.gz WXVZWHGHUXVOAS-WBVHZDCISA-N -1 1 368.474 0.857 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001138058372 1222476663 /nfs/dbraw/zinc/47/66/63/1222476663.db2.gz XGNNYKGMVMSQEZ-OHUAYANFSA-N -1 1 368.438 0.522 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001138057288 1222476930 /nfs/dbraw/zinc/47/69/30/1222476930.db2.gz KNPNQTOGOKMKOZ-OLUVUFQESA-N -1 1 373.335 0.573 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000832228753 1222524528 /nfs/dbraw/zinc/52/45/28/1222524528.db2.gz SHKFJHGUANXKMO-GUYCJALGSA-N -1 1 356.386 0.865 10 0 FCAEMM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000841406329 1222821541 /nfs/dbraw/zinc/82/15/41/1222821541.db2.gz WLKYZXWINLRFSO-UHFFFAOYSA-N -1 1 368.390 0.978 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)n[n-]1 ZINC001166126627 1223267825 /nfs/dbraw/zinc/26/78/25/1223267825.db2.gz MEZGHOAVLASIOB-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)[n-]1 ZINC001166126627 1223267830 /nfs/dbraw/zinc/26/78/30/1223267830.db2.gz MEZGHOAVLASIOB-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CC(c3ccccn3)=NO2)n1 ZINC001166126627 1223267834 /nfs/dbraw/zinc/26/78/34/1223267834.db2.gz MEZGHOAVLASIOB-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001166630322 1223283547 /nfs/dbraw/zinc/28/35/47/1223283547.db2.gz QOVPJHDORAPQQF-NSHDSACASA-N -1 1 365.386 0.086 10 0 FCAEMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000765574141 1245302617 /nfs/dbraw/zinc/30/26/17/1245302617.db2.gz FRRORDQFYZZYQD-LLVKDONJSA-N -1 1 366.422 0.721 10 0 FCAEMM COC(=O)C(C)(C)[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000766162555 1245306580 /nfs/dbraw/zinc/30/65/80/1245306580.db2.gz JKGKJVDQIWETHN-HNNXBMFYSA-N -1 1 373.409 0.983 10 0 FCAEMM CO[N-]C(=O)CNC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000921839085 1245653714 /nfs/dbraw/zinc/65/37/14/1245653714.db2.gz LKVKRWOIWVRHJW-DOTOQJQBSA-N -1 1 362.430 0.950 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940833205 1246394646 /nfs/dbraw/zinc/39/46/46/1246394646.db2.gz WWLYAXXXQGRNMO-ZIAGYGMSSA-N -1 1 369.425 0.999 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C[C@@H]2CCOC2)C[C@@H]1F ZINC001516133207 1265537543 /nfs/dbraw/zinc/53/75/43/1265537543.db2.gz RIUSZBIMXJBYCL-WOPDTQHZSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C[C@@H]2CCOC2)C[C@@H]1F ZINC001516133207 1265537552 /nfs/dbraw/zinc/53/75/52/1265537552.db2.gz RIUSZBIMXJBYCL-WOPDTQHZSA-N -1 1 350.402 0.603 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)c(=O)c2c(OC)c1 ZINC001331714927 1266272016 /nfs/dbraw/zinc/27/20/16/1266272016.db2.gz AYKJMZRSLVVVHB-IBGZPJMESA-N -1 1 371.393 0.898 10 0 FCAEMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC001331736052 1266275486 /nfs/dbraw/zinc/27/54/86/1266275486.db2.gz GRNLZEDJNAOQKJ-KDOFPFPSSA-N -1 1 367.398 0.813 10 0 FCAEMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC001262158042 1260271464 /nfs/dbraw/zinc/27/14/64/1260271464.db2.gz WJWVYXNVVLJYJH-KDOFPFPSSA-N -1 1 361.446 0.606 10 0 FCAEMM Cc1cccc(OCC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)c1 ZINC001264731056 1260405609 /nfs/dbraw/zinc/40/56/09/1260405609.db2.gz BKKPOAPTQOVDCH-HIFRSBDPSA-N -1 1 359.430 0.575 10 0 FCAEMM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001337718213 1260466898 /nfs/dbraw/zinc/46/68/98/1260466898.db2.gz DUFBXPNDZJKWTM-FRRDWIJNSA-N -1 1 361.423 0.859 10 0 FCAEMM CCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001522131032 1266360139 /nfs/dbraw/zinc/36/01/39/1266360139.db2.gz ZSKKKJRZLPONLP-AGIUHOORSA-N -1 1 360.414 0.565 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)n1cccc1 ZINC001281914873 1261282800 /nfs/dbraw/zinc/28/28/00/1261282800.db2.gz OZYHKLZTAMXVHY-GUTXKFCHSA-N -1 1 358.398 0.542 10 0 FCAEMM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3cnc[nH]3)C2)c1[O-] ZINC001282129915 1261348811 /nfs/dbraw/zinc/34/88/11/1261348811.db2.gz XZPQLUJEYVNJQL-NWDGAFQWSA-N -1 1 360.418 0.794 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001282138906 1261353968 /nfs/dbraw/zinc/35/39/68/1261353968.db2.gz ZRHXSRQGEUDMPV-RJAQEEFZSA-N -1 1 364.402 0.877 10 0 FCAEMM CC[C@@H](F)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001282145070 1261355648 /nfs/dbraw/zinc/35/56/48/1261355648.db2.gz LEXQAOUBKPGUKR-IVZWLZJFSA-N -1 1 370.381 0.659 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC(C)C)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282244273 1261388884 /nfs/dbraw/zinc/38/88/84/1261388884.db2.gz UZFGEGJMVLGENQ-WCQYABFASA-N -1 1 360.418 0.573 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCN1C(=O)CCCF ZINC001282266633 1261397526 /nfs/dbraw/zinc/39/75/26/1261397526.db2.gz OTOGOZPQCKBZJJ-VHSXEESVSA-N -1 1 370.381 0.755 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CCCC2)[n-]c1=O ZINC001472111668 1261438234 /nfs/dbraw/zinc/43/82/34/1261438234.db2.gz XLYWGJZDLSYYAP-LLVKDONJSA-N -1 1 363.418 0.867 10 0 FCAEMM COc1cnc(C2(NC(=O)c3nc4ncccn4n3)CCCC2)[n-]c1=O ZINC001472111922 1261438579 /nfs/dbraw/zinc/43/85/79/1261438579.db2.gz FRGXDHGDWWTSCU-UHFFFAOYSA-N -1 1 355.358 0.828 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CC(NC2COC2)C1 ZINC001472156772 1261445516 /nfs/dbraw/zinc/44/55/16/1261445516.db2.gz BNNVLHRNFIGLEN-UHFFFAOYSA-N -1 1 374.178 0.810 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](CO)C(F)(F)F ZINC001472230338 1261453416 /nfs/dbraw/zinc/45/34/16/1261453416.db2.gz KIEBRBXDXPRINL-SECBINFHSA-N -1 1 357.292 0.530 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(C)(C)[C@H](C)O ZINC001472240502 1261453785 /nfs/dbraw/zinc/45/37/85/1261453785.db2.gz FYUFWDRKRCDNBQ-ZDUSSCGKSA-N -1 1 366.462 0.783 10 0 FCAEMM CNC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282751650 1261609069 /nfs/dbraw/zinc/60/90/69/1261609069.db2.gz NOUDSDZNMZFMDX-MCIONIFRSA-N -1 1 374.441 0.955 10 0 FCAEMM CNC(=O)C1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCOCC1 ZINC001288878818 1262035559 /nfs/dbraw/zinc/03/55/59/1262035559.db2.gz CPHQZJXHHHLJCU-UHFFFAOYSA-N -1 1 361.402 0.006 10 0 FCAEMM COCCCOCC(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001289861065 1262359168 /nfs/dbraw/zinc/35/91/68/1262359168.db2.gz DAMPLUKQRRLFLZ-ZIAGYGMSSA-N -1 1 363.414 0.513 10 0 FCAEMM CCCC(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001290119950 1262383539 /nfs/dbraw/zinc/38/35/39/1262383539.db2.gz WGRFGKDUCRJUDW-QWHCGFSZSA-N -1 1 362.430 0.718 10 0 FCAEMM CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CC1 ZINC001291926643 1262613912 /nfs/dbraw/zinc/61/39/12/1262613912.db2.gz SVWGNZOORBHDMG-WOPDTQHZSA-N -1 1 358.398 0.175 10 0 FCAEMM O=C(Cn1cnc([N-]C(=O)c2ccnc3n[nH]nc32)n1)N1CCCCCC1 ZINC001292644820 1262699156 /nfs/dbraw/zinc/69/91/56/1262699156.db2.gz IYBXKZOKSNWVPA-UHFFFAOYSA-N -1 1 369.389 0.599 10 0 FCAEMM C[C@]1(C2CCN(C(=O)c3ccc4n[n-]c(=S)n4c3)CC2)NC(=O)NC1=O ZINC001294000192 1262725452 /nfs/dbraw/zinc/72/54/52/1262725452.db2.gz TWSHORDYOJZLCG-MRXNPFEDSA-N -1 1 374.426 0.468 10 0 FCAEMM CCOC(Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1)OCC ZINC001295409903 1262764368 /nfs/dbraw/zinc/76/43/68/1262764368.db2.gz AVOJVOWYRHHLOT-LBPRGKRZSA-N -1 1 363.422 0.815 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1nn[n-]n1 ZINC001296063641 1262788928 /nfs/dbraw/zinc/78/89/28/1262788928.db2.gz KHOVKYFQBOIKSS-ZBEGNZNMSA-N -1 1 368.438 0.788 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c(C)n1-c1ccn(C)n1 ZINC001296955654 1262843694 /nfs/dbraw/zinc/84/36/94/1262843694.db2.gz FFBOXHJOFAEKGI-UHFFFAOYSA-N -1 1 370.417 0.465 10 0 FCAEMM Cc1c(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)nnn1-c1ccc(C)cc1 ZINC001302137390 1263032922 /nfs/dbraw/zinc/03/29/22/1263032922.db2.gz NSVLGHQUMTZIES-OAHLLOKOSA-N -1 1 368.401 0.540 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCn1nnc2ccccc2c1=O ZINC001303199473 1263081420 /nfs/dbraw/zinc/08/14/20/1263081420.db2.gz HHTJEMJWANWATQ-UHFFFAOYSA-N -1 1 356.390 0.380 10 0 FCAEMM COC1([C@@H](C)NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOCC1 ZINC001478844211 1263149000 /nfs/dbraw/zinc/14/90/00/1263149000.db2.gz MLSRZGWQBUHLFF-LLVKDONJSA-N -1 1 366.418 0.638 10 0 FCAEMM C[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1nnnn1C1CC1 ZINC001479148069 1263171638 /nfs/dbraw/zinc/17/16/38/1263171638.db2.gz NRFSMSAJBPLHMI-MRVPVSSYSA-N -1 1 360.378 0.137 10 0 FCAEMM COC(=O)C[C@@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155852 1263172895 /nfs/dbraw/zinc/17/28/95/1263172895.db2.gz DGUNZFLZEZCFRS-JTQLQIEISA-N -1 1 350.375 0.492 10 0 FCAEMM COC(=O)CCCCCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155637 1263173179 /nfs/dbraw/zinc/17/31/79/1263173179.db2.gz ARFKCABTXODCKF-UHFFFAOYSA-N -1 1 352.391 0.788 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@H]1C1OCCO1 ZINC001479157970 1263173716 /nfs/dbraw/zinc/17/37/16/1263173716.db2.gz QNTCTLCHZLHNHO-LBPRGKRZSA-N -1 1 350.375 0.302 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@]1(O)CCc2ccccc21 ZINC001479158701 1263174113 /nfs/dbraw/zinc/17/41/13/1263174113.db2.gz UOKIKSBTIQXPTO-LJQANCHMSA-N -1 1 370.409 0.888 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](CCNCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001484540643 1263477950 /nfs/dbraw/zinc/47/79/50/1263477950.db2.gz XHDZVCMZFMTHRL-KWCYVHTRSA-N -1 1 359.434 0.376 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001318691690 1263600298 /nfs/dbraw/zinc/60/02/98/1263600298.db2.gz HJYVXGMYUIDPEY-ZDUSSCGKSA-N -1 1 355.398 0.832 10 0 FCAEMM C[C@H](CN(C)C(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001510663958 1264507562 /nfs/dbraw/zinc/50/75/62/1264507562.db2.gz NMEXYBYHBDWRQT-SNUQEOBHSA-N -1 1 362.430 0.080 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](O)C1(C)C ZINC001324725343 1264689329 /nfs/dbraw/zinc/68/93/29/1264689329.db2.gz UIHIDHPUJZLTSW-CQSZACIVSA-N -1 1 364.446 0.632 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)C(=O)[N-]OCC(C)C)cn2)CC1 ZINC001325540956 1264922118 /nfs/dbraw/zinc/92/21/18/1264922118.db2.gz USYGCBDWIUWADX-UHFFFAOYSA-N -1 1 363.462 0.544 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001513198901 1264955608 /nfs/dbraw/zinc/95/56/08/1264955608.db2.gz DJLCFDLIPVOCHY-ITSNTBJPSA-N -1 1 358.402 0.351 10 0 FCAEMM O=C([O-])CC[C@H](CN1CCOCC1)NCc1cnn(-c2ccccc2)n1 ZINC001333185755 1266549899 /nfs/dbraw/zinc/54/98/99/1266549899.db2.gz PRYNAIMPEORMJS-OAHLLOKOSA-N -1 1 359.430 0.923 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCC(=O)O3)c2)n1 ZINC001525076914 1266737720 /nfs/dbraw/zinc/73/77/20/1266737720.db2.gz BEBIMSRILLNHAQ-GFCCVEGCSA-N -1 1 358.354 0.970 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC001526711356 1266830637 /nfs/dbraw/zinc/83/06/37/1266830637.db2.gz KWMPPHTWRZRUDH-LLVKDONJSA-N -1 1 350.379 0.323 10 0 FCAEMM O=C([O-])c1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)n(-c2ccccc2)n1 ZINC001334222685 1266897176 /nfs/dbraw/zinc/89/71/76/1266897176.db2.gz LHRBYNJNUVLYIZ-UONOGXRCSA-N -1 1 356.382 0.462 10 0 FCAEMM CC(C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ncccc1[O-] ZINC001532848438 1267189648 /nfs/dbraw/zinc/18/96/48/1267189648.db2.gz UZWWRXLOHHXREH-AGIUHOORSA-N -1 1 362.430 0.559 10 0 FCAEMM Cc1nn2c(CN3CCN([C@@]4(C(=O)[O-])CCOC4)CC3)c(C)nc2s1 ZINC001334889842 1267220363 /nfs/dbraw/zinc/22/03/63/1267220363.db2.gz QRDOEZMVKUDEEA-INIZCTEOSA-N -1 1 365.459 0.769 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)C3CCC(S(C)(=O)=O)CC3)nc2n1 ZINC001533838537 1267241095 /nfs/dbraw/zinc/24/10/95/1267241095.db2.gz DLTPVYTXPDUVIM-UHFFFAOYSA-N -1 1 367.431 0.522 10 0 FCAEMM CC(C)c1nsc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)n1 ZINC001534190880 1267254074 /nfs/dbraw/zinc/25/40/74/1267254074.db2.gz ZHPNWPGYYFQIOT-UHFFFAOYSA-N -1 1 356.433 0.744 10 0 FCAEMM CCc1nc(CN2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)no1 ZINC001542944706 1267514894 /nfs/dbraw/zinc/51/48/94/1267514894.db2.gz HOEPYKLGGLYXTJ-UHFFFAOYSA-N -1 1 358.402 0.963 10 0 FCAEMM C[C@H](CN1CCN(C)CC1)NC(=O)c1ncc(Br)cc1[O-] ZINC001543079070 1267522860 /nfs/dbraw/zinc/52/28/60/1267522860.db2.gz HYPHIRYTZWDEPF-SNVBAGLBSA-N -1 1 357.252 0.915 10 0 FCAEMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001543804463 1267560805 /nfs/dbraw/zinc/56/08/05/1267560805.db2.gz QFWGGVAKMRJFMW-UHFFFAOYSA-N -1 1 355.358 0.950 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544959861 1267599832 /nfs/dbraw/zinc/59/98/32/1267599832.db2.gz YUXBPFRIFNISAV-SNVBAGLBSA-N -1 1 355.445 0.172 10 0 FCAEMM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001545875406 1267627637 /nfs/dbraw/zinc/62/76/37/1267627637.db2.gz VPGBLAOVZHKXMU-LLVKDONJSA-N -1 1 366.447 0.989 10 0 FCAEMM C=CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546114313 1267635956 /nfs/dbraw/zinc/63/59/56/1267635956.db2.gz FDFPXCKQKBFTED-UHFFFAOYSA-N -1 1 353.400 0.464 10 0 FCAEMM CCOC(=O)NCCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546113386 1267636207 /nfs/dbraw/zinc/63/62/07/1267636207.db2.gz XGBREPZRSRERPW-UHFFFAOYSA-N -1 1 371.415 0.908 10 0 FCAEMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001546284884 1267643833 /nfs/dbraw/zinc/64/38/33/1267643833.db2.gz HQASRBLUBDWVJD-NSHDSACASA-N -1 1 366.418 0.937 10 0 FCAEMM Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1C(N)=O ZINC001338387806 1267926091 /nfs/dbraw/zinc/92/60/91/1267926091.db2.gz RRTQWYYFPNISJM-AWEZNQCLSA-N -1 1 369.443 0.311 10 0 FCAEMM CN(C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)c1ncccc1[O-] ZINC001338660337 1268028513 /nfs/dbraw/zinc/02/85/13/1268028513.db2.gz TVEGREYHQPHTSC-JLNYLFASSA-N -1 1 363.414 0.246 10 0 FCAEMM CCN(CC(=O)[O-])C(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC001339453232 1268241418 /nfs/dbraw/zinc/24/14/18/1268241418.db2.gz CELMRGUJZGGVPP-UHFFFAOYSA-N -1 1 364.450 0.495 10 0 FCAEMM CN1CCN(C)[C@@H](CNC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])C1 ZINC001339509673 1268256564 /nfs/dbraw/zinc/25/65/64/1268256564.db2.gz NBXJAIAFUHGOAZ-HOCLYGCPSA-N -1 1 374.441 0.974 10 0 FCAEMM O=C(CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)N1CCCC1 ZINC001340900170 1268700117 /nfs/dbraw/zinc/70/01/17/1268700117.db2.gz OGRNAWLMYCTNRT-UHFFFAOYSA-N -1 1 355.341 0.068 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)n[n-]1 ZINC001557440080 1268947140 /nfs/dbraw/zinc/94/71/40/1268947140.db2.gz VKOHKQWWMQXVDX-SECBINFHSA-N -1 1 370.369 0.719 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)[n-]1 ZINC001557440080 1268947147 /nfs/dbraw/zinc/94/71/47/1268947147.db2.gz VKOHKQWWMQXVDX-SECBINFHSA-N -1 1 370.369 0.719 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc32)n1 ZINC001557440080 1268947157 /nfs/dbraw/zinc/94/71/57/1268947157.db2.gz VKOHKQWWMQXVDX-SECBINFHSA-N -1 1 370.369 0.719 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001558162537 1269036782 /nfs/dbraw/zinc/03/67/82/1269036782.db2.gz JZEDYYLCAJRILY-LBPRGKRZSA-N -1 1 370.417 0.523 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNC(=O)c1ccc(F)cc1F ZINC001558163762 1269041244 /nfs/dbraw/zinc/04/12/44/1269041244.db2.gz XFLOKJJRWGINKU-UHFFFAOYSA-N -1 1 352.345 0.893 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)c1nn[n-]n1 ZINC001558339573 1269068217 /nfs/dbraw/zinc/06/82/17/1269068217.db2.gz GZUQQCQIXZXMCN-ZWNOBZJWSA-N -1 1 362.365 0.504 10 0 FCAEMM COC[C@@H](NC(=O)c1cc(F)c(N2CCOCC2)c(F)c1)c1nn[n-]n1 ZINC001558339921 1269068931 /nfs/dbraw/zinc/06/89/31/1269068931.db2.gz QIILSPJSLPOLQF-GFCCVEGCSA-N -1 1 368.344 0.432 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)N[C@H](COC)c1nn[n-]n1 ZINC001558339901 1269068966 /nfs/dbraw/zinc/06/89/66/1269068966.db2.gz QAVYJHWNFQCHQU-LLVKDONJSA-N -1 1 353.404 0.040 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1c[nH]cc(I)c1=O ZINC001558395125 1269083360 /nfs/dbraw/zinc/08/33/60/1269083360.db2.gz NXLJSLFQQJVZLL-UHFFFAOYSA-N -1 1 360.115 0.064 10 0 FCAEMM CCOC(=O)[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)C1CCOCC1 ZINC001559731965 1269173399 /nfs/dbraw/zinc/17/33/99/1269173399.db2.gz DKPWYSZYYYCHOF-HNNXBMFYSA-N -1 1 351.403 0.703 10 0 FCAEMM Cc1nnc([C@@H]2CCCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)[nH]1 ZINC001565246940 1269459064 /nfs/dbraw/zinc/45/90/64/1269459064.db2.gz AEPHPHNXDVIQMI-LLVKDONJSA-N -1 1 373.417 0.771 10 0 FCAEMM CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565248591 1269459328 /nfs/dbraw/zinc/45/93/28/1269459328.db2.gz ZAPLOYGDFMQQSB-RISCZKNCSA-N -1 1 350.419 0.947 10 0 FCAEMM O=C(CNC(=O)c1ccccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614765 1269483148 /nfs/dbraw/zinc/48/31/48/1269483148.db2.gz ZZRGHHSEIVQLRG-NSHDSACASA-N -1 1 350.766 0.183 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCCCO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001566022109 1269560171 /nfs/dbraw/zinc/56/01/71/1269560171.db2.gz CHRJDFRYIXUTPU-SOUVJXGZSA-N -1 1 365.478 0.927 10 0 FCAEMM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC001567974960 1269715148 /nfs/dbraw/zinc/71/51/48/1269715148.db2.gz HLSOFEOBGCQYOV-SECBINFHSA-N -1 1 366.399 0.781 10 0 FCAEMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)nc1=O ZINC001569377594 1269780180 /nfs/dbraw/zinc/78/01/80/1269780180.db2.gz XWPYBDXUCNPFGI-KHYOSLBOSA-N -1 1 355.442 0.993 10 0 FCAEMM Cc1c(NC(=O)CCc2nn[n-]n2)cccc1S(=O)(=O)NC1CC1 ZINC001570012588 1269829616 /nfs/dbraw/zinc/82/96/16/1269829616.db2.gz PHIVCINAQBAHAG-UHFFFAOYSA-N -1 1 350.404 0.520 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COCc2cc[nH]c(=O)c2)c1 ZINC001570043798 1269834715 /nfs/dbraw/zinc/83/47/15/1269834715.db2.gz FHYGMBXFYBJKQU-UHFFFAOYSA-N -1 1 367.383 0.556 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1ccncc1 ZINC001343500576 1269927817 /nfs/dbraw/zinc/92/78/17/1269927817.db2.gz FZERCECFNBRVNV-XPKDYRNWSA-N -1 1 370.409 0.678 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3c(C)nc4ncnn4c3C)nc2n1 ZINC001343672260 1269978484 /nfs/dbraw/zinc/97/84/84/1269978484.db2.gz XEIYAXCCUACJGC-UHFFFAOYSA-N -1 1 367.373 0.352 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001572277349 1270021687 /nfs/dbraw/zinc/02/16/87/1270021687.db2.gz JDWQZQUIRLVGEP-BFHYXJOUSA-N -1 1 364.446 0.326 10 0 FCAEMM CC/C=C(/C)C(=O)N1CC[C@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]21 ZINC001572769966 1270122335 /nfs/dbraw/zinc/12/23/35/1270122335.db2.gz OSNJVMXMJKOKIE-LXJFZADGSA-N -1 1 370.413 0.447 10 0 FCAEMM O=C(/C=C\C1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001574304791 1271180065 /nfs/dbraw/zinc/18/00/65/1271180065.db2.gz HSFHXSSKHBXDEA-SHNZWPGYSA-N -1 1 372.425 0.141 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)Cc2ccc(C(N)=O)nc2)[n-]c1=O ZINC001603346852 1287359520 /nfs/dbraw/zinc/35/95/20/1287359520.db2.gz XKUZKLHRMVLIJL-LBPRGKRZSA-N -1 1 357.370 0.591 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001717266618 1287416477 /nfs/dbraw/zinc/41/64/77/1287416477.db2.gz ICUBNQIIRHVUQQ-CHWSQXEVSA-N -1 1 351.451 0.948 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1CCC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001718573857 1287522369 /nfs/dbraw/zinc/52/23/69/1287522369.db2.gz DARJIRQJSPXJBG-SNUQEOBHSA-N -1 1 362.430 0.080 10 0 FCAEMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001583856942 1282118226 /nfs/dbraw/zinc/11/82/26/1282118226.db2.gz JIIIXNLEUMBGSS-JHJVBQTASA-N -1 1 364.446 0.230 10 0 FCAEMM COC(OC)C(=O)N1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001632562066 1282186764 /nfs/dbraw/zinc/18/67/64/1282186764.db2.gz JIGCHZWXLZCWJV-UHFFFAOYSA-N -1 1 350.371 0.416 10 0 FCAEMM CCCOc1ccnc(CC(=O)N[C@@H](CCSC)c2nn[n-]n2)n1 ZINC001585197635 1282212529 /nfs/dbraw/zinc/21/25/29/1282212529.db2.gz XRWFEFHUYJLTHF-JTQLQIEISA-N -1 1 351.436 0.932 10 0 FCAEMM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001632980850 1282221738 /nfs/dbraw/zinc/22/17/38/1282221738.db2.gz ZQMBLDBWRNTBHI-ZDUSSCGKSA-N -1 1 367.421 0.830 10 0 FCAEMM CN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)c1nn[n-]n1 ZINC001585911097 1282255536 /nfs/dbraw/zinc/25/55/36/1282255536.db2.gz TWZVYSVTQVUPTO-UHFFFAOYSA-N -1 1 350.136 0.699 10 0 FCAEMM O=C(c1c[n-]n2c1nccc2=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001586139440 1282276718 /nfs/dbraw/zinc/27/67/18/1282276718.db2.gz VOPHTICJEGWGGX-AWEZNQCLSA-N -1 1 355.373 0.818 10 0 FCAEMM O=C(c1nnc(O)nc1O)N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC001586181711 1282279389 /nfs/dbraw/zinc/27/93/89/1282279389.db2.gz OVZPUGMOHCZEKJ-SSDOTTSWSA-N -1 1 363.403 0.518 10 0 FCAEMM O=C(C[C@H]1CCC2(CCOCC2)CO1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895528 1282281694 /nfs/dbraw/zinc/28/16/94/1282281694.db2.gz IFOXWNHDELHGTO-CYBMUJFWSA-N -1 1 365.434 0.376 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC1(C(=O)NCC2CC2)CCCC1 ZINC001634711480 1282349980 /nfs/dbraw/zinc/34/99/80/1282349980.db2.gz KZSIZRVEPDGORB-UHFFFAOYSA-N -1 1 360.414 0.472 10 0 FCAEMM CCC[C@H](NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001587598057 1282367635 /nfs/dbraw/zinc/36/76/35/1282367635.db2.gz PGQMPMWPIATUBO-CBAPKCEASA-N -1 1 369.476 0.822 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(O)(c2ccnn2C)C1 ZINC001588254364 1282412336 /nfs/dbraw/zinc/41/23/36/1282412336.db2.gz AXWKOXYHRSADMQ-UHFFFAOYSA-N -1 1 356.386 0.058 10 0 FCAEMM COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)CCCc1nn[n-]n1 ZINC001636123532 1282461542 /nfs/dbraw/zinc/46/15/42/1282461542.db2.gz RKXXMKIPMZHHBZ-QGZVFWFLSA-N -1 1 371.401 0.620 10 0 FCAEMM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322477 1282486273 /nfs/dbraw/zinc/48/62/73/1282486273.db2.gz RVGAQWCAJOFDEN-JTQLQIEISA-N -1 1 355.416 0.086 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1(C2CCCC2)CCNC1=O ZINC001636327781 1282487066 /nfs/dbraw/zinc/48/70/66/1282487066.db2.gz XGDQLLPJBBKRJE-GOSISDBHSA-N -1 1 360.414 0.568 10 0 FCAEMM COc1cc(C=O)ccc1OCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322331 1282487319 /nfs/dbraw/zinc/48/73/19/1282487319.db2.gz PCJAHCDNKOPVKX-UHFFFAOYSA-N -1 1 373.365 0.771 10 0 FCAEMM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C(=O)OC ZINC001637134907 1282566631 /nfs/dbraw/zinc/56/66/31/1282566631.db2.gz LZDOGTQGIUPRJI-NSHDSACASA-N -1 1 356.400 0.971 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCSC[C@@H]1CCO ZINC001637891421 1282634743 /nfs/dbraw/zinc/63/47/43/1282634743.db2.gz VRRWFZASLFTECI-JTQLQIEISA-N -1 1 354.432 0.264 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](CO)Cc1ccco1 ZINC001637891462 1282635642 /nfs/dbraw/zinc/63/56/42/1282635642.db2.gz WQNDCNYHHLUXKX-NSHDSACASA-N -1 1 362.386 0.498 10 0 FCAEMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cnncc2[O-])C1 ZINC001639779167 1282812725 /nfs/dbraw/zinc/81/27/25/1282812725.db2.gz NINWQYUTAAITPW-MRXNPFEDSA-N -1 1 352.391 0.674 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(C=O)n(C)n3)CC2)n1 ZINC001639810008 1282817169 /nfs/dbraw/zinc/81/71/69/1282817169.db2.gz PAEWMASNIUUSCI-UHFFFAOYSA-N -1 1 360.374 0.547 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CN2CCCCC(=O)C2=O)[n-]c1=O ZINC001640131954 1282841285 /nfs/dbraw/zinc/84/12/85/1282841285.db2.gz CTXNYJMEAPQMPP-LLVKDONJSA-N -1 1 362.386 0.436 10 0 FCAEMM C[C@]1(C[C@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)NC(=O)NC1=O ZINC001640483779 1282866554 /nfs/dbraw/zinc/86/65/54/1282866554.db2.gz SAWMLOXSXHEBHZ-BMLIUANNSA-N -1 1 359.386 0.652 10 0 FCAEMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001640613486 1282882445 /nfs/dbraw/zinc/88/24/45/1282882445.db2.gz VMOJROOPOXJYLV-SSDOTTSWSA-N -1 1 360.342 0.709 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1[nH]nc2nc(C(F)(F)F)ccc21 ZINC001640686792 1282889077 /nfs/dbraw/zinc/88/90/77/1282889077.db2.gz JYMSSJHCHCYQPT-UHFFFAOYSA-N -1 1 368.275 0.856 10 0 FCAEMM CN1Cc2ccccc2[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC001640729672 1282894989 /nfs/dbraw/zinc/89/49/89/1282894989.db2.gz RKCPWDAQQBYTTB-OAHLLOKOSA-N -1 1 354.366 0.347 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CO)c1cncn1C ZINC001641748319 1282973609 /nfs/dbraw/zinc/97/36/09/1282973609.db2.gz AGEXCXIBIBRALF-ZDUSSCGKSA-N -1 1 358.402 0.568 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)o1 ZINC001641891990 1282979216 /nfs/dbraw/zinc/97/92/16/1282979216.db2.gz ZKWVGBATWSNWFA-BXUZGUMPSA-N -1 1 360.432 0.220 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001680824125 1283449696 /nfs/dbraw/zinc/44/96/96/1283449696.db2.gz PBKZLORCUMXOPE-WFGGJUAMSA-N -1 1 363.414 0.151 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001702410915 1285651255 /nfs/dbraw/zinc/65/12/55/1285651255.db2.gz QHXSQKUPODEANG-JHJVBQTASA-N -1 1 360.414 0.375 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCC2CC2)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702688010 1285786396 /nfs/dbraw/zinc/78/63/96/1285786396.db2.gz JBUNGZNQTHDSQZ-OCCSQVGLSA-N -1 1 362.430 0.223 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001593759065 1286213972 /nfs/dbraw/zinc/21/39/72/1286213972.db2.gz QBXOULHUPICSLT-LLVKDONJSA-N -1 1 370.417 0.879 10 0 FCAEMM COc1ccc(OC)c(NC(=O)C(=O)N(Cc2nn[n-]n2)CC(C)C)c1 ZINC001593759251 1286214382 /nfs/dbraw/zinc/21/43/82/1286214382.db2.gz ZENYYEWRWHGXCM-UHFFFAOYSA-N -1 1 362.390 0.840 10 0 FCAEMM CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCc3nn[n-]n3)C[C@]2(C)C1 ZINC001594999092 1286237839 /nfs/dbraw/zinc/23/78/39/1286237839.db2.gz RXCTWIONEYFRKO-MEDUHNTESA-N -1 1 350.423 0.848 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCc4nncn4CC3)nc2n1 ZINC001595393067 1286246920 /nfs/dbraw/zinc/24/69/20/1286246920.db2.gz YSEHIEWFJUWGAE-SNVBAGLBSA-N -1 1 356.390 0.553 10 0 FCAEMM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948490 1286274184 /nfs/dbraw/zinc/27/41/84/1286274184.db2.gz OGUDUXUOHZBOIW-ZDUSSCGKSA-N -1 1 367.413 0.781 10 0 FCAEMM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595948489 1286274759 /nfs/dbraw/zinc/27/47/59/1286274759.db2.gz OGUDUXUOHZBOIW-CYBMUJFWSA-N -1 1 367.413 0.781 10 0 FCAEMM CC[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001704659982 1286277504 /nfs/dbraw/zinc/27/75/04/1286277504.db2.gz QGDRSNATMWMGLU-FHSNZYRGSA-N -1 1 362.430 0.128 10 0 FCAEMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)CNC(=O)c3ncccc3[O-])O2)[C@H]1C ZINC001596518124 1286306310 /nfs/dbraw/zinc/30/63/10/1286306310.db2.gz MTDCAXAEKNJRFX-PAKFGRKTSA-N -1 1 363.414 0.606 10 0 FCAEMM CC[C@@H](NC(=O)CCc1nn[n-]n1)c1ccccc1OCC(=O)N(C)C ZINC001596599453 1286309141 /nfs/dbraw/zinc/30/91/41/1286309141.db2.gz ZUNFAGFOBLVOMR-CYBMUJFWSA-N -1 1 360.418 0.867 10 0 FCAEMM O=C(CCn1ccnn1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001719444696 1288119098 /nfs/dbraw/zinc/11/90/98/1288119098.db2.gz IDKAQEVPTAWOHQ-QWHCGFSZSA-N -1 1 358.402 0.484 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001720288731 1288219575 /nfs/dbraw/zinc/21/95/75/1288219575.db2.gz NBWLXMKJTZYSEE-QLFBSQMISA-N -1 1 374.441 0.152 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)n[n-]1 ZINC001611155361 1289633755 /nfs/dbraw/zinc/63/37/55/1289633755.db2.gz ZKMXVZVQXVENDR-SECBINFHSA-N -1 1 361.333 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)n1 ZINC001611155361 1289633761 /nfs/dbraw/zinc/63/37/61/1289633761.db2.gz ZKMXVZVQXVENDR-SECBINFHSA-N -1 1 361.333 0.863 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC001611447132 1289650141 /nfs/dbraw/zinc/65/01/41/1289650141.db2.gz DJATXCOWNFQIIC-WZRBSPASSA-N -1 1 372.443 0.890 10 0 FCAEMM CN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1C[NH+]2CCC1CC2 ZINC001614992135 1289750174 /nfs/dbraw/zinc/75/01/74/1289750174.db2.gz MZLOFPPOAOGTEZ-AWEZNQCLSA-N -1 1 373.425 0.796 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H]1CCCC1=O ZINC001616685168 1289788027 /nfs/dbraw/zinc/78/80/27/1289788027.db2.gz MQKITSQIHVYYGZ-CYBMUJFWSA-N -1 1 362.430 0.745 10 0 FCAEMM CCS(=O)(=O)N(C)C1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001616884971 1289798637 /nfs/dbraw/zinc/79/86/37/1289798637.db2.gz QZFNCGDQWCRXDP-UHFFFAOYSA-N -1 1 374.488 0.665 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)n1 ZINC001618409407 1289904530 /nfs/dbraw/zinc/90/45/30/1289904530.db2.gz PMBTVFVTZUWKQX-QGZVFWFLSA-N -1 1 363.418 0.604 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001702254106 1289916488 /nfs/dbraw/zinc/91/64/88/1289916488.db2.gz WHZHBBSVGKETHI-STFJZOTBSA-N -1 1 350.375 0.439 10 0 FCAEMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001618656628 1289926729 /nfs/dbraw/zinc/92/67/29/1289926729.db2.gz YVPIVBOAMDXAAX-KRWDZBQOSA-N -1 1 358.329 0.894 10 0 FCAEMM CO[C@@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001702303593 1289994792 /nfs/dbraw/zinc/99/47/92/1289994792.db2.gz PKVWSYXHFICTKQ-OUCADQQQSA-N -1 1 351.403 0.558 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)n1cccc1 ZINC001739448721 1290012453 /nfs/dbraw/zinc/01/24/53/1290012453.db2.gz OZYHKLZTAMXVHY-GZBFAFLISA-N -1 1 358.398 0.542 10 0 FCAEMM CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001620647972 1290013349 /nfs/dbraw/zinc/01/33/49/1290013349.db2.gz IVQMAFQSJJYFNN-LLVKDONJSA-N -1 1 352.391 0.349 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001739505628 1290080915 /nfs/dbraw/zinc/08/09/15/1290080915.db2.gz RTECURPCGAEGOR-BFHYXJOUSA-N -1 1 364.446 0.326 10 0 FCAEMM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC001623653770 1290227924 /nfs/dbraw/zinc/22/79/24/1290227924.db2.gz KGZQMCORBIXXQQ-VIFPVBQESA-N -1 1 350.404 0.205 10 0 FCAEMM Cc1nc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1-c1cnn(C)c1 ZINC001624774965 1290296099 /nfs/dbraw/zinc/29/60/99/1290296099.db2.gz YYTNWSULLPVUTO-UHFFFAOYSA-N -1 1 354.370 0.669 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC001624959431 1290310861 /nfs/dbraw/zinc/31/08/61/1290310861.db2.gz ZBWNERBWOFSDSF-LBPRGKRZSA-N -1 1 358.329 0.188 10 0 FCAEMM O=C([C@H]1Cc2cc(F)ccc2NC1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001625612201 1290356570 /nfs/dbraw/zinc/35/65/70/1290356570.db2.gz ZTXZUTVRTOSDDX-JQWIXIFHSA-N -1 1 362.390 0.766 10 0 FCAEMM CC[C@@]1(c2ccc(NC(=O)CCc3nn[n-]n3)cc2)CCC(=O)NC1=O ZINC001626664134 1290409773 /nfs/dbraw/zinc/40/97/73/1290409773.db2.gz UESHCVFFGAYSLI-KRWDZBQOSA-N -1 1 356.386 0.855 10 0 FCAEMM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001627165364 1290443496 /nfs/dbraw/zinc/44/34/96/1290443496.db2.gz BLOFRVIHWCCLEO-MNOVXSKESA-N -1 1 370.410 0.029 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001739973818 1290455098 /nfs/dbraw/zinc/45/50/98/1290455098.db2.gz LRTSMPYOYZULNM-CKFHNAJUSA-N -1 1 359.426 0.917 10 0 FCAEMM CC=C(C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)n1 ZINC001739983709 1290458381 /nfs/dbraw/zinc/45/83/81/1290458381.db2.gz UEXFACUIMRBLSM-MXUOJZLISA-N -1 1 370.413 0.908 10 0 FCAEMM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001627707802 1290479483 /nfs/dbraw/zinc/47/94/83/1290479483.db2.gz XNPHKTGEJHXIKV-GFCCVEGCSA-N -1 1 353.318 0.690 10 0 FCAEMM CN1CCN(C(=O)CCNC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001628308060 1290524151 /nfs/dbraw/zinc/52/41/51/1290524151.db2.gz XHNGUYOCQXYUBI-UHFFFAOYSA-N -1 1 360.389 0.973 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)COc2c(C)nn(C)c2C)n[n-]1 ZINC001629028587 1290569860 /nfs/dbraw/zinc/56/98/60/1290569860.db2.gz BUVUPTFUZXGXND-VIFPVBQESA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)COc2c(C)nn(C)c2C)[n-]1 ZINC001629028587 1290569863 /nfs/dbraw/zinc/56/98/63/1290569863.db2.gz BUVUPTFUZXGXND-VIFPVBQESA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COc2c(C)nn(C)c2C)n1 ZINC001629028587 1290569869 /nfs/dbraw/zinc/56/98/69/1290569869.db2.gz BUVUPTFUZXGXND-VIFPVBQESA-N -1 1 350.379 0.588 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)n[n-]1 ZINC001629030467 1290570684 /nfs/dbraw/zinc/57/06/84/1290570684.db2.gz ZHVLQQRVVOBOII-QLJPJBMISA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)[n-]1 ZINC001629030467 1290570689 /nfs/dbraw/zinc/57/06/89/1290570689.db2.gz ZHVLQQRVVOBOII-QLJPJBMISA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@]2(CC(C)C)CCNC2=O)n1 ZINC001629030467 1290570697 /nfs/dbraw/zinc/57/06/97/1290570697.db2.gz ZHVLQQRVVOBOII-QLJPJBMISA-N -1 1 351.407 0.711 10 0 FCAEMM C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C1(N2CCOCC2)CCCC1 ZINC001629078870 1290575525 /nfs/dbraw/zinc/57/55/25/1290575525.db2.gz DAHGTVWHFGCXKD-ZDUSSCGKSA-N -1 1 367.450 0.619 10 0 FCAEMM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001643192993 1290858855 /nfs/dbraw/zinc/85/88/55/1290858855.db2.gz XDIPMRIHKDWTRG-QWHCGFSZSA-N -1 1 360.349 0.292 10 0 FCAEMM CC(C)(C)OC(=O)NC1(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001643241896 1290865597 /nfs/dbraw/zinc/86/55/97/1290865597.db2.gz UWCXNFLPIPLTGU-UHFFFAOYSA-N -1 1 364.402 0.928 10 0 FCAEMM CCO[C@H]1COCC[C@H]1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244472 1290867497 /nfs/dbraw/zinc/86/74/97/1290867497.db2.gz QQUGBAMWADXAGA-FZMZJTMJSA-N -1 1 351.403 0.703 10 0 FCAEMM Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643390942 1290883475 /nfs/dbraw/zinc/88/34/75/1290883475.db2.gz IBPURHIMZKGLBF-VIFPVBQESA-N -1 1 362.394 0.910 10 0 FCAEMM Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643390941 1290884206 /nfs/dbraw/zinc/88/42/06/1290884206.db2.gz IBPURHIMZKGLBF-SECBINFHSA-N -1 1 362.394 0.910 10 0 FCAEMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)(F)F ZINC001643727363 1290911531 /nfs/dbraw/zinc/91/15/31/1290911531.db2.gz VSVRKPJTTGTGNI-UHFFFAOYSA-N -1 1 367.374 0.454 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001643821110 1290918418 /nfs/dbraw/zinc/91/84/18/1290918418.db2.gz TVYDLLORWPXTSA-UHFFFAOYSA-N -1 1 363.422 0.439 10 0 FCAEMM C[C@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)N1CSCCSC1 ZINC001644156024 1290944869 /nfs/dbraw/zinc/94/48/69/1290944869.db2.gz CYSJKSZJTXIDHB-SNVBAGLBSA-N -1 1 370.500 0.957 10 0 FCAEMM O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001644299361 1290953528 /nfs/dbraw/zinc/95/35/28/1290953528.db2.gz NQFUJRJTUPUHKD-SSDOTTSWSA-N -1 1 370.200 0.647 10 0 FCAEMM NS(=O)(=O)C[C@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001645990991 1291051693 /nfs/dbraw/zinc/05/16/93/1291051693.db2.gz HZCRZVFYGNTRGV-VIFPVBQESA-N -1 1 353.375 0.830 10 0 FCAEMM CSCC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1nn[n-]n1 ZINC001646037907 1291056153 /nfs/dbraw/zinc/05/61/53/1291056153.db2.gz XXZRDNMBAOFRJF-LBPRGKRZSA-N -1 1 374.426 0.796 10 0 FCAEMM CSCC[C@H](NC(=O)COCCNC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001646037234 1291056464 /nfs/dbraw/zinc/05/64/64/1291056464.db2.gz PXSDMLPNHKWQDW-JTQLQIEISA-N -1 1 374.467 0.651 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CNC(=O)NCc2ccco2)[n-]c1=O ZINC001646345264 1291064515 /nfs/dbraw/zinc/06/45/15/1291064515.db2.gz GECCDOSCZQGBFG-UHFFFAOYSA-N -1 1 363.374 0.635 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001647899189 1291081846 /nfs/dbraw/zinc/08/18/46/1291081846.db2.gz BFOZISCTUDAEKN-CFVMTHIKSA-N -1 1 358.398 0.486 10 0 FCAEMM COc1cnc([C@@H]2CCCN2CC(=O)NCC(=O)N2CCCC2)[n-]c1=O ZINC001648550662 1291129373 /nfs/dbraw/zinc/12/93/73/1291129373.db2.gz MKYKCKAXZATCSP-LBPRGKRZSA-N -1 1 363.418 0.066 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccccc1OCC(=O)N(C)C ZINC001651180774 1291202760 /nfs/dbraw/zinc/20/27/60/1291202760.db2.gz MZGZGQYIGHLNKF-UHFFFAOYSA-N -1 1 360.418 0.965 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(O)cc2)[n-]c1=O ZINC001651254257 1291212534 /nfs/dbraw/zinc/21/25/34/1291212534.db2.gz FSNYDCVAIMEFAB-CYBMUJFWSA-N -1 1 372.381 0.990 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@H](Nc1cc(Cl)[n-]c(=O)n1)CCS2(=O)=O ZINC001651487435 1291224646 /nfs/dbraw/zinc/22/46/46/1291224646.db2.gz NNJLXGMIBPLTKG-LPATWVRLSA-N -1 1 360.823 0.459 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688203 1291233052 /nfs/dbraw/zinc/23/30/52/1291233052.db2.gz LGIJGOCRNRNULX-SNVBAGLBSA-N -1 1 363.374 0.184 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688203 1291233061 /nfs/dbraw/zinc/23/30/61/1291233061.db2.gz LGIJGOCRNRNULX-SNVBAGLBSA-N -1 1 363.374 0.184 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688203 1291233067 /nfs/dbraw/zinc/23/30/67/1291233067.db2.gz LGIJGOCRNRNULX-SNVBAGLBSA-N -1 1 363.374 0.184 10 0 FCAEMM COC[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1N)c1nn[n-]n1 ZINC001651846355 1291242793 /nfs/dbraw/zinc/24/27/93/1291242793.db2.gz ALXYVJDDUVZFCI-GFCCVEGCSA-N -1 1 356.390 0.453 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC001651846534 1291243260 /nfs/dbraw/zinc/24/32/60/1291243260.db2.gz GCPMITFZJCUZAB-KOLCDFICSA-N -1 1 368.191 0.770 10 0 FCAEMM CCC1(Cn2cc(C(=O)N3CCC[C@@H](Cc4nn[n-]n4)C3)nn2)COC1 ZINC001651875463 1291247947 /nfs/dbraw/zinc/24/79/47/1291247947.db2.gz YNOOWWCXPGVARG-LBPRGKRZSA-N -1 1 360.422 0.313 10 0 FCAEMM CN(CC(=O)NCCC1=CCCCC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001652512975 1291282052 /nfs/dbraw/zinc/28/20/52/1291282052.db2.gz XGUDSXDQTFXPHL-UHFFFAOYSA-N -1 1 362.430 0.392 10 0 FCAEMM NS(=O)(=O)CC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001654294912 1291404830 /nfs/dbraw/zinc/40/48/30/1291404830.db2.gz NJDUZRXEPBQDER-UHFFFAOYSA-N -1 1 355.445 0.159 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)n[n-]1 ZINC001654490340 1291414089 /nfs/dbraw/zinc/41/40/89/1291414089.db2.gz OIFCWCNJSYNASC-SECBINFHSA-N -1 1 355.395 0.901 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)n1 ZINC001654490340 1291414095 /nfs/dbraw/zinc/41/40/95/1291414095.db2.gz OIFCWCNJSYNASC-SECBINFHSA-N -1 1 355.395 0.901 10 0 FCAEMM CCc1cc2c(CN3CC(=O)N(C)C[C@@H]3C(=O)OC)cc(=O)oc2cc1[O-] ZINC001655005664 1291449115 /nfs/dbraw/zinc/44/91/15/1291449115.db2.gz TUAZLNPMTKOAEJ-CQSZACIVSA-N -1 1 374.393 0.877 10 0 FCAEMM CCc1cc2c(CN3CC(=O)N(C)C[C@H]3C(=O)OC)cc(=O)oc2cc1[O-] ZINC001655005662 1291449732 /nfs/dbraw/zinc/44/97/32/1291449732.db2.gz TUAZLNPMTKOAEJ-AWEZNQCLSA-N -1 1 374.393 0.877 10 0 FCAEMM CC(C)OC[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001684758553 1292328960 /nfs/dbraw/zinc/32/89/60/1292328960.db2.gz ZWKSXGKTHNXCSG-GFCCVEGCSA-N -1 1 366.418 0.590 10 0 FCAEMM CCOCC(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001684867567 1292347108 /nfs/dbraw/zinc/34/71/08/1292347108.db2.gz VSFUFSHZVFEVJP-VHSXEESVSA-N -1 1 368.390 0.042 10 0 FCAEMM O=C(NC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)c1ncccc1[O-] ZINC001687944297 1293029801 /nfs/dbraw/zinc/02/98/01/1293029801.db2.gz VZLGSRQBJRJDPA-NJDKBYOKSA-N -1 1 357.410 0.835 10 0 FCAEMM O=C(COC(=O)c1c([O-])cc(F)cc1F)NCCCN1CCCC1=O ZINC000749280427 836353615 /nfs/dbraw/zinc/35/36/15/836353615.db2.gz ROCPVAXSPWWHGH-UHFFFAOYSA-N -1 1 356.325 0.956 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000750240046 836412868 /nfs/dbraw/zinc/41/28/68/836412868.db2.gz ROAVNZSCDYRXBE-UHFFFAOYSA-N -1 1 359.408 0.404 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000750240046 836412873 /nfs/dbraw/zinc/41/28/73/836412873.db2.gz ROAVNZSCDYRXBE-UHFFFAOYSA-N -1 1 359.408 0.404 10 0 FCAEMM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)CN2CCC(CO)CC2)c1 ZINC001123388662 848590100 /nfs/dbraw/zinc/59/01/00/848590100.db2.gz FRMKJEZJGCFERW-KRWDZBQOSA-N -1 1 350.415 0.984 10 0 FCAEMM CNC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC001129906037 848913538 /nfs/dbraw/zinc/91/35/38/848913538.db2.gz VITOARSRIBSIKN-JTQLQIEISA-N -1 1 357.432 0.565 10 0 FCAEMM COCCNC(=O)CN1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC001135917901 849203671 /nfs/dbraw/zinc/20/36/71/849203671.db2.gz AUFSRDUYQLONFQ-UHFFFAOYSA-N -1 1 357.357 0.191 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001137822148 849286660 /nfs/dbraw/zinc/28/66/60/849286660.db2.gz LERARKSDDCCXMT-SUMWQHHRSA-N -1 1 367.423 0.979 10 0 FCAEMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001139657040 849344512 /nfs/dbraw/zinc/34/45/12/849344512.db2.gz FDHOGLXWBRIJHC-GHMZBOCLSA-N -1 1 357.432 0.390 10 0 FCAEMM CN=[S@@](C)(=O)CCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001149042837 849626874 /nfs/dbraw/zinc/62/68/74/849626874.db2.gz JMQFNKHIRVMARL-VWLOTQADSA-N -1 1 363.443 0.939 10 0 FCAEMM CN(C(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001149220336 849633438 /nfs/dbraw/zinc/63/34/38/849633438.db2.gz WLXCMOOAOKKANY-RUZDIDTESA-N -1 1 372.451 0.311 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(Br)cnn2C)n[n-]1 ZINC001166126984 850461572 /nfs/dbraw/zinc/46/15/72/850461572.db2.gz NRJFFUACKGPSKH-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(Br)cnn2C)[n-]1 ZINC001166126984 850461579 /nfs/dbraw/zinc/46/15/79/850461579.db2.gz NRJFFUACKGPSKH-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(Br)cnn2C)n1 ZINC001166126984 850461583 /nfs/dbraw/zinc/46/15/83/850461583.db2.gz NRJFFUACKGPSKH-ZCFIWIBFSA-N -1 1 371.195 0.968 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001175213837 850756961 /nfs/dbraw/zinc/75/69/61/850756961.db2.gz HYZMMYYEHVDQEU-UHFFFAOYSA-N -1 1 363.399 0.711 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC(O)(c3cnnn3C)C2)c(=O)[n-]1 ZINC001175715670 850772425 /nfs/dbraw/zinc/77/24/25/850772425.db2.gz JJUKNPQIEFIEMA-UHFFFAOYSA-N -1 1 364.431 0.004 10 0 FCAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001176726055 850800280 /nfs/dbraw/zinc/80/02/80/850800280.db2.gz OKGPQRIIDNHNJR-SECBINFHSA-N -1 1 353.379 0.697 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@@H]2C=CS(=O)(=O)C2)[n-]c1=O ZINC001180058658 851011085 /nfs/dbraw/zinc/01/10/85/851011085.db2.gz AOJPMKBDFWISCD-QWRGUYRKSA-N -1 1 353.400 0.803 10 0 FCAEMM CSC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001279181410 862711758 /nfs/dbraw/zinc/71/17/58/862711758.db2.gz TWBNVGXQXBGDBW-KXUCPTDWSA-N -1 1 352.420 0.069 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC[C@H]3CC3(Cl)Cl)ccnc1-2 ZINC001261764041 858659741 /nfs/dbraw/zinc/65/97/41/858659741.db2.gz SYUPTZVKKFOCOY-QMMMGPOBSA-N -1 1 356.213 0.980 10 0 FCAEMM COCC(=O)NCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001261880631 858699581 /nfs/dbraw/zinc/69/95/81/858699581.db2.gz JIIVVJBQJOWRKL-UHFFFAOYSA-N -1 1 369.849 0.843 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001263947876 859252768 /nfs/dbraw/zinc/25/27/68/859252768.db2.gz GUQXANHDMICSLZ-KRWDZBQOSA-N -1 1 350.419 0.133 10 0 FCAEMM CC(C)COCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001281883954 863882708 /nfs/dbraw/zinc/88/27/08/863882708.db2.gz USDRAPDGVCYYFZ-OCCSQVGLSA-N -1 1 351.403 0.151 10 0 FCAEMM CC(C)CC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001282368507 864225649 /nfs/dbraw/zinc/22/56/49/864225649.db2.gz YCKYBBFFVRLLAW-OLZOCXBDSA-N -1 1 350.419 0.078 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001290861591 865533525 /nfs/dbraw/zinc/53/35/25/865533525.db2.gz WLAQRNNAUFGPGY-VIFPVBQESA-N -1 1 360.461 0.181 10 0 FCAEMM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001290945740 865567156 /nfs/dbraw/zinc/56/71/56/865567156.db2.gz PFCFMRGQHFBEJM-GRYCIOLGSA-N -1 1 369.443 0.045 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC001292406173 865741367 /nfs/dbraw/zinc/74/13/67/865741367.db2.gz JIIOANQHXGPCDM-UHFFFAOYSA-N -1 1 368.440 0.488 10 0 FCAEMM Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCc2nn[n-]n2)s1 ZINC001292846926 865757282 /nfs/dbraw/zinc/75/72/82/865757282.db2.gz QNXDUUJORLPLAG-MRVPVSSYSA-N -1 1 353.433 0.437 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC001292888467 865760582 /nfs/dbraw/zinc/76/05/82/865760582.db2.gz LNUARMATHUZHQF-UHFFFAOYSA-N -1 1 360.461 0.229 10 0 FCAEMM C[C@@H](OCc1ccncc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001295509504 865901540 /nfs/dbraw/zinc/90/15/40/865901540.db2.gz PNMJODFPMKWXRE-SNVBAGLBSA-N -1 1 351.384 0.978 10 0 FCAEMM CC(=O)NC1CCC(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC001295509249 865901988 /nfs/dbraw/zinc/90/19/88/865901988.db2.gz NWUUIMBJQZMCMU-UHFFFAOYSA-N -1 1 355.416 0.673 10 0 FCAEMM NC(=O)C1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCC1 ZINC001295520226 865902872 /nfs/dbraw/zinc/90/28/72/865902872.db2.gz PZGFGSHGERQXRP-UHFFFAOYSA-N -1 1 353.400 0.427 10 0 FCAEMM O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001296689071 865984805 /nfs/dbraw/zinc/98/48/05/865984805.db2.gz ZQKVTSORWGELEH-CSMHCCOUSA-N -1 1 364.353 0.273 10 0 FCAEMM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCN1CCC(O)CC1 ZINC001298013599 866079803 /nfs/dbraw/zinc/07/98/03/866079803.db2.gz PCPOFOGLVOXQPR-UHFFFAOYSA-N -1 1 362.455 0.258 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cnn(CCOC)c2C)n[n-]1 ZINC001300604192 866230612 /nfs/dbraw/zinc/23/06/12/866230612.db2.gz XRIMXWDUXITSOB-SECBINFHSA-N -1 1 350.379 0.624 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cnn(CCOC)c2C)[n-]1 ZINC001300604192 866230623 /nfs/dbraw/zinc/23/06/23/866230623.db2.gz XRIMXWDUXITSOB-SECBINFHSA-N -1 1 350.379 0.624 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cnn(CCOC)c2C)n1 ZINC001300604192 866230640 /nfs/dbraw/zinc/23/06/40/866230640.db2.gz XRIMXWDUXITSOB-SECBINFHSA-N -1 1 350.379 0.624 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300818941 866237622 /nfs/dbraw/zinc/23/76/22/866237622.db2.gz BBEMEMRNJJDNAM-ZDUSSCGKSA-N -1 1 364.431 0.565 10 0 FCAEMM CS(=O)(=O)CC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)COC1 ZINC001301708642 866285231 /nfs/dbraw/zinc/28/52/31/866285231.db2.gz CECBWXLMDKQNHR-UHFFFAOYSA-N -1 1 351.384 0.578 10 0 FCAEMM CCN1CCO[C@@H](C(=O)NC2(c3ncc(OC)c(=O)[n-]3)CCCC2)C1 ZINC001350772164 866686052 /nfs/dbraw/zinc/68/60/52/866686052.db2.gz CRUFJFQOKJLXBP-CYBMUJFWSA-N -1 1 350.419 0.797 10 0 FCAEMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001351738030 866955670 /nfs/dbraw/zinc/95/56/70/866955670.db2.gz XCHWXMXZIMXSGM-UHFFFAOYSA-N -1 1 370.353 0.220 10 0 FCAEMM CC1(/C=C\C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001354062376 867543048 /nfs/dbraw/zinc/54/30/48/867543048.db2.gz ZZWMHAZIICCWIT-LHRDXKRPSA-N -1 1 352.431 0.747 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)n1 ZINC001318154605 867615185 /nfs/dbraw/zinc/61/51/85/867615185.db2.gz PGEFQOVHTOGSSX-UHFFFAOYSA-N -1 1 370.435 0.075 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)[n-]1 ZINC001318154605 867615193 /nfs/dbraw/zinc/61/51/93/867615193.db2.gz PGEFQOVHTOGSSX-UHFFFAOYSA-N -1 1 370.435 0.075 10 0 FCAEMM CCN(CC)C(=O)CNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001354558418 867625458 /nfs/dbraw/zinc/62/54/58/867625458.db2.gz NSTPPRMVDWHXQZ-UHFFFAOYSA-N -1 1 357.357 0.314 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2c[nH]c(=O)c(Br)c2)n1 ZINC001318764828 867744512 /nfs/dbraw/zinc/74/45/12/867744512.db2.gz MBZDBQDNHDYLGB-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c[nH]c(=O)c(Br)c2)[n-]1 ZINC001318764828 867744519 /nfs/dbraw/zinc/74/45/19/867744519.db2.gz MBZDBQDNHDYLGB-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC001319813196 868009349 /nfs/dbraw/zinc/00/93/49/868009349.db2.gz WNMMFLPHBXGLJH-LBPRGKRZSA-N -1 1 350.404 0.008 10 0 FCAEMM COC1(C)CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001344224351 870773375 /nfs/dbraw/zinc/77/33/75/870773375.db2.gz GFRZBFNYVULRDK-VIFPVBQESA-N -1 1 353.814 0.978 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCCCO2)CCS1 ZINC001344251126 870783200 /nfs/dbraw/zinc/78/32/00/870783200.db2.gz GONYKBCYYLLHFH-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCCCO2)CCS1 ZINC001344251126 870783213 /nfs/dbraw/zinc/78/32/13/870783213.db2.gz GONYKBCYYLLHFH-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM COC(=O)c1c[nH]c(=O)c([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1 ZINC001327385364 870832232 /nfs/dbraw/zinc/83/22/32/870832232.db2.gz BPUVATSWWHJOKP-SKDRFNHKSA-N -1 1 360.388 0.367 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCS(=O)(=O)C3CCCC3)nc2n1 ZINC001327647236 870993203 /nfs/dbraw/zinc/99/32/03/870993203.db2.gz MOZRURVTENMAIZ-UHFFFAOYSA-N -1 1 353.404 0.412 10 0 FCAEMM CCCCC(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001345492252 871376163 /nfs/dbraw/zinc/37/61/63/871376163.db2.gz HIEBGNQUMRMCHZ-OLZOCXBDSA-N -1 1 350.419 0.223 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1)c1ccnn1C ZINC001345762492 871483708 /nfs/dbraw/zinc/48/37/08/871483708.db2.gz KWWUNZYCZNVDBY-SNVBAGLBSA-N -1 1 366.321 0.960 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001329110312 871827378 /nfs/dbraw/zinc/82/73/78/871827378.db2.gz IAQUMHAXIVHAFW-UHFFFAOYSA-N -1 1 356.404 0.012 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)CCOC1 ZINC001329209534 871888584 /nfs/dbraw/zinc/88/85/84/871888584.db2.gz ZTEILGYYQVUPRM-RDJZCZTQSA-N -1 1 356.369 0.860 10 0 FCAEMM O=C([N-]CC1CN(S(=O)(=O)c2cnc3n2CCC3)C1)C(F)(F)F ZINC001329931505 872371119 /nfs/dbraw/zinc/37/11/19/872371119.db2.gz GTNCGUSTMYMJQV-UHFFFAOYSA-N -1 1 352.338 0.128 10 0 FCAEMM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001347671903 872445755 /nfs/dbraw/zinc/44/57/55/872445755.db2.gz MPGJJMRICOOXBA-NXEZZACHSA-N -1 1 360.340 0.392 10 0 FCAEMM CC[C@@H](C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)N1CCO[C@H](CC)C1 ZINC001348165367 872614806 /nfs/dbraw/zinc/61/48/06/872614806.db2.gz KYOWXWDFHIQMJU-ZNMIVQPWSA-N -1 1 350.467 0.870 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC001330674340 872758451 /nfs/dbraw/zinc/75/84/51/872758451.db2.gz HWLGKCJCYDGJIE-CQSZACIVSA-N -1 1 368.411 0.574 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN(CCc2cnccn2)CC1 ZINC001348928718 872831625 /nfs/dbraw/zinc/83/16/25/872831625.db2.gz MGEJBVRQILYARA-UHFFFAOYSA-N -1 1 360.443 0.570 10 0 FCAEMM Cc1ncsc1/C=C/C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001332629510 873588973 /nfs/dbraw/zinc/58/89/73/873588973.db2.gz RFKXGTICCAMWPX-WOMSROEHSA-N -1 1 351.428 0.853 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)Cc3[nH]nc4ccccc43)CC2)CCOC1 ZINC000886097249 980212203 /nfs/dbraw/zinc/21/22/03/980212203.db2.gz WLXCTACUQYVSGY-GOSISDBHSA-N -1 1 358.398 0.493 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000930582989 674041844 /nfs/dbraw/zinc/04/18/44/674041844.db2.gz SMJGPCIHNDADKD-BONVTDFDSA-N -1 1 356.369 0.996 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)nc1=O ZINC000333008088 215223577 /nfs/dbraw/zinc/22/35/77/215223577.db2.gz APKIRRATKFBOBB-HIFRSBDPSA-N -1 1 355.398 0.258 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)co1 ZINC000366739465 216025528 /nfs/dbraw/zinc/02/55/28/216025528.db2.gz OPMCNYRMBXUMPF-RWMBFGLXSA-N -1 1 358.416 0.596 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367116806 216077482 /nfs/dbraw/zinc/07/74/82/216077482.db2.gz IFVWNOUXBTVHGD-CHWSQXEVSA-N -1 1 370.479 0.500 10 0 FCAEMM C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000245853139 209376086 /nfs/dbraw/zinc/37/60/86/209376086.db2.gz JOZROGUJZWXJJP-SWLSCSKDSA-N -1 1 350.806 0.753 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000195287591 209335067 /nfs/dbraw/zinc/33/50/67/209335067.db2.gz XANIQJDMQXXVOH-SNVBAGLBSA-N -1 1 367.431 0.647 10 0 FCAEMM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC[S@]1=O ZINC000186749823 209195810 /nfs/dbraw/zinc/19/58/10/209195810.db2.gz GXTAQBFFCPARCR-JOCHJYFZSA-N -1 1 362.473 0.951 10 0 FCAEMM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)[nH]c1-c1ccccc1 ZINC000275320271 212007746 /nfs/dbraw/zinc/00/77/46/212007746.db2.gz XNHKZYRJMOTEGO-RYUDHWBXSA-N -1 1 356.425 0.317 10 0 FCAEMM CC[C@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@@]2(CCOC2)O1 ZINC000373692586 217046453 /nfs/dbraw/zinc/04/64/53/217046453.db2.gz CVIUBEHORYDERW-SWLSCSKDSA-N -1 1 358.416 0.598 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)C(=O)[O-] ZINC000424488080 247236816 /nfs/dbraw/zinc/23/68/16/247236816.db2.gz LPAVZBURKJBWCL-ZFWWWQNUSA-N -1 1 353.463 0.983 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424488457 247236884 /nfs/dbraw/zinc/23/68/84/247236884.db2.gz KRUMMUYXWDAWPW-QLFBSQMISA-N -1 1 371.478 0.465 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2)n[nH]1 ZINC000424494317 247239238 /nfs/dbraw/zinc/23/92/38/247239238.db2.gz PKCWZFOUZSEJMW-CHWSQXEVSA-N -1 1 365.434 0.682 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(N3CCCC3=O)ccc2F)n1 ZINC000439148997 248111688 /nfs/dbraw/zinc/11/16/88/248111688.db2.gz WRNJOTQPCKLLQH-UHFFFAOYSA-N -1 1 367.362 0.726 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(N3CCCC3=O)ccc2F)[n-]1 ZINC000439148997 248111690 /nfs/dbraw/zinc/11/16/90/248111690.db2.gz WRNJOTQPCKLLQH-UHFFFAOYSA-N -1 1 367.362 0.726 10 0 FCAEMM Cc1oc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1S(=O)(=O)N(C)C ZINC000440552213 248196261 /nfs/dbraw/zinc/19/62/61/248196261.db2.gz DSZUNRBTUMZKPN-UHFFFAOYSA-N -1 1 368.419 0.551 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccc(OC)cc1OC ZINC000443045651 248305244 /nfs/dbraw/zinc/30/52/44/248305244.db2.gz RPESXCUIBCEPAS-YGRLFVJLSA-N -1 1 361.416 0.872 10 0 FCAEMM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000469908679 250011487 /nfs/dbraw/zinc/01/14/87/250011487.db2.gz QSMNVEWGIXHSQX-NEPJUHHUSA-N -1 1 371.459 0.989 10 0 FCAEMM COCCN1CCCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1=O ZINC000470742772 250059425 /nfs/dbraw/zinc/05/94/25/250059425.db2.gz DQXQYXKRGMEOGW-UHFFFAOYSA-N -1 1 354.432 0.533 10 0 FCAEMM CC(C)[C@H](C(=O)NC1(c2nn[n-]n2)CC1)n1nnc(-c2ccccc2)n1 ZINC000470980756 250084540 /nfs/dbraw/zinc/08/45/40/250084540.db2.gz BVSOUQHYYQDUQJ-GFCCVEGCSA-N -1 1 353.390 0.856 10 0 FCAEMM CC(C)[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)n1nnc(-c2ccccc2)n1 ZINC000470980757 250084802 /nfs/dbraw/zinc/08/48/02/250084802.db2.gz BVSOUQHYYQDUQJ-LBPRGKRZSA-N -1 1 353.390 0.856 10 0 FCAEMM COc1cccc(C[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)n2nnnc2C)c1 ZINC000470983874 250084994 /nfs/dbraw/zinc/08/49/94/250084994.db2.gz NIBZOVOKEXTTFY-ZDUSSCGKSA-N -1 1 369.389 0.093 10 0 FCAEMM COCCOc1cc(OC)ccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000473141515 250203671 /nfs/dbraw/zinc/20/36/71/250203671.db2.gz GJHQKXRQFBYVJL-UHFFFAOYSA-N -1 1 370.387 0.494 10 0 FCAEMM COCCOc1cc(OC)ccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000473141515 250203677 /nfs/dbraw/zinc/20/36/77/250203677.db2.gz GJHQKXRQFBYVJL-UHFFFAOYSA-N -1 1 370.387 0.494 10 0 FCAEMM COc1ccccc1NC(=S)c1c(N)nc(N2CCOCC2)[n-]c1=O ZINC000072450556 136148316 /nfs/dbraw/zinc/14/83/16/136148316.db2.gz VALFPOCXQZJXHP-UHFFFAOYSA-N -1 1 361.427 0.985 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000625622112 484539533 /nfs/dbraw/zinc/53/95/33/484539533.db2.gz ZQZMQDCBBCSCJQ-CYBMUJFWSA-N -1 1 367.431 0.140 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)o1 ZINC000278386986 488872532 /nfs/dbraw/zinc/87/25/32/488872532.db2.gz PNTKSFXTIZCRFB-SNVBAGLBSA-N -1 1 366.321 0.955 10 0 FCAEMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000287898175 488919219 /nfs/dbraw/zinc/91/92/19/488919219.db2.gz RYWNOQNFDRCMIV-VIFPVBQESA-N -1 1 350.322 0.846 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC000328648445 488926537 /nfs/dbraw/zinc/92/65/37/488926537.db2.gz UOFGHGLVHKPFED-OAHLLOKOSA-N -1 1 358.446 1.079 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000328648416 488926567 /nfs/dbraw/zinc/92/65/67/488926567.db2.gz UMQCNQGYTHNYHS-UKRRQHHQSA-N -1 1 369.425 0.973 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OC ZINC000288099120 488943102 /nfs/dbraw/zinc/94/31/02/488943102.db2.gz KXKFAJVOWQXMCA-SSDOTTSWSA-N -1 1 354.226 0.721 10 0 FCAEMM CSc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000057022266 488264552 /nfs/dbraw/zinc/26/45/52/488264552.db2.gz IRPKGUYBNPHJON-UHFFFAOYSA-N -1 1 355.441 0.284 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c(=O)n(C)c1=O ZINC000068939235 488370051 /nfs/dbraw/zinc/37/00/51/488370051.db2.gz QWEVGSVZIVQEMU-UHFFFAOYSA-N -1 1 355.391 0.134 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)c(=O)n(C)c1 ZINC000268447923 488419749 /nfs/dbraw/zinc/41/97/49/488419749.db2.gz ONNCBJHRGCKJRE-UHFFFAOYSA-N -1 1 360.779 0.739 10 0 FCAEMM CCc1nc(S(=O)(=O)CC(=O)N2CCC[C@H](C(F)(F)F)C2)n[n-]1 ZINC000195053518 488435084 /nfs/dbraw/zinc/43/50/84/488435084.db2.gz LPTNSFTUALVWNP-QMMMGPOBSA-N -1 1 354.354 0.942 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000101664188 488495362 /nfs/dbraw/zinc/49/53/62/488495362.db2.gz QOUNMDRBZWHELB-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(-c3ccccc3F)c2)[n-]1 ZINC000101664188 488495365 /nfs/dbraw/zinc/49/53/65/488495365.db2.gz QOUNMDRBZWHELB-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CCN1CC(F)F ZINC000125031137 488597092 /nfs/dbraw/zinc/59/70/92/488597092.db2.gz PBVTYLQJUZWELJ-LLVKDONJSA-N -1 1 365.402 0.989 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000131265700 488644813 /nfs/dbraw/zinc/64/48/13/488644813.db2.gz CMYLTADFNFPKEG-DZGCQCFKSA-N -1 1 371.441 0.699 10 0 FCAEMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])no1 ZINC000264112763 488648822 /nfs/dbraw/zinc/64/88/22/488648822.db2.gz JPIKFSHAFDJBGK-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cccc2nsnc21 ZINC000144751566 488692663 /nfs/dbraw/zinc/69/26/63/488692663.db2.gz LQEDEVJVFXTDSV-VIFPVBQESA-N -1 1 353.385 0.389 10 0 FCAEMM O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Br)ccc1[O-] ZINC000154115167 488738590 /nfs/dbraw/zinc/73/85/90/488738590.db2.gz VETRANPEBZFIHQ-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM CCC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274913708 488743213 /nfs/dbraw/zinc/74/32/13/488743213.db2.gz LEHPDLVCRGKFNR-CYBMUJFWSA-N -1 1 351.384 0.977 10 0 FCAEMM O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC2(C1)NC(=O)NC2=O ZINC000155177779 488752497 /nfs/dbraw/zinc/75/24/97/488752497.db2.gz SGZPJNFAPQXTNZ-XAUUPUKJSA-N -1 1 356.426 0.755 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1OCCO2 ZINC000275062293 488757875 /nfs/dbraw/zinc/75/78/75/488757875.db2.gz ZBSBLQCGILHQSS-LBPRGKRZSA-N -1 1 370.427 0.675 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000277906180 488792415 /nfs/dbraw/zinc/79/24/15/488792415.db2.gz MFOYZNOTEGXDCI-GZMMTYOYSA-N -1 1 370.349 0.963 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000170928359 488818137 /nfs/dbraw/zinc/81/81/37/488818137.db2.gz FTTQVIPLTZNJTA-UHFFFAOYSA-N -1 1 359.430 0.509 10 0 FCAEMM O=C(CNS(=O)(=O)c1ccccc1F)NC1(c2nn[n-]n2)CCCC1 ZINC000563179239 491225459 /nfs/dbraw/zinc/22/54/59/491225459.db2.gz BSFCTHNWPAINOH-UHFFFAOYSA-N -1 1 368.394 0.203 10 0 FCAEMM COC(=O)c1sccc1NC(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000288775845 489014700 /nfs/dbraw/zinc/01/47/00/489014700.db2.gz BHMUGTMHGNZWTE-VIFPVBQESA-N -1 1 365.415 0.764 10 0 FCAEMM COC(=O)c1sccc1NC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288775842 489014710 /nfs/dbraw/zinc/01/47/10/489014710.db2.gz BHMUGTMHGNZWTE-SECBINFHSA-N -1 1 365.415 0.764 10 0 FCAEMM CC(C)Cc1nnc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)s1 ZINC000281122312 489054959 /nfs/dbraw/zinc/05/49/59/489054959.db2.gz XSBITGKZIVGAGW-UHFFFAOYSA-N -1 1 365.463 0.966 10 0 FCAEMM CC(=O)c1cccc(OC[C@@H](O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000289362361 489061879 /nfs/dbraw/zinc/06/18/79/489061879.db2.gz HMYUZIZEPYTYNA-HNNXBMFYSA-N -1 1 360.414 0.920 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000289761686 489091785 /nfs/dbraw/zinc/09/17/85/489091785.db2.gz HAVGLSAWLHYPSI-LBPRGKRZSA-N -1 1 368.390 0.784 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC2CCC1CC2 ZINC000563262578 491233956 /nfs/dbraw/zinc/23/39/56/491233956.db2.gz YRLAUEAOUKLCJY-IKWCTNDRSA-N -1 1 355.460 0.577 10 0 FCAEMM O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282836728 489193479 /nfs/dbraw/zinc/19/34/79/489193479.db2.gz DYHYPRHJXLSNBU-LSDHHAIUSA-N -1 1 369.425 0.853 10 0 FCAEMM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000286558890 489404279 /nfs/dbraw/zinc/40/42/79/489404279.db2.gz ZZDIRYCISHPTQZ-LLVKDONJSA-N -1 1 369.472 0.514 10 0 FCAEMM C[C@H]1CCN(C(=O)NCCn2cncn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287314150 489477452 /nfs/dbraw/zinc/47/74/52/489477452.db2.gz FCWPBVRWYLZLHO-DCAQKATOSA-N -1 1 362.356 0.765 10 0 FCAEMM Cc1cnc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000426644383 489577771 /nfs/dbraw/zinc/57/77/71/489577771.db2.gz CVNFZUNDVOUWMT-QWHCGFSZSA-N -1 1 354.428 0.904 10 0 FCAEMM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000427073569 489593177 /nfs/dbraw/zinc/59/31/77/489593177.db2.gz RNQQUMPIRAMFFA-CQSZACIVSA-N -1 1 364.446 0.395 10 0 FCAEMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000416551714 489609006 /nfs/dbraw/zinc/60/90/06/489609006.db2.gz SQJAROJHOSTRCS-PTOFAABTSA-N -1 1 362.473 0.717 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC23CCC(CC2)CC3)o1 ZINC000456233946 489612323 /nfs/dbraw/zinc/61/23/23/489612323.db2.gz BALKREWXQGDOQE-UHFFFAOYSA-N -1 1 355.416 0.496 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H](C)C(=O)OC ZINC000428411154 489646955 /nfs/dbraw/zinc/64/69/55/489646955.db2.gz HFJCHRWODVMPGR-AAEUAGOBSA-N -1 1 358.416 0.284 10 0 FCAEMM Cc1nnc(CN(C)CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)n1C ZINC000469512857 489710274 /nfs/dbraw/zinc/71/02/74/489710274.db2.gz XPEHDYZPOSWQAC-UHFFFAOYSA-N -1 1 372.433 0.237 10 0 FCAEMM O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NC1(c2nn[n-]n2)CC1 ZINC000430317328 489731161 /nfs/dbraw/zinc/73/11/61/489731161.db2.gz IBGHGAXAJUGJFM-VWLOTQADSA-N -1 1 363.399 0.274 10 0 FCAEMM C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000430334457 489732170 /nfs/dbraw/zinc/73/21/70/489732170.db2.gz VCPODADRAWNUBY-QGZVFWFLSA-N -1 1 370.413 0.380 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)[n-]1 ZINC000474437177 489762277 /nfs/dbraw/zinc/76/22/77/489762277.db2.gz HAJLKXBCRROJQZ-UHFFFAOYSA-N -1 1 354.344 0.092 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)n[n-]1 ZINC000474437177 489762280 /nfs/dbraw/zinc/76/22/80/489762280.db2.gz HAJLKXBCRROJQZ-UHFFFAOYSA-N -1 1 354.344 0.092 10 0 FCAEMM COCc1nnc(S(=O)(=O)Cc2noc(-c3ccc(OC)cc3)n2)[n-]1 ZINC000474440215 489762355 /nfs/dbraw/zinc/76/23/55/489762355.db2.gz RMCXUBHEBYPBIW-UHFFFAOYSA-N -1 1 365.371 0.984 10 0 FCAEMM COCc1nc(S(=O)(=O)Cc2noc(-c3ccc(OC)cc3)n2)n[n-]1 ZINC000474440215 489762359 /nfs/dbraw/zinc/76/23/59/489762359.db2.gz RMCXUBHEBYPBIW-UHFFFAOYSA-N -1 1 365.371 0.984 10 0 FCAEMM COC[C@@H]1CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432286734 489836422 /nfs/dbraw/zinc/83/64/22/489836422.db2.gz RPVWSAZLTFOSDC-JTQLQIEISA-N -1 1 352.409 0.607 10 0 FCAEMM COc1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)cc(Cl)c1[O-] ZINC000460131924 489852195 /nfs/dbraw/zinc/85/21/95/489852195.db2.gz PYKUVJXORPLTCY-LBPRGKRZSA-N -1 1 358.822 0.819 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@]1(CCO)CCOC1 ZINC000475832459 489853189 /nfs/dbraw/zinc/85/31/89/489853189.db2.gz WSAGDYGMFODULO-GOSISDBHSA-N -1 1 362.430 0.890 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ncc(C)cc2[O-])C1 ZINC000460275881 489861157 /nfs/dbraw/zinc/86/11/57/489861157.db2.gz IULBZJGGHDAMHN-CYBMUJFWSA-N -1 1 363.414 0.969 10 0 FCAEMM CCOC[C@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000494717100 489908118 /nfs/dbraw/zinc/90/81/18/489908118.db2.gz HGMJHCVYXVZHFR-LBPRGKRZSA-N -1 1 352.435 0.801 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000477022961 489931757 /nfs/dbraw/zinc/93/17/57/489931757.db2.gz FOHAAFOHGPMWAG-NSHDSACASA-N -1 1 370.369 0.129 10 0 FCAEMM CC(=O)N[C@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(F)cc1F ZINC000477028406 489932589 /nfs/dbraw/zinc/93/25/89/489932589.db2.gz FCVCVSXKHOWHHK-GFCCVEGCSA-N -1 1 350.329 0.851 10 0 FCAEMM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)C1 ZINC000477038883 489935379 /nfs/dbraw/zinc/93/53/79/489935379.db2.gz WMNDKMSFKJDXKH-CQSZACIVSA-N -1 1 354.414 0.786 10 0 FCAEMM CNC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000435447700 490001811 /nfs/dbraw/zinc/00/18/11/490001811.db2.gz QQNWNCLKBSJGOA-LBPRGKRZSA-N -1 1 359.448 0.857 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N(C)C[C@H](O)CN3CCOCC3)c[n-]c2n1 ZINC000478432279 490019323 /nfs/dbraw/zinc/01/93/23/490019323.db2.gz WPYVZWGOBQQCBP-ZDUSSCGKSA-N -1 1 360.414 0.409 10 0 FCAEMM CC1(O)CC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000571391522 491304524 /nfs/dbraw/zinc/30/45/24/491304524.db2.gz SNZHRVQXTXYVTE-UHFFFAOYSA-N -1 1 370.427 0.513 10 0 FCAEMM Cc1cccc2c(=O)n(CC(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cnc12 ZINC000533113559 490178530 /nfs/dbraw/zinc/17/85/30/490178530.db2.gz ASGJTZXRAFHSDE-GFCCVEGCSA-N -1 1 353.386 0.624 10 0 FCAEMM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000408071653 490238168 /nfs/dbraw/zinc/23/81/68/490238168.db2.gz DBCSICOKKAVFPJ-UWVGGRQHSA-N -1 1 366.436 0.995 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(S(C)(=O)=O)[C@@H](C)C3)cnc2n1 ZINC000408119532 490254647 /nfs/dbraw/zinc/25/46/47/490254647.db2.gz KINCIHVQUKIMLG-NSHDSACASA-N -1 1 364.427 0.750 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c2=O ZINC000408119532 490254650 /nfs/dbraw/zinc/25/46/50/490254650.db2.gz KINCIHVQUKIMLG-NSHDSACASA-N -1 1 364.427 0.750 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cnc2n1 ZINC000408183204 490267192 /nfs/dbraw/zinc/26/71/92/490267192.db2.gz PFUSTVSDUGBQCR-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c2=O ZINC000408183204 490267199 /nfs/dbraw/zinc/26/71/99/490267199.db2.gz PFUSTVSDUGBQCR-SNVBAGLBSA-N -1 1 350.400 0.408 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(F)ccc2N2CCOCC2)n1 ZINC000547858348 490368290 /nfs/dbraw/zinc/36/82/90/490368290.db2.gz LMLFRLHRUQXZKS-UHFFFAOYSA-N -1 1 369.378 0.436 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(F)ccc2N2CCOCC2)[n-]1 ZINC000547858348 490368294 /nfs/dbraw/zinc/36/82/94/490368294.db2.gz LMLFRLHRUQXZKS-UHFFFAOYSA-N -1 1 369.378 0.436 10 0 FCAEMM CO[C@H](C)[C@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000468270632 490378039 /nfs/dbraw/zinc/37/80/39/490378039.db2.gz OLSVPCAALILJLQ-WCQYABFASA-N -1 1 352.435 0.799 10 0 FCAEMM CCN1C(=O)CC[C@H](C(=O)NC2(c3nn[n-]n3)CC2)[C@H]1c1ccncc1 ZINC000499264357 490405498 /nfs/dbraw/zinc/40/54/98/490405498.db2.gz SEESPAHGIHOACC-GXTWGEPZSA-N -1 1 355.402 0.700 10 0 FCAEMM Cn1nc(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c2ccccc2c1=O ZINC000509280607 490410666 /nfs/dbraw/zinc/41/06/66/490410666.db2.gz YLJWCDJRDDVYMH-UHFFFAOYSA-N -1 1 369.381 0.971 10 0 FCAEMM CCn1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(=O)c2ccccc21 ZINC000522833628 490411534 /nfs/dbraw/zinc/41/15/34/490411534.db2.gz AJGKEOMCCDKOFR-UHFFFAOYSA-N -1 1 362.371 0.190 10 0 FCAEMM CCn1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(=O)c2ccccc21 ZINC000522833628 490411537 /nfs/dbraw/zinc/41/15/37/490411537.db2.gz AJGKEOMCCDKOFR-UHFFFAOYSA-N -1 1 362.371 0.190 10 0 FCAEMM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855232 490413152 /nfs/dbraw/zinc/41/31/52/490413152.db2.gz WUTKBYWAZMIZEY-VIFPVBQESA-N -1 1 370.460 0.514 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)o1 ZINC000548063265 490415233 /nfs/dbraw/zinc/41/52/33/490415233.db2.gz NXKHZWBGEZUJAY-SNVBAGLBSA-N -1 1 365.415 0.580 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000449833041 490430537 /nfs/dbraw/zinc/43/05/37/490430537.db2.gz FSYOQWKPFULADD-NSHDSACASA-N -1 1 363.399 0.590 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)[n-]1 ZINC000449833041 490430545 /nfs/dbraw/zinc/43/05/45/490430545.db2.gz FSYOQWKPFULADD-NSHDSACASA-N -1 1 363.399 0.590 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)s[n-]1 ZINC000411470193 490467379 /nfs/dbraw/zinc/46/73/79/490467379.db2.gz NVFQQHOKODSDMY-GFCCVEGCSA-N -1 1 351.476 0.984 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000500578321 490536932 /nfs/dbraw/zinc/53/69/32/490536932.db2.gz YTKPOQWTLFQFTD-JTQLQIEISA-N -1 1 367.362 0.339 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)[n-]1 ZINC000500578321 490536935 /nfs/dbraw/zinc/53/69/35/490536935.db2.gz YTKPOQWTLFQFTD-JTQLQIEISA-N -1 1 367.362 0.339 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)o1 ZINC000536526517 490587407 /nfs/dbraw/zinc/58/74/07/490587407.db2.gz GHAAWUJYYYVJOU-VIFPVBQESA-N -1 1 358.420 0.239 10 0 FCAEMM CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2C1 ZINC000486543273 490645225 /nfs/dbraw/zinc/64/52/25/490645225.db2.gz GVXZEUGIMYWTDV-GFCCVEGCSA-N -1 1 372.433 0.294 10 0 FCAEMM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccncc1[O-] ZINC000512021780 490653022 /nfs/dbraw/zinc/65/30/22/490653022.db2.gz YLRTWMPIUZXFCN-KRWDZBQOSA-N -1 1 366.377 0.623 10 0 FCAEMM CCS(=O)(=O)N(C)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000502005033 490666230 /nfs/dbraw/zinc/66/62/30/490666230.db2.gz XHOWFCRVIZHUKE-UHFFFAOYSA-N -1 1 352.416 0.325 10 0 FCAEMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000512608665 490689733 /nfs/dbraw/zinc/68/97/33/490689733.db2.gz WSMJYUWMMFFWQF-SECBINFHSA-N -1 1 357.436 0.431 10 0 FCAEMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000512608665 490689736 /nfs/dbraw/zinc/68/97/36/490689736.db2.gz WSMJYUWMMFFWQF-SECBINFHSA-N -1 1 357.436 0.431 10 0 FCAEMM COc1ccc(-n2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)n2)cc1 ZINC000512618265 490690734 /nfs/dbraw/zinc/69/07/34/490690734.db2.gz IIMKRAGSXQKKIS-UHFFFAOYSA-N -1 1 362.371 0.655 10 0 FCAEMM COc1ccc(-n2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)n2)cc1 ZINC000512618265 490690738 /nfs/dbraw/zinc/69/07/38/490690738.db2.gz IIMKRAGSXQKKIS-UHFFFAOYSA-N -1 1 362.371 0.655 10 0 FCAEMM COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000512640065 490690856 /nfs/dbraw/zinc/69/08/56/490690856.db2.gz OIDWDGIWRYNRMQ-UHFFFAOYSA-N -1 1 352.372 0.601 10 0 FCAEMM COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000512640065 490690858 /nfs/dbraw/zinc/69/08/58/490690858.db2.gz OIDWDGIWRYNRMQ-UHFFFAOYSA-N -1 1 352.372 0.601 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000487336224 490705558 /nfs/dbraw/zinc/70/55/58/490705558.db2.gz LPMMKTAAJBVDTO-UHFFFAOYSA-N -1 1 353.335 0.484 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)[n-]1 ZINC000487336224 490705562 /nfs/dbraw/zinc/70/55/62/490705562.db2.gz LPMMKTAAJBVDTO-UHFFFAOYSA-N -1 1 353.335 0.484 10 0 FCAEMM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513498902 490735374 /nfs/dbraw/zinc/73/53/74/490735374.db2.gz CPSJRCLVDYNQGQ-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM COc1ccc(NC(=O)NC[C@H](O)[C@@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000528995285 490836107 /nfs/dbraw/zinc/83/61/07/490836107.db2.gz IKAXXEAUSUDGNA-JSGCOSHPSA-N -1 1 373.431 0.728 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2cnc3nc(C)ccc3c2[O-])CCO1 ZINC000530276252 490897354 /nfs/dbraw/zinc/89/73/54/490897354.db2.gz YXHWWGAMGXMGNL-NSHDSACASA-N -1 1 359.386 0.414 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CCO1 ZINC000530276252 490897356 /nfs/dbraw/zinc/89/73/56/490897356.db2.gz YXHWWGAMGXMGNL-NSHDSACASA-N -1 1 359.386 0.414 10 0 FCAEMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)cn1 ZINC000558599846 491437919 /nfs/dbraw/zinc/43/79/19/491437919.db2.gz TZMNCPXEXLTNPH-UHFFFAOYSA-N -1 1 360.399 0.924 10 0 FCAEMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(N)noc1C)Cc1cccc(F)c1 ZINC000567313311 491498673 /nfs/dbraw/zinc/49/86/73/491498673.db2.gz XHLATHMPPGPOKY-LLVKDONJSA-N -1 1 371.390 1.015 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C(=O)[O-] ZINC000575803699 491561726 /nfs/dbraw/zinc/56/17/26/491561726.db2.gz YGVYKFDXMUUKOJ-BMFZPTHFSA-N -1 1 361.442 0.975 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000577220295 491603925 /nfs/dbraw/zinc/60/39/25/491603925.db2.gz LWBSDMXYAWYEAO-RAIGVLPGSA-N -1 1 363.418 0.388 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)nc2n1 ZINC000588006387 491737285 /nfs/dbraw/zinc/73/72/85/491737285.db2.gz GVNXLBTZUNVNFN-AWEZNQCLSA-N -1 1 369.381 0.958 10 0 FCAEMM Cc1cnc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)c([O-])c1 ZINC000591236830 491799997 /nfs/dbraw/zinc/79/99/97/491799997.db2.gz BWYOKLDQRNQYMP-NSHDSACASA-N -1 1 370.427 0.677 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1ccnn1C ZINC000592091831 491831535 /nfs/dbraw/zinc/83/15/35/491831535.db2.gz LPYRXRJYMPCWLS-ZDUSSCGKSA-N -1 1 353.356 0.341 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)oc1C ZINC000594863439 491867748 /nfs/dbraw/zinc/86/77/48/491867748.db2.gz DKAJXYGHTHELID-CYBMUJFWSA-N -1 1 351.352 0.944 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)o1 ZINC000600560956 491868794 /nfs/dbraw/zinc/86/87/94/491868794.db2.gz XFOLYCINUJVQNB-SDDRHHMPSA-N -1 1 370.427 0.992 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC000601284876 491901790 /nfs/dbraw/zinc/90/17/90/491901790.db2.gz NHZGZFRIQCCFGQ-ZDUSSCGKSA-N -1 1 355.412 0.643 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1C ZINC000595316229 491917552 /nfs/dbraw/zinc/91/75/52/491917552.db2.gz DRIPCAOKAIBHLE-IEBDPFPHSA-N -1 1 356.400 0.662 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)cc1C ZINC000595337283 491921395 /nfs/dbraw/zinc/92/13/95/491921395.db2.gz VIALHFKTQKDJSF-ZDUSSCGKSA-N -1 1 351.352 0.944 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](N3CCOCC3)C2(C)C)o1 ZINC000601453973 491921645 /nfs/dbraw/zinc/92/16/45/491921645.db2.gz ZAVOFSJUBWPNFK-OLZOCXBDSA-N -1 1 372.443 0.844 10 0 FCAEMM Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000614386241 492026764 /nfs/dbraw/zinc/02/67/64/492026764.db2.gz AVMRJEOGWGIRNA-QMMMGPOBSA-N -1 1 372.428 0.812 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c(=O)n(C)c1=O ZINC000604149047 492051564 /nfs/dbraw/zinc/05/15/64/492051564.db2.gz QPJCUQJENSFAJQ-UHFFFAOYSA-N -1 1 360.395 0.111 10 0 FCAEMM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1c([O-])cc(F)cc1F ZINC000604606238 492064971 /nfs/dbraw/zinc/06/49/71/492064971.db2.gz JKGGOJALBGJXDE-ZDUSSCGKSA-N -1 1 355.385 0.807 10 0 FCAEMM Cc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)c2ncc(C)cc2O)c([O-])c1 ZINC000615215486 492078845 /nfs/dbraw/zinc/07/88/45/492078845.db2.gz KVXGEAKRSBLDPU-LBPRGKRZSA-N -1 1 374.397 0.368 10 0 FCAEMM Cc1cnc(C(=O)NC[C@H](O)CN(C)C(=O)c2ncc(C)cc2O)c([O-])c1 ZINC000615215486 492078846 /nfs/dbraw/zinc/07/88/46/492078846.db2.gz KVXGEAKRSBLDPU-LBPRGKRZSA-N -1 1 374.397 0.368 10 0 FCAEMM COC(=O)C12CC(C1)CN2C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000598065630 492083001 /nfs/dbraw/zinc/08/30/01/492083001.db2.gz ZOVSQYCHLMNPOH-UHFFFAOYSA-N -1 1 368.393 0.847 10 0 FCAEMM CC1CCC(NS(=O)(=O)CC(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000605381976 492093567 /nfs/dbraw/zinc/09/35/67/492093567.db2.gz OEVAFNBQORNJGR-UHFFFAOYSA-N -1 1 370.479 0.583 10 0 FCAEMM CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000605532267 492097989 /nfs/dbraw/zinc/09/79/89/492097989.db2.gz UJGXRAPVITXPGT-NSHDSACASA-N -1 1 356.452 0.147 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000598730599 492115766 /nfs/dbraw/zinc/11/57/66/492115766.db2.gz XCTJQKCNUHTVSD-UONOGXRCSA-N -1 1 373.369 0.518 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)co1 ZINC000616554432 492136765 /nfs/dbraw/zinc/13/67/65/492136765.db2.gz AEZAIXFETVBIDA-GFCCVEGCSA-N -1 1 365.411 0.694 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617262144 492161627 /nfs/dbraw/zinc/16/16/27/492161627.db2.gz ZBUGVCXGCCLEKF-CYBMUJFWSA-N -1 1 355.402 0.734 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)co1 ZINC000617497731 492171828 /nfs/dbraw/zinc/17/18/28/492171828.db2.gz YBEHRBQHWPTKKS-LBPRGKRZSA-N -1 1 363.395 0.505 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)o1 ZINC000617500460 492172210 /nfs/dbraw/zinc/17/22/10/492172210.db2.gz VEXSRZMGWMXDBB-NSHDSACASA-N -1 1 363.395 0.505 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C3CCC3)CC2)o1 ZINC000617773020 492191296 /nfs/dbraw/zinc/19/12/96/492191296.db2.gz ZLAGLGJZUQYPKB-UHFFFAOYSA-N -1 1 369.443 0.696 10 0 FCAEMM COC(=O)[C@@H](CF)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000599942439 492219642 /nfs/dbraw/zinc/21/96/42/492219642.db2.gz SNKAGDIMKCUZIQ-LLVKDONJSA-N -1 1 352.318 0.786 10 0 FCAEMM CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000600247109 492253937 /nfs/dbraw/zinc/25/39/37/492253937.db2.gz YJMPGAVQVCDOBN-NSHDSACASA-N -1 1 363.326 0.792 10 0 FCAEMM COC(=O)[C@]1(OC)CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000600285580 492256449 /nfs/dbraw/zinc/25/64/49/492256449.db2.gz CKPAECUMCSXVRW-KRWDZBQOSA-N -1 1 362.386 0.385 10 0 FCAEMM Cn1nnnc1CCNC(=O)c1cc(I)ccc1[O-] ZINC000611335370 492286114 /nfs/dbraw/zinc/28/61/14/492286114.db2.gz MWHUQWNGPNILOY-UHFFFAOYSA-N -1 1 373.154 0.493 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[C@@H]1C(=O)[O-] ZINC000647483759 492294841 /nfs/dbraw/zinc/29/48/41/492294841.db2.gz IYVCJHWRJXCXHL-RISCZKNCSA-N -1 1 357.370 0.775 10 0 FCAEMM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647585083 492325556 /nfs/dbraw/zinc/32/55/56/492325556.db2.gz BPKOXLJESMUCGY-LLLHUVSDSA-N -1 1 373.453 0.993 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000647593061 492330239 /nfs/dbraw/zinc/33/02/39/492330239.db2.gz ZKVZOXVYRSACKU-KGLIPLIRSA-N -1 1 351.447 0.833 10 0 FCAEMM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H]3CN4CCN3CCC4)cc2=O)cc1 ZINC000647678943 492343381 /nfs/dbraw/zinc/34/33/81/492343381.db2.gz GTEJFTQYVZPVSL-MRXNPFEDSA-N -1 1 355.442 0.594 10 0 FCAEMM NS(=O)(=O)CCOCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655083349 492401655 /nfs/dbraw/zinc/40/16/55/492401655.db2.gz XNORVGAEODUFCJ-UHFFFAOYSA-N -1 1 356.322 0.446 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1)C1CCOCC1 ZINC000655636786 492468474 /nfs/dbraw/zinc/46/84/74/492468474.db2.gz BZVRBVMOEWAMIS-GFCCVEGCSA-N -1 1 361.468 0.289 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622612537 492480432 /nfs/dbraw/zinc/48/04/32/492480432.db2.gz ZHBYWQMACFMUBL-MRXNPFEDSA-N -1 1 366.381 0.844 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)nc2n1 ZINC000622870315 492491812 /nfs/dbraw/zinc/49/18/12/492491812.db2.gz XSEQVRLMRVILEU-UHFFFAOYSA-N -1 1 364.406 0.374 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC000649092601 492497905 /nfs/dbraw/zinc/49/79/05/492497905.db2.gz SVUBJYIMESKKLW-SFHVURJKSA-N -1 1 362.430 0.888 10 0 FCAEMM CSc1nc(C)c(CCC(=O)Nc2ccc(=O)n(CCO)c2)c(=O)[n-]1 ZINC000649118353 492502543 /nfs/dbraw/zinc/50/25/43/492502543.db2.gz UJHTVVITTASDKO-UHFFFAOYSA-N -1 1 364.427 0.938 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)nc2n1 ZINC000643909626 492601329 /nfs/dbraw/zinc/60/13/29/492601329.db2.gz VTQRYNDVCDCOQO-GARJFASQSA-N -1 1 372.385 0.228 10 0 FCAEMM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000629629021 492660777 /nfs/dbraw/zinc/66/07/77/492660777.db2.gz KMVFDTQXDXYAOT-MWLCHTKSSA-N -1 1 351.425 0.680 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2ncccc2Br)CCOC1 ZINC000656959804 492679574 /nfs/dbraw/zinc/67/95/74/492679574.db2.gz DACYAVDNXXSSJH-NSHDSACASA-N -1 1 351.222 0.928 10 0 FCAEMM CCc1nncn1CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656919501 492668648 /nfs/dbraw/zinc/66/86/48/492668648.db2.gz HYJRRGFFIUPNJI-UHFFFAOYSA-N -1 1 360.237 0.977 10 0 FCAEMM COCC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(N)=O ZINC000656953943 492677862 /nfs/dbraw/zinc/67/78/62/492677862.db2.gz NZKLROLHWYDATC-MRVPVSSYSA-N -1 1 352.210 0.013 10 0 FCAEMM COCC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C(N)=O ZINC000656953944 492677982 /nfs/dbraw/zinc/67/79/82/492677982.db2.gz NZKLROLHWYDATC-QMMMGPOBSA-N -1 1 352.210 0.013 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@H]1c1ccnn1C ZINC000650884166 492681504 /nfs/dbraw/zinc/68/15/04/492681504.db2.gz TUAVOPQJNDGEBZ-HNNXBMFYSA-N -1 1 370.413 0.928 10 0 FCAEMM O=S(=O)([N-]C[C@@H](CO)[C@@H]1CCOC1)c1ncccc1Br ZINC000656978157 492684775 /nfs/dbraw/zinc/68/47/75/492684775.db2.gz FMCZXQFDLSUDKX-ZJUUUORDSA-N -1 1 365.249 0.767 10 0 FCAEMM Cc1cn(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nc1C(F)(F)F ZINC000629952456 492707955 /nfs/dbraw/zinc/70/79/55/492707955.db2.gz CEQWXFQPWMLTIX-UHFFFAOYSA-N -1 1 352.298 0.371 10 0 FCAEMM Cc1cn(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nc1C(F)(F)F ZINC000629952456 492707957 /nfs/dbraw/zinc/70/79/57/492707957.db2.gz CEQWXFQPWMLTIX-UHFFFAOYSA-N -1 1 352.298 0.371 10 0 FCAEMM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CCN(CCC(F)(F)F)CC1 ZINC000630005610 492713002 /nfs/dbraw/zinc/71/30/02/492713002.db2.gz FLTYOCHMAQUZTR-UHFFFAOYSA-N -1 1 362.352 0.975 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4nccnn4)CC3)cnc2n1 ZINC000630020727 492718421 /nfs/dbraw/zinc/71/84/21/492718421.db2.gz IUDYELVNEIIPJH-UHFFFAOYSA-N -1 1 351.370 0.791 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(c3nccnn3)CC1)c2=O ZINC000630020727 492718425 /nfs/dbraw/zinc/71/84/25/492718425.db2.gz IUDYELVNEIIPJH-UHFFFAOYSA-N -1 1 351.370 0.791 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c(=O)n(C)c1=O ZINC000657197204 492741264 /nfs/dbraw/zinc/74/12/64/492741264.db2.gz CYNYFWZWTPEBMI-UHFFFAOYSA-N -1 1 363.386 0.330 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000630702871 492767171 /nfs/dbraw/zinc/76/71/71/492767171.db2.gz DVANYLGYQMAJHC-UHFFFAOYSA-N -1 1 350.329 0.395 10 0 FCAEMM COC1(CS(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)CCOCC1 ZINC000651545691 492778070 /nfs/dbraw/zinc/77/80/70/492778070.db2.gz UFFBZNBRAADZPP-UHFFFAOYSA-N -1 1 368.455 0.691 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000630864622 492779194 /nfs/dbraw/zinc/77/91/94/492779194.db2.gz WKLUDBDGUISSOV-UHFFFAOYSA-N -1 1 366.784 0.909 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)[n-]1 ZINC000651806756 492826395 /nfs/dbraw/zinc/82/63/95/492826395.db2.gz ZLXASSUUTGKNOR-HOCLYGCPSA-N -1 1 370.457 0.999 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)C1CCOCC1 ZINC000645646226 492953444 /nfs/dbraw/zinc/95/34/44/492953444.db2.gz QQVDDCGFMIZSCE-SECBINFHSA-N -1 1 373.353 0.949 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@]12C[C@H]1CCCC2)[N-]CC(F)F ZINC000632318479 492971939 /nfs/dbraw/zinc/97/19/39/492971939.db2.gz QCNIUKRFZYKGLF-ZYHUDNBSSA-N -1 1 360.448 0.813 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)o1 ZINC000652709794 492996631 /nfs/dbraw/zinc/99/66/31/492996631.db2.gz ZQKJANLBTWIWJI-QGZVFWFLSA-N -1 1 364.423 0.794 10 0 FCAEMM COc1cc(C(=O)NCCCn2c(=O)ccn(C)c2=O)cc(Cl)c1[O-] ZINC000626680515 493007386 /nfs/dbraw/zinc/00/73/86/493007386.db2.gz ACOPXJMZRSONNJ-UHFFFAOYSA-N -1 1 367.789 0.735 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)CCOCC1 ZINC000632495099 493011951 /nfs/dbraw/zinc/01/19/51/493011951.db2.gz FUBGQLHXJUSCAZ-NSHDSACASA-N -1 1 355.478 0.067 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(c3ncns3)CC2)c1 ZINC000632543383 493025439 /nfs/dbraw/zinc/02/54/39/493025439.db2.gz AISSHGRTVOMPEF-UHFFFAOYSA-N -1 1 356.429 0.763 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000632568866 493030964 /nfs/dbraw/zinc/03/09/64/493030964.db2.gz SAFOJIDEUMGMBL-NSHDSACASA-N -1 1 357.432 0.777 10 0 FCAEMM CC[C@@H](C(=O)[O-])N(C)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000653345222 493096180 /nfs/dbraw/zinc/09/61/80/493096180.db2.gz NXSNSSGSGJRBAG-JTQLQIEISA-N -1 1 350.343 0.565 10 0 FCAEMM CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000659408494 493167906 /nfs/dbraw/zinc/16/79/06/493167906.db2.gz VRVVESIADMFAIP-HUUCEWRRSA-N -1 1 371.397 0.978 10 0 FCAEMM CO[C@@H](CS(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCOCC1 ZINC000647275580 493189501 /nfs/dbraw/zinc/18/95/01/493189501.db2.gz NILOEZILZLOGDD-AWEZNQCLSA-N -1 1 354.432 0.525 10 0 FCAEMM COc1ccc(NC(=O)NC[C@](C)(CO)OC)cc1[N-]S(C)(=O)=O ZINC000654008393 493202699 /nfs/dbraw/zinc/20/26/99/493202699.db2.gz NKPJVXPZPQLMIH-CQSZACIVSA-N -1 1 361.420 0.586 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCC(=O)Nc2ccn(C)n2)c(=O)[n-]1 ZINC000684172368 493398870 /nfs/dbraw/zinc/39/88/70/493398870.db2.gz WTQRXKSKWMKFBL-UHFFFAOYSA-N -1 1 364.431 0.634 10 0 FCAEMM CN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662202891 493496156 /nfs/dbraw/zinc/49/61/56/493496156.db2.gz AAWUPUKYRQRNON-QGZVFWFLSA-N -1 1 360.458 0.426 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663636869 493608576 /nfs/dbraw/zinc/60/85/76/493608576.db2.gz CGPHLXDSSHVJTI-CQSZACIVSA-N -1 1 353.463 0.936 10 0 FCAEMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677924880 493624664 /nfs/dbraw/zinc/62/46/64/493624664.db2.gz BGMNRULATDKPMO-MNOVXSKESA-N -1 1 368.401 0.601 10 0 FCAEMM COc1ccc(NC(=O)NCc2cn(C)nn2)cc1[N-]S(C)(=O)=O ZINC000679959843 493703123 /nfs/dbraw/zinc/70/31/23/493703123.db2.gz YKGYNYFAARFTLW-UHFFFAOYSA-N -1 1 354.392 0.517 10 0 FCAEMM O=C(CN1CCN(C(=O)c2ccc([O-])c(F)c2)CC1)N1CCOCC1 ZINC000681015356 493740869 /nfs/dbraw/zinc/74/08/69/493740869.db2.gz DBKADFXLCOALSE-UHFFFAOYSA-N -1 1 351.378 0.148 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1C ZINC000436849410 536096981 /nfs/dbraw/zinc/09/69/81/536096981.db2.gz ZLYDSOSAPSRMSW-UHFFFAOYSA-N -1 1 367.383 0.932 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CCNC[C@H]3C)s[n-]2)c1 ZINC000415349508 537066425 /nfs/dbraw/zinc/06/64/25/537066425.db2.gz XOUFCXSFOACCEN-SNVBAGLBSA-N -1 1 361.427 0.394 10 0 FCAEMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000593649347 546728222 /nfs/dbraw/zinc/72/82/22/546728222.db2.gz IXUZDHSDAHJBSM-NWDGAFQWSA-N -1 1 364.464 0.273 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)o1 ZINC000619984239 547335490 /nfs/dbraw/zinc/33/54/90/547335490.db2.gz MTOLXBMDTVDOHW-JTQLQIEISA-N -1 1 358.420 0.016 10 0 FCAEMM CO[C@@H]1CN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)[C@](C)(C(=O)[O-])C1 ZINC000908772968 666217013 /nfs/dbraw/zinc/21/70/13/666217013.db2.gz ZNYOQAPTXHBPRY-LOUJCGABSA-N -1 1 357.451 0.759 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)O2 ZINC000910547924 666250446 /nfs/dbraw/zinc/25/04/46/666250446.db2.gz WWICGZQEXDEFBX-SUKQMUEJSA-N -1 1 354.447 0.872 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@H]12 ZINC000921321882 666432973 /nfs/dbraw/zinc/43/29/73/666432973.db2.gz KYYHYCQLXJDCOJ-VXGBXAGGSA-N -1 1 355.551 0.908 10 0 FCAEMM O=C(NCC12COCCN1CCOC2)c1ccc(Br)cc1[O-] ZINC000913303545 666520342 /nfs/dbraw/zinc/52/03/42/666520342.db2.gz WBOGFHJHMZZPCX-UHFFFAOYSA-N -1 1 371.231 0.986 10 0 FCAEMM CCS(=O)(=O)c1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)cc1 ZINC000055585247 666543822 /nfs/dbraw/zinc/54/38/22/666543822.db2.gz HFIHAWBTWGHHNX-UHFFFAOYSA-N -1 1 372.428 0.006 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 ZINC000730281645 666622221 /nfs/dbraw/zinc/62/22/21/666622221.db2.gz PRAKCEIIFYPIKH-QMMMGPOBSA-N -1 1 367.362 0.339 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)[n-]1 ZINC000730281645 666622222 /nfs/dbraw/zinc/62/22/22/666622222.db2.gz PRAKCEIIFYPIKH-QMMMGPOBSA-N -1 1 367.362 0.339 10 0 FCAEMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2occc2Br)cn1 ZINC000914298185 666735977 /nfs/dbraw/zinc/73/59/77/666735977.db2.gz QLILVHRVMAPQDA-VIFPVBQESA-N -1 1 350.194 0.788 10 0 FCAEMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000914305591 666737863 /nfs/dbraw/zinc/73/78/63/666737863.db2.gz JMXPWLVESWJKFF-RTBKNWGFSA-N -1 1 357.375 0.834 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)n1 ZINC000733360419 666861543 /nfs/dbraw/zinc/86/15/43/666861543.db2.gz JWBRIGYHQAMLBG-UHFFFAOYSA-N -1 1 364.412 0.935 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)[n-]1 ZINC000733360419 666861546 /nfs/dbraw/zinc/86/15/46/666861546.db2.gz JWBRIGYHQAMLBG-UHFFFAOYSA-N -1 1 364.412 0.935 10 0 FCAEMM O=C(C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc(Br)cc1 ZINC000733956125 666943917 /nfs/dbraw/zinc/94/39/17/666943917.db2.gz VDWIRPIECSLQEW-SNVBAGLBSA-N -1 1 366.175 0.745 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)o1 ZINC000917056445 667049492 /nfs/dbraw/zinc/04/94/92/667049492.db2.gz SZAFKBUIHVWBOG-LBPRGKRZSA-N -1 1 357.432 0.125 10 0 FCAEMM CC(C)(C)OC(=O)[C@@]1(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CCOC1 ZINC000917357416 667071141 /nfs/dbraw/zinc/07/11/41/667071141.db2.gz SHDROPYAOTUGFH-DLBZAZTESA-N -1 1 374.503 0.893 10 0 FCAEMM O=S(=O)([N-]C1CC(CO)(CO)C1)c1ncccc1Br ZINC000918420195 667120241 /nfs/dbraw/zinc/12/02/41/667120241.db2.gz UBGYGMHGWIWMFA-UHFFFAOYSA-N -1 1 351.222 0.256 10 0 FCAEMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C ZINC000921571539 667139001 /nfs/dbraw/zinc/13/90/01/667139001.db2.gz HVSVJDUZVWZBKN-NSHDSACASA-N -1 1 367.427 0.441 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1ccc(Br)o1 ZINC000918980448 667145799 /nfs/dbraw/zinc/14/57/99/667145799.db2.gz MJLXWQVLGRTOFY-SECBINFHSA-N -1 1 369.237 0.014 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1ccc(Cl)nc1Cl ZINC000918989404 667149105 /nfs/dbraw/zinc/14/91/05/667149105.db2.gz QVDOCAPMUDVMMB-SECBINFHSA-N -1 1 370.258 0.360 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CNC(=O)C2)c(Br)n1C ZINC000921656205 667211579 /nfs/dbraw/zinc/21/15/79/667211579.db2.gz UXHQSXVYFVXOTB-MRVPVSSYSA-N -1 1 365.253 0.296 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)N1CCOCC1 ZINC000752261885 667509546 /nfs/dbraw/zinc/50/95/46/667509546.db2.gz LQIGMBWKBHREIE-SNVBAGLBSA-N -1 1 364.855 0.298 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC000921855499 667521044 /nfs/dbraw/zinc/52/10/44/667521044.db2.gz GKXJIWMQQWDQEW-STQMWFEESA-N -1 1 373.441 0.511 10 0 FCAEMM CNS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1F ZINC000752629619 667523845 /nfs/dbraw/zinc/52/38/45/667523845.db2.gz MBRGZPWMOUHBMM-UHFFFAOYSA-N -1 1 368.394 0.446 10 0 FCAEMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC000921912424 667540543 /nfs/dbraw/zinc/54/05/43/667540543.db2.gz RJWFCRFVNQYJAJ-WHEQGISXSA-N -1 1 367.537 0.970 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)o1 ZINC000753743761 667564245 /nfs/dbraw/zinc/56/42/45/667564245.db2.gz RBJBJWIBHISCKG-AATRIKPKSA-N -1 1 373.431 0.998 10 0 FCAEMM COC(=O)c1cc(C)ccc1S(=O)(=O)NN=c1nc(OC)cc[n-]1 ZINC000753963418 667577212 /nfs/dbraw/zinc/57/72/12/667577212.db2.gz KJOMBWLNRWJDCR-UHFFFAOYSA-N -1 1 352.372 0.886 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000754715896 667607139 /nfs/dbraw/zinc/60/71/39/667607139.db2.gz FXFHSMVUQKVIBD-UHFFFAOYSA-N -1 1 351.359 0.871 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)N2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805125846 667711319 /nfs/dbraw/zinc/71/13/19/667711319.db2.gz LMGUQCXZIDMRMF-DCAQKATOSA-N -1 1 373.397 0.341 10 0 FCAEMM C[C@H]1CCN(C(=O)NCC[S@](C)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805127624 667713287 /nfs/dbraw/zinc/71/32/87/667713287.db2.gz QPWUWYVKSHDRKX-WUWNIZLQSA-N -1 1 357.398 0.852 10 0 FCAEMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867016363 667717682 /nfs/dbraw/zinc/71/76/82/667717682.db2.gz OJIOKBWNXQDIRN-QMMMGPOBSA-N -1 1 356.370 0.878 10 0 FCAEMM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867016614 667718107 /nfs/dbraw/zinc/71/81/07/667718107.db2.gz WQUGONAJLXGEIQ-UHFFFAOYSA-N -1 1 356.370 0.880 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000758506075 667768455 /nfs/dbraw/zinc/76/84/55/667768455.db2.gz XKMIHXBTLPBTMA-ISALQUGTSA-N -1 1 364.217 0.873 10 0 FCAEMM Cc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(Br)n1 ZINC000764063131 667971819 /nfs/dbraw/zinc/97/18/19/667971819.db2.gz NCXUESJTTSRANA-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM Cc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(Br)n1 ZINC000764063131 667971820 /nfs/dbraw/zinc/97/18/20/667971820.db2.gz NCXUESJTTSRANA-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM C[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000765497117 668008509 /nfs/dbraw/zinc/00/85/09/668008509.db2.gz QNQDZAWPBGLTCN-SNVBAGLBSA-N -1 1 368.415 0.206 10 0 FCAEMM CC[S@](=O)CCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000741420856 668019721 /nfs/dbraw/zinc/01/97/21/668019721.db2.gz LILCXMGKVUUAAJ-QFIPXVFZSA-N -1 1 363.461 0.957 10 0 FCAEMM O=S(=O)(c1ncc(-c2ccc(F)cc2)[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000774007463 668118043 /nfs/dbraw/zinc/11/80/43/668118043.db2.gz KUEXCWFCHHGZLV-RYUDHWBXSA-N -1 1 360.388 0.147 10 0 FCAEMM O=S(=O)(c1nc(-c2ccc(F)cc2)c[n-]1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000774007463 668118046 /nfs/dbraw/zinc/11/80/46/668118046.db2.gz KUEXCWFCHHGZLV-RYUDHWBXSA-N -1 1 360.388 0.147 10 0 FCAEMM O=S(=O)(c1ncc(-c2ccc(F)cc2)[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000774007462 668118201 /nfs/dbraw/zinc/11/82/01/668118201.db2.gz KUEXCWFCHHGZLV-NWDGAFQWSA-N -1 1 360.388 0.147 10 0 FCAEMM O=S(=O)(c1nc(-c2ccc(F)cc2)c[n-]1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000774007462 668118204 /nfs/dbraw/zinc/11/82/04/668118204.db2.gz KUEXCWFCHHGZLV-NWDGAFQWSA-N -1 1 360.388 0.147 10 0 FCAEMM CCCN(C)S(=O)(=O)[N-]c1nn(CCS(=O)(=O)CC)cc1C ZINC000782561243 668567698 /nfs/dbraw/zinc/56/76/98/668567698.db2.gz MRDXTYSLASTUJL-UHFFFAOYSA-N -1 1 352.482 0.625 10 0 FCAEMM CCCNC(=O)NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785396 668725949 /nfs/dbraw/zinc/72/59/49/668725949.db2.gz HSGYPBUSCSZYIR-NHCYSSNCSA-N -1 1 366.384 1.000 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000795057295 669006615 /nfs/dbraw/zinc/00/66/15/669006615.db2.gz PNSUNKKCHHYYPY-QMMMGPOBSA-N -1 1 373.435 0.792 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000795057295 669006623 /nfs/dbraw/zinc/00/66/23/669006623.db2.gz PNSUNKKCHHYYPY-QMMMGPOBSA-N -1 1 373.435 0.792 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(C)C2=O)c(F)cc1Cl ZINC000795847501 669065184 /nfs/dbraw/zinc/06/51/84/669065184.db2.gz TXQUISIRQKJHDC-JTQLQIEISA-N -1 1 364.782 0.775 10 0 FCAEMM COCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795974150 669074277 /nfs/dbraw/zinc/07/42/77/669074277.db2.gz BWKKAXKKRLGAJT-MRVPVSSYSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)c1ccc(C(=O)OCc2cn([C@@H]3COC[C@H]3OC)nn2)[n-]1 ZINC000797274643 669163184 /nfs/dbraw/zinc/16/31/84/669163184.db2.gz GDUZEHZWGZNPBN-CHWSQXEVSA-N -1 1 350.331 0.336 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCCS(=O)(=O)CC(F)(F)F)ccnc1-2 ZINC000823062493 669316536 /nfs/dbraw/zinc/31/65/36/669316536.db2.gz MJJAYAHXYGREDD-UHFFFAOYSA-N -1 1 365.337 0.440 10 0 FCAEMM COC(=O)[C@@H]1CSCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000839934975 669335023 /nfs/dbraw/zinc/33/50/23/669335023.db2.gz OOOYHIRPRODMQU-JTQLQIEISA-N -1 1 352.441 0.996 10 0 FCAEMM Cc1cnc(CCN(C)C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)s1 ZINC000806951319 669455320 /nfs/dbraw/zinc/45/53/20/669455320.db2.gz XBLJJFQUYGRURV-UHFFFAOYSA-N -1 1 358.427 0.746 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnnn2C)c(F)cc1Cl ZINC000808316277 669560807 /nfs/dbraw/zinc/56/08/07/669560807.db2.gz RRCQUAIENQZQRE-UHFFFAOYSA-N -1 1 362.770 0.873 10 0 FCAEMM COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810635552 669693657 /nfs/dbraw/zinc/69/36/57/669693657.db2.gz CIIYJMMILDCVOS-AWEZNQCLSA-N -1 1 354.444 0.308 10 0 FCAEMM Cn1cc(C[C@H](O)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000812277120 669794721 /nfs/dbraw/zinc/79/47/21/669794721.db2.gz ROBGOEBKOUMMCM-PWSUYJOCSA-N -1 1 362.352 0.241 10 0 FCAEMM Cn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])[nH]c1=O ZINC000831243799 669837099 /nfs/dbraw/zinc/83/70/99/669837099.db2.gz OKSXHPZOSQLATN-UHFFFAOYSA-N -1 1 366.399 0.868 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CCCCC1)C(=O)OCc1ccccc1 ZINC000814286858 669880128 /nfs/dbraw/zinc/88/01/28/669880128.db2.gz RMHOKGZYHIAOHX-ZFWWWQNUSA-N -1 1 356.444 0.800 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@H]1n1cccn1 ZINC000815109478 669900221 /nfs/dbraw/zinc/90/02/21/669900221.db2.gz DCMCMMRREJHPOV-HBNTYKKESA-N -1 1 359.839 0.967 10 0 FCAEMM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867106152 669940986 /nfs/dbraw/zinc/94/09/86/669940986.db2.gz WTNAGFVIUZQTHD-BDAKNGLRSA-N -1 1 357.354 0.911 10 0 FCAEMM CNC(=O)NCCC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000816671074 669969451 /nfs/dbraw/zinc/96/94/51/669969451.db2.gz MTFQJBAEUTWBHE-QXEWZRGKSA-N -1 1 352.357 0.610 10 0 FCAEMM COCC[C@@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000867198901 670069020 /nfs/dbraw/zinc/06/90/20/670069020.db2.gz BZMQSQBXWSKRNB-LLVKDONJSA-N -1 1 357.354 0.913 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC(F)(F)C2)o1 ZINC000837685768 670123210 /nfs/dbraw/zinc/12/32/10/670123210.db2.gz VVALYQVIUSMWHN-MRVPVSSYSA-N -1 1 366.342 0.635 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(C3CCOCC3)nn2)CCC1 ZINC000843014375 670766702 /nfs/dbraw/zinc/76/67/02/670766702.db2.gz OWCNFBZZCDPIAK-UHFFFAOYSA-N -1 1 371.463 0.174 10 0 FCAEMM C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018035 670767929 /nfs/dbraw/zinc/76/79/29/670767929.db2.gz LLBSDWDFRWPMKG-NSHDSACASA-N -1 1 363.480 0.830 10 0 FCAEMM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843019865 670769274 /nfs/dbraw/zinc/76/92/74/670769274.db2.gz ZQJTYIBKSYXWND-ZDUSSCGKSA-N -1 1 359.492 0.565 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)[C@@H](O)C(F)F ZINC000867331282 670847971 /nfs/dbraw/zinc/84/79/71/670847971.db2.gz RQDOCSKSXMPXOW-CAHLUQPWSA-N -1 1 362.196 0.866 10 0 FCAEMM CN1CC[C@H](C(=O)Nc2nc(Br)ccc2[O-])S1(=O)=O ZINC000843867336 670864210 /nfs/dbraw/zinc/86/42/10/670864210.db2.gz WLCRTSSQLFIDDK-SSDOTTSWSA-N -1 1 350.194 0.522 10 0 FCAEMM C[S@@](=O)(=NS(=O)(=O)[N-]CCN1CCC(O)CC1)c1ccccc1 ZINC000867362382 670932010 /nfs/dbraw/zinc/93/20/10/670932010.db2.gz VXEPGGCWDAUMFZ-QFIPXVFZSA-N -1 1 361.489 0.434 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)CCOCC1 ZINC000845939507 671054187 /nfs/dbraw/zinc/05/41/87/671054187.db2.gz JMHPTNGAAMDCGC-UKRRQHHQSA-N -1 1 357.428 0.596 10 0 FCAEMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000845975595 671060005 /nfs/dbraw/zinc/06/00/05/671060005.db2.gz KTMBWGCTAYBGQN-NSHDSACASA-N -1 1 353.412 0.931 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(n2)OCCO3)CCC1 ZINC000847735062 671221297 /nfs/dbraw/zinc/22/12/97/671221297.db2.gz LMOIWJGAOCHFRI-UHFFFAOYSA-N -1 1 355.416 0.397 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000848633700 671287170 /nfs/dbraw/zinc/28/71/70/671287170.db2.gz XACFKBNAATZWJI-OUAUKWLOSA-N -1 1 365.352 0.292 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849232904 671324070 /nfs/dbraw/zinc/32/40/70/671324070.db2.gz TXCBIBQSSIAWQM-IUCAKERBSA-N -1 1 360.354 0.712 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)c1Cl ZINC000849441510 671346088 /nfs/dbraw/zinc/34/60/88/671346088.db2.gz TWXKXGISUDVJHY-UHFFFAOYSA-N -1 1 369.774 0.329 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H](O)C(F)(F)F ZINC000867646064 671352967 /nfs/dbraw/zinc/35/29/67/671352967.db2.gz CBTHKYGDKQDBDI-UJURSFKZSA-N -1 1 366.159 0.773 10 0 FCAEMM COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)c(C)o1 ZINC000851103698 671428384 /nfs/dbraw/zinc/42/83/84/671428384.db2.gz GZGNJDOBCCXKNS-UHFFFAOYSA-N -1 1 358.416 0.919 10 0 FCAEMM CC(=O)N[C@H](CCC(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000851105981 671428490 /nfs/dbraw/zinc/42/84/90/671428490.db2.gz VAKDOUYXSDGBOA-CQSZACIVSA-N -1 1 361.508 0.858 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC000851700989 671460417 /nfs/dbraw/zinc/46/04/17/671460417.db2.gz QMIGQPYXPBYHSL-ZJUUUORDSA-N -1 1 361.276 0.056 10 0 FCAEMM CCc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC000851700861 671460517 /nfs/dbraw/zinc/46/05/17/671460517.db2.gz DEYMHNOGBYGETD-OIBJUYFYSA-N -1 1 363.292 0.973 10 0 FCAEMM CC[NH+](CC)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704389 671462485 /nfs/dbraw/zinc/46/24/85/671462485.db2.gz WBDSHEICKSSEIC-KOLCDFICSA-N -1 1 353.341 0.451 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(N)=O ZINC000852520284 671511574 /nfs/dbraw/zinc/51/15/74/671511574.db2.gz FTQWTGWUAQZOPZ-WCBMZHEXSA-N -1 1 353.341 0.325 10 0 FCAEMM CNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852521932 671511837 /nfs/dbraw/zinc/51/18/37/671511837.db2.gz WJGSLOFWYQVLCQ-KOLCDFICSA-N -1 1 367.368 0.586 10 0 FCAEMM CN(C)c1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852732323 671520079 /nfs/dbraw/zinc/52/00/79/671520079.db2.gz AUPPHCBMOWZEHN-VXNVDRBHSA-N -1 1 365.312 0.232 10 0 FCAEMM NS(=O)(=O)c1cc2c(s1)CCN(CCC[N-]C(=O)C(F)(F)F)C2 ZINC000852735865 671521568 /nfs/dbraw/zinc/52/15/68/671521568.db2.gz KCGXWYBMGHFMDL-UHFFFAOYSA-N -1 1 371.406 0.822 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@](C)(C(F)F)C3)ccnc1-2 ZINC000853999885 671563378 /nfs/dbraw/zinc/56/33/78/671563378.db2.gz RNUNMWNNJXLCBG-HNNXBMFYSA-N -1 1 353.329 0.163 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[S@@](=O)CC(F)(F)F)o1 ZINC000855274380 671634100 /nfs/dbraw/zinc/63/41/00/671634100.db2.gz KNNYAHHERQNHOJ-OAQYLSRUSA-N -1 1 362.351 0.229 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2nnn(C(C)(C)C)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856414115 671687232 /nfs/dbraw/zinc/68/72/32/671687232.db2.gz DAYISARZQNJMKK-BDAKNGLRSA-N -1 1 362.356 0.957 10 0 FCAEMM COC[C@]1(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CCOC1 ZINC000856416427 671687556 /nfs/dbraw/zinc/68/75/56/671687556.db2.gz ZAMHRKGRXNUOBE-UHIISALHSA-N -1 1 352.353 0.955 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1ccc(Br)nc1F)NCC1CC1 ZINC000859098442 671793526 /nfs/dbraw/zinc/79/35/26/671793526.db2.gz HTVQUQNPJPUWAH-UHFFFAOYSA-N -1 1 366.212 0.788 10 0 FCAEMM O=S(=O)([N-]CCCn1ccnn1)c1ccc(Br)nc1F ZINC000859103195 671793806 /nfs/dbraw/zinc/79/38/06/671793806.db2.gz IJSMDYVHECVTCQ-UHFFFAOYSA-N -1 1 364.200 0.943 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nc(N(C)C)no1 ZINC000859114445 671794360 /nfs/dbraw/zinc/79/43/60/671794360.db2.gz ISJFYPFTPUBCFO-ZDUSSCGKSA-N -1 1 372.422 0.952 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1ccc(Br)nc1F ZINC000859286682 671810027 /nfs/dbraw/zinc/81/00/27/671810027.db2.gz IWEFWHTZDSJTSA-JGVFFNPUSA-N -1 1 369.212 0.801 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000859343263 671817832 /nfs/dbraw/zinc/81/78/32/671817832.db2.gz YZDSDRDQHVBRID-VHSXEESVSA-N -1 1 365.839 0.710 10 0 FCAEMM COC(=O)c1oc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cc1C ZINC000860848302 671921721 /nfs/dbraw/zinc/92/17/21/671921721.db2.gz ZDJLHISSIHLMEB-UHFFFAOYSA-N -1 1 358.416 0.919 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)O1 ZINC000861771119 671993896 /nfs/dbraw/zinc/99/38/96/671993896.db2.gz FIRIZKMPIRFHKV-AXFHLTTASA-N -1 1 366.336 0.624 10 0 FCAEMM COC(=O)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCC1 ZINC000862955433 672090634 /nfs/dbraw/zinc/09/06/34/672090634.db2.gz RDAHWUDTROZRJI-CYBMUJFWSA-N -1 1 351.403 0.412 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1C(F)(F)F ZINC000866536618 672280899 /nfs/dbraw/zinc/28/08/99/672280899.db2.gz RZUWENGMAYSLBQ-UHFFFAOYSA-N -1 1 368.259 0.396 10 0 FCAEMM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)C1 ZINC000866617663 672284777 /nfs/dbraw/zinc/28/47/77/672284777.db2.gz NBUPARDOWBNQKG-AWEZNQCLSA-N -1 1 366.443 0.410 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1(N2CCCC2)CCOCC1 ZINC000866739455 672295246 /nfs/dbraw/zinc/29/52/46/672295246.db2.gz FZZBUOUEKZQBGD-NRFANRHFSA-N -1 1 353.510 0.584 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CCOC1 ZINC000867497517 672326491 /nfs/dbraw/zinc/32/64/91/672326491.db2.gz RBMVPTSRNFKOHU-DTWKUNHWSA-N -1 1 357.354 0.769 10 0 FCAEMM CCOC(=O)C1(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CCC1 ZINC000867502319 672326875 /nfs/dbraw/zinc/32/68/75/672326875.db2.gz RMCJLMWFPGMHMI-CYBMUJFWSA-N -1 1 366.439 0.979 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)CCn1cccn1 ZINC000867557857 672336777 /nfs/dbraw/zinc/33/67/77/672336777.db2.gz MHDLXLOMMACHQO-HNNXBMFYSA-N -1 1 367.427 0.595 10 0 FCAEMM CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2ccc(F)nc2F)CCCOC1 ZINC000867665199 672353706 /nfs/dbraw/zinc/35/37/06/672353706.db2.gz VTANNXHDMHDPOW-AWEZNQCLSA-N -1 1 364.370 0.998 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3ccc(Cl)nc3F)COCCN12 ZINC000867750131 672363257 /nfs/dbraw/zinc/36/32/57/672363257.db2.gz MCANTUWARBZLPY-GFCCVEGCSA-N -1 1 365.770 0.374 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000867762500 672364661 /nfs/dbraw/zinc/36/46/61/672364661.db2.gz DVSTUGQSNVPABM-VHSXEESVSA-N -1 1 357.375 0.646 10 0 FCAEMM O=C1COC[C@]2(C[N-]S(=O)(=O)c3sccc3Cl)COCCN12 ZINC000867790328 672367750 /nfs/dbraw/zinc/36/77/50/672367750.db2.gz SUPJAIWPSRBCOB-LBPRGKRZSA-N -1 1 366.848 0.308 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871997196 672592150 /nfs/dbraw/zinc/59/21/50/672592150.db2.gz PRGIEJBUZVUXNZ-CFVMTHIKSA-N -1 1 356.444 0.668 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871997195 672592200 /nfs/dbraw/zinc/59/22/00/672592200.db2.gz PRGIEJBUZVUXNZ-AEGPPILISA-N -1 1 356.444 0.668 10 0 FCAEMM CN1C[C@@H](CCNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000924758905 673763455 /nfs/dbraw/zinc/76/34/55/673763455.db2.gz AOJVSHQQWVVBMB-VIFPVBQESA-N -1 1 350.341 0.175 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927785980 673881518 /nfs/dbraw/zinc/88/15/18/673881518.db2.gz OSZODJRFJVEKDI-JTQLQIEISA-N -1 1 363.386 0.546 10 0 FCAEMM O=C(NCCCn1ccnc1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929100022 673938350 /nfs/dbraw/zinc/93/83/50/673938350.db2.gz NDQZNFRXJSKHTA-UHFFFAOYSA-N -1 1 352.341 0.732 10 0 FCAEMM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)C1=O ZINC000801713940 675803162 /nfs/dbraw/zinc/80/31/62/675803162.db2.gz MGSMMVKJRUJUBI-VIFPVBQESA-N -1 1 362.354 0.651 10 0 FCAEMM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)C1=O ZINC000801713936 675803246 /nfs/dbraw/zinc/80/32/46/675803246.db2.gz MGSMMVKJRUJUBI-SECBINFHSA-N -1 1 362.354 0.651 10 0 FCAEMM O=C(C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC001625790903 1167850163 /nfs/dbraw/zinc/85/01/63/1167850163.db2.gz VGFMMELOYFLUKC-HIFRSBDPSA-N -1 1 367.423 0.770 10 0 FCAEMM O=C(COCC(F)F)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001719578767 1168246398 /nfs/dbraw/zinc/24/63/98/1168246398.db2.gz KERHBYIGRAHCLD-NEPJUHHUSA-N -1 1 369.368 0.989 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCN(C2CCC2)C1=O ZINC001687219714 1169996050 /nfs/dbraw/zinc/99/60/50/1169996050.db2.gz XVEOLJRZIWOVAA-ZDUSSCGKSA-N -1 1 361.402 0.208 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001719629076 1170846806 /nfs/dbraw/zinc/84/68/06/1170846806.db2.gz CQLYSYXGYXKXNC-SYQHCUMBSA-N -1 1 362.430 0.078 10 0 FCAEMM Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC001167730889 1182922682 /nfs/dbraw/zinc/92/26/82/1182922682.db2.gz NVTOUYHOJLWHGH-QGZVFWFLSA-N -1 1 368.393 0.525 10 0 FCAEMM Cc1c(C(=O)[N-]NC(=O)c2cn[nH]n2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066838796 1183107886 /nfs/dbraw/zinc/10/78/86/1183107886.db2.gz VRMTYQXXZULFSG-UHFFFAOYSA-N -1 1 370.373 0.556 10 0 FCAEMM CCn1c(CCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[n-]c1=S ZINC000067077938 1187536853 /nfs/dbraw/zinc/53/68/53/1187536853.db2.gz QCTGIHCDHKFZTA-UHFFFAOYSA-N -1 1 374.426 0.323 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CCNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001269766976 1187867149 /nfs/dbraw/zinc/86/71/49/1187867149.db2.gz YYSVLAWHPZMZII-XQQFMLRXSA-N -1 1 364.450 0.130 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@H](CCC(=O)NN2CC(=O)[N-]C2=O)COC1(C)C ZINC000843768525 1188342636 /nfs/dbraw/zinc/34/26/36/1188342636.db2.gz YGGHGFBLDBLGER-SNVBAGLBSA-N -1 1 370.406 0.722 10 0 FCAEMM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]C2=NCC(=O)N2C)cc1 ZINC000898775756 1194075784 /nfs/dbraw/zinc/07/57/84/1194075784.db2.gz UQBXCKIBDNJQRY-UHFFFAOYSA-N -1 1 368.340 0.190 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000908573665 1195754567 /nfs/dbraw/zinc/75/45/67/1195754567.db2.gz UGBGWAYPMMWNDX-GOSISDBHSA-N -1 1 374.485 0.888 10 0 FCAEMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)O1 ZINC000911420541 1195952311 /nfs/dbraw/zinc/95/23/11/1195952311.db2.gz CMOLXKQPTMHDTM-LUKYLMHMSA-N -1 1 362.426 0.618 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CN(C)CCO3)n[nH]2)cc1C ZINC000151076377 1196392208 /nfs/dbraw/zinc/39/22/08/1196392208.db2.gz LNQREGSCLCWKPP-MRXNPFEDSA-N -1 1 357.414 0.785 10 0 FCAEMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cc(Cn3cccn3)on2)n1 ZINC000592652330 1196572769 /nfs/dbraw/zinc/57/27/69/1196572769.db2.gz BJFSYEWMEKHYES-UHFFFAOYSA-N -1 1 373.373 1.105 10 0 FCAEMM CCN1CCN(CC(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)CC1 ZINC000913559806 1196889183 /nfs/dbraw/zinc/88/91/83/1196889183.db2.gz PSPGHXQZPXOJQN-HNNXBMFYSA-N -1 1 358.446 0.548 10 0 FCAEMM Cn1ccnc1C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742857695 1198221752 /nfs/dbraw/zinc/22/17/52/1198221752.db2.gz HVCIIWXYRCHBPP-HNNXBMFYSA-N -1 1 367.409 0.760 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000787663554 1200897702 /nfs/dbraw/zinc/89/77/02/1200897702.db2.gz WKKJWNIACRHCNY-MNOVXSKESA-N -1 1 366.418 0.800 10 0 FCAEMM COc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)c(OC)c(C)c1OC ZINC000794392081 1201293134 /nfs/dbraw/zinc/29/31/34/1201293134.db2.gz VJCVAFACGNPAEG-UHFFFAOYSA-N -1 1 363.370 0.900 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccnc1-2 ZINC000806482410 1202744902 /nfs/dbraw/zinc/74/49/02/1202744902.db2.gz PMYVYIPPJGHBTO-ZDUSSCGKSA-N -1 1 372.429 0.445 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@]4(CCCOC4)C3)ccnc1-2 ZINC000806926935 1202789305 /nfs/dbraw/zinc/78/93/05/1202789305.db2.gz XNONHMLSVBLKLB-SFHVURJKSA-N -1 1 357.414 0.700 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC(C)(C)[C@@H]3CCCCO3)ccnc1-2 ZINC000806939526 1202797640 /nfs/dbraw/zinc/79/76/40/1202797640.db2.gz PZZNJPXNAOVLQJ-AWEZNQCLSA-N -1 1 359.430 0.992 10 0 FCAEMM COc1ccc2c(c1)CCN2C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807047347 1202809566 /nfs/dbraw/zinc/80/95/66/1202809566.db2.gz XJIHNNBTTAWYPQ-UHFFFAOYSA-N -1 1 351.366 0.878 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000813084072 1202990808 /nfs/dbraw/zinc/99/08/08/1202990808.db2.gz GOWNNTJZGNBUQL-LLVKDONJSA-N -1 1 373.335 0.838 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)nc2n1 ZINC000813377456 1202994229 /nfs/dbraw/zinc/99/42/29/1202994229.db2.gz GAXFRKUIQVJPFW-LBPRGKRZSA-N -1 1 356.317 0.997 10 0 FCAEMM C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000819682368 1203167536 /nfs/dbraw/zinc/16/75/36/1203167536.db2.gz YPNOGAFTVBSIFF-JSGCOSHPSA-N -1 1 365.430 0.896 10 0 FCAEMM C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2N1 ZINC001144255452 1204443707 /nfs/dbraw/zinc/44/37/07/1204443707.db2.gz YJNUTPLLJUTYKE-QNSHHTMESA-N -1 1 368.348 0.620 10 0 FCAEMM C[C@@]1(C2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)NC(=O)NC1=O ZINC001148005807 1204816518 /nfs/dbraw/zinc/81/65/18/1204816518.db2.gz FAUVVNOCXDYWSZ-KRWDZBQOSA-N -1 1 359.386 0.510 10 0 FCAEMM C[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001174931720 1206297250 /nfs/dbraw/zinc/29/72/50/1206297250.db2.gz UZYQTYDBQIRYOR-WXHSDQCUSA-N -1 1 360.418 0.469 10 0 FCAEMM Cc1cc(C)cc(C(=O)NCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001175203953 1206300936 /nfs/dbraw/zinc/30/09/36/1206300936.db2.gz GCHDBRVMKDTNTA-UHFFFAOYSA-N -1 1 370.409 0.918 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC001175345431 1206303705 /nfs/dbraw/zinc/30/37/05/1206303705.db2.gz PICDMSLOQYUMRC-DYVFJYSZSA-N -1 1 373.413 0.100 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001175345434 1206303761 /nfs/dbraw/zinc/30/37/61/1206303761.db2.gz PICDMSLOQYUMRC-SUMWQHHRSA-N -1 1 373.413 0.100 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CC[C@H](c3nn[n-]n3)C2)=NO1 ZINC001175564101 1206306205 /nfs/dbraw/zinc/30/62/05/1206306205.db2.gz ZLHACSMPXHWQNC-VHSXEESVSA-N -1 1 365.394 0.185 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001176594888 1206315593 /nfs/dbraw/zinc/31/55/93/1206315593.db2.gz YTNJQFNTQBJFOJ-CQSZACIVSA-N -1 1 370.417 0.305 10 0 FCAEMM CC(C)(C)OC(=O)NCCOCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177866870 1206347868 /nfs/dbraw/zinc/34/78/68/1206347868.db2.gz RICHWJIIUGQXDA-LBPRGKRZSA-N -1 1 368.438 0.522 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C=C(C)C)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001489982038 1209194845 /nfs/dbraw/zinc/19/48/45/1209194845.db2.gz SBVOZPCPHYDCBE-WCQYABFASA-N -1 1 358.402 0.493 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)C=C(C)C)[C@H]1C ZINC001490071920 1209212450 /nfs/dbraw/zinc/21/24/50/1209212450.db2.gz YBIYGCVKCBUJJV-ZJUUUORDSA-N -1 1 350.375 0.582 10 0 FCAEMM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001490607838 1209387038 /nfs/dbraw/zinc/38/70/38/1209387038.db2.gz AIPWWPFNTCVJFU-AGIUHOORSA-N -1 1 374.441 0.811 10 0 FCAEMM NC(=O)c1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000007111005 1209398777 /nfs/dbraw/zinc/39/87/77/1209398777.db2.gz KRRKQNCTLDXBOB-UHFFFAOYSA-N -1 1 356.334 0.664 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(O)CCC(F)(F)CC3)ccnc1-2 ZINC000850699809 1209484176 /nfs/dbraw/zinc/48/41/76/1209484176.db2.gz JUKHHYMTWPDEFG-UHFFFAOYSA-N -1 1 367.356 0.337 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)nc1=O ZINC000859773174 1209829267 /nfs/dbraw/zinc/82/92/67/1209829267.db2.gz YQAFKVHPURNRFD-HWPZZCPQSA-N -1 1 368.390 0.178 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCc2nn[n-]n2)C1 ZINC000860838486 1209856697 /nfs/dbraw/zinc/85/66/97/1209856697.db2.gz PZQRWRIBKZBDGK-GUYCJALGSA-N -1 1 374.401 0.632 10 0 FCAEMM NC(=O)[C@H](NC(=O)c1cnncc1[O-])c1cccc(Br)c1 ZINC001626118804 1210037607 /nfs/dbraw/zinc/03/76/07/1210037607.db2.gz MZWNRJRNDLPZRE-LLVKDONJSA-N -1 1 351.160 0.901 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)Cn1ncc2ccccc21 ZINC000126359218 1210437888 /nfs/dbraw/zinc/43/78/88/1210437888.db2.gz RANXFYCVKYOKCJ-UHFFFAOYSA-N -1 1 352.354 0.862 10 0 FCAEMM O=C(NCCCN1CCCC1=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929096655 1211616639 /nfs/dbraw/zinc/61/66/39/1211616639.db2.gz LDXAWDPARLNLQH-UHFFFAOYSA-N -1 1 369.368 0.458 10 0 FCAEMM COC[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@H]1CCCO1 ZINC000930520153 1211711656 /nfs/dbraw/zinc/71/16/56/1211711656.db2.gz OOGPRAPDYBKRCL-HUUCEWRRSA-N -1 1 372.368 0.639 10 0 FCAEMM CN1C[C@@H](CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC000931651802 1211768156 /nfs/dbraw/zinc/76/81/56/1211768156.db2.gz BDADOZAFKZEKDG-JTQLQIEISA-N -1 1 369.368 0.314 10 0 FCAEMM COC(=O)c1cnccc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000800228434 1217953435 /nfs/dbraw/zinc/95/34/35/1217953435.db2.gz UHMPHVVCPZXDHV-UHFFFAOYSA-N -1 1 372.333 0.990 10 0 FCAEMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCO[C@H](C(F)F)C1 ZINC000801421423 1218114396 /nfs/dbraw/zinc/11/43/96/1218114396.db2.gz VKHVMRWIRMJKEV-NSHDSACASA-N -1 1 365.340 0.983 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccnc1-2 ZINC000801703299 1218145928 /nfs/dbraw/zinc/14/59/28/1218145928.db2.gz HBOWNRKFDBGJPW-UHFFFAOYSA-N -1 1 350.338 0.396 10 0 FCAEMM CCOC(=O)C1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCOCC1 ZINC000803831636 1218527654 /nfs/dbraw/zinc/52/76/54/1218527654.db2.gz WYPJFBPHLLDTGN-UHFFFAOYSA-N -1 1 363.366 0.846 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(OCC(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000748541636 1218778102 /nfs/dbraw/zinc/77/81/02/1218778102.db2.gz PMRSFCJLLXMBHB-UHFFFAOYSA-N -1 1 366.422 0.721 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ccncc1[O-] ZINC000755639195 1220144345 /nfs/dbraw/zinc/14/43/45/1220144345.db2.gz PXJPAXDHPKAUKU-LBPRGKRZSA-N -1 1 364.402 0.663 10 0 FCAEMM O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148061 1221280749 /nfs/dbraw/zinc/28/07/49/1221280749.db2.gz LGYLYBFRGPOPRR-CHWSQXEVSA-N -1 1 371.397 0.585 10 0 FCAEMM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001123910137 1222365880 /nfs/dbraw/zinc/36/58/80/1222365880.db2.gz HQFMCTPMHDGBOS-CYBMUJFWSA-N -1 1 352.398 0.996 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001138058371 1222476464 /nfs/dbraw/zinc/47/64/64/1222476464.db2.gz XGNNYKGMVMSQEZ-GLKRBJQHSA-N -1 1 368.438 0.522 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001139431857 1222550038 /nfs/dbraw/zinc/55/00/38/1222550038.db2.gz QTGUEXVUERYLOU-QWRGUYRKSA-N -1 1 350.371 0.699 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@@H]2CCOC[C@H]2OC)cc1 ZINC000838012034 1222667000 /nfs/dbraw/zinc/66/70/00/1222667000.db2.gz OKLQJLSZXLFLDH-DZGCQCFKSA-N -1 1 365.382 0.936 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cn(CC3CC3)nn2)cc1 ZINC000838221078 1222673955 /nfs/dbraw/zinc/67/39/55/1222673955.db2.gz SXGAOKVTVDXFGF-UHFFFAOYSA-N -1 1 358.354 0.810 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(C1)CNC(=O)O2 ZINC001142625495 1222844999 /nfs/dbraw/zinc/84/49/99/1222844999.db2.gz MNSVNYFCSIRUSL-UHFFFAOYSA-N -1 1 355.354 0.004 10 0 FCAEMM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC001164445893 1223238526 /nfs/dbraw/zinc/23/85/26/1223238526.db2.gz UEEGKBZMSNAQPZ-GFCCVEGCSA-N -1 1 356.382 0.410 10 0 FCAEMM COC(=O)C(C)(C)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000766162557 1245306630 /nfs/dbraw/zinc/30/66/30/1245306630.db2.gz JKGKJVDQIWETHN-OAHLLOKOSA-N -1 1 373.409 0.983 10 0 FCAEMM COC(=O)c1ccc(C(=O)O[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)[n-]1 ZINC000849782384 1245415122 /nfs/dbraw/zinc/41/51/22/1245415122.db2.gz XONIBBCQTJDCEM-LBPRGKRZSA-N -1 1 366.370 0.901 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001515261665 1265484980 /nfs/dbraw/zinc/48/49/80/1265484980.db2.gz BAJIDASMWBUSPW-BZPMIXESSA-N -1 1 362.430 0.669 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)cc1 ZINC001515747313 1265523500 /nfs/dbraw/zinc/52/35/00/1265523500.db2.gz DEFRYUFTBAAWQR-UHFFFAOYSA-N -1 1 353.390 0.266 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)cc1 ZINC001515747313 1265523503 /nfs/dbraw/zinc/52/35/03/1265523503.db2.gz DEFRYUFTBAAWQR-UHFFFAOYSA-N -1 1 353.390 0.266 10 0 FCAEMM CO[C@@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H]1CCOC1 ZINC001328437434 1265548043 /nfs/dbraw/zinc/54/80/43/1265548043.db2.gz FMPKVRLFBZLVNA-HOCLYGCPSA-N -1 1 372.425 0.851 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCS(C)(=O)=O ZINC001519770711 1265768211 /nfs/dbraw/zinc/76/82/11/1265768211.db2.gz OKHGGKMKIXSYPB-NWDGAFQWSA-N -1 1 369.443 0.331 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC001329527472 1265776127 /nfs/dbraw/zinc/77/61/27/1265776127.db2.gz VHRXQARVWJTTFD-UHFFFAOYSA-N -1 1 361.358 0.550 10 0 FCAEMM O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235542204 1259576202 /nfs/dbraw/zinc/57/62/02/1259576202.db2.gz AXWIIBLBEYERLH-CYBMUJFWSA-N -1 1 361.402 0.208 10 0 FCAEMM COC(=O)[C@](C)([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC001335531035 1259701317 /nfs/dbraw/zinc/70/13/17/1259701317.db2.gz QQEMUXOBPDDWHC-RHSMWYFYSA-N -1 1 366.439 0.758 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001252015623 1259772501 /nfs/dbraw/zinc/77/25/01/1259772501.db2.gz VKBUCKKUTSGQPS-ZDUSSCGKSA-N -1 1 355.398 0.420 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1cncn1C ZINC001522011466 1266297825 /nfs/dbraw/zinc/29/78/25/1266297825.db2.gz CFXKUJBNGLHYIS-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001282138905 1261353908 /nfs/dbraw/zinc/35/39/08/1261353908.db2.gz ZRHXSRQGEUDMPV-LTJOXERKSA-N -1 1 364.402 0.877 10 0 FCAEMM CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001522183928 1266405443 /nfs/dbraw/zinc/40/54/43/1266405443.db2.gz QXEBXVFTANQAGU-RDBSUJKOSA-N -1 1 362.430 0.365 10 0 FCAEMM CCCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001522187504 1266406799 /nfs/dbraw/zinc/40/67/99/1266406799.db2.gz FMGZQWLTQIDYSL-RDBSUJKOSA-N -1 1 374.441 0.955 10 0 FCAEMM Cc1nnc(COCC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)s1 ZINC001472061804 1261429797 /nfs/dbraw/zinc/42/97/97/1261429797.db2.gz PRHKCHWGGLAKHO-UHFFFAOYSA-N -1 1 353.404 0.574 10 0 FCAEMM CNc1nnc(CC(=O)N2CCC[C@@H]2c2ncc(OC)c(=O)[n-]2)s1 ZINC001472259413 1261455972 /nfs/dbraw/zinc/45/59/72/1261455972.db2.gz ZBDUFBXIGIEDEI-MRVPVSSYSA-N -1 1 350.404 0.990 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)[C@@H]1CCOC1 ZINC001472398210 1261463441 /nfs/dbraw/zinc/46/34/41/1261463441.db2.gz CWDISKWFIFEQQS-ZJUUUORDSA-N -1 1 355.416 0.768 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC001282526569 1261505908 /nfs/dbraw/zinc/50/59/08/1261505908.db2.gz JMYPYDOMUAULRZ-JHJVBQTASA-N -1 1 360.414 0.280 10 0 FCAEMM COCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001282540230 1261516239 /nfs/dbraw/zinc/51/62/39/1261516239.db2.gz QGNPYPKZKNLDIO-DGCLKSJQSA-N -1 1 362.430 0.920 10 0 FCAEMM CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282645152 1261566764 /nfs/dbraw/zinc/56/67/64/1261566764.db2.gz BFMYMDIETUQXKG-RDBSUJKOSA-N -1 1 363.414 0.702 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282710652 1261592849 /nfs/dbraw/zinc/59/28/49/1261592849.db2.gz AWQVQVGVGQYWJK-SFTQSGBHSA-N -1 1 372.429 0.716 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC=CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001285597090 1261858761 /nfs/dbraw/zinc/85/87/61/1261858761.db2.gz ZKADRVIYEJRXKP-XIGAGKQESA-N -1 1 362.386 0.489 10 0 FCAEMM CC/C(C)=C/C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001289074855 1262094222 /nfs/dbraw/zinc/09/42/22/1262094222.db2.gz KGKGHFXNJPYXHG-NQCFCXBZSA-N -1 1 360.414 0.717 10 0 FCAEMM CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001290582015 1262471392 /nfs/dbraw/zinc/47/13/92/1262471392.db2.gz GTWACKAPKNBFCS-UTLUCORTSA-N -1 1 368.390 0.041 10 0 FCAEMM CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001292274341 1262676661 /nfs/dbraw/zinc/67/66/61/1262676661.db2.gz UZBIIZNDUPNKSX-SGTLLEGYSA-N -1 1 360.414 0.424 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001292813213 1262702375 /nfs/dbraw/zinc/70/23/75/1262702375.db2.gz SUEUEFTZTIUSCY-OUAUKWLOSA-N -1 1 362.386 0.345 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001295759383 1262778564 /nfs/dbraw/zinc/77/85/64/1262778564.db2.gz QXZYDGUMXJVTMI-LLVKDONJSA-N -1 1 361.406 0.871 10 0 FCAEMM COC(=O)N1CCC([C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001296638939 1262829533 /nfs/dbraw/zinc/82/95/33/1262829533.db2.gz LJHLWJUGSKOSHB-NSHDSACASA-N -1 1 364.402 0.500 10 0 FCAEMM O=Cc1ccc(OC(F)(F)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001296954327 1262843448 /nfs/dbraw/zinc/84/34/48/1262843448.db2.gz SPLLHVJMPYOISE-UHFFFAOYSA-N -1 1 367.312 0.494 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1O[C@H]1CC(=O)N1 ZINC001299653085 1262973772 /nfs/dbraw/zinc/97/37/72/1262973772.db2.gz YICAQXSFGQKEHX-HNNXBMFYSA-N -1 1 356.338 0.381 10 0 FCAEMM CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H](Cc2ccccc2)C1 ZINC001300287617 1262986140 /nfs/dbraw/zinc/98/61/40/1262986140.db2.gz GNBJAHFIKMPQIK-INIZCTEOSA-N -1 1 368.437 0.902 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001302509704 1263049406 /nfs/dbraw/zinc/04/94/06/1263049406.db2.gz LZVXISSWBPWVGX-CABCVRRESA-N -1 1 358.398 0.439 10 0 FCAEMM COC(=O)[C@H](CC1OCCO1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC001302832563 1263060244 /nfs/dbraw/zinc/06/02/44/1263060244.db2.gz MXKJBGNLUUNIDD-JTQLQIEISA-N -1 1 367.402 0.823 10 0 FCAEMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[C@@H](c3nn[n-]n3)C1)C2=O ZINC001302935522 1263065036 /nfs/dbraw/zinc/06/50/36/1263065036.db2.gz ASFWNKRJBNOVJY-GLKRBJQHSA-N -1 1 361.406 0.016 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@@H]1C1OCCO1 ZINC001479157968 1263173921 /nfs/dbraw/zinc/17/39/21/1263173921.db2.gz QNTCTLCHZLHNHO-GFCCVEGCSA-N -1 1 350.375 0.302 10 0 FCAEMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479159254 1263174276 /nfs/dbraw/zinc/17/42/76/1263174276.db2.gz YFELZOPPOVQUTA-OUAUKWLOSA-N -1 1 363.418 0.404 10 0 FCAEMM CC[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1c1ccccc1 ZINC001316643557 1263391421 /nfs/dbraw/zinc/39/14/21/1263391421.db2.gz FOPSUOXWZNPTEU-SOUVJXGZSA-N -1 1 361.421 0.941 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001491754651 1263621118 /nfs/dbraw/zinc/62/11/18/1263621118.db2.gz MXVZTSGBTINEDI-QWRGUYRKSA-N -1 1 364.402 0.569 10 0 FCAEMM Cc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001321291404 1263931406 /nfs/dbraw/zinc/93/14/06/1263931406.db2.gz RITKTPUTRYKQSI-MEGKRXCUSA-N -1 1 355.442 0.983 10 0 FCAEMM O=C(NCCN(C(=O)c1cc(=O)n2[n-]cnc2n1)C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC001497456913 1263933184 /nfs/dbraw/zinc/93/31/84/1263933184.db2.gz WUQYQRBPAVKAEZ-QWHCGFSZSA-N -1 1 370.413 0.185 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCN(c3cnccn3)CC2)n[n-]1 ZINC001321793462 1264064661 /nfs/dbraw/zinc/06/46/61/1264064661.db2.gz FITFAGDRDOHYQD-UHFFFAOYSA-N -1 1 359.390 0.304 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCN(c3cnccn3)CC2)n1 ZINC001321793462 1264064667 /nfs/dbraw/zinc/06/46/67/1264064667.db2.gz FITFAGDRDOHYQD-UHFFFAOYSA-N -1 1 359.390 0.304 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC001321817504 1264071120 /nfs/dbraw/zinc/07/11/20/1264071120.db2.gz OZRINSYHLUNFEU-UHFFFAOYSA-N -1 1 364.402 0.761 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc4c3OCC[C@@H]4O)ccnc1-2 ZINC001323697727 1264488489 /nfs/dbraw/zinc/48/84/89/1264488489.db2.gz BXQWLZNRLLSGDF-AWEZNQCLSA-N -1 1 367.365 0.735 10 0 FCAEMM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1ccncc1 ZINC001512987288 1264799329 /nfs/dbraw/zinc/79/93/29/1264799329.db2.gz FZERCECFNBRVNV-XNRPHZJLSA-N -1 1 370.409 0.678 10 0 FCAEMM CN1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001326990671 1265213120 /nfs/dbraw/zinc/21/31/20/1265213120.db2.gz JMOVAGBGSAUDJP-UONOGXRCSA-N -1 1 374.441 0.746 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC(C)C)C1 ZINC001514976848 1265388561 /nfs/dbraw/zinc/38/85/61/1265388561.db2.gz OLNFGEWKTQUEPO-WDEREUQCSA-N -1 1 366.418 0.957 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001526631295 1266823080 /nfs/dbraw/zinc/82/30/80/1266823080.db2.gz NRUUWLABHJXQAZ-LJISPDSOSA-N -1 1 374.441 0.150 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)c2nn[nH]n2)C1 ZINC001528748696 1266994588 /nfs/dbraw/zinc/99/45/88/1266994588.db2.gz ABSFJZMJEJFWBY-CXAGYDPISA-N -1 1 374.401 0.979 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)c2nn[n-]n2)C1 ZINC001528748696 1266994597 /nfs/dbraw/zinc/99/45/97/1266994597.db2.gz ABSFJZMJEJFWBY-CXAGYDPISA-N -1 1 374.401 0.979 10 0 FCAEMM CCOc1cc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc(Cl)c1[O-] ZINC001529084597 1267024839 /nfs/dbraw/zinc/02/48/39/1267024839.db2.gz QXMMNJDHJJRWIR-QGZVFWFLSA-N -1 1 370.833 0.963 10 0 FCAEMM CN(C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2)c1nn[n-]n1 ZINC001532085808 1267160203 /nfs/dbraw/zinc/16/02/03/1267160203.db2.gz VARIYDOODCFOAI-ZUZCIYMTSA-N -1 1 352.395 0.436 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)C3(c4cc(C)no4)CCOCC3)nc2n1 ZINC001533839336 1267241673 /nfs/dbraw/zinc/24/16/73/1267241673.db2.gz ODALRKKSUKPMAV-UHFFFAOYSA-N -1 1 372.385 0.963 10 0 FCAEMM CO[C@]1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCOC1 ZINC001334951945 1267246204 /nfs/dbraw/zinc/24/62/04/1267246204.db2.gz UPJAIRKKYMFVRB-INIZCTEOSA-N -1 1 358.341 0.251 10 0 FCAEMM C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001534168120 1267252869 /nfs/dbraw/zinc/25/28/69/1267252869.db2.gz NIZBDQYXRCRNHX-QNWHQSFQSA-N -1 1 370.413 0.254 10 0 FCAEMM CN1CCN(Cc2ccc(C(=O)N3CCO[C@](C)(C(=O)[O-])C3)cc2)CC1 ZINC001335004472 1267273781 /nfs/dbraw/zinc/27/37/81/1267273781.db2.gz YTRSPXBULXZRHJ-IBGZPJMESA-N -1 1 361.442 0.750 10 0 FCAEMM COC(=O)[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2O1 ZINC001540689505 1267458747 /nfs/dbraw/zinc/45/87/47/1267458747.db2.gz NRFNZXGOVPPOAX-CQSZACIVSA-N -1 1 371.349 0.484 10 0 FCAEMM O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001542787267 1267506850 /nfs/dbraw/zinc/50/68/50/1267506850.db2.gz LTTPJWWUKBGWFS-UHFFFAOYSA-N -1 1 371.397 0.497 10 0 FCAEMM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001542854848 1267509400 /nfs/dbraw/zinc/50/94/00/1267509400.db2.gz QGXVWOFJYMZIIE-UHFFFAOYSA-N -1 1 373.340 0.958 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001543062897 1267521456 /nfs/dbraw/zinc/52/14/56/1267521456.db2.gz HZKCASXPTFKVBG-STQMWFEESA-N -1 1 353.444 0.440 10 0 FCAEMM O=C(CN1CCN(C(=O)c2cccc([O-])c2F)CC1)Nc1nncs1 ZINC001543640932 1267554772 /nfs/dbraw/zinc/55/47/72/1267554772.db2.gz LMCDKEJTQCDLEE-UHFFFAOYSA-N -1 1 365.390 0.779 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544959860 1267599436 /nfs/dbraw/zinc/59/94/36/1267599436.db2.gz YUXBPFRIFNISAV-JTQLQIEISA-N -1 1 355.445 0.172 10 0 FCAEMM C[C@H]1CN(Cc2csc(NC(=O)CCc3nn[n-]n3)n2)C[C@H](C)O1 ZINC001545036035 1267602484 /nfs/dbraw/zinc/60/24/84/1267602484.db2.gz LZIDMQKPUZLYFN-UWVGGRQHSA-N -1 1 351.436 0.837 10 0 FCAEMM O=C(CC1(O)CCOCC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001546114458 1267636408 /nfs/dbraw/zinc/63/64/08/1267636408.db2.gz NUJNCTQYGDKGQB-UHFFFAOYSA-N -1 1 370.427 0.703 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC001556563186 1268865654 /nfs/dbraw/zinc/86/56/54/1268865654.db2.gz JKKBEBHLNRGFGV-GLEZIHRCSA-N -1 1 365.415 0.372 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC001556730586 1268887587 /nfs/dbraw/zinc/88/75/87/1268887587.db2.gz RDLHBYKWNUSXKP-NSHDSACASA-N -1 1 350.375 0.273 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001556818963 1268898326 /nfs/dbraw/zinc/89/83/26/1268898326.db2.gz ZNOHJMGQDGDZJX-KSSFIOAISA-N -1 1 361.373 0.253 10 0 FCAEMM CN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)c1nn[n-]n1 ZINC001557698236 1268967926 /nfs/dbraw/zinc/96/79/26/1268967926.db2.gz VGIAERTWHOWDMV-AWEZNQCLSA-N -1 1 356.358 0.138 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)o1 ZINC001557709587 1268970907 /nfs/dbraw/zinc/97/09/07/1268970907.db2.gz YAUFWENQXHKGKV-LLVKDONJSA-N -1 1 353.404 0.647 10 0 FCAEMM COc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc2c1OCCO2 ZINC001558047744 1269012020 /nfs/dbraw/zinc/01/20/20/1269012020.db2.gz BAYFXMDFQIMDOJ-UHFFFAOYSA-N -1 1 373.365 0.965 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NC2(c3nn[n-]n3)CCC2)C1 ZINC001558173279 1269044554 /nfs/dbraw/zinc/04/45/54/1269044554.db2.gz JKVIZYNYVIUNBJ-OAHLLOKOSA-N -1 1 366.422 0.457 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001558203585 1269055114 /nfs/dbraw/zinc/05/51/14/1269055114.db2.gz KZYWVZCIKKNBCT-CYBMUJFWSA-N -1 1 351.790 0.300 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC(CO)(CO)C1 ZINC001558288458 1269063296 /nfs/dbraw/zinc/06/32/96/1269063296.db2.gz PWGZJLZOWDJVIO-UHFFFAOYSA-N -1 1 358.398 0.298 10 0 FCAEMM COC[C@@H](NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C)c1nn[n-]n1 ZINC001558339810 1269068716 /nfs/dbraw/zinc/06/87/16/1269068716.db2.gz MZZLZEVRIFMJMA-CQSZACIVSA-N -1 1 356.390 0.444 10 0 FCAEMM COC(=O)/C=C/[C@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001558833192 1269147665 /nfs/dbraw/zinc/14/76/65/1269147665.db2.gz AGVMDTNWNBXKNW-ZWNMCFTASA-N -1 1 356.382 0.917 10 0 FCAEMM CCOC(=O)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC001558922174 1269154485 /nfs/dbraw/zinc/15/44/85/1269154485.db2.gz RYBBKHQENPAPHZ-SNVBAGLBSA-N -1 1 352.372 0.494 10 0 FCAEMM CCOC(=O)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC001558922174 1269154489 /nfs/dbraw/zinc/15/44/89/1269154489.db2.gz RYBBKHQENPAPHZ-SNVBAGLBSA-N -1 1 352.372 0.494 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC[C@H]1COCCN1C ZINC001565216387 1269456940 /nfs/dbraw/zinc/45/69/40/1269456940.db2.gz VJPHOOIXWLUHSA-SRVKXCTJSA-N -1 1 366.384 0.558 10 0 FCAEMM CCOC(=O)[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001565248083 1269459655 /nfs/dbraw/zinc/45/96/55/1269459655.db2.gz NLJLHOZLRCTVEU-SNVBAGLBSA-N -1 1 350.375 0.350 10 0 FCAEMM CS(C)(=O)=Nc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC001565614178 1269482484 /nfs/dbraw/zinc/48/24/84/1269482484.db2.gz CNJYSWASIOQYCH-GFCCVEGCSA-N -1 1 350.404 0.773 10 0 FCAEMM Nc1c(Br)cccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614438 1269483164 /nfs/dbraw/zinc/48/31/64/1269483164.db2.gz NLRDWTRTNNXKTO-VIFPVBQESA-N -1 1 353.180 0.758 10 0 FCAEMM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1s[n-]c(=O)c1Cl ZINC001565702050 1269490797 /nfs/dbraw/zinc/49/07/97/1269490797.db2.gz SLNQPIMRWSLTCI-JTQLQIEISA-N -1 1 360.867 0.638 10 0 FCAEMM COC(=O)Cc1nc([N-]C(=O)c2coc3c2C(=O)NCC(C)(C)C3)n[nH]1 ZINC001565933249 1269524805 /nfs/dbraw/zinc/52/48/05/1269524805.db2.gz UOIKOSXBBMURPR-UHFFFAOYSA-N -1 1 361.358 0.678 10 0 FCAEMM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC001566174807 1269620006 /nfs/dbraw/zinc/62/00/06/1269620006.db2.gz OROGDQWGPOVTHA-UHFFFAOYSA-N -1 1 366.418 0.937 10 0 FCAEMM CCC[C@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001566226932 1269623404 /nfs/dbraw/zinc/62/34/04/1269623404.db2.gz HCIGEYWYISCOBA-JTQLQIEISA-N -1 1 354.411 0.253 10 0 FCAEMM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568063242 1269717125 /nfs/dbraw/zinc/71/71/25/1269717125.db2.gz HMGFXWFMPSLZIG-GNIPQWQFSA-N -1 1 361.446 0.652 10 0 FCAEMM CC(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001344241441 1270117599 /nfs/dbraw/zinc/11/75/99/1270117599.db2.gz PLRQCJZBYTVESX-NWDGAFQWSA-N -1 1 360.418 0.478 10 0 FCAEMM O=C(CCc1nnc[nH]1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001344266599 1270122627 /nfs/dbraw/zinc/12/26/27/1270122627.db2.gz NKXIGEUBUMMQIP-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM O=C(CCc1nc[nH]n1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001344266599 1270122636 /nfs/dbraw/zinc/12/26/36/1270122636.db2.gz NKXIGEUBUMMQIP-NWDGAFQWSA-N -1 1 358.402 0.553 10 0 FCAEMM CN(Cc1ccccc1N1CCOCC1)c1nnc(-c2noc(=O)[n-]2)n1C ZINC001344511582 1270192632 /nfs/dbraw/zinc/19/26/32/1270192632.db2.gz IIKIOJHQEAYUGY-UHFFFAOYSA-N -1 1 371.401 0.631 10 0 FCAEMM CN(C)C(=O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001345040574 1270308267 /nfs/dbraw/zinc/30/82/67/1270308267.db2.gz CTHOFHSSJRNWGH-OLZOCXBDSA-N -1 1 360.414 0.186 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001572990064 1270460335 /nfs/dbraw/zinc/46/03/35/1270460335.db2.gz HOBSSICYLOVPCW-GDLCADMTSA-N -1 1 362.430 0.797 10 0 FCAEMM C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001573970662 1270965251 /nfs/dbraw/zinc/96/52/51/1270965251.db2.gz XKBJLOXHFNANDR-CHWSQXEVSA-N -1 1 362.430 0.657 10 0 FCAEMM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Cc1nc(=O)n(C)[n-]1 ZINC001715524314 1287354047 /nfs/dbraw/zinc/35/40/47/1287354047.db2.gz RNMGLZKWFLFURU-UONOGXRCSA-N -1 1 351.451 0.061 10 0 FCAEMM O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001715594049 1287356248 /nfs/dbraw/zinc/35/62/48/1287356248.db2.gz OYNCQKHNXCPACB-KFWWJZLASA-N -1 1 359.430 0.661 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001582567861 1281752209 /nfs/dbraw/zinc/75/22/09/1281752209.db2.gz JHMMMUWAMOAGDH-OPRDCNLKSA-N -1 1 352.391 0.567 10 0 FCAEMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001631818405 1282117350 /nfs/dbraw/zinc/11/73/50/1282117350.db2.gz YGJDDABDHYACLD-MRXNPFEDSA-N -1 1 353.423 0.729 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n[n-]1 ZINC001584176611 1282140401 /nfs/dbraw/zinc/14/04/01/1282140401.db2.gz RJABYHFZVOHMFH-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[n-]1 ZINC001584176611 1282140411 /nfs/dbraw/zinc/14/04/11/1282140411.db2.gz RJABYHFZVOHMFH-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC001584176611 1282140420 /nfs/dbraw/zinc/14/04/20/1282140420.db2.gz RJABYHFZVOHMFH-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[n-]1 ZINC001584269740 1282148127 /nfs/dbraw/zinc/14/81/27/1282148127.db2.gz QVBSHUQIVQPTCV-AWEZNQCLSA-N -1 1 357.388 0.414 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H](O)c1ccccn1 ZINC001632595678 1282189612 /nfs/dbraw/zinc/18/96/12/1282189612.db2.gz JBKODSJATHCNBQ-OAHLLOKOSA-N -1 1 363.395 0.900 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(c3nn[n-]n3)CC1)C2=O ZINC001632649939 1282195317 /nfs/dbraw/zinc/19/53/17/1282195317.db2.gz CLXSUYHBMVGCPH-LLVKDONJSA-N -1 1 368.397 0.899 10 0 FCAEMM CCN1C(=S)N=NC1C1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001632885314 1282216366 /nfs/dbraw/zinc/21/63/66/1282216366.db2.gz WLBITYYLBCCLMF-UHFFFAOYSA-N -1 1 350.452 0.829 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccccc1CN1CCNC1=O ZINC001632899704 1282217419 /nfs/dbraw/zinc/21/74/19/1282217419.db2.gz DDCVXFZVKWBDKP-UHFFFAOYSA-N -1 1 369.381 0.681 10 0 FCAEMM C[C@]1(CNC(=O)CNC(=O)c2ncccc2[O-])COc2ccccc2O1 ZINC001585593277 1282236786 /nfs/dbraw/zinc/23/67/86/1282236786.db2.gz ZKPMTKPSWRTLJK-SFHVURJKSA-N -1 1 357.366 0.863 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001585869135 1282249290 /nfs/dbraw/zinc/24/92/90/1282249290.db2.gz CDIGSEUVTXFBAH-GFCCVEGCSA-N -1 1 355.402 0.912 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001586806362 1282315301 /nfs/dbraw/zinc/31/53/01/1282315301.db2.gz UWZJCXHDUSOTBD-GFCCVEGCSA-N -1 1 356.342 0.067 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001586899350 1282319350 /nfs/dbraw/zinc/31/93/50/1282319350.db2.gz RJTWGFXHHQMIBU-SFHVURJKSA-N -1 1 359.382 0.963 10 0 FCAEMM COC[C@H](NC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1)c1nn[n-]n1 ZINC001634621753 1282340355 /nfs/dbraw/zinc/34/03/55/1282340355.db2.gz JGPVUWHUOUIVHV-NSHDSACASA-N -1 1 374.430 0.889 10 0 FCAEMM COC[C@@H](NC(=O)c1cnc2c(F)cc(F)cc2c1O)c1nn[n-]n1 ZINC001634622330 1282340524 /nfs/dbraw/zinc/34/05/24/1282340524.db2.gz OYLCEDLQTJBCOE-SNVBAGLBSA-N -1 1 350.285 0.437 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001634935855 1282365516 /nfs/dbraw/zinc/36/55/16/1282365516.db2.gz VYSVBYMBPVKULT-UHFFFAOYSA-N -1 1 356.448 0.729 10 0 FCAEMM COCCNC(=O)C1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001587852303 1282382032 /nfs/dbraw/zinc/38/20/32/1282382032.db2.gz YFMCJOXASHDUBZ-UHFFFAOYSA-N -1 1 363.443 0.633 10 0 FCAEMM C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588028046 1282398565 /nfs/dbraw/zinc/39/85/65/1282398565.db2.gz PQQKDJFBTIAALO-NWDGAFQWSA-N -1 1 351.403 0.845 10 0 FCAEMM NC(=O)c1ccc(CCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001588032758 1282399881 /nfs/dbraw/zinc/39/98/81/1282399881.db2.gz KUKUZLSAOBTDFD-UHFFFAOYSA-N -1 1 356.382 0.603 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cnn(CC(F)(F)F)c1 ZINC001635633472 1282418697 /nfs/dbraw/zinc/41/86/97/1282418697.db2.gz SKKLHLXRITWCOS-UHFFFAOYSA-N -1 1 357.292 0.592 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nc(C)c[nH]3)CCOCC2)o1 ZINC001636052016 1282456169 /nfs/dbraw/zinc/45/61/69/1282456169.db2.gz XYOBRCLRHJXUMI-UHFFFAOYSA-N -1 1 368.415 0.655 10 0 FCAEMM CSc1ncc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c(=O)[n-]1 ZINC001636158015 1282465028 /nfs/dbraw/zinc/46/50/28/1282465028.db2.gz WGCKUJMVTVAMFW-UHFFFAOYSA-N -1 1 351.388 0.155 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001636301179 1282480987 /nfs/dbraw/zinc/48/09/87/1282480987.db2.gz CWEFUJHKVLWDFW-SNVBAGLBSA-N -1 1 374.488 0.523 10 0 FCAEMM Nc1n[nH]c(CCNC(=O)c2cc(I)ccc2[O-])n1 ZINC001637261945 1282581232 /nfs/dbraw/zinc/58/12/32/1282581232.db2.gz ZPAWTENYRQMDPN-UHFFFAOYSA-N -1 1 373.154 0.670 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cc([O-])c(F)cc1F ZINC001637366607 1282587818 /nfs/dbraw/zinc/58/78/18/1282587818.db2.gz QVMSXCJVOAOCKP-UHFFFAOYSA-N -1 1 359.310 0.478 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC001637816065 1282626899 /nfs/dbraw/zinc/62/68/99/1282626899.db2.gz CMLRYKUXIWPAOT-UHFFFAOYSA-N -1 1 372.337 0.265 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@@H](C2OCCO2)C1 ZINC001637891441 1282635895 /nfs/dbraw/zinc/63/58/95/1282635895.db2.gz WFIKWQRLQLAGMO-LLVKDONJSA-N -1 1 364.402 0.549 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910298 1282640296 /nfs/dbraw/zinc/64/02/96/1282640296.db2.gz OIYWYQZFWSCKHV-NSHDSACASA-N -1 1 360.374 0.535 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910298 1282640307 /nfs/dbraw/zinc/64/03/07/1282640307.db2.gz OIYWYQZFWSCKHV-NSHDSACASA-N -1 1 360.374 0.535 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1ccc(=O)n(CC)n1 ZINC001637910298 1282640319 /nfs/dbraw/zinc/64/03/19/1282640319.db2.gz OIYWYQZFWSCKHV-NSHDSACASA-N -1 1 360.374 0.535 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 ZINC001638138067 1282664551 /nfs/dbraw/zinc/66/45/51/1282664551.db2.gz ZYEMAVVOGHVHMR-UHFFFAOYSA-N -1 1 357.248 0.501 10 0 FCAEMM COCCOCCc1nc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c[nH]1 ZINC001639297906 1282768823 /nfs/dbraw/zinc/76/88/23/1282768823.db2.gz GRPQJIYTWGWWPK-LLVKDONJSA-N -1 1 365.390 0.724 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2cnncc2[O-])C1 ZINC001639779165 1282813142 /nfs/dbraw/zinc/81/31/42/1282813142.db2.gz NINWQYUTAAITPW-INIZCTEOSA-N -1 1 352.391 0.674 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)[n-]c1=O ZINC001640132623 1282840735 /nfs/dbraw/zinc/84/07/35/1282840735.db2.gz RNGOMRDKXPECQL-MXWKQRLJSA-N -1 1 357.432 0.924 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CNC(=O)c2ccncc2)[n-]c1=O ZINC001640132491 1282840798 /nfs/dbraw/zinc/84/07/98/1282840798.db2.gz PNXYEXSIYUBWNT-LBPRGKRZSA-N -1 1 357.370 0.679 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CN2CCCCC(=O)C2=O)[n-]c1=O ZINC001640131955 1282840982 /nfs/dbraw/zinc/84/09/82/1282840982.db2.gz CTXNYJMEAPQMPP-NSHDSACASA-N -1 1 362.386 0.436 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)co1 ZINC001640626020 1282881729 /nfs/dbraw/zinc/88/17/29/1282881729.db2.gz HXVDVLYRHYJAMJ-PHIMTYICSA-N -1 1 373.431 0.973 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)n[n-]1 ZINC001641468283 1282955007 /nfs/dbraw/zinc/95/50/07/1282955007.db2.gz RFEQPEQINBLXAW-UHFFFAOYSA-N -1 1 358.358 0.655 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)n1 ZINC001641468283 1282955020 /nfs/dbraw/zinc/95/50/20/1282955020.db2.gz RFEQPEQINBLXAW-UHFFFAOYSA-N -1 1 358.358 0.655 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](c2nnc(N)o2)C1 ZINC001641507937 1282958347 /nfs/dbraw/zinc/95/83/47/1282958347.db2.gz SRKAWUIOTHMVSN-NSHDSACASA-N -1 1 371.401 0.966 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)CCO1 ZINC001641614686 1282965994 /nfs/dbraw/zinc/96/59/94/1282965994.db2.gz PDUMQVDSWICBMY-SNVBAGLBSA-N -1 1 362.361 0.850 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001719053812 1287626953 /nfs/dbraw/zinc/62/69/53/1287626953.db2.gz VDSUVEMCXFOWQA-QWHCGFSZSA-N -1 1 360.414 0.375 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001682385643 1283586861 /nfs/dbraw/zinc/58/68/61/1283586861.db2.gz FQFSTZRHSVGDLC-ZLKJLUDKSA-N -1 1 362.430 0.797 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1c2ccccc2C[C@H]1O ZINC001683594996 1284052903 /nfs/dbraw/zinc/05/29/03/1284052903.db2.gz SBOROTWUYODRRB-ZBFHGGJFSA-N -1 1 356.382 0.712 10 0 FCAEMM C[C@@H]1OCC[C@]12CN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CCO2 ZINC001683595025 1284053536 /nfs/dbraw/zinc/05/35/36/1284053536.db2.gz SQUBYAQRMRKILV-GTNSWQLSSA-N -1 1 364.402 0.344 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@H](Cn2ccnn2)C1 ZINC001683593758 1284053612 /nfs/dbraw/zinc/05/36/12/1284053612.db2.gz CMXNOSDITLEGPB-LBPRGKRZSA-N -1 1 373.417 0.468 10 0 FCAEMM COCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001702583252 1285743868 /nfs/dbraw/zinc/74/38/68/1285743868.db2.gz DBVSRLQIILOAFF-KGLIPLIRSA-N -1 1 365.430 0.807 10 0 FCAEMM CCCNC(=O)CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001702690376 1285788405 /nfs/dbraw/zinc/78/84/05/1285788405.db2.gz GBJJIVMTFQLLQC-OLZOCXBDSA-N -1 1 362.430 0.813 10 0 FCAEMM CC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CCNC1=O ZINC001702926025 1286003032 /nfs/dbraw/zinc/00/30/32/1286003032.db2.gz MSEKQUBVRNOSCO-OYHXCVFBSA-N -1 1 372.425 0.565 10 0 FCAEMM O=C(CCc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001702971790 1286028566 /nfs/dbraw/zinc/02/85/66/1286028566.db2.gz GSVAKXOGCMCGAZ-UTUOFQBUSA-N -1 1 356.386 0.400 10 0 FCAEMM O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001702971790 1286028575 /nfs/dbraw/zinc/02/85/75/1286028575.db2.gz GSVAKXOGCMCGAZ-UTUOFQBUSA-N -1 1 356.386 0.400 10 0 FCAEMM C[C@H](CCNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@]12C[C@H]1CCC2 ZINC001704142666 1286187915 /nfs/dbraw/zinc/18/79/15/1286187915.db2.gz OLCUKWOWKAVNEU-SNUQEOBHSA-N -1 1 362.430 0.128 10 0 FCAEMM CSc1ncc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)c(=O)[n-]1 ZINC001596515954 1286306032 /nfs/dbraw/zinc/30/60/32/1286306032.db2.gz UUQZFIRCEZYOFX-ZETCQYMHSA-N -1 1 355.338 0.652 10 0 FCAEMM COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001597089125 1286326846 /nfs/dbraw/zinc/32/68/46/1286326846.db2.gz UGDFIXRNOVAAGB-OCCSQVGLSA-N -1 1 356.382 0.751 10 0 FCAEMM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC001597149563 1286330238 /nfs/dbraw/zinc/33/02/38/1286330238.db2.gz VKCFTFYRCKBVOA-LBPRGKRZSA-N -1 1 361.427 0.528 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001597409450 1286343110 /nfs/dbraw/zinc/34/31/10/1286343110.db2.gz GSGZTKVMVPXVIW-SECBINFHSA-N -1 1 367.312 0.343 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC001597486374 1286347374 /nfs/dbraw/zinc/34/73/74/1286347374.db2.gz KWBOIMPAMUABNC-LBPRGKRZSA-N -1 1 354.432 0.649 10 0 FCAEMM C[C@@H](CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C)CS(C)(=O)=O ZINC001707250016 1287095592 /nfs/dbraw/zinc/09/55/92/1287095592.db2.gz NXBWGGMTHDCZRS-XQQFMLRXSA-N -1 1 355.460 0.661 10 0 FCAEMM CC[C@H](C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001736374750 1289293222 /nfs/dbraw/zinc/29/32/22/1289293222.db2.gz IMOPADNNLXTCNJ-BFHYXJOUSA-N -1 1 364.446 0.184 10 0 FCAEMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])S(C)(=O)=O ZINC001736495124 1289393307 /nfs/dbraw/zinc/39/33/07/1289393307.db2.gz UPPWHBUOBNNAJG-USZNOCQGSA-N -1 1 367.427 0.082 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001737187949 1289517234 /nfs/dbraw/zinc/51/72/34/1289517234.db2.gz DXPPARZCYWSOHH-BMLIUANNSA-N -1 1 364.402 0.665 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1ncccc1[O-] ZINC001738842717 1289740283 /nfs/dbraw/zinc/74/02/83/1289740283.db2.gz VBVLXAMNQZEWMN-WFGGJUAMSA-N -1 1 363.414 0.415 10 0 FCAEMM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001702161022 1289767280 /nfs/dbraw/zinc/76/72/80/1289767280.db2.gz LISOTIJDAZSEQJ-LPBFIKQHSA-N -1 1 360.414 0.717 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NCC1(NC(=O)c2cc(=O)n3[n-]cnc3n2)CC1 ZINC001738999313 1289770935 /nfs/dbraw/zinc/77/09/35/1289770935.db2.gz SEQDTFHGEQEBEM-RYUDHWBXSA-N -1 1 370.413 0.232 10 0 FCAEMM Cn1nc(-c2cccnc2)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001616945034 1289802699 /nfs/dbraw/zinc/80/26/99/1289802699.db2.gz JLVVFWTVPACWON-ZDUSSCGKSA-N -1 1 356.415 0.926 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001617136377 1289817742 /nfs/dbraw/zinc/81/77/42/1289817742.db2.gz DEYJJNWFVIHCRR-OAHLLOKOSA-N -1 1 367.431 0.140 10 0 FCAEMM Cc1nnc(CCN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)o1 ZINC001617345571 1289833430 /nfs/dbraw/zinc/83/34/30/1289833430.db2.gz QQTKRJMXSUWYFA-UHFFFAOYSA-N -1 1 371.385 0.371 10 0 FCAEMM Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001702271126 1289939766 /nfs/dbraw/zinc/93/97/66/1289939766.db2.gz NNMPJVUGMPWSJG-ZYHUDNBSSA-N -1 1 359.386 0.688 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC001620692842 1290017985 /nfs/dbraw/zinc/01/79/85/1290017985.db2.gz KRMRRSPWCWBLSC-SNVBAGLBSA-N -1 1 360.374 0.452 10 0 FCAEMM C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001739502921 1290076475 /nfs/dbraw/zinc/07/64/75/1290076475.db2.gz RCKWTBSCQLUGLD-MGPQQGTHSA-N -1 1 363.414 0.560 10 0 FCAEMM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC001623653769 1290227853 /nfs/dbraw/zinc/22/78/53/1290227853.db2.gz KGZQMCORBIXXQQ-SECBINFHSA-N -1 1 350.404 0.205 10 0 FCAEMM COCCOC1(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCOCC1 ZINC001624414379 1290270725 /nfs/dbraw/zinc/27/07/25/1290270725.db2.gz BTGDPUQOPIHMNN-UHFFFAOYSA-N -1 1 357.432 0.721 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC001624947167 1290308060 /nfs/dbraw/zinc/30/80/60/1290308060.db2.gz IUJSGDWOAHUKHS-UHFFFAOYSA-N -1 1 365.415 0.724 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001625099219 1290318596 /nfs/dbraw/zinc/31/85/96/1290318596.db2.gz JTHHQXGJMKAQOC-UHFFFAOYSA-N -1 1 368.397 0.667 10 0 FCAEMM CC(C)Cc1nnc([N-]C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)s1 ZINC001625462417 1290342008 /nfs/dbraw/zinc/34/20/08/1290342008.db2.gz IPFGQOSFLOABFV-UHFFFAOYSA-N -1 1 370.460 0.820 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCn1cc(Br)cn1 ZINC001625545441 1290349227 /nfs/dbraw/zinc/34/92/27/1290349227.db2.gz GDXAHHMGKXGWIC-UHFFFAOYSA-N -1 1 372.179 0.676 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001625611612 1290353394 /nfs/dbraw/zinc/35/33/94/1290353394.db2.gz OAIGTJIJVSEKEZ-SSDOTTSWSA-N -1 1 371.220 0.993 10 0 FCAEMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001626046840 1290371906 /nfs/dbraw/zinc/37/19/06/1290371906.db2.gz PGAGUKXWFAIIHU-LRDDRELGSA-N -1 1 351.407 0.128 10 0 FCAEMM CCOCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001739703821 1290376985 /nfs/dbraw/zinc/37/69/85/1290376985.db2.gz HHSXISKKOLBJFK-ZIAGYGMSSA-N -1 1 363.414 0.513 10 0 FCAEMM Cn1c2cc(NC(=O)c3ccc(-n4[n-]c(=O)[nH]c4=O)cc3)ccc2oc1=O ZINC001626584227 1290405415 /nfs/dbraw/zinc/40/54/15/1290405415.db2.gz LRBSOPTURWAEQL-UHFFFAOYSA-N -1 1 367.321 0.963 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(Cc2cscn2)CC1 ZINC001626711672 1290411862 /nfs/dbraw/zinc/41/18/62/1290411862.db2.gz JOBCXBALZGCGAP-UHFFFAOYSA-N -1 1 351.388 0.311 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC001626841245 1290419673 /nfs/dbraw/zinc/41/96/73/1290419673.db2.gz OROIFXXCOQLLDF-NSHDSACASA-N -1 1 368.393 0.913 10 0 FCAEMM Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(F)cc(F)c1[O-])c(=O)n2C ZINC001626853890 1290421208 /nfs/dbraw/zinc/42/12/08/1290421208.db2.gz BDICPQYMDXWVQK-UHFFFAOYSA-N -1 1 365.296 0.056 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCNC(=O)CC1 ZINC001626904010 1290424068 /nfs/dbraw/zinc/42/40/68/1290424068.db2.gz WHAZLWKYKRVJCI-CYBMUJFWSA-N -1 1 355.398 0.468 10 0 FCAEMM CCn1c(Br)ncc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001627165687 1290443199 /nfs/dbraw/zinc/44/31/99/1290443199.db2.gz MRLFEAOMQCBCAK-QMMMGPOBSA-N -1 1 356.184 0.392 10 0 FCAEMM CN1C[C@H](NC(=O)c2ccc(I)cc2[O-])CC1=O ZINC001627288885 1290451989 /nfs/dbraw/zinc/45/19/89/1290451989.db2.gz XHQDEJQPDWKBJV-MRVPVSSYSA-N -1 1 360.151 0.957 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC001627533894 1290469814 /nfs/dbraw/zinc/46/98/14/1290469814.db2.gz SKDLUOIDAQULEA-HNNXBMFYSA-N -1 1 369.385 0.762 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC001628571804 1290542195 /nfs/dbraw/zinc/54/21/95/1290542195.db2.gz BDFXAXXEVQNNHD-LLVKDONJSA-N -1 1 374.363 0.908 10 0 FCAEMM Cc1cncc(N(Cc2ncc[nH]2)C(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC001629325821 1290593381 /nfs/dbraw/zinc/59/33/81/1290593381.db2.gz ZNAJKACANCULRF-UHFFFAOYSA-N -1 1 354.370 0.587 10 0 FCAEMM COC(=O)c1ccc(CC(=O)N[C@@H](CCSC)c2nn[n-]n2)cn1 ZINC001629931913 1290634814 /nfs/dbraw/zinc/63/48/14/1290634814.db2.gz SQKBOVKEOHUBOR-JTQLQIEISA-N -1 1 350.404 0.534 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCS(C)(=O)=O ZINC001630912798 1290709529 /nfs/dbraw/zinc/70/95/29/1290709529.db2.gz TZMJAMITFBKOTA-UHFFFAOYSA-N -1 1 364.427 0.234 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1noc(C(F)(F)F)n1 ZINC001643382827 1290880422 /nfs/dbraw/zinc/88/04/22/1290880422.db2.gz VWCZRXIQUMDPKM-ZCFIWIBFSA-N -1 1 359.264 0.796 10 0 FCAEMM O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643387595 1290880629 /nfs/dbraw/zinc/88/06/29/1290880629.db2.gz RQRXMJQAXHBDBL-LLVKDONJSA-N -1 1 354.370 0.592 10 0 FCAEMM O=C(NC[C@@]12COCCN1C(=O)COC2)c1ncc2ccccc2c1[O-] ZINC001643777334 1290914449 /nfs/dbraw/zinc/91/44/49/1290914449.db2.gz GKQABSDKWDTURE-SFHVURJKSA-N -1 1 357.366 0.298 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC001643820042 1290917226 /nfs/dbraw/zinc/91/72/26/1290917226.db2.gz CCIRXPLLTMDHQD-UHFFFAOYSA-N -1 1 351.411 0.295 10 0 FCAEMM Cn1c2ccc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)cc2[nH]c1=O ZINC001644157506 1290944429 /nfs/dbraw/zinc/94/44/29/1290944429.db2.gz YPIPFGVDBMCLBC-UHFFFAOYSA-N -1 1 355.354 0.777 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1Cn1ccnn1 ZINC001644160431 1290944678 /nfs/dbraw/zinc/94/46/78/1290944678.db2.gz QTOAIPAQCGWNRV-UHFFFAOYSA-N -1 1 366.381 0.825 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[n-]c1=O ZINC001645227678 1291011145 /nfs/dbraw/zinc/01/11/45/1291011145.db2.gz TYRFAQLXRWLNRS-UHFFFAOYSA-N -1 1 358.358 0.500 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)co1 ZINC001645880530 1291046440 /nfs/dbraw/zinc/04/64/40/1291046440.db2.gz MLABOOGKUWICQF-LLVKDONJSA-N -1 1 357.388 0.148 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001645951923 1291050004 /nfs/dbraw/zinc/05/00/04/1291050004.db2.gz XQFFPWIDRYCUGW-UHFFFAOYSA-N -1 1 363.805 0.324 10 0 FCAEMM NC(=O)[C@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@@H]1C(N)=O ZINC001647752363 1291071996 /nfs/dbraw/zinc/07/19/96/1291071996.db2.gz PJHKUVNGOILRMQ-UWVGGRQHSA-N -1 1 365.773 0.171 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1(n2cnnn2)CCCCC1 ZINC001647948045 1291087691 /nfs/dbraw/zinc/08/76/91/1291087691.db2.gz SXWYIXHYWIFVNV-CYBMUJFWSA-N -1 1 353.390 0.751 10 0 FCAEMM CCOC(=O)C(NC(=O)OC(C)(C)C)=C([O-])N=S1(=O)CCOCC1 ZINC001648457969 1291121843 /nfs/dbraw/zinc/12/18/43/1291121843.db2.gz CJOZDKPNCTWTMZ-SNVBAGLBSA-N -1 1 364.420 0.468 10 0 FCAEMM CCn1ncc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1Br ZINC001648504084 1291126572 /nfs/dbraw/zinc/12/65/72/1291126572.db2.gz JJZWBPCCVHLTNT-UHFFFAOYSA-N -1 1 363.197 0.439 10 0 FCAEMM CCn1ncc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1Br ZINC001648504084 1291126575 /nfs/dbraw/zinc/12/65/75/1291126575.db2.gz JJZWBPCCVHLTNT-UHFFFAOYSA-N -1 1 363.197 0.439 10 0 FCAEMM Cn1c(CO)nc2cc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)ccc21 ZINC001650748195 1291177870 /nfs/dbraw/zinc/17/78/70/1291177870.db2.gz FVMPFERYEXCCFC-UHFFFAOYSA-N -1 1 369.381 0.564 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)o1 ZINC001650897267 1291184728 /nfs/dbraw/zinc/18/47/28/1291184728.db2.gz CYVYJKQJXBHQFU-VIFPVBQESA-N -1 1 351.375 0.505 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n[n-]1 ZINC001650943315 1291187630 /nfs/dbraw/zinc/18/76/30/1291187630.db2.gz FNNFGHAGKDKPKB-UHFFFAOYSA-N -1 1 363.340 0.872 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 ZINC001650943315 1291187632 /nfs/dbraw/zinc/18/76/32/1291187632.db2.gz FNNFGHAGKDKPKB-UHFFFAOYSA-N -1 1 363.340 0.872 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689091 1291233574 /nfs/dbraw/zinc/23/35/74/1291233574.db2.gz VTOJRYXPLMWASE-GFCCVEGCSA-N -1 1 359.390 0.814 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689091 1291233579 /nfs/dbraw/zinc/23/35/79/1291233579.db2.gz VTOJRYXPLMWASE-GFCCVEGCSA-N -1 1 359.390 0.814 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689091 1291233581 /nfs/dbraw/zinc/23/35/81/1291233581.db2.gz VTOJRYXPLMWASE-GFCCVEGCSA-N -1 1 359.390 0.814 10 0 FCAEMM O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001651694682 1291233888 /nfs/dbraw/zinc/23/38/88/1291233888.db2.gz SPCFGWMDUPXVKA-RYUDHWBXSA-N -1 1 355.464 0.610 10 0 FCAEMM COC[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC001651846533 1291242696 /nfs/dbraw/zinc/24/26/96/1291242696.db2.gz GCPMITFZJCUZAB-GXSJLCMTSA-N -1 1 368.191 0.770 10 0 FCAEMM CN(C(=O)CCc1nn[n-]n1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001652892221 1291307947 /nfs/dbraw/zinc/30/79/47/1291307947.db2.gz KJIMMFXMTKZUCM-UHFFFAOYSA-N -1 1 368.438 0.665 10 0 FCAEMM Cc1nc(CN2CC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C)co1 ZINC001657010379 1291587755 /nfs/dbraw/zinc/58/77/55/1291587755.db2.gz YRDGIFHSQCCGEK-RISCZKNCSA-N -1 1 361.402 0.002 10 0 FCAEMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001672621250 1292086236 /nfs/dbraw/zinc/08/62/36/1292086236.db2.gz FYDVMNKPBNPDJY-VXGBXAGGSA-N -1 1 365.459 0.594 10 0 FCAEMM Cn1cc(C[C@@H]2CCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)cn1 ZINC001684758547 1292328505 /nfs/dbraw/zinc/32/85/05/1292328505.db2.gz ZTHXLABNAFUDMO-LBPRGKRZSA-N -1 1 372.429 0.763 10 0 FCAEMM COc1ccccc1[C@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684868310 1292346586 /nfs/dbraw/zinc/34/65/86/1292346586.db2.gz GUOQYIAUTOOOIR-AWEZNQCLSA-N -1 1 374.397 0.796 10 0 FCAEMM Cn1cc(CNC(=O)NCCc2c(F)cc([O-])cc2F)c(=O)[nH]c1=O ZINC001685383222 1292522027 /nfs/dbraw/zinc/52/20/27/1292522027.db2.gz ODOVCCDWICAQFN-UHFFFAOYSA-N -1 1 354.313 0.512 10 0 FCAEMM CCS(=O)(=O)NCCCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001685476324 1292534138 /nfs/dbraw/zinc/53/41/38/1292534138.db2.gz XVJGGJLDJWDDSG-UHFFFAOYSA-N -1 1 365.402 0.842 10 0 FCAEMM CC(C)C(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001686146844 1292786817 /nfs/dbraw/zinc/78/68/17/1292786817.db2.gz HWAKVRXGSAJQEZ-MCIONIFRSA-N -1 1 374.441 0.763 10 0 FCAEMM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001116078237 846604102 /nfs/dbraw/zinc/60/41/02/846604102.db2.gz COMVXPZJIKZDCV-UHFFFAOYSA-N -1 1 367.416 0.626 10 0 FCAEMM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC001116078237 846604108 /nfs/dbraw/zinc/60/41/08/846604108.db2.gz COMVXPZJIKZDCV-UHFFFAOYSA-N -1 1 367.416 0.626 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC001116320845 846655219 /nfs/dbraw/zinc/65/52/19/846655219.db2.gz OKTBBECRVSXQEL-LBPRGKRZSA-N -1 1 353.444 0.488 10 0 FCAEMM Cn1c(=O)ccn(CC(=O)Nc2ccc(Br)c([O-])c2)c1=O ZINC001116737546 846752341 /nfs/dbraw/zinc/75/23/41/846752341.db2.gz XXTSUACVXMIKLR-UHFFFAOYSA-N -1 1 354.160 0.654 10 0 FCAEMM CN1C[C@@H](CCNC(=O)C(=O)NCc2ccc([O-])c(Cl)c2)CC1=O ZINC001119906273 848026272 /nfs/dbraw/zinc/02/62/72/848026272.db2.gz AIRXZXBRLTZPEC-NSHDSACASA-N -1 1 353.806 0.646 10 0 FCAEMM C[C@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@H]2CCOC2)CCO1 ZINC001123235352 848580009 /nfs/dbraw/zinc/58/00/09/848580009.db2.gz GJXPZEWVYDBEFG-VHSXEESVSA-N -1 1 353.814 0.978 10 0 FCAEMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001123914629 848653783 /nfs/dbraw/zinc/65/37/83/848653783.db2.gz PAOHEVPPYOLCHP-RYUDHWBXSA-N -1 1 366.491 0.928 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCn3nncc3C2)o1 ZINC001133841854 849160828 /nfs/dbraw/zinc/16/08/28/849160828.db2.gz OWKXNNZCTBKUED-UHFFFAOYSA-N -1 1 367.431 0.994 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138990987 849324418 /nfs/dbraw/zinc/32/44/18/849324418.db2.gz HEHRKDFDKCIGBX-GHMZBOCLSA-N -1 1 351.407 0.378 10 0 FCAEMM C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc([O-])c1Br ZINC001141222546 849385978 /nfs/dbraw/zinc/38/59/78/849385978.db2.gz XHCMOVNAOIRVRF-ZETCQYMHSA-N -1 1 369.179 0.285 10 0 FCAEMM CCn1ncn(NC(=O)c2ccc(I)cc2[O-])c1=O ZINC001141575435 849402476 /nfs/dbraw/zinc/40/24/76/849402476.db2.gz DOUXWDCQYIAMGU-UHFFFAOYSA-N -1 1 374.138 0.759 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2CC3(C2)CS(=O)(=O)C3)c1 ZINC001141758740 849408140 /nfs/dbraw/zinc/40/81/40/849408140.db2.gz NLQMXNVWVWOHTE-UHFFFAOYSA-N -1 1 374.440 0.064 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cc(Br)n[nH]2)[n-]1 ZINC001146864637 849567814 /nfs/dbraw/zinc/56/78/14/849567814.db2.gz HCBUBASQEZNQPM-RXMQYKEDSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc(Br)n[nH]2)n[n-]1 ZINC001146864637 849567817 /nfs/dbraw/zinc/56/78/17/849567817.db2.gz HCBUBASQEZNQPM-RXMQYKEDSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cc(Br)n[nH]2)n1 ZINC001146864637 849567824 /nfs/dbraw/zinc/56/78/24/849567824.db2.gz HCBUBASQEZNQPM-RXMQYKEDSA-N -1 1 357.168 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)n[n-]1 ZINC001146857165 849568842 /nfs/dbraw/zinc/56/88/42/849568842.db2.gz WUXKMMNRPGHLIH-JTQLQIEISA-N -1 1 372.447 0.906 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)[n-]1 ZINC001146857165 849568849 /nfs/dbraw/zinc/56/88/49/849568849.db2.gz WUXKMMNRPGHLIH-JTQLQIEISA-N -1 1 372.447 0.906 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCS(=O)(=O)C2CCCC2)n1 ZINC001146857165 849568853 /nfs/dbraw/zinc/56/88/53/849568853.db2.gz WUXKMMNRPGHLIH-JTQLQIEISA-N -1 1 372.447 0.906 10 0 FCAEMM COc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)nc1Br ZINC001170382530 850652229 /nfs/dbraw/zinc/65/22/29/850652229.db2.gz IQRVFLBBVVPNTH-MRVPVSSYSA-N -1 1 369.179 0.580 10 0 FCAEMM CCOC(=O)CS[C@H](CNC(=O)CCCc1nn[n-]n1)C(F)(F)F ZINC001175277941 850758537 /nfs/dbraw/zinc/75/85/37/850758537.db2.gz YQOYYQUVYFPXJF-MRVPVSSYSA-N -1 1 369.369 0.866 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC(O)(c3nccn3C)C2)c(=O)[n-]1 ZINC001175697733 850771589 /nfs/dbraw/zinc/77/15/89/850771589.db2.gz YZHRRAOVWBKTJP-UHFFFAOYSA-N -1 1 363.443 0.609 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CCCCS2(=O)=O)[n-]c1=O ZINC001180059818 851011692 /nfs/dbraw/zinc/01/16/92/851011692.db2.gz JWFFCJYLHRXNDP-ZYHUDNBSSA-N -1 1 355.416 0.822 10 0 FCAEMM COc1cc([C@@H](C)NC(=O)CCc2nn[n-]n2)ccc1S(C)(=O)=O ZINC001181315571 851101386 /nfs/dbraw/zinc/10/13/86/851101386.db2.gz SZDRXNGGKRVSPV-SECBINFHSA-N -1 1 353.404 0.422 10 0 FCAEMM COC(=O)[C@@H](Cc1cncs1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001197542963 853128974 /nfs/dbraw/zinc/12/89/74/853128974.db2.gz OHGXHXYZGGLKFZ-GFCCVEGCSA-N -1 1 350.400 0.585 10 0 FCAEMM COC(=O)CC(C)(C)CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254496719 857975105 /nfs/dbraw/zinc/97/51/05/857975105.db2.gz JGQKYWDGUWBHII-UHFFFAOYSA-N -1 1 352.391 0.643 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001261526336 858579957 /nfs/dbraw/zinc/57/99/57/858579957.db2.gz GJUAMSIRPXPHES-OLXKUKDPSA-N -1 1 358.423 0.827 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)CCOC1 ZINC001261828428 858679311 /nfs/dbraw/zinc/67/93/11/858679311.db2.gz KCBSQIGMDNVTPA-KRWDZBQOSA-N -1 1 352.362 0.621 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001293964981 865814222 /nfs/dbraw/zinc/81/42/22/865814222.db2.gz IGXCGZSJSQKOEA-VXJOIVPMSA-N -1 1 365.415 0.321 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001293964966 865814626 /nfs/dbraw/zinc/81/46/26/865814626.db2.gz IGXCGZSJSQKOEA-ANRSDYALSA-N -1 1 365.415 0.321 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001293964976 865814892 /nfs/dbraw/zinc/81/48/92/865814892.db2.gz IGXCGZSJSQKOEA-AYVTZFPOSA-N -1 1 365.415 0.321 10 0 FCAEMM CC(C)C[C@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCNC1=O ZINC001295508001 865901515 /nfs/dbraw/zinc/90/15/15/865901515.db2.gz BUOPYPOKPPHCQE-OAHLLOKOSA-N -1 1 355.416 0.531 10 0 FCAEMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1OCCO[C@H]1C ZINC001297964955 866072181 /nfs/dbraw/zinc/07/21/81/866072181.db2.gz QMWAVWCZWMYNGL-HUBLWGQQSA-N -1 1 351.403 0.462 10 0 FCAEMM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@H](Cc3nn[n-]n3)C1)CS2 ZINC001349214213 866265644 /nfs/dbraw/zinc/26/56/44/866265644.db2.gz RLLFZSBWEOZIMS-ZETOZRRWSA-N -1 1 350.448 0.435 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC001349510493 866365543 /nfs/dbraw/zinc/36/55/43/866365543.db2.gz PEJOEFYBURMGKM-UHFFFAOYSA-N -1 1 351.787 0.655 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)COC1 ZINC001302938649 866365812 /nfs/dbraw/zinc/36/58/12/866365812.db2.gz ULOHPUNQMWFTKL-JTQLQIEISA-N -1 1 352.395 0.199 10 0 FCAEMM O=C(c1c[nH]nc1I)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302939305 866367174 /nfs/dbraw/zinc/36/71/74/866367174.db2.gz YGEJDDNJWJYCCV-YFKPBYRVSA-N -1 1 359.131 0.157 10 0 FCAEMM Cn1nc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cc1Br ZINC001350428033 866593349 /nfs/dbraw/zinc/59/33/49/866593349.db2.gz FSHMJHVANYCMDD-QMMMGPOBSA-N -1 1 354.212 0.791 10 0 FCAEMM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)CO1 ZINC001350612983 866643548 /nfs/dbraw/zinc/64/35/48/866643548.db2.gz WGPLNSCGXHSYMT-HOTGVXAUSA-N -1 1 354.447 0.827 10 0 FCAEMM CN(C[C@@H]1COCCO1)c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001351334477 866836178 /nfs/dbraw/zinc/83/61/78/866836178.db2.gz YIYOTEARMMURHF-SNVBAGLBSA-N -1 1 353.814 0.978 10 0 FCAEMM O=C([C@H]1COCCN1CC(F)(F)F)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001352794023 867256145 /nfs/dbraw/zinc/25/61/45/867256145.db2.gz RBQKRUOWFUEZFD-WDEREUQCSA-N -1 1 362.356 0.244 10 0 FCAEMM O=C(NCCOCC(F)F)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001354777431 867668411 /nfs/dbraw/zinc/66/84/11/867668411.db2.gz FECISXNNUDVZJQ-UHFFFAOYSA-N -1 1 352.284 0.727 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN3C(=O)N=NC3C2)c(=O)[n-]1 ZINC001320344004 868146367 /nfs/dbraw/zinc/14/63/67/868146367.db2.gz VBHCHZYQJDZCIP-UHFFFAOYSA-N -1 1 350.404 0.485 10 0 FCAEMM O=C(Cn1ncn2nccc2c1=O)Nc1ccc(Br)c([O-])c1 ZINC001320805762 868285003 /nfs/dbraw/zinc/28/50/03/868285003.db2.gz MYKGMOUNJKHTFY-UHFFFAOYSA-N -1 1 364.159 0.998 10 0 FCAEMM COC(=O)c1c(F)cccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC001324191103 869502608 /nfs/dbraw/zinc/50/26/08/869502608.db2.gz BHTKHQPFMKRSRC-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 ZINC001327907713 871132490 /nfs/dbraw/zinc/13/24/90/871132490.db2.gz KRJIYUVZWYPUTN-UHFFFAOYSA-N -1 1 353.282 0.011 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)CCOCC1 ZINC001329224292 871900726 /nfs/dbraw/zinc/90/07/26/871900726.db2.gz BLOCXXROARFZLM-GDBMZVCRSA-N -1 1 371.455 0.986 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)o1 ZINC001329711869 872196758 /nfs/dbraw/zinc/19/67/58/872196758.db2.gz DJIQRYYNXQEYLA-XHDPSFHLSA-N -1 1 358.416 0.453 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1)[C@H]1CCOC1 ZINC001330136690 872485313 /nfs/dbraw/zinc/48/53/13/872485313.db2.gz PXFYIQXVESEHJL-STQMWFEESA-N -1 1 368.415 0.603 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(Cc3nccn3CC(F)(F)F)CC2)CCOC1 ZINC001330164926 872502076 /nfs/dbraw/zinc/50/20/76/872502076.db2.gz CJXVAFMHJATKNS-CQSZACIVSA-N -1 1 362.352 0.807 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001348027400 872567727 /nfs/dbraw/zinc/56/77/27/872567727.db2.gz VARZIFHYLIQIPO-UWVGGRQHSA-N -1 1 355.416 0.772 10 0 FCAEMM CC[C@@H](C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)N1CCO[C@H](CC)C1 ZINC001348165363 872614375 /nfs/dbraw/zinc/61/43/75/872614375.db2.gz KYOWXWDFHIQMJU-KFWWJZLASA-N -1 1 350.467 0.870 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])cn2)CC1 ZINC001330606639 872729478 /nfs/dbraw/zinc/72/94/78/872729478.db2.gz RCKVCBKQNZIOGN-QGZVFWFLSA-N -1 1 350.419 0.329 10 0 FCAEMM CSC[C@H](NC(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)[O-] ZINC001332605622 873577258 /nfs/dbraw/zinc/57/72/58/873577258.db2.gz CUBVGOBTWUHEQG-ZDUSSCGKSA-N -1 1 367.475 0.449 10 0 FCAEMM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815645 212877452 /nfs/dbraw/zinc/87/74/52/212877452.db2.gz BVFJWVBQYZUMLJ-BDAKNGLRSA-N -1 1 361.324 0.215 10 0 FCAEMM C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366709603 216020647 /nfs/dbraw/zinc/02/06/47/216020647.db2.gz CUXYCPQILWMXBW-ZETCQYMHSA-N -1 1 364.328 0.466 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)o1 ZINC000366747589 216026036 /nfs/dbraw/zinc/02/60/36/216026036.db2.gz JNLAWTFLDJSHDN-WQGACYEGSA-N -1 1 372.443 0.986 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)co1 ZINC000366833017 216038854 /nfs/dbraw/zinc/03/88/54/216038854.db2.gz TXCNRCXYYPSGAJ-SNVBAGLBSA-N -1 1 367.431 0.997 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)o1 ZINC000366809850 216036529 /nfs/dbraw/zinc/03/65/29/216036529.db2.gz UWIJJNOBAHGPTM-GRYCIOLGSA-N -1 1 358.416 0.596 10 0 FCAEMM COc1cc(OC)cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275382500 212016116 /nfs/dbraw/zinc/01/61/16/212016116.db2.gz XSAUZYYSMRQTIY-UHFFFAOYSA-N -1 1 358.416 0.485 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375890851 217331940 /nfs/dbraw/zinc/33/19/40/217331940.db2.gz MDJYWSIIWGUGHF-AWEZNQCLSA-N -1 1 359.430 0.527 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424488460 247236202 /nfs/dbraw/zinc/23/62/02/247236202.db2.gz KRUMMUYXWDAWPW-SOUVJXGZSA-N -1 1 371.478 0.465 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)C(=O)[O-] ZINC000424488071 247236273 /nfs/dbraw/zinc/23/62/73/247236273.db2.gz LPAVZBURKJBWCL-DZGCQCFKSA-N -1 1 353.463 0.983 10 0 FCAEMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000432619791 247823429 /nfs/dbraw/zinc/82/34/29/247823429.db2.gz SBZRQNZCQPBFKV-JTQLQIEISA-N -1 1 355.416 0.448 10 0 FCAEMM CNC(=O)[C@@H](NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000435597757 248002213 /nfs/dbraw/zinc/00/22/13/248002213.db2.gz NWIAGDXMYRRULC-ZDUSSCGKSA-N -1 1 372.447 0.959 10 0 FCAEMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000439953748 248147486 /nfs/dbraw/zinc/14/74/86/248147486.db2.gz XOECSIOOKZZGMY-UHFFFAOYSA-N -1 1 368.419 0.551 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@H]1CCCCN1CCO ZINC000452804869 249334707 /nfs/dbraw/zinc/33/47/07/249334707.db2.gz ZVVVXLZFGMRHFB-CYBMUJFWSA-N -1 1 373.450 0.774 10 0 FCAEMM COC(=O)c1cccc(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)c1 ZINC000270241315 211173206 /nfs/dbraw/zinc/17/32/06/211173206.db2.gz LCQRPXWJZCMTIZ-HNNXBMFYSA-N -1 1 373.452 0.941 10 0 FCAEMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000470781414 250064453 /nfs/dbraw/zinc/06/44/53/250064453.db2.gz LPDGBIOEOREMMW-ZETCQYMHSA-N -1 1 357.310 0.114 10 0 FCAEMM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470969058 250082345 /nfs/dbraw/zinc/08/23/45/250082345.db2.gz AZEYOPTWMJEWHT-JTQLQIEISA-N -1 1 364.431 0.696 10 0 FCAEMM CC(C)[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)c2ccccc2C1=O ZINC000470976770 250082409 /nfs/dbraw/zinc/08/24/09/250082409.db2.gz UFAUTLBTTXVGQJ-GFCCVEGCSA-N -1 1 354.370 0.626 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000270004889 211136943 /nfs/dbraw/zinc/13/69/43/211136943.db2.gz KKJYWFYCMNBTJB-UHFFFAOYSA-N -1 1 358.416 0.992 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(OC)cc1OC ZINC000472616787 250168155 /nfs/dbraw/zinc/16/81/55/250168155.db2.gz FHYLOTAVYGDZGA-IAQYHMDHSA-N -1 1 373.427 0.874 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(OC)cc1OC ZINC000472616789 250168294 /nfs/dbraw/zinc/16/82/94/250168294.db2.gz FHYLOTAVYGDZGA-NHYWBVRUSA-N -1 1 373.427 0.874 10 0 FCAEMM Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000269604260 211020705 /nfs/dbraw/zinc/02/07/05/211020705.db2.gz PNRCCBBTDNTICL-NSHDSACASA-N -1 1 361.402 0.321 10 0 FCAEMM CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000088199785 208115675 /nfs/dbraw/zinc/11/56/75/208115675.db2.gz LCGQVACUIGBBGY-VIFPVBQESA-N -1 1 353.404 0.607 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(n2cncn2)CC1 ZINC000104150410 208180692 /nfs/dbraw/zinc/18/06/92/208180692.db2.gz VJDSFSMOQBWYNV-UHFFFAOYSA-N -1 1 355.402 0.637 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104911239 208189726 /nfs/dbraw/zinc/18/97/26/208189726.db2.gz KNQBAATUMYRHRN-HNNXBMFYSA-N -1 1 354.410 0.902 10 0 FCAEMM Cc1nc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1 ZINC000266138487 210291353 /nfs/dbraw/zinc/29/13/53/210291353.db2.gz CGIMCERCNQXQGH-UHFFFAOYSA-N -1 1 360.417 0.107 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCc4nn(C)c(=O)cc4C3)cnc2n1 ZINC000177829116 209036111 /nfs/dbraw/zinc/03/61/11/209036111.db2.gz ZDPFEKOXZDFIAX-UHFFFAOYSA-N -1 1 351.366 0.936 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCc3nn(C)c(=O)cc3C1)c2=O ZINC000177829116 209036114 /nfs/dbraw/zinc/03/61/14/209036114.db2.gz ZDPFEKOXZDFIAX-UHFFFAOYSA-N -1 1 351.366 0.936 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000410027851 533407169 /nfs/dbraw/zinc/40/71/69/533407169.db2.gz ICFYNUOJOYPPET-ZYHUDNBSSA-N -1 1 364.427 0.371 10 0 FCAEMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2(c3nn[n-]n3)CC2)no1 ZINC000477044781 484337799 /nfs/dbraw/zinc/33/77/99/484337799.db2.gz AABWLOOECHEGJD-MRVPVSSYSA-N -1 1 351.392 0.362 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)n[n-]1 ZINC000506441576 484468526 /nfs/dbraw/zinc/46/85/26/484468526.db2.gz TUPXVLSPFUUNAC-UHFFFAOYSA-N -1 1 360.355 0.215 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000506441576 484468529 /nfs/dbraw/zinc/46/85/29/484468529.db2.gz TUPXVLSPFUUNAC-UHFFFAOYSA-N -1 1 360.355 0.215 10 0 FCAEMM CCn1nc2c(cc1=O)C[N@@H+](CC(=O)[N-]C(=O)c1ccc(OC)cc1)CC2 ZINC000364020390 488914141 /nfs/dbraw/zinc/91/41/41/488914141.db2.gz PPKMEUFEHWCQFY-UHFFFAOYSA-N -1 1 370.409 0.587 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2C[C@H]1CS2)[N-]CC(F)F ZINC000349474563 489294246 /nfs/dbraw/zinc/29/42/46/489294246.db2.gz KDBYIPSORZDZSW-IUCAKERBSA-N -1 1 364.461 0.081 10 0 FCAEMM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc4nn[nH]c43)CCO2)n1 ZINC000328659296 488927365 /nfs/dbraw/zinc/92/73/65/488927365.db2.gz SMHRAWUSJRFDPP-LBPRGKRZSA-N -1 1 359.365 0.847 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[C@H]1CCCO1 ZINC000023189924 487630246 /nfs/dbraw/zinc/63/02/46/487630246.db2.gz LHEVMMRBIPPKRG-CQSZACIVSA-N -1 1 364.446 0.533 10 0 FCAEMM CCOC(=O)[C@H](CC(C)C)NC(=O)CCCCc1c([O-])nc(N)[nH]c1=O ZINC000048545026 488072979 /nfs/dbraw/zinc/07/29/79/488072979.db2.gz XLLDRGNQBJZMQW-LBPRGKRZSA-N -1 1 368.434 0.865 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(O)c(OC)c2)o1 ZINC000063585237 488306096 /nfs/dbraw/zinc/30/60/96/488306096.db2.gz AOAVLUQVTXNTHB-UHFFFAOYSA-N -1 1 370.383 0.841 10 0 FCAEMM CC[C@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CCN1CC(F)F ZINC000125031347 488597642 /nfs/dbraw/zinc/59/76/42/488597642.db2.gz PBVTYLQJUZWELJ-NSHDSACASA-N -1 1 365.402 0.989 10 0 FCAEMM CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)ccc2c1=O ZINC000129258700 488629875 /nfs/dbraw/zinc/62/98/75/488629875.db2.gz QJCYAOKTVQOASK-NSHDSACASA-N -1 1 369.385 0.243 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1C ZINC000274886324 488740512 /nfs/dbraw/zinc/74/05/12/488740512.db2.gz DZDJCEWAOXLENV-CYBMUJFWSA-N -1 1 367.383 0.479 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000274980678 488750101 /nfs/dbraw/zinc/75/01/01/488750101.db2.gz LMVJBKYFBFOFHR-LLVKDONJSA-N -1 1 360.388 0.284 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc2nonc21 ZINC000275004371 488752602 /nfs/dbraw/zinc/75/26/02/488752602.db2.gz ORZPKVZLJZNVTH-NSHDSACASA-N -1 1 354.388 0.440 10 0 FCAEMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267727695 488815654 /nfs/dbraw/zinc/81/56/54/488815654.db2.gz YJTBLKRPLYKWAM-SNVBAGLBSA-N -1 1 367.431 0.589 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1F ZINC000174006869 488847148 /nfs/dbraw/zinc/84/71/48/488847148.db2.gz HHSORKBSBOFKAY-SECBINFHSA-N -1 1 373.381 0.444 10 0 FCAEMM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176761298 488858707 /nfs/dbraw/zinc/85/87/07/488858707.db2.gz NCHVMKQGOHJPSN-SWLSCSKDSA-N -1 1 359.430 0.992 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2c(C)nn(C)c2C)o1 ZINC000182272647 488864546 /nfs/dbraw/zinc/86/45/46/488864546.db2.gz KTSNTDFQDKMSRD-UHFFFAOYSA-N -1 1 354.432 0.901 10 0 FCAEMM O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364693108 488987519 /nfs/dbraw/zinc/98/75/19/488987519.db2.gz BVRCQBHZOWTXPQ-LALPHHSUSA-N -1 1 357.370 0.675 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(=O)[n-]1 ZINC000329415125 489002535 /nfs/dbraw/zinc/00/25/35/489002535.db2.gz FWQXLTYUHAWUAY-VIFPVBQESA-N -1 1 359.473 0.791 10 0 FCAEMM COc1ccc(OC)c(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289571622 489078127 /nfs/dbraw/zinc/07/81/27/489078127.db2.gz YLJPXIQIDALGQO-NSHDSACASA-N -1 1 361.402 0.933 10 0 FCAEMM O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289590447 489079388 /nfs/dbraw/zinc/07/93/88/489079388.db2.gz JIMNKSPFEBSSPR-NWDGAFQWSA-N -1 1 373.388 0.996 10 0 FCAEMM Cn1ncc2c1nc(N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)nc2N ZINC000290752316 489163156 /nfs/dbraw/zinc/16/31/56/489163156.db2.gz SQHKKNYAPBVMPZ-QMMMGPOBSA-N -1 1 357.340 0.840 10 0 FCAEMM CCN(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@H]1CCOC1 ZINC000570375985 491237290 /nfs/dbraw/zinc/23/72/90/491237290.db2.gz SKYREMAHFYXYKO-AWEZNQCLSA-N -1 1 364.446 0.897 10 0 FCAEMM CCOCCOCC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000369364633 489230191 /nfs/dbraw/zinc/23/01/91/489230191.db2.gz XTFFAEFRPFKQOR-UHFFFAOYSA-N -1 1 354.407 0.741 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)c(C(F)(F)F)n1 ZINC000555351251 491247563 /nfs/dbraw/zinc/24/75/63/491247563.db2.gz BAJQAEHXNLAVBB-WPRPVWTQSA-N -1 1 373.397 0.875 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)NC1(C(F)F)CC1)[N-]c1ccccn1 ZINC000349539390 489311421 /nfs/dbraw/zinc/31/14/21/489311421.db2.gz WPZLHICIICBCMS-UHFFFAOYSA-N -1 1 369.415 0.931 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)c(C(F)(F)F)n1 ZINC000555351248 491247806 /nfs/dbraw/zinc/24/78/06/491247806.db2.gz BAJQAEHXNLAVBB-PSASIEDQSA-N -1 1 373.397 0.875 10 0 FCAEMM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000349569412 489317701 /nfs/dbraw/zinc/31/77/01/489317701.db2.gz BRYMXEWUNMGBQR-UHFFFAOYSA-N -1 1 361.449 0.061 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370852392 489411192 /nfs/dbraw/zinc/41/11/92/489411192.db2.gz NHNGGJROYPBGQK-NWDGAFQWSA-N -1 1 366.447 0.191 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370870787 489418530 /nfs/dbraw/zinc/41/85/30/489418530.db2.gz WHJYYESCTIBFDS-HBNTYKKESA-N -1 1 354.436 0.047 10 0 FCAEMM C[C@@](O)(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CC1 ZINC000287116850 489462476 /nfs/dbraw/zinc/46/24/76/489462476.db2.gz COXRLXBYIJICFO-INIZCTEOSA-N -1 1 370.427 0.513 10 0 FCAEMM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000371445854 489484769 /nfs/dbraw/zinc/48/47/69/489484769.db2.gz XKKLJSMCKBNGOW-UHFFFAOYSA-N -1 1 358.383 0.777 10 0 FCAEMM C[C@@H](C(=O)NC(=O)NC1CC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000414219983 489493312 /nfs/dbraw/zinc/49/33/12/489493312.db2.gz IKHGIEBIIQLTTI-VIFPVBQESA-N -1 1 363.399 0.622 10 0 FCAEMM C[C@@H](C(=O)NC(=O)NC1CC1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000414219983 489493315 /nfs/dbraw/zinc/49/33/15/489493315.db2.gz IKHGIEBIIQLTTI-VIFPVBQESA-N -1 1 363.399 0.622 10 0 FCAEMM COc1cccc(-c2nc(=NC(=O)C(=O)N3CCN[C@@H](C)C3)s[n-]2)c1 ZINC000415412665 489518295 /nfs/dbraw/zinc/51/82/95/489518295.db2.gz HZJAYRPDVINADQ-JTQLQIEISA-N -1 1 361.427 0.394 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCCn3c(=O)ccn(C)c3=O)cnc2n1 ZINC000431648736 489813789 /nfs/dbraw/zinc/81/37/89/489813789.db2.gz LKNBJOGWTVWNOS-UHFFFAOYSA-N -1 1 369.381 0.324 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCn1c(=O)ccn(C)c1=O)c2=O ZINC000431648736 489813793 /nfs/dbraw/zinc/81/37/93/489813793.db2.gz LKNBJOGWTVWNOS-UHFFFAOYSA-N -1 1 369.381 0.324 10 0 FCAEMM C/C=C\C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)OCC ZINC000433879378 489903562 /nfs/dbraw/zinc/90/35/62/489903562.db2.gz VQJGJHULJWLZQS-IBHLPDHGSA-N -1 1 359.404 0.763 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3nnn(C)c3c2)c1 ZINC000461450737 489910866 /nfs/dbraw/zinc/91/08/66/489910866.db2.gz AWYKOUYTXAQJPB-UHFFFAOYSA-N -1 1 361.383 0.834 10 0 FCAEMM CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377527860 489915240 /nfs/dbraw/zinc/91/52/40/489915240.db2.gz KXIPPMFRSAZTIZ-ZDUSSCGKSA-N -1 1 365.434 0.634 10 0 FCAEMM CC(C)c1nnc(NC(=O)CCC(=O)NC2(c3nn[n-]n3)CC2)s1 ZINC000477027968 489932960 /nfs/dbraw/zinc/93/29/60/489932960.db2.gz DVOKEWNSZSEXNJ-UHFFFAOYSA-N -1 1 350.408 0.699 10 0 FCAEMM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)NC2(c3nn[n-]n3)CC2)C1 ZINC000477038882 489935391 /nfs/dbraw/zinc/93/53/91/489935391.db2.gz WMNDKMSFKJDXKH-AWEZNQCLSA-N -1 1 354.414 0.786 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000377887090 489973639 /nfs/dbraw/zinc/97/36/39/489973639.db2.gz CREGWNQQZWIXCB-LLVKDONJSA-N -1 1 351.388 0.434 10 0 FCAEMM CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H](C)O ZINC000477639692 489981172 /nfs/dbraw/zinc/98/11/72/489981172.db2.gz XIRXNMYJUVQBTN-AAEUAGOBSA-N -1 1 372.443 0.759 10 0 FCAEMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000462703370 489989025 /nfs/dbraw/zinc/98/90/25/489989025.db2.gz JYFIWFZETRVOMH-JTQLQIEISA-N -1 1 355.416 0.285 10 0 FCAEMM COc1ccc2c(c1)C=C(C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)CO2 ZINC000446861231 490167603 /nfs/dbraw/zinc/16/76/03/490167603.db2.gz KCGJQQMGGTTYIQ-UHFFFAOYSA-N -1 1 350.356 0.631 10 0 FCAEMM COc1ccc2c(c1)C=C(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)CO2 ZINC000446861231 490167614 /nfs/dbraw/zinc/16/76/14/490167614.db2.gz KCGJQQMGGTTYIQ-UHFFFAOYSA-N -1 1 350.356 0.631 10 0 FCAEMM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113847 490178294 /nfs/dbraw/zinc/17/82/94/490178294.db2.gz RVZVMIZLMXTNOT-UONOGXRCSA-N -1 1 368.397 0.425 10 0 FCAEMM C[C@H](Cn1cncn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000520718898 490181890 /nfs/dbraw/zinc/18/18/90/490181890.db2.gz HRROZNXSXKSOPW-SNVBAGLBSA-N -1 1 355.420 0.766 10 0 FCAEMM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H](C1CC1)N1CCCC1 ZINC000408156934 490261639 /nfs/dbraw/zinc/26/16/39/490261639.db2.gz FASFGGFMCMQNDL-ZDUSSCGKSA-N -1 1 354.432 0.345 10 0 FCAEMM O=C([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H](C1CC1)N1CCCC1 ZINC000408156933 490262293 /nfs/dbraw/zinc/26/22/93/490262293.db2.gz FASFGGFMCMQNDL-CYBMUJFWSA-N -1 1 354.432 0.345 10 0 FCAEMM CNC(=O)[C@@H](CNc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccc(OC)c(F)c1 ZINC000521997266 490322236 /nfs/dbraw/zinc/32/22/36/490322236.db2.gz FACCNEFCHWZBJE-SNVBAGLBSA-N -1 1 374.376 0.597 10 0 FCAEMM CCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1nn[n-]n1 ZINC000467637792 490322991 /nfs/dbraw/zinc/32/29/91/490322991.db2.gz PVDCJOSMDGAEIA-CYBMUJFWSA-N -1 1 366.447 0.834 10 0 FCAEMM CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1nn[n-]n1 ZINC000467634920 490323319 /nfs/dbraw/zinc/32/33/19/490323319.db2.gz KCQUBBIVPFSPRG-GXSJLCMTSA-N -1 1 370.410 0.663 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)o1 ZINC000408395244 490324989 /nfs/dbraw/zinc/32/49/89/490324989.db2.gz LYXATFCOXWWNPU-INIZCTEOSA-N -1 1 369.443 0.709 10 0 FCAEMM O=C(CC1(O)CCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000449154612 490402921 /nfs/dbraw/zinc/40/29/21/490402921.db2.gz NVONEDXWBSYODX-UHFFFAOYSA-N -1 1 370.427 0.657 10 0 FCAEMM COc1cccc(-n2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)nn2)c1 ZINC000449923591 490436793 /nfs/dbraw/zinc/43/67/93/490436793.db2.gz FJEMGPFMELOWIT-UHFFFAOYSA-N -1 1 354.374 0.988 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000548223434 490444799 /nfs/dbraw/zinc/44/47/99/490444799.db2.gz XPYUVMNGTCYDGV-LLVKDONJSA-N -1 1 374.415 0.674 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H](O)C1CCC1 ZINC000450385344 490463340 /nfs/dbraw/zinc/46/33/40/490463340.db2.gz CPZQOEIQLFWGST-HNNXBMFYSA-N -1 1 370.427 0.513 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000535838104 490536044 /nfs/dbraw/zinc/53/60/44/490536044.db2.gz KZZUDOTXPSUCDR-KRWDZBQOSA-N -1 1 364.423 0.961 10 0 FCAEMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000524576634 490544503 /nfs/dbraw/zinc/54/45/03/490544503.db2.gz SHXLDQJBQMSWMI-RYUDHWBXSA-N -1 1 360.418 0.651 10 0 FCAEMM C[C@@H]1Oc2ccccc2N(CC(=O)NC2(c3nn[n-]n3)CCCC2)C1=O ZINC000524576892 490544919 /nfs/dbraw/zinc/54/49/19/490544919.db2.gz ZVXGXVRRZZALQU-NSHDSACASA-N -1 1 356.386 0.899 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000485588305 490545953 /nfs/dbraw/zinc/54/59/53/490545953.db2.gz JNRGEAQSOQCCMC-VHSXEESVSA-N -1 1 360.370 0.109 10 0 FCAEMM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccncc1[O-] ZINC000512021785 490653206 /nfs/dbraw/zinc/65/32/06/490653206.db2.gz YLRTWMPIUZXFCN-QGZVFWFLSA-N -1 1 366.377 0.623 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538225173 490721095 /nfs/dbraw/zinc/72/10/95/490721095.db2.gz FCYSITGUXRCFFU-JHJVBQTASA-N -1 1 360.418 0.471 10 0 FCAEMM Cn1cc(OCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cn1 ZINC000503528656 490761518 /nfs/dbraw/zinc/76/15/18/490761518.db2.gz GTVAFUILCPVGDA-UHFFFAOYSA-N -1 1 366.399 0.584 10 0 FCAEMM CN1CCC(=O)Nc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)ccc21 ZINC000488715013 490772970 /nfs/dbraw/zinc/77/29/70/490772970.db2.gz NXDLKTIJLFTUAM-UHFFFAOYSA-N -1 1 364.387 0.239 10 0 FCAEMM CN1CCC(=O)Nc2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)ccc21 ZINC000488715013 490772972 /nfs/dbraw/zinc/77/29/72/490772972.db2.gz NXDLKTIJLFTUAM-UHFFFAOYSA-N -1 1 364.387 0.239 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539327050 490777303 /nfs/dbraw/zinc/77/73/03/490777303.db2.gz RSZCCAIFFUYBEY-QWHCGFSZSA-N -1 1 370.479 0.500 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O)c1ccc(F)cc1 ZINC000528337106 490789307 /nfs/dbraw/zinc/78/93/07/490789307.db2.gz HQRBDRMQIXRNEE-UONOGXRCSA-N -1 1 372.418 0.969 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)co1 ZINC000529996880 490885879 /nfs/dbraw/zinc/88/58/79/490885879.db2.gz MHGMXZFXGWWVOP-CYBMUJFWSA-N -1 1 363.395 0.744 10 0 FCAEMM C[C@@H]1CC[N@@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000565203989 491360141 /nfs/dbraw/zinc/36/01/41/491360141.db2.gz KZUVBYZIYGUNBU-LLVKDONJSA-N -1 1 361.414 0.701 10 0 FCAEMM C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000572390665 491367111 /nfs/dbraw/zinc/36/71/11/491367111.db2.gz RNEJOBZDOCYZGE-SNVBAGLBSA-N -1 1 363.395 0.797 10 0 FCAEMM CCN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)[C@H]1c1cccnc1 ZINC000562530862 491172141 /nfs/dbraw/zinc/17/21/41/491172141.db2.gz FJXXYAIGJHGQNS-OFQRWUPVSA-N -1 1 369.429 0.910 10 0 FCAEMM CO[C@H](C)c1nc(=NC(CS(=O)(=O)N(C)C)C(F)(F)F)s[n-]1 ZINC000557425938 491374104 /nfs/dbraw/zinc/37/41/04/491374104.db2.gz CDXWQWHYXCLWRT-RQJHMYQMSA-N -1 1 362.399 0.902 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C[C@@H]1C(=O)[O-] ZINC000565596673 491387880 /nfs/dbraw/zinc/38/78/80/491387880.db2.gz GMIKAODDIABHRQ-HIFRSBDPSA-N -1 1 351.447 0.642 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C)CO)cc1)C1CC1 ZINC000566619916 491456676 /nfs/dbraw/zinc/45/66/76/491456676.db2.gz IVRSGZLWALXDPU-IAQYHMDHSA-N -1 1 356.444 0.964 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c(F)c1 ZINC000673574247 493347333 /nfs/dbraw/zinc/34/73/33/493347333.db2.gz XXTYECWGJQIXJV-UHFFFAOYSA-N -1 1 360.342 0.624 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000575803702 491562245 /nfs/dbraw/zinc/56/22/45/491562245.db2.gz YGVYKFDXMUUKOJ-VNQPRFMTSA-N -1 1 361.442 0.975 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000577985797 491666727 /nfs/dbraw/zinc/66/67/27/491666727.db2.gz LQNQWVOFHPHORL-UHFFFAOYSA-N -1 1 360.370 0.920 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000579953038 491710640 /nfs/dbraw/zinc/71/06/40/491710640.db2.gz CALMWHFAQQFCJC-GJZGRUSLSA-N -1 1 356.444 0.900 10 0 FCAEMM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cc(F)ccc1F ZINC000585809133 491730241 /nfs/dbraw/zinc/73/02/41/491730241.db2.gz TTZIRWPYOLAYEF-UHFFFAOYSA-N -1 1 354.400 0.669 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)nc2n1 ZINC000588006316 491737343 /nfs/dbraw/zinc/73/73/43/491737343.db2.gz CVHYSGBXKOIPNL-SNVBAGLBSA-N -1 1 370.344 0.857 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC3COCCOC3)CC2)n1 ZINC000589940002 491767671 /nfs/dbraw/zinc/76/76/71/491767671.db2.gz LTUXUSBULBECLU-UHFFFAOYSA-N -1 1 367.406 0.286 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1C)c1ccnn1C ZINC000592089823 491831364 /nfs/dbraw/zinc/83/13/64/491831364.db2.gz AKVXJPWYUJXBHU-AWEZNQCLSA-N -1 1 353.400 0.930 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ccnn1C ZINC000592091499 491831472 /nfs/dbraw/zinc/83/14/72/491831472.db2.gz JINXCQONSAUYTA-AWEZNQCLSA-N -1 1 351.384 0.548 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C)c1)c1ccnn1C ZINC000592091332 491831748 /nfs/dbraw/zinc/83/17/48/491831748.db2.gz IAUZZRJCPPUMKT-CQSZACIVSA-N -1 1 353.400 0.930 10 0 FCAEMM CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000583476411 491845736 /nfs/dbraw/zinc/84/57/36/491845736.db2.gz VRPNWBIITHLONV-JTQLQIEISA-N -1 1 350.400 0.029 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(N)noc1C ZINC000584298538 491862537 /nfs/dbraw/zinc/86/25/37/491862537.db2.gz UYPLIVSYAKEJLM-NSHDSACASA-N -1 1 354.388 0.413 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)o1 ZINC000594847344 491866211 /nfs/dbraw/zinc/86/62/11/491866211.db2.gz DIVSIDSFSRBHPN-BDAKNGLRSA-N -1 1 351.402 0.310 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)o1 ZINC000594849917 491866450 /nfs/dbraw/zinc/86/64/50/491866450.db2.gz RLFODBSVXGNOJQ-VHSXEESVSA-N -1 1 365.429 0.700 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000594865699 491868127 /nfs/dbraw/zinc/86/81/27/491868127.db2.gz LNYOXVJRGDFEGZ-NSHDSACASA-N -1 1 353.397 0.671 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)cc1C ZINC000595320419 491918180 /nfs/dbraw/zinc/91/81/80/491918180.db2.gz FBYHWHNEXVNQDU-ZDUSSCGKSA-N -1 1 363.413 0.702 10 0 FCAEMM O=C(CCn1nnc2ccccc2c1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381751 492093228 /nfs/dbraw/zinc/09/32/28/492093228.db2.gz SUPYQFWUDJSNNR-UHFFFAOYSA-N -1 1 354.374 0.280 10 0 FCAEMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000615919651 492107871 /nfs/dbraw/zinc/10/78/71/492107871.db2.gz IJNUVHDEEWWPAW-LLVKDONJSA-N -1 1 351.407 0.779 10 0 FCAEMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000615919651 492107874 /nfs/dbraw/zinc/10/78/74/492107874.db2.gz IJNUVHDEEWWPAW-LLVKDONJSA-N -1 1 351.407 0.779 10 0 FCAEMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1 ZINC000606753184 492129456 /nfs/dbraw/zinc/12/94/56/492129456.db2.gz UHJMBDUQSLKROE-UHFFFAOYSA-N -1 1 352.397 0.783 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000599405213 492168989 /nfs/dbraw/zinc/16/89/89/492168989.db2.gz SEUYFMFFJOSCTD-BXUZGUMPSA-N -1 1 373.427 0.508 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000599404699 492169059 /nfs/dbraw/zinc/16/90/59/492169059.db2.gz WBMWZJNQIFQVOM-CQDKDKBSSA-N -1 1 357.428 0.876 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)C(=O)N2CCCC2)o1 ZINC000599477481 492178380 /nfs/dbraw/zinc/17/83/80/492178380.db2.gz XDHRELJJPALKJR-UHFFFAOYSA-N -1 1 358.416 0.993 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@]1(OCCO)CCOC1 ZINC000617709895 492181612 /nfs/dbraw/zinc/18/16/12/492181612.db2.gz BHNFUYHNWCEPLS-QGZVFWFLSA-N -1 1 353.419 0.686 10 0 FCAEMM CO[C@@]1(CO)CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000617794693 492192207 /nfs/dbraw/zinc/19/22/07/492192207.db2.gz KCUZZUOKJFNFFX-IBGZPJMESA-N -1 1 372.425 0.683 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cn1 ZINC000610317416 492242218 /nfs/dbraw/zinc/24/22/18/492242218.db2.gz ZUVKMZBOUMLDQR-UHFFFAOYSA-N -1 1 362.371 0.438 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(CC(=O)OC)cc2)o1 ZINC000600222487 492250370 /nfs/dbraw/zinc/25/03/70/492250370.db2.gz ANAOUTNCOLXAIM-UHFFFAOYSA-N -1 1 366.395 0.833 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H](C)O1 ZINC000600377325 492265815 /nfs/dbraw/zinc/26/58/15/492265815.db2.gz GURBVRBGCWJUDC-RNCFNFMXSA-N -1 1 362.386 0.383 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(CC(N)=O)CCCCC2)o1 ZINC000620698828 492324413 /nfs/dbraw/zinc/32/44/13/492324413.db2.gz UICKJJDOCLSCDR-UHFFFAOYSA-N -1 1 357.432 0.743 10 0 FCAEMM CN(CC(=O)N1CCNCC1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000647688798 492345056 /nfs/dbraw/zinc/34/50/56/492345056.db2.gz WJRPVISSZSQTJU-UHFFFAOYSA-N -1 1 361.377 0.221 10 0 FCAEMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)n2)c1 ZINC000655294895 492427194 /nfs/dbraw/zinc/42/71/94/492427194.db2.gz JWOCGYWZVCXVIW-QWHCGFSZSA-N -1 1 360.389 0.916 10 0 FCAEMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)C1 ZINC000622871577 492491577 /nfs/dbraw/zinc/49/15/77/492491577.db2.gz AJFMAYOADRYEMA-PWSUYJOCSA-N -1 1 360.418 0.949 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C2CCC2)o1 ZINC000649197966 492510017 /nfs/dbraw/zinc/51/00/17/492510017.db2.gz YCCXKRGONITGHD-LBPRGKRZSA-N -1 1 369.443 0.838 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3CN(C)C2=O)co1 ZINC000623288491 492538746 /nfs/dbraw/zinc/53/87/46/492538746.db2.gz ZGAFJXNMLPWHAZ-AWEZNQCLSA-N -1 1 363.395 0.631 10 0 FCAEMM CO[C@H](CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(F)cc1 ZINC000629292268 492602817 /nfs/dbraw/zinc/60/28/17/492602817.db2.gz FKPXIKGSJLQBNJ-UONOGXRCSA-N -1 1 371.390 0.852 10 0 FCAEMM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc2ccccn21 ZINC000629628858 492660863 /nfs/dbraw/zinc/66/08/63/492660863.db2.gz JSWKCIZAWRYBBR-GHMZBOCLSA-N -1 1 373.460 0.189 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC23CC3)o1 ZINC000629830142 492689320 /nfs/dbraw/zinc/68/93/20/492689320.db2.gz ACMNXDZJYVHHIF-SNVBAGLBSA-N -1 1 355.416 0.353 10 0 FCAEMM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000629879617 492692461 /nfs/dbraw/zinc/69/24/61/492692461.db2.gz SVFBWBDUUXMMRM-QAVQXKDTSA-N -1 1 369.443 0.862 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCOC1)c1ncccc1Br ZINC000657013177 492693984 /nfs/dbraw/zinc/69/39/84/492693984.db2.gz KSUIMAKVOLBAMT-ONGXEEELSA-N -1 1 365.249 0.910 10 0 FCAEMM COC[C@]1(C)CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCO1 ZINC000629905161 492699141 /nfs/dbraw/zinc/69/91/41/492699141.db2.gz MBSAOXMGXHZOBZ-IBGZPJMESA-N -1 1 372.425 0.947 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)c(=O)n(C)c1=O ZINC000657040265 492701672 /nfs/dbraw/zinc/70/16/72/492701672.db2.gz NBTPRRKTZSHZTH-CYBMUJFWSA-N -1 1 355.460 0.865 10 0 FCAEMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000625279077 492750702 /nfs/dbraw/zinc/75/07/02/492750702.db2.gz QHYMBZDWXXHZJT-VHSXEESVSA-N -1 1 363.448 0.789 10 0 FCAEMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000625279078 492750743 /nfs/dbraw/zinc/75/07/43/492750743.db2.gz QHYMBZDWXXHZJT-ZJUUUORDSA-N -1 1 363.448 0.789 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O)[C@H]1CCOC1 ZINC000625521266 492809734 /nfs/dbraw/zinc/80/97/34/492809734.db2.gz HJMVVBZBSJEMSJ-NWANDNLSSA-N -1 1 354.428 0.521 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCCC1 ZINC000632048853 492920103 /nfs/dbraw/zinc/92/01/03/492920103.db2.gz VKYMUWXRXAIHDZ-OCCSQVGLSA-N -1 1 370.475 0.793 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000645573253 492930018 /nfs/dbraw/zinc/93/00/18/492930018.db2.gz UDJGVFVDQFRRBA-LERXQTSPSA-N -1 1 356.448 0.258 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632197040 492948888 /nfs/dbraw/zinc/94/88/88/492948888.db2.gz KNWYWBKXZDJOJN-STQMWFEESA-N -1 1 355.391 0.081 10 0 FCAEMM CN1CCO[C@H]([C@H](NC(=O)CCc2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000632223719 492953470 /nfs/dbraw/zinc/95/34/70/492953470.db2.gz RGVACWAJGUMUOT-XJKSGUPXSA-N -1 1 364.837 0.974 10 0 FCAEMM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)C1 ZINC000632285157 492965464 /nfs/dbraw/zinc/96/54/64/492965464.db2.gz GSBQBDKMCCTJAO-CYBMUJFWSA-N -1 1 370.406 0.626 10 0 FCAEMM Cc1cccc(C2([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CCC2)c1 ZINC000645816346 492978032 /nfs/dbraw/zinc/97/80/32/492978032.db2.gz NDRNAPRCUAJCGT-UHFFFAOYSA-N -1 1 363.439 0.750 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1=O ZINC000632441352 492998102 /nfs/dbraw/zinc/99/81/02/492998102.db2.gz YSZCUJYJYGIKBH-DUFXMDAXSA-N -1 1 374.484 0.861 10 0 FCAEMM Cc1cc(C(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)[C@H](C)C2)n[nH]1 ZINC000646180716 493024149 /nfs/dbraw/zinc/02/41/49/493024149.db2.gz ZAVKMAJCRNKPSQ-FRRDWIJNSA-N -1 1 363.418 0.827 10 0 FCAEMM O=S(=O)([N-]C1CN(c2ccncn2)C1)c1ncccc1Br ZINC000632705699 493068144 /nfs/dbraw/zinc/06/81/44/493068144.db2.gz MRVVCIYTVBCABZ-UHFFFAOYSA-N -1 1 370.232 0.801 10 0 FCAEMM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000633062507 493110319 /nfs/dbraw/zinc/11/03/19/493110319.db2.gz CDSNXYKHBSJOGP-SFHVURJKSA-N -1 1 367.446 0.023 10 0 FCAEMM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000681578617 493189350 /nfs/dbraw/zinc/18/93/50/493189350.db2.gz QNNUNWLDPDBVIA-CYBMUJFWSA-N -1 1 372.491 0.762 10 0 FCAEMM CN1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)[C@H]1c1ccccc1 ZINC000659658329 493235109 /nfs/dbraw/zinc/23/51/09/493235109.db2.gz MZDSKGVFKCHRDO-HUUCEWRRSA-N -1 1 359.426 0.919 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)on1 ZINC000660011966 493314873 /nfs/dbraw/zinc/31/48/73/493314873.db2.gz JFGFQZUHIFQPAF-UHFFFAOYSA-N -1 1 369.355 0.501 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)o1 ZINC000684168591 493398038 /nfs/dbraw/zinc/39/80/38/493398038.db2.gz JNNWIWWTKDOBEI-UHFFFAOYSA-N -1 1 361.379 0.959 10 0 FCAEMM CCN1CC[C@H](NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1=O ZINC000669974615 493537899 /nfs/dbraw/zinc/53/78/99/493537899.db2.gz MVCPSTRPKDCCKM-NSHDSACASA-N -1 1 370.431 0.809 10 0 FCAEMM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677047595 493583027 /nfs/dbraw/zinc/58/30/27/493583027.db2.gz FLYPUFAVYVKPKT-LBPRGKRZSA-N -1 1 353.386 0.706 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)C1CCC1 ZINC000663631362 493607048 /nfs/dbraw/zinc/60/70/48/493607048.db2.gz ZLDYZFQCKYTOBV-GJZGRUSLSA-N -1 1 351.447 0.737 10 0 FCAEMM Cn1nnnc1CCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678510074 493647740 /nfs/dbraw/zinc/64/77/40/493647740.db2.gz RBEGYRZZBRTOBL-UHFFFAOYSA-N -1 1 358.402 0.763 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)co1 ZINC000672186919 493741505 /nfs/dbraw/zinc/74/15/05/493741505.db2.gz OSMWOAOEGAQYLM-VXNVDRBHSA-N -1 1 356.322 0.980 10 0 FCAEMM COCCCOc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000439146513 536624697 /nfs/dbraw/zinc/62/46/97/536624697.db2.gz MNDPBAVKWSTANT-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM COCCCOc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000439146513 536624701 /nfs/dbraw/zinc/62/47/01/536624701.db2.gz MNDPBAVKWSTANT-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM Cn1nccc1[C@@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000592106096 546608077 /nfs/dbraw/zinc/60/80/77/546608077.db2.gz PAKXGGZFLWMUDY-DGCLKSJQSA-N -1 1 359.448 0.759 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccnn1C ZINC000592094160 546611258 /nfs/dbraw/zinc/61/12/58/546611258.db2.gz BMQZCTYWRPPNPQ-GXSJLCMTSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2COCCOC2)c1F ZINC000594462484 546794498 /nfs/dbraw/zinc/79/44/98/546794498.db2.gz ONNMSEIEDGNVFO-UHFFFAOYSA-N -1 1 367.782 0.959 10 0 FCAEMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594791924 546825091 /nfs/dbraw/zinc/82/50/91/546825091.db2.gz AGOMIAMPTBLCGO-RWMBFGLXSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594791922 546825346 /nfs/dbraw/zinc/82/53/46/546825346.db2.gz AGOMIAMPTBLCGO-AVGNSLFASA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)o1 ZINC000594803019 546827159 /nfs/dbraw/zinc/82/71/59/546827159.db2.gz IHELBOUOMPXEAC-LLVKDONJSA-N -1 1 364.379 0.932 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000594806933 546828540 /nfs/dbraw/zinc/82/85/40/546828540.db2.gz FDUILVBBKTWYCS-CYZMBNFOSA-N -1 1 361.416 0.911 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@H](OC)C2)o1 ZINC000594806421 546828684 /nfs/dbraw/zinc/82/86/84/546828684.db2.gz ADGSZSKVFJBTQL-SDDRHHMPSA-N -1 1 361.416 0.911 10 0 FCAEMM CC1(C)[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)CS1(=O)=O ZINC000867442423 663137798 /nfs/dbraw/zinc/13/77/98/663137798.db2.gz GMIIQWCNLJKFPO-LURJTMIESA-N -1 1 358.235 0.896 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804690606 663228256 /nfs/dbraw/zinc/22/82/56/663228256.db2.gz BQSGDVZUDWUTMB-NSHDSACASA-N -1 1 369.472 0.562 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000046802139 663330963 /nfs/dbraw/zinc/33/09/63/663330963.db2.gz IDGSSBVDDGZBJN-GARJFASQSA-N -1 1 350.872 0.850 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000866871124 663472595 /nfs/dbraw/zinc/47/25/95/663472595.db2.gz FLLGTGCZPRVKRJ-GFCCVEGCSA-N -1 1 363.509 0.731 10 0 FCAEMM O=C([N-]CCCOC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(F)(F)F ZINC000923775632 663932957 /nfs/dbraw/zinc/93/29/57/663932957.db2.gz RSNYWVXOHNGYSH-NEPJUHHUSA-N -1 1 368.352 0.478 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CC1=O ZINC000866893218 664288842 /nfs/dbraw/zinc/28/88/42/664288842.db2.gz NQCDWDHRKLVNBP-CSMHCCOUSA-N -1 1 363.237 0.460 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000866967045 665252779 /nfs/dbraw/zinc/25/27/79/665252779.db2.gz GGYKEKVCCVFUJQ-CHWSQXEVSA-N -1 1 350.481 0.603 10 0 FCAEMM CSC[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000910877129 666286588 /nfs/dbraw/zinc/28/65/88/666286588.db2.gz FIWQINOFAMBUOG-HNNXBMFYSA-N -1 1 351.472 0.980 10 0 FCAEMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000921317625 666431975 /nfs/dbraw/zinc/43/19/75/666431975.db2.gz FKIDOUVARLTJTM-YPMHNXCESA-N -1 1 366.436 0.269 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCS(=O)(=O)C1 ZINC000921465719 666448886 /nfs/dbraw/zinc/44/88/86/666448886.db2.gz MJQUQUOVDOFNGO-GFCCVEGCSA-N -1 1 355.384 0.447 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c(C(F)(F)F)n1 ZINC000918275634 667108732 /nfs/dbraw/zinc/10/87/32/667108732.db2.gz CINVIMCHZNSSDJ-UHFFFAOYSA-N -1 1 368.381 0.580 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1c(F)cccc1Cl ZINC000918980460 667145877 /nfs/dbraw/zinc/14/58/77/667145877.db2.gz MMEVNYMQAXOZMV-JTQLQIEISA-N -1 1 352.815 0.451 10 0 FCAEMM CN1C[C@H](CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000921050415 667266144 /nfs/dbraw/zinc/26/61/44/667266144.db2.gz YJVYCEVGTMRPPP-MRVPVSSYSA-N -1 1 354.354 0.586 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000758173422 667746149 /nfs/dbraw/zinc/74/61/49/667746149.db2.gz GQTJETVVJYZIFR-NSHDSACASA-N -1 1 372.834 0.921 10 0 FCAEMM CC(=O)Nc1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)ccc1F ZINC000737545743 667875772 /nfs/dbraw/zinc/87/57/72/667875772.db2.gz RWRPGSAAOKPHLC-UHFFFAOYSA-N -1 1 373.406 0.565 10 0 FCAEMM O=C(CCCNC(=O)c1ccsc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738057209 667901205 /nfs/dbraw/zinc/90/12/05/667901205.db2.gz YYJLPQRICPLQIS-LLVKDONJSA-N -1 1 350.404 0.371 10 0 FCAEMM Cn1[n-]c(COC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000765502962 668008567 /nfs/dbraw/zinc/00/85/67/668008567.db2.gz LWUCXQSFGQYVGY-UHFFFAOYSA-N -1 1 356.379 0.178 10 0 FCAEMM CCc1cnc(N2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)s1 ZINC000742130418 668026805 /nfs/dbraw/zinc/02/68/05/668026805.db2.gz VYRWUCMDGXUUKY-UHFFFAOYSA-N -1 1 363.443 0.294 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](C)C(C)(C)O)c(=O)[nH]c1=O ZINC000769649857 668145876 /nfs/dbraw/zinc/14/58/76/668145876.db2.gz AVQNDGBPQOURQV-NSHDSACASA-N -1 1 361.464 0.967 10 0 FCAEMM CC(=O)N1CC[C@@](C)(C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782648730 668573934 /nfs/dbraw/zinc/57/39/34/668573934.db2.gz HVTQSFXNYNSSGT-CYBMUJFWSA-N -1 1 354.325 0.483 10 0 FCAEMM COC(=O)CCNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785733 668726001 /nfs/dbraw/zinc/72/60/01/668726001.db2.gz MKIBGOMXCIPRPQ-KWBADKCTSA-N -1 1 367.368 0.443 10 0 FCAEMM CCS(=O)(=O)NCCN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788404 668733948 /nfs/dbraw/zinc/73/39/48/668733948.db2.gz FHJPQOROFXXPLR-DCAQKATOSA-N -1 1 359.414 0.703 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCC[C@H]2CCCCO2)o1 ZINC000786201577 668750634 /nfs/dbraw/zinc/75/06/34/668750634.db2.gz UYOILKQNHIVWPT-SNVBAGLBSA-N -1 1 360.388 0.159 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1C[C@H](O)C[C@H](O)C1 ZINC000790703611 668881100 /nfs/dbraw/zinc/88/11/00/668881100.db2.gz SDHUVVRFXCRHAP-DTORHVGOSA-N -1 1 363.151 0.565 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2nc(Br)cs2)n1 ZINC000792298551 668902489 /nfs/dbraw/zinc/90/24/89/668902489.db2.gz WUZCVIXRUJAHRI-UHFFFAOYSA-N -1 1 352.195 0.680 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2nc(Br)cs2)n[n-]1 ZINC000792298551 668902490 /nfs/dbraw/zinc/90/24/90/668902490.db2.gz WUZCVIXRUJAHRI-UHFFFAOYSA-N -1 1 352.195 0.680 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(N)=O)CC2)c(F)cc1Cl ZINC000795881229 669068446 /nfs/dbraw/zinc/06/84/46/669068446.db2.gz OXWQGQWIKRLHGL-UHFFFAOYSA-N -1 1 350.755 0.562 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)OC)c(F)cc1Cl ZINC000795910860 669070528 /nfs/dbraw/zinc/07/05/28/669070528.db2.gz GEGSFUPBHXVZPM-SECBINFHSA-N -1 1 369.754 0.078 10 0 FCAEMM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2[nH]cnc2cc1F ZINC000820645957 669112327 /nfs/dbraw/zinc/11/23/27/669112327.db2.gz RVDFSGFYSFSAOJ-HTQZYQBOSA-N -1 1 357.363 0.959 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c(Br)n1 ZINC000867024885 669290041 /nfs/dbraw/zinc/29/00/41/669290041.db2.gz JEWKPTOGFUUGGX-ZETCQYMHSA-N -1 1 366.159 0.774 10 0 FCAEMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867028239 669331171 /nfs/dbraw/zinc/33/11/71/669331171.db2.gz YOEUHHPVZKXHRD-RXMQYKEDSA-N -1 1 365.280 0.914 10 0 FCAEMM C[C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000824752723 669412206 /nfs/dbraw/zinc/41/22/06/669412206.db2.gz HYRXBHHVMKYQIG-VWYCJHECSA-N -1 1 370.393 0.869 10 0 FCAEMM C[C@H]1CCN(C(=O)CCS(C)(=O)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802086 669517287 /nfs/dbraw/zinc/51/72/87/669517287.db2.gz AQAQDZRMEKNCEX-QXEWZRGKSA-N -1 1 358.382 0.725 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802291 669517321 /nfs/dbraw/zinc/51/73/21/669517321.db2.gz RLBITOFTETZRCF-YFKTTZPYSA-N -1 1 351.369 0.621 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O)C1CCOCC1 ZINC000827625683 669584704 /nfs/dbraw/zinc/58/47/04/669584704.db2.gz PSAVGIZQIXOUNU-USXIJHARSA-N -1 1 371.455 0.842 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)c1ccnn1C ZINC000828132615 669619079 /nfs/dbraw/zinc/61/90/79/669619079.db2.gz KZNYGONDHFNUDJ-HNNXBMFYSA-N -1 1 363.395 0.987 10 0 FCAEMM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810682346 669697117 /nfs/dbraw/zinc/69/71/17/669697117.db2.gz XIGGPCRMDJFXGE-JRPNMDOOSA-N -1 1 366.455 0.843 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CCCN1c1cccnc1 ZINC000831087008 669827443 /nfs/dbraw/zinc/82/74/43/669827443.db2.gz VAHRCJXXZQPHCC-SNVBAGLBSA-N -1 1 355.807 0.932 10 0 FCAEMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000867071970 669846824 /nfs/dbraw/zinc/84/68/24/669846824.db2.gz QAYISXQXHYOZEU-SPSFWMDKSA-N -1 1 371.484 0.989 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccn2)c(C(F)(F)F)n1 ZINC000815031485 669896580 /nfs/dbraw/zinc/89/65/80/669896580.db2.gz VGNWNKFYJSROQW-VIFPVBQESA-N -1 1 350.322 0.846 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2CCOC(C)(C)C2)c1C(F)(F)F ZINC000867146129 670017932 /nfs/dbraw/zinc/01/79/32/670017932.db2.gz NWBUHAVUJPZYRR-UHFFFAOYSA-N -1 1 370.397 0.828 10 0 FCAEMM CNC(=O)C[C@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000836634277 670055361 /nfs/dbraw/zinc/05/53/61/670055361.db2.gz YVMMTWKEOWSTHV-GMOBBJLQSA-N -1 1 366.384 0.998 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000867196145 670064704 /nfs/dbraw/zinc/06/47/04/670064704.db2.gz RBRXTUHEGSQRHV-VERVWZFWSA-N -1 1 363.509 0.649 10 0 FCAEMM COC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CCCO1 ZINC000867207813 670074820 /nfs/dbraw/zinc/07/48/20/670074820.db2.gz VYYVVWBHHLBCJM-DTWKUNHWSA-N -1 1 357.354 0.911 10 0 FCAEMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867213668 670079132 /nfs/dbraw/zinc/07/91/32/670079132.db2.gz AQDFRSFQPLDIRB-JTQLQIEISA-N -1 1 368.381 0.976 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)c1C(F)(F)F ZINC000867220202 670087201 /nfs/dbraw/zinc/08/72/01/670087201.db2.gz JKSRORACIIHMDC-SECBINFHSA-N -1 1 357.354 0.505 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)[C@H]1CCOC1 ZINC000867496317 670124706 /nfs/dbraw/zinc/12/47/06/670124706.db2.gz ABHYGXKUHISNBD-JGVFFNPUSA-N -1 1 354.226 0.502 10 0 FCAEMM C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000841436974 670559413 /nfs/dbraw/zinc/55/94/13/670559413.db2.gz ZIPWCNSLWMQWFM-WYCDGMCDSA-N -1 1 351.325 0.787 10 0 FCAEMM C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000841436971 670559567 /nfs/dbraw/zinc/55/95/67/670559567.db2.gz ZIPWCNSLWMQWFM-BQHMLIOBSA-N -1 1 351.325 0.787 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2COC[C@H]2OC)c(F)cc1Cl ZINC000841552187 670591304 /nfs/dbraw/zinc/59/13/04/670591304.db2.gz JSAXUEQCEYQECK-WDEREUQCSA-N -1 1 367.782 0.958 10 0 FCAEMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867272950 670610422 /nfs/dbraw/zinc/61/04/22/670610422.db2.gz RQJDMIJAIJQELR-ZETCQYMHSA-N -1 1 374.410 0.585 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cc(C(F)(F)F)nn2C)CCC1 ZINC000843013250 670766099 /nfs/dbraw/zinc/76/60/99/670766099.db2.gz DXCSVDWQAYOTHS-UHFFFAOYSA-N -1 1 368.381 0.983 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2ccc([S@](C)=O)cc2)CCC1 ZINC000843014799 670766653 /nfs/dbraw/zinc/76/66/53/670766653.db2.gz REALUSVTVHMBMJ-QHCPKHFHSA-N -1 1 372.512 0.897 10 0 FCAEMM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843017314 670767206 /nfs/dbraw/zinc/76/72/06/670767206.db2.gz BIYUBOFTDSEZQW-UHFFFAOYSA-N -1 1 351.432 0.582 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cc3c(cn2)OCCO3)CCC1 ZINC000843016075 670767447 /nfs/dbraw/zinc/76/74/47/670767447.db2.gz ZKLPQJWGJOVSSP-UHFFFAOYSA-N -1 1 355.416 0.397 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3cnnn3)c2)CCC1 ZINC000843019272 670769163 /nfs/dbraw/zinc/76/91/63/670769163.db2.gz ODKZGUHBJKNHQJ-UHFFFAOYSA-N -1 1 364.431 0.206 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(-n3cnnn3)cc2)CCC1 ZINC000843019735 670769211 /nfs/dbraw/zinc/76/92/11/670769211.db2.gz ZZEYZLQKKUHZRR-UHFFFAOYSA-N -1 1 364.431 0.206 10 0 FCAEMM C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019383 670769331 /nfs/dbraw/zinc/76/93/31/670769331.db2.gz OVUBPPHEUDRHBM-SNVBAGLBSA-N -1 1 361.493 0.226 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000843958900 670873540 /nfs/dbraw/zinc/87/35/40/670873540.db2.gz DEPCYUCRQNKFNI-UHFFFAOYSA-N -1 1 353.281 0.565 10 0 FCAEMM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867344587 670891366 /nfs/dbraw/zinc/89/13/66/670891366.db2.gz GQQWFNHKQDAEJL-BDAKNGLRSA-N -1 1 357.354 0.769 10 0 FCAEMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000845975395 671059835 /nfs/dbraw/zinc/05/98/35/671059835.db2.gz IJPIWADRQYPLKG-ZETCQYMHSA-N -1 1 372.216 0.671 10 0 FCAEMM CC1(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])CC1 ZINC000849232471 671323774 /nfs/dbraw/zinc/32/37/74/671323774.db2.gz NIFOSMOBYZHXFA-HTQZYQBOSA-N -1 1 358.338 0.465 10 0 FCAEMM CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000849232905 671324159 /nfs/dbraw/zinc/32/41/59/671324159.db2.gz TXCBIBQSSIAWQM-RKDXNWHRSA-N -1 1 360.354 0.712 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O)[C@@H]1CCOC1 ZINC000849393652 671335133 /nfs/dbraw/zinc/33/51/33/671335133.db2.gz BPRLTGFRNSWQQQ-CUBALJKWSA-N -1 1 357.428 0.452 10 0 FCAEMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000849401846 671337878 /nfs/dbraw/zinc/33/78/78/671337878.db2.gz MCPMWMZANJLGPC-UHFFFAOYSA-N -1 1 352.210 0.532 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1 ZINC000851699354 671459771 /nfs/dbraw/zinc/45/97/71/671459771.db2.gz BNFUOXRKFIHNHH-ZYHUDNBSSA-N -1 1 359.304 0.747 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cncnc1 ZINC000851703502 671461853 /nfs/dbraw/zinc/46/18/53/671461853.db2.gz PKTGZRSTFZRRLN-KOLCDFICSA-N -1 1 360.292 0.142 10 0 FCAEMM C[C@@H]1CN(CC[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CCO1 ZINC000852734415 671520817 /nfs/dbraw/zinc/52/08/17/671520817.db2.gz AXEJJOYXMQMMLK-WOPDTQHZSA-N -1 1 367.368 0.303 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])ncn1 ZINC000852958131 671534044 /nfs/dbraw/zinc/53/40/44/671534044.db2.gz DRABEWKELALLQX-WPRPVWTQSA-N -1 1 360.292 0.521 10 0 FCAEMM C[C@H]1CCN(C(=O)C2(n3cnnn3)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000854470192 671580242 /nfs/dbraw/zinc/58/02/42/671580242.db2.gz YBLXDXUDWNFAFB-GUBZILKMSA-N -1 1 360.340 0.466 10 0 FCAEMM CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858881967 671780830 /nfs/dbraw/zinc/78/08/30/671780830.db2.gz ILOPFRKFGOIWDY-UHFFFAOYSA-N -1 1 354.201 0.788 10 0 FCAEMM COC(=O)NCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859182714 671798615 /nfs/dbraw/zinc/79/86/15/671798615.db2.gz ZTBZOOXCMJBBBC-UHFFFAOYSA-N -1 1 356.173 0.618 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CCO1 ZINC000903642431 675956960 /nfs/dbraw/zinc/95/69/60/675956960.db2.gz NJKOUVGOIXHFSJ-JTQLQIEISA-N -1 1 364.436 0.002 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CS(=O)(=O)N(C)C)c1 ZINC000861145918 671940870 /nfs/dbraw/zinc/94/08/70/671940870.db2.gz JPLQWFJNVGQDHP-SAHAZLINSA-N -1 1 363.457 0.626 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1CCC(OC)CC1 ZINC000866752475 672298032 /nfs/dbraw/zinc/29/80/32/672298032.db2.gz PWGUHMOFLISXIX-OAQYLSRUSA-N -1 1 355.526 0.828 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@H](N2CCOCC2)C1(C)C ZINC000867451402 672317635 /nfs/dbraw/zinc/31/76/35/672317635.db2.gz FUKDIICEBFLPDW-OABGYEMISA-N -1 1 353.510 0.438 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)c1Cl ZINC000867452586 672318031 /nfs/dbraw/zinc/31/80/31/672318031.db2.gz HITGMJIFZPTWSG-QWRGUYRKSA-N -1 1 362.883 0.851 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F ZINC000867496480 672326090 /nfs/dbraw/zinc/32/60/90/672326090.db2.gz DENWTGKVUYHUPT-GOSISDBHSA-N -1 1 358.429 0.640 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc(F)c(F)cc3F)COCCN12 ZINC000867750051 672363208 /nfs/dbraw/zinc/36/32/08/672363208.db2.gz SSDJXULXLRURDM-ZDUSSCGKSA-N -1 1 366.317 0.603 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)c(=O)n(C)c1=O ZINC000867846798 672373510 /nfs/dbraw/zinc/37/35/10/672373510.db2.gz RBNIZISAUKPLMY-RKDXNWHRSA-N -1 1 367.349 0.259 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@H](CN2CCOCC2)C1 ZINC000870062322 672464731 /nfs/dbraw/zinc/46/47/31/672464731.db2.gz SIKDFPOBHUGLHG-ZDUSSCGKSA-N -1 1 363.443 0.191 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cncc(N3CCCC3)n2)CCC1 ZINC000870445942 672492506 /nfs/dbraw/zinc/49/25/06/672492506.db2.gz AIMVNCFTHPEUHT-UHFFFAOYSA-N -1 1 367.475 0.621 10 0 FCAEMM COC(=O)[C@@H]1C[C@H]1[C@H]1NC(=O)N(CCc2c(F)cc([O-])cc2F)C1=O ZINC000925461925 673792662 /nfs/dbraw/zinc/79/26/62/673792662.db2.gz GIDFFKRPOGAFDH-GIPNMCIBSA-N -1 1 354.309 0.942 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@@H]1CNC(=O)C1 ZINC000926992735 673848109 /nfs/dbraw/zinc/84/81/09/673848109.db2.gz IKNYXTFKPJAIPR-OUAUKWLOSA-N -1 1 364.368 0.754 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCC[C@H]2CNC(=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000926997913 673848343 /nfs/dbraw/zinc/84/83/43/673848343.db2.gz XIJKOPVJDYLYHE-MXWKQRLJSA-N -1 1 364.368 0.611 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000927938813 673892068 /nfs/dbraw/zinc/89/20/68/673892068.db2.gz HYYWIFVTYPHPTG-SMDDNHRTSA-N -1 1 353.394 0.772 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N1CCN(C2CCC(C)CC2)CC1)C(=O)[O-] ZINC000927958598 673894060 /nfs/dbraw/zinc/89/40/60/673894060.db2.gz HMJHFJDMTIQACU-SLTAFYQDSA-N -1 1 353.463 0.936 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CC3CCC2CC3)CC1 ZINC000929042954 673937355 /nfs/dbraw/zinc/93/73/55/673937355.db2.gz GYYWSJIAHFGQKH-GPANFISMSA-N -1 1 352.479 0.909 10 0 FCAEMM C[C@@H](Cn1cccn1)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929400707 673954027 /nfs/dbraw/zinc/95/40/27/673954027.db2.gz FLXRXUMPOLEDKR-JTQLQIEISA-N -1 1 352.341 0.731 10 0 FCAEMM CC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001746144725 1192212722 /nfs/dbraw/zinc/21/27/22/1192212722.db2.gz KWJIVDFQNWWVFU-IUUKEHGRSA-N -1 1 360.414 0.721 10 0 FCAEMM CCNC(=O)COc1ccc(CNC(=O)c2cnncc2[O-])cc1OC ZINC001625853853 1168373913 /nfs/dbraw/zinc/37/39/13/1168373913.db2.gz JXNCWXOUVAEFLR-UHFFFAOYSA-N -1 1 360.370 0.636 10 0 FCAEMM COC(=O)c1cc(OC)ccc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000508373783 1179088131 /nfs/dbraw/zinc/08/81/31/1179088131.db2.gz BPEOMUMGNBKNHS-UHFFFAOYSA-N -1 1 359.338 0.951 10 0 FCAEMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001719722643 1179777053 /nfs/dbraw/zinc/77/70/53/1179777053.db2.gz URKYNBQJQBJLPL-CHWSQXEVSA-N -1 1 364.446 0.184 10 0 FCAEMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001105128049 1183135491 /nfs/dbraw/zinc/13/54/91/1183135491.db2.gz QCRPGNQTAGLWAN-FRRDWIJNSA-N -1 1 361.450 0.622 10 0 FCAEMM CN1CC[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1c1ccccc1 ZINC000759952346 1186352596 /nfs/dbraw/zinc/35/25/96/1186352596.db2.gz HIBSBKBIYSROPQ-ZBFHGGJFSA-N -1 1 352.398 0.633 10 0 FCAEMM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NN2CC(=O)[N-]C2=O)CC1 ZINC000067105580 1187540396 /nfs/dbraw/zinc/54/03/96/1187540396.db2.gz AUOPVZYKHNJMIK-UHFFFAOYSA-N -1 1 373.413 0.533 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1COc2ccccc2[C@@H]1O ZINC001687390500 1188303658 /nfs/dbraw/zinc/30/36/58/1188303658.db2.gz AHBGUOYRXWXWKC-BBRMVZONSA-N -1 1 372.381 0.549 10 0 FCAEMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687390999 1188352244 /nfs/dbraw/zinc/35/22/44/1188352244.db2.gz PBBGQOBNFVYKSB-QWHCGFSZSA-N -1 1 352.391 0.200 10 0 FCAEMM CCCN1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001687391089 1188352260 /nfs/dbraw/zinc/35/22/60/1188352260.db2.gz RRQWRRAFINUGHJ-UHFFFAOYSA-N -1 1 363.418 0.409 10 0 FCAEMM CO[C@@H]1COCC[C@H]1N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687390997 1188352363 /nfs/dbraw/zinc/35/23/63/1188352363.db2.gz PBBGQOBNFVYKSB-CHWSQXEVSA-N -1 1 352.391 0.200 10 0 FCAEMM O=C(CCCCN1C(=O)c2ccccc2C1=O)NC1(c2nn[n-]n2)CC1 ZINC000552490455 1193934313 /nfs/dbraw/zinc/93/43/13/1193934313.db2.gz VDFXLDLCDSHFEZ-UHFFFAOYSA-N -1 1 354.370 0.772 10 0 FCAEMM CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)[N-]C1=NCC(=O)N1C ZINC000898775174 1194075022 /nfs/dbraw/zinc/07/50/22/1194075022.db2.gz QBUGOBKCQKUEGN-UHFFFAOYSA-N -1 1 368.340 0.190 10 0 FCAEMM O=C([O-])c1cn(CC(=O)NC[C@H]2CN3CCN2CCC3)c2ccccc12 ZINC000910688307 1195834056 /nfs/dbraw/zinc/83/40/56/1195834056.db2.gz VJRHPHGKBVTUPB-AWEZNQCLSA-N -1 1 356.426 0.846 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687634 1197111667 /nfs/dbraw/zinc/11/16/67/1197111667.db2.gz QNEFBUNAOPBFEL-GJZGRUSLSA-N -1 1 357.414 0.955 10 0 FCAEMM C[C@@]1(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CCCN1C(=O)c1ccccc1 ZINC000735047830 1197829434 /nfs/dbraw/zinc/82/94/34/1197829434.db2.gz FEYFVXUJVMWNOK-KDOFPFPSSA-N -1 1 370.413 0.795 10 0 FCAEMM CC1(C)C(=O)NC(=O)N1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745044438 1198350677 /nfs/dbraw/zinc/35/06/77/1198350677.db2.gz IAFCDEIJNCIICM-UHFFFAOYSA-N -1 1 360.322 0.872 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)c1cnn(C)n1 ZINC000791793964 1201160565 /nfs/dbraw/zinc/16/05/65/1201160565.db2.gz DDGIPBFZLRZFQQ-UHFFFAOYSA-N -1 1 358.358 0.539 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCN(c2ccccc2F)CC1 ZINC000804721299 1201414423 /nfs/dbraw/zinc/41/44/23/1201414423.db2.gz ZHCAAPAFHZLNJW-UHFFFAOYSA-N -1 1 360.389 0.805 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492436 1202741935 /nfs/dbraw/zinc/74/19/35/1202741935.db2.gz GQHMCJSXZZDOIH-NEPJUHHUSA-N -1 1 361.402 0.916 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492438 1202742158 /nfs/dbraw/zinc/74/21/58/1202742158.db2.gz GQHMCJSXZZDOIH-RYUDHWBXSA-N -1 1 361.402 0.916 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@]4(CCCOC4)C3)ccnc1-2 ZINC000806926934 1202789637 /nfs/dbraw/zinc/78/96/37/1202789637.db2.gz XNONHMLSVBLKLB-GOSISDBHSA-N -1 1 357.414 0.700 10 0 FCAEMM COc1ccc(F)cc1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806984916 1202803678 /nfs/dbraw/zinc/80/36/78/1202803678.db2.gz ADNLBCHEULEQNJ-UHFFFAOYSA-N -1 1 357.345 0.744 10 0 FCAEMM Cc1cc(CCNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc(C)c1O ZINC000807028946 1202807900 /nfs/dbraw/zinc/80/79/00/1202807900.db2.gz CGGQXPIYKYBOPT-UHFFFAOYSA-N -1 1 367.409 0.962 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cn(CC3(C)COC3)nn2)[n-]1 ZINC001133688566 1202992797 /nfs/dbraw/zinc/99/27/97/1202992797.db2.gz QUABKQOOGXQTAD-UHFFFAOYSA-N -1 1 361.358 0.884 10 0 FCAEMM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000816492888 1203069038 /nfs/dbraw/zinc/06/90/38/1203069038.db2.gz ILHQUJPERPFZBQ-UHFFFAOYSA-N -1 1 361.450 0.722 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC001135921911 1203105594 /nfs/dbraw/zinc/10/55/94/1203105594.db2.gz UXKAZHLERGSRFC-CYBMUJFWSA-N -1 1 359.426 0.938 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC001136449363 1203205573 /nfs/dbraw/zinc/20/55/73/1203205573.db2.gz FWNBYYMAPRBQNR-UHFFFAOYSA-N -1 1 374.426 0.236 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000822332500 1203227458 /nfs/dbraw/zinc/22/74/58/1203227458.db2.gz MFWYEEWEKUUMMP-SCLBCKFNSA-N -1 1 372.381 0.618 10 0 FCAEMM Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000846481668 1204631594 /nfs/dbraw/zinc/63/15/94/1204631594.db2.gz LYVSKCFGYKWZEU-OAHLLOKOSA-N -1 1 367.409 0.760 10 0 FCAEMM C[C@H](C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001177865777 1206347374 /nfs/dbraw/zinc/34/73/74/1206347374.db2.gz GDABOEQNKIPOQC-RQJABVFESA-N -1 1 374.445 0.545 10 0 FCAEMM CC(C)(C)OC(=O)NCCOCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177866869 1206347851 /nfs/dbraw/zinc/34/78/51/1206347851.db2.gz RICHWJIIUGQXDA-GFCCVEGCSA-N -1 1 368.438 0.522 10 0 FCAEMM COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)c1cnncc1[O-])C(=O)N2 ZINC001179167550 1206376121 /nfs/dbraw/zinc/37/61/21/1206376121.db2.gz LXIXQEYEWFUPIW-CYBMUJFWSA-N -1 1 356.338 0.652 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(CCN2C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001181275001 1206407132 /nfs/dbraw/zinc/40/71/32/1206407132.db2.gz GVZJWDSYZYTDOA-UHFFFAOYSA-N -1 1 364.402 0.149 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001488367475 1208500953 /nfs/dbraw/zinc/50/09/53/1208500953.db2.gz YLNRINDERWEAAJ-LXTVHRRPSA-N -1 1 359.426 0.939 10 0 FCAEMM CC(C)(CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001489325974 1208765844 /nfs/dbraw/zinc/76/58/44/1208765844.db2.gz MSDYIRLPYUJIFC-MWLCHTKSSA-N -1 1 357.357 0.770 10 0 FCAEMM CCOC(=O)[C@@]1(F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC12CCC2 ZINC000855241387 1209663405 /nfs/dbraw/zinc/66/34/05/1209663405.db2.gz NTYRRZGSGHCLBI-INIZCTEOSA-N -1 1 369.349 0.794 10 0 FCAEMM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000856411181 1209710480 /nfs/dbraw/zinc/71/04/80/1209710480.db2.gz SQBUFSZMITVVNV-CYBMUJFWSA-N -1 1 374.445 0.173 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)ccnc1-2 ZINC000857614718 1209755919 /nfs/dbraw/zinc/75/59/19/1209755919.db2.gz JOHWMGAMOQRYKV-CVEARBPZSA-N -1 1 366.381 0.274 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3Cc4ccccc4CO3)ccnc1-2 ZINC000861940035 1209889297 /nfs/dbraw/zinc/88/92/97/1209889297.db2.gz SGJZQEOCSPUYBK-AWEZNQCLSA-N -1 1 365.393 0.538 10 0 FCAEMM CCN(Cc1c(CO)cnc(C)c1O)C(=O)CNC(=O)c1ncccc1[O-] ZINC001299337829 1210709664 /nfs/dbraw/zinc/70/96/64/1210709664.db2.gz UNZGBVWVBKZBLO-UHFFFAOYSA-N -1 1 374.397 0.467 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927941304 1211593736 /nfs/dbraw/zinc/59/37/36/1211593736.db2.gz PLUGJKQLLZSORE-JKSUJKDBSA-N -1 1 361.442 0.994 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000927943902 1211593973 /nfs/dbraw/zinc/59/39/73/1211593973.db2.gz VLHGMDXKJLGSSY-HZPDHXFCSA-N -1 1 361.442 0.994 10 0 FCAEMM COC[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CCCO1 ZINC000930520151 1211712076 /nfs/dbraw/zinc/71/20/76/1211712076.db2.gz OOGPRAPDYBKRCL-GJZGRUSLSA-N -1 1 372.368 0.639 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000749986267 1219834453 /nfs/dbraw/zinc/83/44/53/1219834453.db2.gz VFGMVNTZCUIXDV-ZBEGNZNMSA-N -1 1 366.422 0.747 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2cnc(N(C)C)nc2)cc1 ZINC000780324924 1220086922 /nfs/dbraw/zinc/08/69/22/1220086922.db2.gz BZWNKRCFULDUHL-UHFFFAOYSA-N -1 1 357.414 0.940 10 0 FCAEMM COc1ccccc1N1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000757063041 1220169564 /nfs/dbraw/zinc/16/95/64/1220169564.db2.gz JIFRWLQWXLFMJD-CYBMUJFWSA-N -1 1 358.398 0.330 10 0 FCAEMM CCN1CC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1=O ZINC001118980941 1221852854 /nfs/dbraw/zinc/85/28/54/1221852854.db2.gz ANHIJKNHAGVDOM-AWEZNQCLSA-N -1 1 355.398 0.420 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCN3CCN(c4ccccn4)CC3)C[C@@H]21 ZINC001119584480 1221936115 /nfs/dbraw/zinc/93/61/15/1221936115.db2.gz BFIYBZLJIJMWRV-RVKKMQEKSA-N -1 1 358.442 0.773 10 0 FCAEMM CON(C)C[C@H](O)Cn1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001137576361 1222397584 /nfs/dbraw/zinc/39/75/84/1222397584.db2.gz QHIPULBFDALDTD-LBPRGKRZSA-N -1 1 362.390 0.363 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001137756370 1222428834 /nfs/dbraw/zinc/42/88/34/1222428834.db2.gz UIGLPEJLJQYCBB-CYBMUJFWSA-N -1 1 363.414 0.561 10 0 FCAEMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cnncc1[O-] ZINC001138084900 1222479296 /nfs/dbraw/zinc/47/92/96/1222479296.db2.gz NTRQTFJPMHYBNP-HNNXBMFYSA-N -1 1 356.382 0.382 10 0 FCAEMM CNC(=O)N[C@@H]1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC001138110335 1222481231 /nfs/dbraw/zinc/48/12/31/1222481231.db2.gz ZNENKFIXXATVMO-CYBMUJFWSA-N -1 1 370.413 0.213 10 0 FCAEMM COc1cc(OC)c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1C=O ZINC001138991305 1222534311 /nfs/dbraw/zinc/53/43/11/1222534311.db2.gz MDOSFBUSMKSCGC-UHFFFAOYSA-N -1 1 361.358 0.153 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)n[n-]1 ZINC001166125991 1223267549 /nfs/dbraw/zinc/26/75/49/1223267549.db2.gz FPKMJOVFCDELAI-VHSXEESVSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)[n-]1 ZINC001166125991 1223267553 /nfs/dbraw/zinc/26/75/53/1223267553.db2.gz FPKMJOVFCDELAI-VHSXEESVSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)n1 ZINC001166125991 1223267555 /nfs/dbraw/zinc/26/75/55/1223267555.db2.gz FPKMJOVFCDELAI-VHSXEESVSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)n[n-]1 ZINC001166125992 1223267668 /nfs/dbraw/zinc/26/76/68/1223267668.db2.gz FPKMJOVFCDELAI-ZJUUUORDSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)[n-]1 ZINC001166125992 1223267672 /nfs/dbraw/zinc/26/76/72/1223267672.db2.gz FPKMJOVFCDELAI-ZJUUUORDSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)n1 ZINC001166125992 1223267676 /nfs/dbraw/zinc/26/76/76/1223267676.db2.gz FPKMJOVFCDELAI-ZJUUUORDSA-N -1 1 362.390 0.630 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)n[n-]1 ZINC001166125615 1223267743 /nfs/dbraw/zinc/26/77/43/1223267743.db2.gz BBCGDDCIWZHTOD-SECBINFHSA-N -1 1 361.358 0.583 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)[n-]1 ZINC001166125615 1223267747 /nfs/dbraw/zinc/26/77/47/1223267747.db2.gz BBCGDDCIWZHTOD-SECBINFHSA-N -1 1 361.358 0.583 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(C(=O)OC)nc2)n1 ZINC001166125615 1223267751 /nfs/dbraw/zinc/26/77/51/1223267751.db2.gz BBCGDDCIWZHTOD-SECBINFHSA-N -1 1 361.358 0.583 10 0 FCAEMM CO[N-]C(=O)CNC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000921839096 1245652904 /nfs/dbraw/zinc/65/29/04/1245652904.db2.gz LKVKRWOIWVRHJW-WBVHZDCISA-N -1 1 362.430 0.950 10 0 FCAEMM CO[C@@H]1COCC[C@H]1N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000921927100 1245656384 /nfs/dbraw/zinc/65/63/84/1245656384.db2.gz HFRUUKNSBQVMBB-HZPDHXFCSA-N -1 1 372.425 0.945 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001515261667 1265485299 /nfs/dbraw/zinc/48/52/99/1265485299.db2.gz BAJIDASMWBUSPW-DYEKYZERSA-N -1 1 362.430 0.669 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001519770202 1265768617 /nfs/dbraw/zinc/76/86/17/1265768617.db2.gz DDIYTTMCJNJFPD-VHSXEESVSA-N -1 1 370.356 0.278 10 0 FCAEMM CSc1ccncc1[N-]C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001519774290 1265770035 /nfs/dbraw/zinc/77/00/35/1265770035.db2.gz AETOJYUUNJVWAS-UHFFFAOYSA-N -1 1 353.429 0.886 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCCF)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001519984165 1265817724 /nfs/dbraw/zinc/81/77/24/1265817724.db2.gz QIPZQTBUCQHTDC-CMPLNLGQSA-N -1 1 364.381 0.277 10 0 FCAEMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001520594142 1265943718 /nfs/dbraw/zinc/94/37/18/1265943718.db2.gz JLBHFBPQDNRCEY-WMLDXEAASA-N -1 1 368.441 0.954 10 0 FCAEMM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001520594495 1265943885 /nfs/dbraw/zinc/94/38/85/1265943885.db2.gz PFTVZOPHOOFTNL-SJORKVTESA-N -1 1 370.457 0.882 10 0 FCAEMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001520744303 1265984858 /nfs/dbraw/zinc/98/48/58/1265984858.db2.gz NCNLYNYZRFUAJF-HNNXBMFYSA-N -1 1 360.332 0.930 10 0 FCAEMM CCC[C@@H](NC(=O)c1cn(CCO)nc1C1CCOCC1)c1nn[n-]n1 ZINC001331298738 1266186195 /nfs/dbraw/zinc/18/61/95/1266186195.db2.gz ARLMDEHZMONEAA-CYBMUJFWSA-N -1 1 363.422 0.554 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001521942495 1266246061 /nfs/dbraw/zinc/24/60/61/1266246061.db2.gz BDFCULYADLNCAR-DGCLKSJQSA-N -1 1 360.414 0.138 10 0 FCAEMM Cc1cccc(C[C@H](CO)NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001235545164 1259576896 /nfs/dbraw/zinc/57/68/96/1259576896.db2.gz NHJRRLIZZJMGOH-CQSZACIVSA-N -1 1 372.425 0.966 10 0 FCAEMM O=C(c1ccnc(N2CCOCC2)n1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001331721030 1266273159 /nfs/dbraw/zinc/27/31/59/1266273159.db2.gz FXPYBCYNWFOTOJ-UHFFFAOYSA-N -1 1 360.374 0.422 10 0 FCAEMM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001521985817 1266277452 /nfs/dbraw/zinc/27/74/52/1266277452.db2.gz CNQLVOFBPPNPTG-VXGBXAGGSA-N -1 1 360.414 0.267 10 0 FCAEMM CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CC2 ZINC001522037680 1266316131 /nfs/dbraw/zinc/31/61/31/1266316131.db2.gz FPGCTPUYMAWAAP-BMLIUANNSA-N -1 1 364.402 0.807 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC001337779611 1260482928 /nfs/dbraw/zinc/48/29/28/1260482928.db2.gz JZBBNEUGANFDTQ-QEEYODRMSA-N -1 1 369.421 0.972 10 0 FCAEMM CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC001338244492 1260596820 /nfs/dbraw/zinc/59/68/20/1260596820.db2.gz WJAFAVBCXKLVMW-UHFFFAOYSA-N -1 1 358.401 0.005 10 0 FCAEMM CS(=O)(=O)Cc1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC001338244492 1260596821 /nfs/dbraw/zinc/59/68/21/1260596821.db2.gz WJAFAVBCXKLVMW-UHFFFAOYSA-N -1 1 358.401 0.005 10 0 FCAEMM COCCCOCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001281632321 1261130008 /nfs/dbraw/zinc/13/00/08/1261130008.db2.gz BPIRJCHBDTWVRM-UONOGXRCSA-N -1 1 363.414 0.513 10 0 FCAEMM Cn1cc(S(=O)(=O)NCC(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC001472041802 1261428070 /nfs/dbraw/zinc/42/80/70/1261428070.db2.gz RSFUXONGAYQANL-UHFFFAOYSA-N -1 1 374.369 0.041 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001472045553 1261429029 /nfs/dbraw/zinc/42/90/29/1261429029.db2.gz OHMWMJBHEDTKGL-JOYOIKCWSA-N -1 1 366.443 0.676 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CS(=O)(=O)NC(C)(C)C)[n-]c1=O ZINC001472259311 1261456070 /nfs/dbraw/zinc/45/60/70/1261456070.db2.gz XPTSRALYPGMSOJ-SNVBAGLBSA-N -1 1 372.447 0.572 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)n1-c1cnccn1 ZINC001472498316 1261471427 /nfs/dbraw/zinc/47/14/27/1261471427.db2.gz NNDQCRSOCBGPBM-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)n1-c1cnccn1 ZINC001472498316 1261471430 /nfs/dbraw/zinc/47/14/30/1261471430.db2.gz NNDQCRSOCBGPBM-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CN2Cc3ccccc3OC2=O)n1 ZINC001472498607 1261472003 /nfs/dbraw/zinc/47/20/03/1261472003.db2.gz OJSLPVOXQJWAON-UHFFFAOYSA-N -1 1 351.344 0.161 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CN2Cc3ccccc3OC2=O)[n-]1 ZINC001472498607 1261472006 /nfs/dbraw/zinc/47/20/06/1261472006.db2.gz OJSLPVOXQJWAON-UHFFFAOYSA-N -1 1 351.344 0.161 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001285779976 1261877251 /nfs/dbraw/zinc/87/72/51/1261877251.db2.gz HPLKDZGWRJGDTE-YAXFVEMYSA-N -1 1 364.402 0.663 10 0 FCAEMM CCO[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001290250687 1262410416 /nfs/dbraw/zinc/41/04/16/1262410416.db2.gz BPEAVCHRWYGXPT-UMVBOHGHSA-N -1 1 365.430 0.663 10 0 FCAEMM O=C(CCc1cn[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001292007223 1262629586 /nfs/dbraw/zinc/62/95/86/1262629586.db2.gz AIAYZDIECLAFCP-AGIUHOORSA-N -1 1 356.386 0.400 10 0 FCAEMM O=C(CCc1c[nH]nn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001292007223 1262629594 /nfs/dbraw/zinc/62/95/94/1262629594.db2.gz AIAYZDIECLAFCP-AGIUHOORSA-N -1 1 356.386 0.400 10 0 FCAEMM O=C(CCNC(=O)c1ccc(F)c([O-])c1)N1CCN(c2ncccn2)CC1 ZINC001292693576 1262699976 /nfs/dbraw/zinc/69/99/76/1262699976.db2.gz FTQQVWLRDQEYKW-UHFFFAOYSA-N -1 1 373.388 0.790 10 0 FCAEMM COC(=O)c1ccn(CCCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC001297781178 1262893385 /nfs/dbraw/zinc/89/33/85/1262893385.db2.gz ZMGOJPYWEHSZNP-UHFFFAOYSA-N -1 1 363.374 0.945 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001299604624 1262970088 /nfs/dbraw/zinc/97/00/88/1262970088.db2.gz JTLUJICVABHUOI-QITLCBANSA-N -1 1 363.414 0.560 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H]1CC(=O)c2ccccc2O1 ZINC001302558883 1263050096 /nfs/dbraw/zinc/05/00/96/1263050096.db2.gz CILUIUKTFUPQDR-LLVKDONJSA-N -1 1 355.350 0.667 10 0 FCAEMM O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302936492 1263065679 /nfs/dbraw/zinc/06/56/79/1263065679.db2.gz ITJNLQFWYBJYNS-CHIMOYNISA-N -1 1 371.319 0.327 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCn1cncn1 ZINC001479057658 1263160415 /nfs/dbraw/zinc/16/04/15/1263160415.db2.gz SPYIOZAAMBPCAR-QWRGUYRKSA-N -1 1 362.356 0.909 10 0 FCAEMM C[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1nnnn1C1CC1 ZINC001479148072 1263171713 /nfs/dbraw/zinc/17/17/13/1263171713.db2.gz NRFSMSAJBPLHMI-QMMMGPOBSA-N -1 1 360.378 0.137 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCc1nc(Cn2cccn2)no1 ZINC001320193898 1263772064 /nfs/dbraw/zinc/77/20/64/1263772064.db2.gz QCDQHIZDAZMGPZ-UHFFFAOYSA-N -1 1 371.401 0.740 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC001322787228 1264265902 /nfs/dbraw/zinc/26/59/02/1264265902.db2.gz FOKROZSWRRYPEC-LBPRGKRZSA-N -1 1 358.402 0.259 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001510761726 1264511078 /nfs/dbraw/zinc/51/10/78/1264511078.db2.gz DIEPPARBIJZWCB-HBNTYKKESA-N -1 1 366.418 0.909 10 0 FCAEMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001332836504 1266489702 /nfs/dbraw/zinc/48/97/02/1266489702.db2.gz GIKILWXXKJJZEF-ZJQBRPOHSA-N -1 1 367.450 0.182 10 0 FCAEMM CN1CCN(C)[C@H](CNC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])C1 ZINC001333318066 1266577961 /nfs/dbraw/zinc/57/79/61/1266577961.db2.gz PJPKQDMDBJCZKY-QAPCUYQASA-N -1 1 366.437 0.757 10 0 FCAEMM CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001333363351 1266586325 /nfs/dbraw/zinc/58/63/25/1266586325.db2.gz CCOQZRUVOYXYBO-KBXCAEBGSA-N -1 1 362.430 0.274 10 0 FCAEMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001522968318 1266596100 /nfs/dbraw/zinc/59/61/00/1266596100.db2.gz OTPUDNCHERXFCP-CHWSQXEVSA-N -1 1 364.446 0.231 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cnc3n2CCOC3)C1)C(F)(F)F ZINC001334419840 1266990884 /nfs/dbraw/zinc/99/08/84/1266990884.db2.gz DCTCUXQUSBYIFH-JTQLQIEISA-N -1 1 360.336 0.944 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)c2nn[nH]n2)C1 ZINC001528748700 1266994155 /nfs/dbraw/zinc/99/41/55/1266994155.db2.gz ABSFJZMJEJFWBY-SUMWQHHRSA-N -1 1 374.401 0.979 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N(C)c2nn[n-]n2)C1 ZINC001528748700 1266994164 /nfs/dbraw/zinc/99/41/64/1266994164.db2.gz ABSFJZMJEJFWBY-SUMWQHHRSA-N -1 1 374.401 0.979 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001334842027 1267197964 /nfs/dbraw/zinc/19/79/64/1267197964.db2.gz VNFAFNAHUOMEGO-JTQLQIEISA-N -1 1 365.367 0.296 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CC3(CCC3)CO2)CC1 ZINC001334961170 1267250249 /nfs/dbraw/zinc/25/02/49/1267250249.db2.gz AGXFQRDVNQJWOK-OAHLLOKOSA-N -1 1 368.478 0.289 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(c4ccccn4)=NO3)nc2n1 ZINC001534154483 1267250793 /nfs/dbraw/zinc/25/07/93/1267250793.db2.gz KYRNGQHDRWXNJP-ZDUSSCGKSA-N -1 1 367.369 0.897 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H](OC)C(=O)OC(C)(C)C)nc2n1 ZINC001534154124 1267250823 /nfs/dbraw/zinc/25/08/23/1267250823.db2.gz HFXBXYVFHDVKDG-NSHDSACASA-N -1 1 365.390 0.665 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)N3CC4CC3(C(=O)[O-])C4)cn2)CC1 ZINC001334962523 1267251538 /nfs/dbraw/zinc/25/15/38/1267251538.db2.gz KUZJVGRKQJPYII-UHFFFAOYSA-N -1 1 359.430 0.592 10 0 FCAEMM COc1ccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)c(OC)n1 ZINC001542423359 1267496475 /nfs/dbraw/zinc/49/64/75/1267496475.db2.gz LOZHXGLAMVIGJX-UHFFFAOYSA-N -1 1 357.326 0.931 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3c(C(F)F)nc4cnccn43)nc2n1 ZINC001544982103 1267600147 /nfs/dbraw/zinc/60/01/47/1267600147.db2.gz JKUBXHZLASKXNX-UHFFFAOYSA-N -1 1 360.284 0.959 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001340136405 1268446530 /nfs/dbraw/zinc/44/65/30/1268446530.db2.gz LSPJGBNZANUHRT-GMTAPVOTSA-N -1 1 366.418 0.909 10 0 FCAEMM CC[C@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001556080878 1268810630 /nfs/dbraw/zinc/81/06/30/1268810630.db2.gz XPFUXWDHUHUBHE-HNNXBMFYSA-N -1 1 358.416 0.513 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001556567458 1268867650 /nfs/dbraw/zinc/86/76/50/1268867650.db2.gz XJCWHIJLBJCLRP-NXEZZACHSA-N -1 1 361.320 0.536 10 0 FCAEMM COC(=O)N1CCN(c2ccc(NC(=O)c3cnncc3[O-])cn2)CC1 ZINC001556729476 1268888277 /nfs/dbraw/zinc/88/82/77/1268888277.db2.gz MWOAAIJGQITUKZ-UHFFFAOYSA-N -1 1 358.358 0.718 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001557251500 1268937662 /nfs/dbraw/zinc/93/76/62/1268937662.db2.gz FZBWDYFGGPYXBC-CIUDSAMLSA-N -1 1 364.324 0.033 10 0 FCAEMM C[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001557247663 1268937710 /nfs/dbraw/zinc/93/77/10/1268937710.db2.gz BYIVZEKIDFKGCJ-RWMBFGLXSA-N -1 1 350.419 0.131 10 0 FCAEMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001557458697 1268949056 /nfs/dbraw/zinc/94/90/56/1268949056.db2.gz ZRYCRMDFPZUGAM-LLVKDONJSA-N -1 1 354.366 0.886 10 0 FCAEMM CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)c1nn[n-]n1 ZINC001557696173 1268966885 /nfs/dbraw/zinc/96/68/85/1268966885.db2.gz HSGNKWCAYUGCQG-UHFFFAOYSA-N -1 1 353.136 0.570 10 0 FCAEMM NS(=O)(=O)N1CCC(NC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001557715470 1268971374 /nfs/dbraw/zinc/97/13/74/1268971374.db2.gz PWRNOWCFYXMGDR-UHFFFAOYSA-N -1 1 350.400 0.338 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001558026865 1269005843 /nfs/dbraw/zinc/00/58/43/1269005843.db2.gz YAFBCEMOMAGMIU-ISTVAULSSA-N -1 1 365.352 0.469 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCC(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001558173386 1269044846 /nfs/dbraw/zinc/04/48/46/1269044846.db2.gz MHNWXXYVXFQMOP-UHFFFAOYSA-N -1 1 364.431 0.372 10 0 FCAEMM COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nn[n-]n1 ZINC001558340045 1269068849 /nfs/dbraw/zinc/06/88/49/1269068849.db2.gz TXXBOASQRDCIKS-LDYMZIIASA-N -1 1 366.328 0.335 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001341708220 1269162744 /nfs/dbraw/zinc/16/27/44/1269162744.db2.gz OQEWBISCTOZBTN-WBUAIXLUSA-N -1 1 366.364 0.869 10 0 FCAEMM NC(=O)CCC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001565247461 1269459603 /nfs/dbraw/zinc/45/96/03/1269459603.db2.gz GIVJOFYHXYHXBX-UHFFFAOYSA-N -1 1 363.418 0.442 10 0 FCAEMM CN(C)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])c(C(N)=O)c1 ZINC001566494013 1269649625 /nfs/dbraw/zinc/64/96/25/1269649625.db2.gz HGHPUNHKONUJEP-UHFFFAOYSA-N -1 1 357.370 0.321 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C(=O)Nc2c(F)cccc2F)c1 ZINC001566777817 1269663473 /nfs/dbraw/zinc/66/34/73/1269663473.db2.gz OTKDAUOHWVPUQD-UHFFFAOYSA-N -1 1 371.321 0.895 10 0 FCAEMM O=C(CN1CCOC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001567229703 1269680741 /nfs/dbraw/zinc/68/07/41/1269680741.db2.gz MALPXQCTGSMJGN-UHFFFAOYSA-N -1 1 369.399 0.567 10 0 FCAEMM COC/C=C\C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001567230010 1269681214 /nfs/dbraw/zinc/68/12/14/1269681214.db2.gz QRGBDYPPDVMEEG-IHWYPQMZSA-N -1 1 356.400 0.554 10 0 FCAEMM CCNC(=O)OC[C@@H]1CCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001568926172 1269755598 /nfs/dbraw/zinc/75/55/98/1269755598.db2.gz WUFSCLMXYKDFQS-LBPRGKRZSA-N -1 1 364.402 0.644 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001569405760 1269780844 /nfs/dbraw/zinc/78/08/44/1269780844.db2.gz PAHZXPCSEOCOIW-UHFFFAOYSA-N -1 1 353.444 0.905 10 0 FCAEMM CC(=O)c1ccc(N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)c(F)c1 ZINC001343515143 1269932507 /nfs/dbraw/zinc/93/25/07/1269932507.db2.gz GWHAQJLJRRPHPR-UHFFFAOYSA-N -1 1 371.380 0.664 10 0 FCAEMM CC(=O)c1ccc(N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)c(F)c1 ZINC001343515143 1269932512 /nfs/dbraw/zinc/93/25/12/1269932512.db2.gz GWHAQJLJRRPHPR-UHFFFAOYSA-N -1 1 371.380 0.664 10 0 FCAEMM CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001344015427 1270077650 /nfs/dbraw/zinc/07/76/50/1270077650.db2.gz WGTVCVAWLIOTER-ZIAGYGMSSA-N -1 1 362.430 0.437 10 0 FCAEMM Cc1ccc(CC(=O)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)cc1 ZINC001344322820 1270147126 /nfs/dbraw/zinc/14/71/26/1270147126.db2.gz ZAXPNPUUVIWRDN-UHFFFAOYSA-N -1 1 367.417 0.195 10 0 FCAEMM Cc1ccc(CC(=O)N2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)cc1 ZINC001344322820 1270147129 /nfs/dbraw/zinc/14/71/29/1270147129.db2.gz ZAXPNPUUVIWRDN-UHFFFAOYSA-N -1 1 367.417 0.195 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)/C=C/c1ccc[nH]1 ZINC001572946050 1270382247 /nfs/dbraw/zinc/38/22/47/1270382247.db2.gz KOOSTTWPJWFCQD-ZNTRNPIHSA-N -1 1 356.382 0.784 10 0 FCAEMM CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001573156640 1270618756 /nfs/dbraw/zinc/61/87/56/1270618756.db2.gz BEQQXMDSNIIMFW-QWHCGFSZSA-N -1 1 350.419 0.128 10 0 FCAEMM CCC(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001574399308 1271265840 /nfs/dbraw/zinc/26/58/40/1271265840.db2.gz CCCKOYTUIFRLPM-BZPMIXESSA-N -1 1 372.429 0.716 10 0 FCAEMM COC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001574641663 1271439464 /nfs/dbraw/zinc/43/94/64/1271439464.db2.gz TXZLZUCJMVJVIF-GTNSWQLSSA-N -1 1 362.386 0.254 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001582457434 1281574500 /nfs/dbraw/zinc/57/45/00/1281574500.db2.gz GXVDGHMATMUPSV-OUAUKWLOSA-N -1 1 364.402 0.567 10 0 FCAEMM O=C(c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001583359395 1282082447 /nfs/dbraw/zinc/08/24/47/1282082447.db2.gz IUZKRPBMEKXPRF-ZDUSSCGKSA-N -1 1 373.413 0.061 10 0 FCAEMM O=C(C[C@@H]1CCNC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001632232573 1282164505 /nfs/dbraw/zinc/16/45/05/1282164505.db2.gz LDPSJKPRZWFITN-NSHDSACASA-N -1 1 367.427 0.641 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CN2C(=O)N[C@](C)(CC)C2=O)[n-]c1Cl ZINC001584871413 1282179891 /nfs/dbraw/zinc/17/98/91/1282179891.db2.gz HMNOZRXAQCJDRZ-CQSZACIVSA-N -1 1 371.781 0.899 10 0 FCAEMM O=C(NC[C@]1(OCCO)CCOC1)c1c([O-])cnc2c(F)cccc21 ZINC001632513639 1282182369 /nfs/dbraw/zinc/18/23/69/1282182369.db2.gz HGITWYRVSOGCNS-QGZVFWFLSA-N -1 1 350.346 0.977 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c3c(nn2C)CCSC3)n[n-]1 ZINC001632567236 1282186472 /nfs/dbraw/zinc/18/64/72/1282186472.db2.gz GIWMRYBMCMOIGT-QMMMGPOBSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c3c(nn2C)CCSC3)[n-]1 ZINC001632567236 1282186474 /nfs/dbraw/zinc/18/64/74/1282186474.db2.gz GIWMRYBMCMOIGT-QMMMGPOBSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c3c(nn2C)CCSC3)n1 ZINC001632567236 1282186475 /nfs/dbraw/zinc/18/64/75/1282186475.db2.gz GIWMRYBMCMOIGT-QMMMGPOBSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c3c(nn2C)CCSC3)n[n-]1 ZINC001632567235 1282186482 /nfs/dbraw/zinc/18/64/82/1282186482.db2.gz GIWMRYBMCMOIGT-MRVPVSSYSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c3c(nn2C)CCSC3)[n-]1 ZINC001632567235 1282186484 /nfs/dbraw/zinc/18/64/84/1282186484.db2.gz GIWMRYBMCMOIGT-MRVPVSSYSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c3c(nn2C)CCSC3)n1 ZINC001632567235 1282186485 /nfs/dbraw/zinc/18/64/85/1282186485.db2.gz GIWMRYBMCMOIGT-MRVPVSSYSA-N -1 1 364.431 0.995 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@H]2CCOC[C@H]2OCC)n[n-]1 ZINC001632567074 1282186524 /nfs/dbraw/zinc/18/65/24/1282186524.db2.gz BAAINOMCSLIBQX-QJPTWQEYSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@H]2CCOC[C@H]2OCC)[n-]1 ZINC001632567074 1282186528 /nfs/dbraw/zinc/18/65/28/1282186528.db2.gz BAAINOMCSLIBQX-QJPTWQEYSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@H]2CCOC[C@H]2OCC)n1 ZINC001632567074 1282186529 /nfs/dbraw/zinc/18/65/29/1282186529.db2.gz BAAINOMCSLIBQX-QJPTWQEYSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)n[n-]1 ZINC001632563170 1282187637 /nfs/dbraw/zinc/18/76/37/1282187637.db2.gz UFAHRLJWECBXDW-SECBINFHSA-N -1 1 358.358 0.914 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)[n-]1 ZINC001632563170 1282187639 /nfs/dbraw/zinc/18/76/39/1282187639.db2.gz UFAHRLJWECBXDW-SECBINFHSA-N -1 1 358.358 0.914 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cn2c3ccccc3[nH]c2=O)n1 ZINC001632563170 1282187644 /nfs/dbraw/zinc/18/76/44/1282187644.db2.gz UFAHRLJWECBXDW-SECBINFHSA-N -1 1 358.358 0.914 10 0 FCAEMM Cc1nnc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])o1 ZINC001632596335 1282189715 /nfs/dbraw/zinc/18/97/15/1282189715.db2.gz ZUSQMLXRZGLUOU-UHFFFAOYSA-N -1 1 352.372 0.706 10 0 FCAEMM C[C@@]1(c2ccc(C(=O)N3CCC(c4nn[n-]n4)CC3)cc2)NC(=O)NC1=O ZINC001632649987 1282195217 /nfs/dbraw/zinc/19/52/17/1282195217.db2.gz FOOGJSZXHHZDNN-KRWDZBQOSA-N -1 1 369.385 0.274 10 0 FCAEMM COc1ccc([C@@]2(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)C[C@@H](O)C2)cc1 ZINC001632775406 1282205975 /nfs/dbraw/zinc/20/59/75/1282205975.db2.gz LASCHTHGBPNJCT-SUYBPPKGSA-N -1 1 359.386 0.201 10 0 FCAEMM COCCn1cc(CNC(=O)c2cc(Cl)ccc2[O-])c(=O)[nH]c1=O ZINC001633002654 1282222806 /nfs/dbraw/zinc/22/28/06/1282222806.db2.gz JPDDTHBEGAEZBW-UHFFFAOYSA-N -1 1 353.762 0.884 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC001633185999 1282233771 /nfs/dbraw/zinc/23/37/71/1282233771.db2.gz KVPJBWLEZZSRQZ-UHFFFAOYSA-N -1 1 370.344 0.758 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001633521795 1282250744 /nfs/dbraw/zinc/25/07/44/1282250744.db2.gz YYUSJAMSVYQIGP-UHFFFAOYSA-N -1 1 366.447 0.465 10 0 FCAEMM C[C@]1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCCS1(=O)=O ZINC001586308538 1282292345 /nfs/dbraw/zinc/29/23/45/1282292345.db2.gz CCOPTJLKSXWSRL-CQSZACIVSA-N -1 1 351.388 0.685 10 0 FCAEMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnncc1[O-] ZINC001634473524 1282333213 /nfs/dbraw/zinc/33/32/13/1282333213.db2.gz NEQMWXNPTWPZQS-SNVBAGLBSA-N -1 1 351.388 0.607 10 0 FCAEMM COC[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1nn[n-]n1 ZINC001634622535 1282340497 /nfs/dbraw/zinc/34/04/97/1282340497.db2.gz UTAXVYLGMUAOLS-ZETCQYMHSA-N -1 1 357.168 0.109 10 0 FCAEMM CCC[C@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001587597624 1282366987 /nfs/dbraw/zinc/36/69/87/1282366987.db2.gz JXCHOGOYSWKFGB-MEDUHNTESA-N -1 1 368.438 0.919 10 0 FCAEMM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001635285498 1282392359 /nfs/dbraw/zinc/39/23/59/1282392359.db2.gz BFNJYZKWOSRFGT-ZDUSSCGKSA-N -1 1 368.459 0.893 10 0 FCAEMM O=C(Cn1ncc(=O)c2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588027010 1282397824 /nfs/dbraw/zinc/39/78/24/1282397824.db2.gz BAPASELFHVIGRA-UHFFFAOYSA-N -1 1 367.365 0.281 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC001635355798 1282397882 /nfs/dbraw/zinc/39/78/82/1282397882.db2.gz AOMAMIBQQFGTNI-UHFFFAOYSA-N -1 1 373.394 0.582 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC3(CO2)CCOCC3)co1 ZINC001635877452 1282440143 /nfs/dbraw/zinc/44/01/43/1282440143.db2.gz BUYPZBYOHYYLJN-LBPRGKRZSA-N -1 1 358.416 0.503 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CCc3nn[n-]n3)C2)c1 ZINC001636217173 1282472146 /nfs/dbraw/zinc/47/21/46/1282472146.db2.gz XJECIRZJGWASGD-LBPRGKRZSA-N -1 1 360.418 0.792 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OC)o1 ZINC001637818685 1282627787 /nfs/dbraw/zinc/62/77/87/1282627787.db2.gz NCAGEWQVEOGVIF-NXEZZACHSA-N -1 1 360.388 0.028 10 0 FCAEMM C/C=C/[C@@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001637873950 1282631913 /nfs/dbraw/zinc/63/19/13/1282631913.db2.gz PLXOVYCTNIQZNF-BAABZTOOSA-N -1 1 356.400 0.289 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCCN(C)C1=O ZINC001637891482 1282634967 /nfs/dbraw/zinc/63/49/67/1282634967.db2.gz XIWFARJMZDOFLE-ZDUSSCGKSA-N -1 1 363.418 0.407 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CCc2nn[n-]n2)CCCO1 ZINC001638648681 1282713012 /nfs/dbraw/zinc/71/30/12/1282713012.db2.gz RYRBIDDDXCWOPM-NSHDSACASA-N -1 1 354.411 0.275 10 0 FCAEMM CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CCCc1nn[n-]n1 ZINC001640659395 1282885936 /nfs/dbraw/zinc/88/59/36/1282885936.db2.gz MRZDTMVREOFVSD-UHFFFAOYSA-N -1 1 370.454 0.864 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001641602196 1282965002 /nfs/dbraw/zinc/96/50/02/1282965002.db2.gz RDUYQNMPHNSMGT-KXPUMZMLSA-N -1 1 363.381 0.873 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)o1 ZINC001641891993 1282979972 /nfs/dbraw/zinc/97/99/72/1282979972.db2.gz ZKWVGBATWSNWFA-SMDDNHRTSA-N -1 1 360.432 0.220 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCOC12CCOCC2 ZINC001683594739 1284052469 /nfs/dbraw/zinc/05/24/69/1284052469.db2.gz PHCRDTOPOBJKTC-ZDUSSCGKSA-N -1 1 364.402 0.392 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCOC12CCOCC2 ZINC001683594738 1284052582 /nfs/dbraw/zinc/05/25/82/1284052582.db2.gz PHCRDTOPOBJKTC-CYBMUJFWSA-N -1 1 364.402 0.392 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC(Cn2cnnc2)CC1 ZINC001683594962 1284053752 /nfs/dbraw/zinc/05/37/52/1284053752.db2.gz RTOPOVOUSFJSAF-UHFFFAOYSA-N -1 1 373.417 0.468 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCCC[C@H]1NC(=O)CC1CC1 ZINC001702432353 1285673695 /nfs/dbraw/zinc/67/36/95/1285673695.db2.gz SYCJMADPCDOPLD-ZIAGYGMSSA-N -1 1 362.430 0.270 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC(C)C)C1 ZINC001702543819 1285714767 /nfs/dbraw/zinc/71/47/67/1285714767.db2.gz LBRQIXFPAMBLOJ-WDEREUQCSA-N -1 1 366.418 0.957 10 0 FCAEMM C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702835348 1285927882 /nfs/dbraw/zinc/92/78/82/1285927882.db2.gz JJKPTGNELAURBU-JHJVBQTASA-N -1 1 360.414 0.138 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001702837157 1285930088 /nfs/dbraw/zinc/93/00/88/1285930088.db2.gz BYTWHGCFPFRJFO-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM CC(C)=CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702958598 1286021914 /nfs/dbraw/zinc/02/19/14/1286021914.db2.gz YLLPYAPJCSJYDH-MCIONIFRSA-N -1 1 360.414 0.141 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001703032676 1286064209 /nfs/dbraw/zinc/06/42/09/1286064209.db2.gz TVPGRMMTWADANO-YNKQFZHNSA-N -1 1 360.414 0.423 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001593758339 1286213527 /nfs/dbraw/zinc/21/35/27/1286213527.db2.gz CLNZXXFWKNVLBL-XJKSGUPXSA-N -1 1 357.418 0.799 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1cc(Br)ccc1=O ZINC001593758769 1286214166 /nfs/dbraw/zinc/21/41/66/1286214166.db2.gz IXUWHPRAIGETGX-UHFFFAOYSA-N -1 1 369.223 0.809 10 0 FCAEMM CCOC(=O)N[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])CC(C)C ZINC001595581928 1286254795 /nfs/dbraw/zinc/25/47/95/1286254795.db2.gz MKPQRTMOPQGHBD-GFCCVEGCSA-N -1 1 366.418 0.794 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3CCC(S(C)(=O)=O)CC3)nc2n1 ZINC001596088177 1286284834 /nfs/dbraw/zinc/28/48/34/1286284834.db2.gz PWQIGCFHMKNEBP-UHFFFAOYSA-N -1 1 353.404 0.268 10 0 FCAEMM O=C(CCN1CCOCC1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597371295 1286341197 /nfs/dbraw/zinc/34/11/97/1286341197.db2.gz XDWFOKPBURPUQM-UHFFFAOYSA-N -1 1 369.443 0.494 10 0 FCAEMM CC1(CNC(=O)CNC(=O)c2ncccc2[O-])CCC2(CC1)OCCO2 ZINC001602839361 1287131074 /nfs/dbraw/zinc/13/10/74/1287131074.db2.gz PCLZNPCFHGJCCL-UHFFFAOYSA-N -1 1 363.414 0.957 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001719555604 1288179294 /nfs/dbraw/zinc/17/92/94/1288179294.db2.gz XCCBWGVJAJEELV-KXUCPTDWSA-N -1 1 370.381 0.754 10 0 FCAEMM CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C(=O)C1CC1 ZINC001719902292 1288200534 /nfs/dbraw/zinc/20/05/34/1288200534.db2.gz CKXKHEFFNYRJTE-MCIONIFRSA-N -1 1 372.425 0.517 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001722146666 1288408730 /nfs/dbraw/zinc/40/87/30/1288408730.db2.gz ZREZEZGKJOEFKK-TZMCWYRMSA-N -1 1 362.430 0.032 10 0 FCAEMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001724683039 1288448780 /nfs/dbraw/zinc/44/87/80/1288448780.db2.gz MVWXPRYGILWCKH-LSDHHAIUSA-N -1 1 359.430 0.533 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001607016673 1288590746 /nfs/dbraw/zinc/59/07/46/1288590746.db2.gz YGCMXGNBUUUWLD-QFIPXVFZSA-N -1 1 366.436 0.765 10 0 FCAEMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001733042676 1288599847 /nfs/dbraw/zinc/59/98/47/1288599847.db2.gz KFEGOISCYGJJNU-KWCYVHTRSA-N -1 1 351.451 0.108 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001733831814 1288634579 /nfs/dbraw/zinc/63/45/79/1288634579.db2.gz SMDNIWUNJQQATN-NEPJUHHUSA-N -1 1 353.423 0.080 10 0 FCAEMM CCCC[C@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001734849507 1288689832 /nfs/dbraw/zinc/68/98/32/1288689832.db2.gz ZTWCDWSKSZJWLD-ZENOOKHLSA-N -1 1 365.430 0.996 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C(C)(C)NC(C)=O)CCN1C(=O)c1ncccc1[O-] ZINC001736202719 1289198276 /nfs/dbraw/zinc/19/82/76/1289198276.db2.gz WQGCLFWVLCDHRV-QWHCGFSZSA-N -1 1 362.430 0.811 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)N(CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001737307623 1289526352 /nfs/dbraw/zinc/52/63/52/1289526352.db2.gz ASXAGLGOJOFQFP-LRDDRELGSA-N -1 1 363.414 0.702 10 0 FCAEMM COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nn[n-]n2)cc1 ZINC001611390940 1289646204 /nfs/dbraw/zinc/64/62/04/1289646204.db2.gz XAIUOVOPXLXRHR-LBPRGKRZSA-N -1 1 362.415 0.681 10 0 FCAEMM C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001738575591 1289704754 /nfs/dbraw/zinc/70/47/54/1289704754.db2.gz JGAGBBVFGXNSGI-GMTAPVOTSA-N -1 1 360.418 0.334 10 0 FCAEMM C[C@@H]1Nc2ccnn2[C@@H](C)[C@@H]1CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703689 1289858544 /nfs/dbraw/zinc/85/85/44/1289858544.db2.gz UNRQADYLKVONLP-RWMBFGLXSA-N -1 1 374.449 0.678 10 0 FCAEMM CCC[C@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1nn[n-]n1 ZINC001621660946 1290049100 /nfs/dbraw/zinc/04/91/00/1290049100.db2.gz KKMYYFNMDDPKLS-QMMMGPOBSA-N -1 1 358.811 0.923 10 0 FCAEMM C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001739502699 1290076014 /nfs/dbraw/zinc/07/60/14/1290076014.db2.gz LHILHEQPWVQDDU-VXGBXAGGSA-N -1 1 363.418 0.203 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001623361606 1290215362 /nfs/dbraw/zinc/21/53/62/1290215362.db2.gz XHEGRAHXFCUAIZ-LLVKDONJSA-N -1 1 368.349 0.319 10 0 FCAEMM CCCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001739617668 1290245749 /nfs/dbraw/zinc/24/57/49/1290245749.db2.gz LJJPMCMHCDYYKN-SCRDCRAPSA-N -1 1 351.403 0.294 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001625309430 1290333207 /nfs/dbraw/zinc/33/32/07/1290333207.db2.gz IUDNDRAAWYVUDC-UHFFFAOYSA-N -1 1 370.365 0.086 10 0 FCAEMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1(C(F)(F)F)CC1 ZINC001739690370 1290368433 /nfs/dbraw/zinc/36/84/33/1290368433.db2.gz TYTAELVXFODQKD-SCZZXKLOSA-N -1 1 359.304 0.431 10 0 FCAEMM O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046483 1290370937 /nfs/dbraw/zinc/37/09/37/1290370937.db2.gz AWQUQTCMKSUNBO-AWEZNQCLSA-N -1 1 370.413 0.058 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CC[C@H](CNC(=O)C2CCC2)C1 ZINC001739847881 1290409492 /nfs/dbraw/zinc/40/94/92/1290409492.db2.gz IVAZPIMJHZMWKI-GXTWGEPZSA-N -1 1 362.430 0.128 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC2(C1)CNC(=O)O2 ZINC001626944886 1290428846 /nfs/dbraw/zinc/42/88/46/1290428846.db2.gz RYISCNTYWSORRW-UHFFFAOYSA-N -1 1 355.354 0.416 10 0 FCAEMM CCOCCC(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001740087935 1290487156 /nfs/dbraw/zinc/48/71/56/1290487156.db2.gz KNMZTOCPVGWYGN-ZJUUUORDSA-N -1 1 368.390 0.042 10 0 FCAEMM CCn1ncn(NC(=O)c2cc(I)ccc2[O-])c1=O ZINC001628812111 1290556274 /nfs/dbraw/zinc/55/62/74/1290556274.db2.gz VLEDGUKUFOIOBJ-UHFFFAOYSA-N -1 1 374.138 0.759 10 0 FCAEMM C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001630326479 1290660140 /nfs/dbraw/zinc/66/01/40/1290660140.db2.gz ZYWUJRQZRXDHPP-NSHDSACASA-N -1 1 366.418 0.889 10 0 FCAEMM O=C(NC1(C(=O)NCc2nc([O-])cc(=O)[nH]2)CC1)OCc1ccccc1 ZINC001630647408 1290686672 /nfs/dbraw/zinc/68/66/72/1290686672.db2.gz WYIQIRYTHBEHGG-UHFFFAOYSA-N -1 1 358.354 0.963 10 0 FCAEMM COC1(OC)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@H]1O ZINC001630771248 1290699844 /nfs/dbraw/zinc/69/98/44/1290699844.db2.gz JRPJHZUXCLSCOL-GFCCVEGCSA-N -1 1 371.459 0.727 10 0 FCAEMM C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428136 1290729781 /nfs/dbraw/zinc/72/97/81/1290729781.db2.gz HQNZRMHWTJZQFC-MADCSZMMSA-N -1 1 355.372 0.268 10 0 FCAEMM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428133 1290730162 /nfs/dbraw/zinc/73/01/62/1290730162.db2.gz HQNZRMHWTJZQFC-JMCQJSRRSA-N -1 1 355.372 0.268 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)C1 ZINC001643391001 1290883011 /nfs/dbraw/zinc/88/30/11/1290883011.db2.gz JXOCIDAPVNFJSZ-MEDUHNTESA-N -1 1 366.422 0.278 10 0 FCAEMM O=C(CNC(=O)c1ccc(Br)o1)NC1(c2nn[n-]n2)CCC1 ZINC001643871051 1290921691 /nfs/dbraw/zinc/92/16/91/1290921691.db2.gz DBXMWWGKBKIJBR-UHFFFAOYSA-N -1 1 369.179 0.481 10 0 FCAEMM O=C(CCCN1C(=O)c2ccccc2C1=O)NC1(c2nn[n-]n2)CCC1 ZINC001643872123 1290922292 /nfs/dbraw/zinc/92/22/92/1290922292.db2.gz VXDWUSYHHILOMF-UHFFFAOYSA-N -1 1 354.370 0.772 10 0 FCAEMM COc1nsc(OC)c1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644161059 1290944895 /nfs/dbraw/zinc/94/48/95/1290944895.db2.gz WSHYCOPWRRLNMI-UHFFFAOYSA-N -1 1 352.372 0.659 10 0 FCAEMM CCOC(=O)C1([C@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCOCC1 ZINC001648074428 1291100201 /nfs/dbraw/zinc/10/02/01/1291100201.db2.gz KSGCLFGPNVGDEK-VIFPVBQESA-N -1 1 369.374 0.375 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C2=CS(=O)(=O)CCC2)[n-]c1=O ZINC001648405758 1291119931 /nfs/dbraw/zinc/11/99/31/1291119931.db2.gz MAGAJWUFKMAFEJ-LLVKDONJSA-N -1 1 353.400 0.947 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1sccc1-n1ccnn1 ZINC001650749647 1291178008 /nfs/dbraw/zinc/17/80/08/1291178008.db2.gz ZSWVKQOKOWFSOD-UHFFFAOYSA-N -1 1 358.383 0.827 10 0 FCAEMM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857920 1291181705 /nfs/dbraw/zinc/18/17/05/1291181705.db2.gz LUELQEQTQVMIBI-UZWSLXQKSA-N -1 1 365.463 0.241 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690741 1291233804 /nfs/dbraw/zinc/23/38/04/1291233804.db2.gz AWKBYPWFLLAZKP-SECBINFHSA-N -1 1 362.342 0.921 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690741 1291233808 /nfs/dbraw/zinc/23/38/08/1291233808.db2.gz AWKBYPWFLLAZKP-SECBINFHSA-N -1 1 362.342 0.921 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690741 1291233812 /nfs/dbraw/zinc/23/38/12/1291233812.db2.gz AWKBYPWFLLAZKP-SECBINFHSA-N -1 1 362.342 0.921 10 0 FCAEMM COC[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC001651846535 1291242614 /nfs/dbraw/zinc/24/26/14/1291242614.db2.gz GCPMITFZJCUZAB-MWLCHTKSSA-N -1 1 368.191 0.770 10 0 FCAEMM CCCN(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1 ZINC001652762979 1291297874 /nfs/dbraw/zinc/29/78/74/1291297874.db2.gz KLLILSUCOYMCCJ-UHFFFAOYSA-N -1 1 367.435 0.291 10 0 FCAEMM NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3c(c(=O)[n-]1)COCC3)CC2 ZINC001652851120 1291305289 /nfs/dbraw/zinc/30/52/89/1291305289.db2.gz WQYSWQXSPKQMIQ-UHFFFAOYSA-N -1 1 362.411 0.465 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]c1=O ZINC001653331938 1291336676 /nfs/dbraw/zinc/33/66/76/1291336676.db2.gz AXHQOYKPEMIMAL-PWSUYJOCSA-N -1 1 372.385 0.631 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001653383119 1291339932 /nfs/dbraw/zinc/33/99/32/1291339932.db2.gz CSRNGEORYSWPHC-HAQNSBGRSA-N -1 1 366.418 0.346 10 0 FCAEMM Cn1[n-]c(CN[C@H](CNC(=O)[C@]23C[C@H]2COC3)c2ccccc2)nc1=O ZINC001664578632 1291803499 /nfs/dbraw/zinc/80/34/99/1291803499.db2.gz QGVOSYODENKOGZ-IYOUNJFTSA-N -1 1 357.414 0.092 10 0 FCAEMM COC[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@@H](C)O1 ZINC001675456654 1292177462 /nfs/dbraw/zinc/17/74/62/1292177462.db2.gz MWLPGVQEZPNOBB-MNOVXSKESA-N -1 1 352.391 0.200 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)c1ccc(F)cc1 ZINC001675456733 1292177469 /nfs/dbraw/zinc/17/74/69/1292177469.db2.gz OVBQSOJAEBONTI-AWEZNQCLSA-N -1 1 362.361 0.927 10 0 FCAEMM COCCO[C@@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456574 1292177777 /nfs/dbraw/zinc/17/77/77/1292177777.db2.gz KYEOIGNRBMOEQH-GFCCVEGCSA-N -1 1 366.418 0.592 10 0 FCAEMM CC(C)(CNS(C)(=O)=O)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001676325702 1292199985 /nfs/dbraw/zinc/19/99/85/1292199985.db2.gz JZWTYLCNIIQHEY-UHFFFAOYSA-N -1 1 365.402 0.840 10 0 FCAEMM O=C([N-]CC1CN(C(=O)N[C@H]2CCC3(C2)OCCO3)C1)C(F)(F)F ZINC001679546353 1292307456 /nfs/dbraw/zinc/30/74/56/1292307456.db2.gz DJRPVSUAXJDRNS-JTQLQIEISA-N -1 1 351.325 0.602 10 0 FCAEMM CCOC(OCC)[C@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684870113 1292347509 /nfs/dbraw/zinc/34/75/09/1292347509.db2.gz WILAHQNGOQEMIM-JTQLQIEISA-N -1 1 354.407 0.842 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C(=O)[C@@H]1CC1(C)C ZINC001685310360 1292494029 /nfs/dbraw/zinc/49/40/29/1292494029.db2.gz GDQUOPBTTPOGTA-AGIUHOORSA-N -1 1 362.430 0.078 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001685749591 1292618831 /nfs/dbraw/zinc/61/88/31/1292618831.db2.gz ALDXSPOPNYVJBU-PSTGCABASA-N -1 1 351.378 0.740 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)cc1 ZINC000747618565 836252463 /nfs/dbraw/zinc/25/24/63/836252463.db2.gz XUAKQYDJLSIBQP-UHFFFAOYSA-N -1 1 352.372 0.886 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000750240487 836412765 /nfs/dbraw/zinc/41/27/65/836412765.db2.gz XNDXQKCJIUVUHI-AWEZNQCLSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000750240487 836412769 /nfs/dbraw/zinc/41/27/69/836412769.db2.gz XNDXQKCJIUVUHI-AWEZNQCLSA-N -1 1 373.435 0.794 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1 ZINC001118442797 847424227 /nfs/dbraw/zinc/42/42/27/847424227.db2.gz GWKNNTWKOCAQIM-AWEZNQCLSA-N -1 1 367.370 0.420 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(-c3nnn[n-]3)n1C[C@H]1CCOC1)C2 ZINC001123122794 848570662 /nfs/dbraw/zinc/57/06/62/848570662.db2.gz MFZRBEPYELIQHH-RNCFNFMXSA-N -1 1 352.349 0.730 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(-c3nn[n-]n3)n1C[C@H]1CCOC1)C2 ZINC001123122794 848570672 /nfs/dbraw/zinc/57/06/72/848570672.db2.gz MFZRBEPYELIQHH-RNCFNFMXSA-N -1 1 352.349 0.730 10 0 FCAEMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC3(CCOCC3)CC[C@H]2CO)C1 ZINC001123298324 848584082 /nfs/dbraw/zinc/58/40/82/848584082.db2.gz UUKHBGVZARGPAP-CABCVRRESA-N -1 1 354.447 0.563 10 0 FCAEMM COC[C@@]1(C(=O)N(C)c2nn[n-]n2)CCCCN1C(=O)OC(C)(C)C ZINC001130972285 849066623 /nfs/dbraw/zinc/06/66/23/849066623.db2.gz UMSBQRHPBFTIOK-OAHLLOKOSA-N -1 1 354.411 0.969 10 0 FCAEMM CCO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001137774662 849283630 /nfs/dbraw/zinc/28/36/30/849283630.db2.gz DWHFERAOBDXJON-IINYFYTJSA-N -1 1 358.416 0.810 10 0 FCAEMM COCCOCCOCCN(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001138254408 849305453 /nfs/dbraw/zinc/30/54/53/849305453.db2.gz FEFPRYSQPINQCR-UHFFFAOYSA-N -1 1 354.432 0.770 10 0 FCAEMM CC(C)(C[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1)C(N)=O ZINC001141101465 849381747 /nfs/dbraw/zinc/38/17/47/849381747.db2.gz RGDABIUVONFYAZ-GFCCVEGCSA-N -1 1 350.419 0.067 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 ZINC001141578654 849402383 /nfs/dbraw/zinc/40/23/83/849402383.db2.gz WKFLTOBLHKKZAC-QMMMGPOBSA-N -1 1 356.429 0.964 10 0 FCAEMM COCCCn1nc(C(=O)NCc2cc(=O)[n-]c(SC)n2)ccc1=O ZINC001143619912 849496211 /nfs/dbraw/zinc/49/62/11/849496211.db2.gz HDAKHYASAUXLIY-UHFFFAOYSA-N -1 1 365.415 0.427 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)n[n-]1 ZINC001146863930 849568553 /nfs/dbraw/zinc/56/85/53/849568553.db2.gz DOWDJVZEFLWSRX-AEJSXWLSSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[n-]1 ZINC001146863930 849568557 /nfs/dbraw/zinc/56/85/57/849568557.db2.gz DOWDJVZEFLWSRX-AEJSXWLSSA-N -1 1 355.395 0.929 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)n1 ZINC001146863930 849568564 /nfs/dbraw/zinc/56/85/64/849568564.db2.gz DOWDJVZEFLWSRX-AEJSXWLSSA-N -1 1 355.395 0.929 10 0 FCAEMM CSCC[C@H](NC(=O)Cc1nnc(C2CCOCC2)[nH]1)c1nn[n-]n1 ZINC001148260787 849605492 /nfs/dbraw/zinc/60/54/92/849605492.db2.gz LCNMDSPRBSZYBQ-JTQLQIEISA-N -1 1 366.451 0.365 10 0 FCAEMM CO[C@@H]1CCn2cc(C(=O)N[C@@H](CCSC)c3nn[n-]n3)nc2C1 ZINC001148261050 849605964 /nfs/dbraw/zinc/60/59/64/849605964.db2.gz NYZRPDSHZFKXEB-ZJUUUORDSA-N -1 1 351.436 0.582 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC001166125660 850461543 /nfs/dbraw/zinc/46/15/43/850461543.db2.gz CENIBGITWQOHMY-VHSXEESVSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)[n-]1 ZINC001166125660 850461549 /nfs/dbraw/zinc/46/15/49/850461549.db2.gz CENIBGITWQOHMY-VHSXEESVSA-N -1 1 351.407 0.854 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](C)NC(=O)C2CCCC2)n1 ZINC001166125660 850461553 /nfs/dbraw/zinc/46/15/53/850461553.db2.gz CENIBGITWQOHMY-VHSXEESVSA-N -1 1 351.407 0.854 10 0 FCAEMM CSc1ncc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c(=O)[n-]1 ZINC001175204964 850756489 /nfs/dbraw/zinc/75/64/89/850756489.db2.gz WEKODWBPQSPTKV-SECBINFHSA-N -1 1 352.416 0.007 10 0 FCAEMM O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NC1(c2nn[n-]n2)CCC1 ZINC001176726264 850800268 /nfs/dbraw/zinc/80/02/68/850800268.db2.gz OTTSUQMWKOVUMC-UHFFFAOYSA-N -1 1 370.200 0.827 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568591 850853251 /nfs/dbraw/zinc/85/32/51/850853251.db2.gz YZQWXYXZQUWXSY-VHSXEESVSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568591 850853259 /nfs/dbraw/zinc/85/32/59/850853259.db2.gz YZQWXYXZQUWXSY-VHSXEESVSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568591 850853264 /nfs/dbraw/zinc/85/32/64/850853264.db2.gz YZQWXYXZQUWXSY-VHSXEESVSA-N -1 1 356.404 0.080 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)o1 ZINC001178471284 850901700 /nfs/dbraw/zinc/90/17/00/850901700.db2.gz ZRHNTFTXKXUNTD-NWDGAFQWSA-N -1 1 374.459 0.562 10 0 FCAEMM CS(=O)(=O)Cc1nc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC001179021623 850947877 /nfs/dbraw/zinc/94/78/77/850947877.db2.gz ZWCSHUJTAOTGBD-UHFFFAOYSA-N -1 1 367.412 0.709 10 0 FCAEMM C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCS1 ZINC001179761919 850998669 /nfs/dbraw/zinc/99/86/69/850998669.db2.gz DCNIAJXXQPXXQX-IUCAKERBSA-N -1 1 361.445 0.057 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc([O-])cn1)CCS2(=O)=O ZINC001180145196 851014450 /nfs/dbraw/zinc/01/44/50/851014450.db2.gz IKYATWXGTXYGDD-CSJGVYOVSA-N -1 1 368.411 0.416 10 0 FCAEMM COc1cc([C@H](C)NC(=O)CCc2nn[n-]n2)ccc1S(C)(=O)=O ZINC001181315573 851101621 /nfs/dbraw/zinc/10/16/21/851101621.db2.gz SZDRXNGGKRVSPV-VIFPVBQESA-N -1 1 353.404 0.422 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001261481860 858563951 /nfs/dbraw/zinc/56/39/51/858563951.db2.gz RJLWSELWAGPDIV-MFKMUULPSA-N -1 1 369.443 0.624 10 0 FCAEMM CCOCCOCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001282338177 864197459 /nfs/dbraw/zinc/19/74/59/864197459.db2.gz ZHBYLHGZUIBKHA-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001284425192 864563035 /nfs/dbraw/zinc/56/30/35/864563035.db2.gz NKNNZSFTWOPRNK-GRYCIOLGSA-N -1 1 351.432 0.284 10 0 FCAEMM COCCCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001290725040 865505050 /nfs/dbraw/zinc/50/50/50/865505050.db2.gz JRZBYLUTXLYTBU-OLZOCXBDSA-N -1 1 351.403 0.560 10 0 FCAEMM CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CCc2nn[n-]n2)ccc1F ZINC001293723571 865803672 /nfs/dbraw/zinc/80/36/72/865803672.db2.gz RGEMYPMZJOPXPG-UHFFFAOYSA-N -1 1 370.410 0.987 10 0 FCAEMM CCN1C(=O)[C@H]2CN(C(=O)c3ccc4n[n-]c(=S)n4c3)CCN2C1=O ZINC001294456798 865836283 /nfs/dbraw/zinc/83/62/83/865836283.db2.gz PGEXBCJQUUYJAU-SNVBAGLBSA-N -1 1 360.399 0.127 10 0 FCAEMM O=C(NCCn1cnnn1)c1cc(I)ccc1[O-] ZINC001294682454 865848613 /nfs/dbraw/zinc/84/86/13/865848613.db2.gz ZIFOKMNKDYIYCK-UHFFFAOYSA-N -1 1 359.127 0.413 10 0 FCAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1OCCO[C@H]1C ZINC001296493585 865970929 /nfs/dbraw/zinc/97/09/29/865970929.db2.gz QGTZTYMWAAZDHC-WFASDCNBSA-N -1 1 351.403 0.560 10 0 FCAEMM O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001296689086 865984764 /nfs/dbraw/zinc/98/47/64/865984764.db2.gz ZQKVTSORWGELEH-RNJXMRFFSA-N -1 1 364.353 0.273 10 0 FCAEMM CC(C)(C)OC(=O)[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)C1CC1 ZINC001296955732 865998602 /nfs/dbraw/zinc/99/86/02/865998602.db2.gz HWJIWXAVRCWAOZ-NSHDSACASA-N -1 1 351.407 0.378 10 0 FCAEMM CSc1nc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc(=O)[n-]1 ZINC001299998713 866203168 /nfs/dbraw/zinc/20/31/68/866203168.db2.gz PDSQYXIXBVEMPZ-UHFFFAOYSA-N -1 1 367.431 0.631 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n[n-]1 ZINC001300601846 866229154 /nfs/dbraw/zinc/22/91/54/866229154.db2.gz JRMSCNGUIQDXPR-SECBINFHSA-N -1 1 358.420 0.374 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)[n-]1 ZINC001300601846 866229174 /nfs/dbraw/zinc/22/91/74/866229174.db2.gz JRMSCNGUIQDXPR-SECBINFHSA-N -1 1 358.420 0.374 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC001300601846 866229194 /nfs/dbraw/zinc/22/91/94/866229194.db2.gz JRMSCNGUIQDXPR-SECBINFHSA-N -1 1 358.420 0.374 10 0 FCAEMM CNS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC001302529801 866338243 /nfs/dbraw/zinc/33/82/43/866338243.db2.gz MCUQLTBTLPOAAO-UHFFFAOYSA-N -1 1 362.407 0.842 10 0 FCAEMM C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001349841289 866458914 /nfs/dbraw/zinc/45/89/14/866458914.db2.gz TZRGAKNVNKSHGI-UZGDPCLZSA-N -1 1 351.447 0.591 10 0 FCAEMM Cn1ncc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1Br ZINC001350427887 866593600 /nfs/dbraw/zinc/59/36/00/866593600.db2.gz DPEKCRZJEXFQNQ-QMMMGPOBSA-N -1 1 354.212 0.791 10 0 FCAEMM CCOCCNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001316781507 867470133 /nfs/dbraw/zinc/47/01/33/867470133.db2.gz QLPHMBHDLFVRPC-OLZOCXBDSA-N -1 1 350.419 0.133 10 0 FCAEMM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c([O-])c2)C1=O ZINC001321151903 868382976 /nfs/dbraw/zinc/38/29/76/868382976.db2.gz ZYNPXWYDUPLLQM-UHFFFAOYSA-N -1 1 356.132 0.514 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC[C@]3(CNC(=O)C3)C2)c(=O)[n-]1 ZINC001321157755 868384750 /nfs/dbraw/zinc/38/47/50/868384750.db2.gz RQNMUFNKQUFLTK-INIZCTEOSA-N -1 1 350.444 0.884 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2c1COC2=O ZINC001321453661 868479489 /nfs/dbraw/zinc/47/94/89/868479489.db2.gz IMNSHIXIFHVXOT-CYBMUJFWSA-N -1 1 368.411 0.574 10 0 FCAEMM NS(=O)(=O)c1cc(Cl)cc(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC001326577881 870391610 /nfs/dbraw/zinc/39/16/10/870391610.db2.gz PZAVJLAHLKDVPF-XHDPSFHLSA-N -1 1 374.846 0.911 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nnn[n-]2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001344588404 870946426 /nfs/dbraw/zinc/94/64/26/870946426.db2.gz WIBRMESWWXTADH-SRVKXCTJSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nn[n-]n2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001344588404 870946436 /nfs/dbraw/zinc/94/64/36/870946436.db2.gz WIBRMESWWXTADH-SRVKXCTJSA-N -1 1 362.463 0.827 10 0 FCAEMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350877 871378488 /nfs/dbraw/zinc/37/84/88/871378488.db2.gz OVGPMOJEBINCNY-DOMZBBRYSA-N -1 1 351.447 0.689 10 0 FCAEMM NS(=O)(=O)CCCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001329160463 871854891 /nfs/dbraw/zinc/85/48/91/871854891.db2.gz LKRRONDNSDBXIB-UHFFFAOYSA-N -1 1 360.436 0.720 10 0 FCAEMM Cc1nn(C)cc1CCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001329216841 871892698 /nfs/dbraw/zinc/89/26/98/871892698.db2.gz PGEANJQNELEPDR-KRWDZBQOSA-N -1 1 350.419 0.049 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)CCOCC1 ZINC001329224294 871900581 /nfs/dbraw/zinc/90/05/81/871900581.db2.gz BLOCXXROARFZLM-HOCLYGCPSA-N -1 1 371.455 0.986 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](OC)[C@@H]2CCOC2)cc1 ZINC001329489000 872063246 /nfs/dbraw/zinc/06/32/46/872063246.db2.gz JUKYLRUMQCENEH-IUODEOHRSA-N -1 1 351.355 0.546 10 0 FCAEMM C[C@H](CN(C)C(=O)c1c(Br)nc2n1CCOC2)c1nn[n-]n1 ZINC001331210089 873010225 /nfs/dbraw/zinc/01/02/25/873010225.db2.gz MTMLRPAOGSZPOC-SSDOTTSWSA-N -1 1 370.211 0.565 10 0 FCAEMM C[C@H]1CCC[C@@H](CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])O1 ZINC001332103145 873373371 /nfs/dbraw/zinc/37/33/71/873373371.db2.gz LFWVNBIJDLFZLF-GJZGRUSLSA-N -1 1 356.467 0.288 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CC3)cn2)CC1 ZINC000908801109 939323076 /nfs/dbraw/zinc/32/30/76/939323076.db2.gz ZYHIQNRIAJMODU-MRXNPFEDSA-N -1 1 361.446 0.886 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293777458 214200956 /nfs/dbraw/zinc/20/09/56/214200956.db2.gz AUMHSKSSXGPIJX-SNVBAGLBSA-N -1 1 365.340 0.512 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293799927 214202351 /nfs/dbraw/zinc/20/23/51/214202351.db2.gz BYDLFCCDPFTZOO-LBPRGKRZSA-N -1 1 353.382 0.931 10 0 FCAEMM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293807313 214202362 /nfs/dbraw/zinc/20/23/62/214202362.db2.gz CHBIZYIBZOLSOT-ZDUSSCGKSA-N -1 1 353.382 0.819 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000360077771 215352431 /nfs/dbraw/zinc/35/24/31/215352431.db2.gz UGWWLUYDDXDZKW-GFCCVEGCSA-N -1 1 368.415 0.747 10 0 FCAEMM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000285640944 213369923 /nfs/dbraw/zinc/36/99/23/213369923.db2.gz FWLUTSHBFNGWNS-NSHDSACASA-N -1 1 357.432 0.709 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO ZINC000930999837 674085522 /nfs/dbraw/zinc/08/55/22/674085522.db2.gz IWUUXMLDKRQFQD-OUAUKWLOSA-N -1 1 370.368 0.193 10 0 FCAEMM CN1CC[C@H]2OCCN(C(=O)c3cc(F)ccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000284865172 213238153 /nfs/dbraw/zinc/23/81/53/213238153.db2.gz DUDAZHCGHKOGQK-LSDHHAIUSA-N -1 1 371.434 0.742 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000276236444 212192488 /nfs/dbraw/zinc/19/24/88/212192488.db2.gz TYUBTLAFZOQNCL-WKPIXPDZSA-N -1 1 355.412 0.932 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000275353733 212011590 /nfs/dbraw/zinc/01/15/90/212011590.db2.gz TXIYOOSBWZDVMM-UHFFFAOYSA-N -1 1 364.427 0.653 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)co1 ZINC000373930961 217075451 /nfs/dbraw/zinc/07/54/51/217075451.db2.gz VBAWZLKGLKBCBN-MKBNYLNASA-N -1 1 372.443 0.986 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1Cl ZINC000374638527 217152492 /nfs/dbraw/zinc/15/24/92/217152492.db2.gz RIRPLWQJHJRZQD-GHMZBOCLSA-N -1 1 363.867 0.920 10 0 FCAEMM COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@H](C)c3nn[n-]n3)CC(=O)N2C)cc1 ZINC000375380954 217258174 /nfs/dbraw/zinc/25/81/74/217258174.db2.gz QZDNSNLRGSOCAW-SGIREYDYSA-N -1 1 372.429 0.990 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccnn3C)CC2)co1 ZINC000375826751 217323052 /nfs/dbraw/zinc/32/30/52/217323052.db2.gz VTRJDPSRIBOMOY-UHFFFAOYSA-N -1 1 350.400 0.851 10 0 FCAEMM Cc1nc([C@H]2CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2)n[nH]1 ZINC000424494322 247239325 /nfs/dbraw/zinc/23/93/25/247239325.db2.gz PKCWZFOUZSEJMW-QWHCGFSZSA-N -1 1 365.434 0.682 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC23CC3)cc1[N-]S(C)(=O)=O ZINC000425799165 247387174 /nfs/dbraw/zinc/38/71/74/247387174.db2.gz LTFXWHSOFAQUGY-GFCCVEGCSA-N -1 1 353.400 0.674 10 0 FCAEMM CNC(=O)COc1cccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000435914770 248023850 /nfs/dbraw/zinc/02/38/50/248023850.db2.gz OKSKPQDOTCDDLE-UHFFFAOYSA-N -1 1 358.402 0.453 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccc(OC)cc1OC ZINC000443045648 248304848 /nfs/dbraw/zinc/30/48/48/248304848.db2.gz RPESXCUIBCEPAS-QMTHXVAHSA-N -1 1 361.416 0.872 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC3(C)COC3)CC2)n1 ZINC000444965132 248372208 /nfs/dbraw/zinc/37/22/08/248372208.db2.gz JLUQODDXHMWIBR-UHFFFAOYSA-N -1 1 351.407 0.907 10 0 FCAEMM COC(=O)c1ccc(NC(=O)CSc2nc3nc(N)[nH]c(=O)c3[n-]2)cc1 ZINC000020220865 211271878 /nfs/dbraw/zinc/27/18/78/211271878.db2.gz AXGPRYJSLXJLOX-UHFFFAOYSA-N -1 1 374.382 0.746 10 0 FCAEMM COC(=O)c1ccc(NC(=O)CSc2nc3c([n-]2)nc(N)[nH]c3=O)cc1 ZINC000020220865 211271882 /nfs/dbraw/zinc/27/18/82/211271882.db2.gz AXGPRYJSLXJLOX-UHFFFAOYSA-N -1 1 374.382 0.746 10 0 FCAEMM O=C(CNC(=O)c1ccc(Br)o1)NC1(c2nn[n-]n2)CC1 ZINC000470971521 250082831 /nfs/dbraw/zinc/08/28/31/250082831.db2.gz KNLNRMZKYFAITG-UHFFFAOYSA-N -1 1 355.152 0.091 10 0 FCAEMM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470970565 250083107 /nfs/dbraw/zinc/08/31/07/250083107.db2.gz GYSVTXMSXNUOBP-UHFFFAOYSA-N -1 1 364.431 0.648 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000470981046 250084475 /nfs/dbraw/zinc/08/44/75/250084475.db2.gz DFNBJVLVNWXQEP-JTQLQIEISA-N -1 1 370.369 0.129 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000470981047 250085016 /nfs/dbraw/zinc/08/50/16/250085016.db2.gz DFNBJVLVNWXQEP-SNVBAGLBSA-N -1 1 370.369 0.129 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccccc2OC)co1 ZINC000270024306 211141615 /nfs/dbraw/zinc/14/16/15/211141615.db2.gz BCGCEDQIVRTZAA-LBPRGKRZSA-N -1 1 354.384 0.660 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000269981112 211132378 /nfs/dbraw/zinc/13/23/78/211132378.db2.gz CQSHSWURKYWEQN-GFCCVEGCSA-N -1 1 366.399 0.804 10 0 FCAEMM CO[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000471698330 250115553 /nfs/dbraw/zinc/11/55/53/250115553.db2.gz UQADVQPUCCDVAE-KGLIPLIRSA-N -1 1 364.446 0.944 10 0 FCAEMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1=O ZINC000473713924 250247723 /nfs/dbraw/zinc/24/77/23/250247723.db2.gz HVUGJTSFFNYVCO-DOMZBBRYSA-N -1 1 357.370 0.280 10 0 FCAEMM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1nc(C)c(C)s1)C(=O)OC ZINC000480763312 250281853 /nfs/dbraw/zinc/28/18/53/250281853.db2.gz MNQXINLYXYZAJE-SECBINFHSA-N -1 1 350.418 0.533 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796710 208111155 /nfs/dbraw/zinc/11/11/55/208111155.db2.gz IIUFZOMZMIFDHK-ZDUSSCGKSA-N -1 1 354.160 0.579 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCNC(=O)c1ccccc1 ZINC000103941058 208178785 /nfs/dbraw/zinc/17/87/85/208178785.db2.gz ZWSQSVKSWWSAJB-UHFFFAOYSA-N -1 1 367.409 0.728 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000116982065 208338512 /nfs/dbraw/zinc/33/85/12/208338512.db2.gz AZSQECKDZGLTIT-VIFPVBQESA-N -1 1 363.233 0.918 10 0 FCAEMM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195159217 229272490 /nfs/dbraw/zinc/27/24/90/229272490.db2.gz NRSYVXOFTRSSPC-SECBINFHSA-N -1 1 363.486 0.911 10 0 FCAEMM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1nc(Cc2cccs2)n[n-]1 ZINC000195159217 229272493 /nfs/dbraw/zinc/27/24/93/229272493.db2.gz NRSYVXOFTRSSPC-SECBINFHSA-N -1 1 363.486 0.911 10 0 FCAEMM C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(Cc2cccs2)n1 ZINC000195159217 229272496 /nfs/dbraw/zinc/27/24/96/229272496.db2.gz NRSYVXOFTRSSPC-SECBINFHSA-N -1 1 363.486 0.911 10 0 FCAEMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)c1 ZINC000349475097 489294139 /nfs/dbraw/zinc/29/41/39/489294139.db2.gz LERDOIHGWCGAKY-LBPRGKRZSA-N -1 1 365.477 0.164 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2O)c(Br)n1C ZINC000288140280 488948804 /nfs/dbraw/zinc/94/88/04/488948804.db2.gz NEGNTDCZHZJQQU-IUCAKERBSA-N -1 1 352.254 0.930 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cc[nH]n1 ZINC000045010884 487928269 /nfs/dbraw/zinc/92/82/69/487928269.db2.gz WDKDBIQAJKAEFR-UHFFFAOYSA-N -1 1 352.372 0.389 10 0 FCAEMM O=C(C[C@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000047064142 488010825 /nfs/dbraw/zinc/01/08/25/488010825.db2.gz PDGUMKYYSIQEND-GFCCVEGCSA-N -1 1 370.427 0.921 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)o1 ZINC000048098612 488059486 /nfs/dbraw/zinc/05/94/86/488059486.db2.gz JNMPTOYHYWRCIH-SNVBAGLBSA-N -1 1 352.368 0.758 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@@H](CO)C1 ZINC000230903529 488452811 /nfs/dbraw/zinc/45/28/11/488452811.db2.gz PYFOMSHXKGPPCO-SECBINFHSA-N -1 1 363.151 0.830 10 0 FCAEMM Cc1nc(C(=O)N[C@@H](C)CCC(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000262130697 488552422 /nfs/dbraw/zinc/55/24/22/488552422.db2.gz KGFWOLWQESAWQX-YFKPBYRVSA-N -1 1 361.284 0.696 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCSCC1)[N-]CC(F)F ZINC000349523669 489307891 /nfs/dbraw/zinc/30/78/91/489307891.db2.gz YRHNKSCTQRIECI-UHFFFAOYSA-N -1 1 366.477 0.330 10 0 FCAEMM COC(=O)c1sccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274889546 488740997 /nfs/dbraw/zinc/74/09/97/488740997.db2.gz FSOULVXHSYTNOE-MRVPVSSYSA-N -1 1 359.385 0.232 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000275059872 488757644 /nfs/dbraw/zinc/75/76/44/488757644.db2.gz YQZLTKRGFKBVHZ-AWEZNQCLSA-N -1 1 370.427 0.691 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000267207119 488769757 /nfs/dbraw/zinc/76/97/57/488769757.db2.gz YPMQLXMXCPUTDH-SNVBAGLBSA-N -1 1 356.448 0.552 10 0 FCAEMM CN(CCCNC(=O)CSc1nc(C2CC2)cc(=O)[n-]1)S(C)(=O)=O ZINC000277823150 488789566 /nfs/dbraw/zinc/78/95/66/488789566.db2.gz YEXBYNIWIGBFMM-UHFFFAOYSA-N -1 1 374.488 0.549 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1F ZINC000278225156 488806198 /nfs/dbraw/zinc/80/61/98/488806198.db2.gz UORCWIZKRCBGRU-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM CN1CCN(Cc2cccc(NC(=O)c3cnc([O-])n(C)c3=O)c2)CC1 ZINC000267691640 488812596 /nfs/dbraw/zinc/81/25/96/488812596.db2.gz OIXVMJULCNZRCI-UHFFFAOYSA-N -1 1 357.414 0.486 10 0 FCAEMM CN1C(=O)CC[C@@H](C(=O)NCCCc2nc(=O)[n-][nH]2)[C@H]1c1ccccc1 ZINC000176255762 488858021 /nfs/dbraw/zinc/85/80/21/488858021.db2.gz XRQKYKLFONNWTO-CZUORRHYSA-N -1 1 357.414 0.757 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2c(C)nn(C)c2C)co1 ZINC000182254625 488864528 /nfs/dbraw/zinc/86/45/28/488864528.db2.gz BCCFSRSLWLUSRA-UHFFFAOYSA-N -1 1 354.432 0.901 10 0 FCAEMM O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000364693109 488987182 /nfs/dbraw/zinc/98/71/82/488987182.db2.gz BVRCQBHZOWTXPQ-YWPYICTPSA-N -1 1 357.370 0.675 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329382644 488999568 /nfs/dbraw/zinc/99/95/68/488999568.db2.gz OMDHEJXUSKMVDX-NEPJUHHUSA-N -1 1 354.432 0.626 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)co1 ZINC000280651701 489022923 /nfs/dbraw/zinc/02/29/23/489022923.db2.gz UQXULZKCINYBIW-OAHLLOKOSA-N -1 1 358.416 0.598 10 0 FCAEMM CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289167451 489046431 /nfs/dbraw/zinc/04/64/31/489046431.db2.gz FDOMOBGQZUVNGE-ZDUSSCGKSA-N -1 1 372.429 0.618 10 0 FCAEMM COC(=O)c1cccc([C@@H](C(=O)OC)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289462973 489069016 /nfs/dbraw/zinc/06/90/16/489069016.db2.gz QFNBOQKREIOACZ-KBPBESRZSA-N -1 1 374.397 0.978 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000365998639 489133485 /nfs/dbraw/zinc/13/34/85/489133485.db2.gz ZWLDVSAWASEFDW-MWLCHTKSSA-N -1 1 356.402 0.967 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)OC)cc1[N-]S(C)(=O)=O ZINC000290388426 489136109 /nfs/dbraw/zinc/13/61/09/489136109.db2.gz RMNWFEHWZVGQAH-NXEZZACHSA-N -1 1 373.431 0.545 10 0 FCAEMM C[C@H](CN(C)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000282174625 489141921 /nfs/dbraw/zinc/14/19/21/489141921.db2.gz CWXFPRIHABNECW-NXEZZACHSA-N -1 1 367.410 0.431 10 0 FCAEMM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000290815530 489167368 /nfs/dbraw/zinc/16/73/68/489167368.db2.gz SNCKZEHJNZTRAF-SECBINFHSA-N -1 1 358.424 0.896 10 0 FCAEMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C[C@@]2(CCOC2)O1 ZINC000366512999 489190941 /nfs/dbraw/zinc/19/09/41/489190941.db2.gz FVBIMHJVRPBNRC-XHDPSFHLSA-N -1 1 358.416 0.598 10 0 FCAEMM O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282836726 489193079 /nfs/dbraw/zinc/19/30/79/489193079.db2.gz DYHYPRHJXLSNBU-HUUCEWRRSA-N -1 1 369.425 0.853 10 0 FCAEMM O=C(CCN1C(=O)COc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899843 489198118 /nfs/dbraw/zinc/19/81/18/489198118.db2.gz LMVYLTRKXXPMEL-GFCCVEGCSA-N -1 1 371.397 0.620 10 0 FCAEMM O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282944282 489201380 /nfs/dbraw/zinc/20/13/80/489201380.db2.gz PVUYGUKEAKQOEG-LBPRGKRZSA-N -1 1 356.386 0.647 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)o1 ZINC000370025758 489305698 /nfs/dbraw/zinc/30/56/98/489305698.db2.gz KGWIECJETYXZTB-GMTAPVOTSA-N -1 1 356.400 0.744 10 0 FCAEMM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2nc3ccccc3c(=O)[n-]2)C1=O ZINC000370035726 489307561 /nfs/dbraw/zinc/30/75/61/489307561.db2.gz GLHRLDFDKMXQNS-XTZNXHDOSA-N -1 1 369.381 0.373 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccccn1 ZINC000349547830 489313191 /nfs/dbraw/zinc/31/31/91/489313191.db2.gz VQXXRAXVWRVPFL-IMRBUKKESA-N -1 1 359.473 0.931 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)co1 ZINC000285874353 489328772 /nfs/dbraw/zinc/32/87/72/489328772.db2.gz QVJOCZWLYCOCCX-UHFFFAOYSA-N -1 1 369.321 0.034 10 0 FCAEMM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370860975 489414736 /nfs/dbraw/zinc/41/47/36/489414736.db2.gz MCCCFMKDBLQUII-KBPBESRZSA-N -1 1 356.386 0.404 10 0 FCAEMM O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371309351 489476132 /nfs/dbraw/zinc/47/61/32/489476132.db2.gz XCTDLOHERPCLAS-LLVKDONJSA-N -1 1 366.418 0.891 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1nc(C(F)(F)F)no1 ZINC000632479835 493005670 /nfs/dbraw/zinc/00/56/70/493005670.db2.gz KKWLOKNYECCJOX-YUMQZZPRSA-N -1 1 358.342 0.399 10 0 FCAEMM COCC[C@H](COC)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000427604414 489615390 /nfs/dbraw/zinc/61/53/90/489615390.db2.gz YOXASKHNUSNYIM-CQSZACIVSA-N -1 1 360.414 0.851 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c([O-])c1 ZINC000460294068 489862277 /nfs/dbraw/zinc/86/22/77/489862277.db2.gz SIZJEYIUQKGFNM-UHFFFAOYSA-N -1 1 353.386 0.735 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000476535764 489898351 /nfs/dbraw/zinc/89/83/51/489898351.db2.gz PEFQELXDWOOFQA-SUNKGSAMSA-N -1 1 365.473 0.686 10 0 FCAEMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477045012 489935095 /nfs/dbraw/zinc/93/50/95/489935095.db2.gz CMEOWJMLRZGGCB-UHFFFAOYSA-N -1 1 364.431 0.696 10 0 FCAEMM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477047142 489935495 /nfs/dbraw/zinc/93/54/95/489935495.db2.gz XAWWFPHBSAGZJI-SECBINFHSA-N -1 1 350.404 0.450 10 0 FCAEMM Cn1nccc1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477134700 489945477 /nfs/dbraw/zinc/94/54/77/489945477.db2.gz OAGOHSHDLSUHRC-UHFFFAOYSA-N -1 1 362.408 0.409 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc32)o1 ZINC000462034098 489951838 /nfs/dbraw/zinc/95/18/38/489951838.db2.gz CCFDSPWEXDJZPX-UHFFFAOYSA-N -1 1 365.367 0.082 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000477420790 489964127 /nfs/dbraw/zinc/96/41/27/489964127.db2.gz SDWWULDSLDPMKM-JTQLQIEISA-N -1 1 359.342 0.217 10 0 FCAEMM COc1ccc(-c2n[nH]c(CNC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000420543831 489988760 /nfs/dbraw/zinc/98/87/60/489988760.db2.gz GBSNOVXEQOCCPO-LLVKDONJSA-N -1 1 373.369 0.030 10 0 FCAEMM COc1ccc(-c2nc(CNC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)n[nH]2)cc1 ZINC000420543831 489988764 /nfs/dbraw/zinc/98/87/64/489988764.db2.gz GBSNOVXEQOCCPO-LLVKDONJSA-N -1 1 373.369 0.030 10 0 FCAEMM CCN1C(=O)[C@@H]2CN(C(=O)c3cnc4nc(C)ccc4c3[O-])CCN2C1=O ZINC000378051739 490001820 /nfs/dbraw/zinc/00/18/20/490001820.db2.gz BZABWTSEOCTZKE-ZDUSSCGKSA-N -1 1 369.381 0.752 10 0 FCAEMM CCN1C(=O)[C@@H]2CN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CCN2C1=O ZINC000378051739 490001825 /nfs/dbraw/zinc/00/18/25/490001825.db2.gz BZABWTSEOCTZKE-ZDUSSCGKSA-N -1 1 369.381 0.752 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4nc(N)ns4)CC3)cnc2n1 ZINC000442089250 490058464 /nfs/dbraw/zinc/05/84/64/490058464.db2.gz LXBQKLXVMPOPMJ-UHFFFAOYSA-N -1 1 371.426 1.040 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN(c3nc(N)ns3)CC1)c2=O ZINC000442089250 490058466 /nfs/dbraw/zinc/05/84/66/490058466.db2.gz LXBQKLXVMPOPMJ-UHFFFAOYSA-N -1 1 371.426 1.040 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)sc1C ZINC000532931251 490142195 /nfs/dbraw/zinc/14/21/95/490142195.db2.gz HULJRBHVPXPYGY-QWRGUYRKSA-N -1 1 367.518 0.756 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)sc1C ZINC000533118865 490179837 /nfs/dbraw/zinc/17/98/37/490179837.db2.gz HJSSWYVTVDDLLU-SNVBAGLBSA-N -1 1 353.491 0.462 10 0 FCAEMM CCOC(=O)CCCS(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000547899050 490381021 /nfs/dbraw/zinc/38/10/21/490381021.db2.gz NJNCEBTWJKUUJN-GFCCVEGCSA-N -1 1 350.437 0.188 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000547910588 490384449 /nfs/dbraw/zinc/38/44/49/490384449.db2.gz CGJHIMBTFQOWDH-CHWSQXEVSA-N -1 1 362.448 0.140 10 0 FCAEMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000522855231 490412951 /nfs/dbraw/zinc/41/29/51/490412951.db2.gz WUTKBYWAZMIZEY-SECBINFHSA-N -1 1 370.460 0.514 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)n1 ZINC000523789696 490496234 /nfs/dbraw/zinc/49/62/34/490496234.db2.gz GGIIEBBDDXHAMN-VIFPVBQESA-N -1 1 355.420 0.328 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)[n-]1 ZINC000523789696 490496239 /nfs/dbraw/zinc/49/62/39/490496239.db2.gz GGIIEBBDDXHAMN-VIFPVBQESA-N -1 1 355.420 0.328 10 0 FCAEMM CN1CCc2ccc(S(=O)(=O)N[C@@H](CN3CCCCC3)C(=O)[O-])cc21 ZINC000548540529 490501710 /nfs/dbraw/zinc/50/17/10/490501710.db2.gz RFIHTGJDRJSZMG-HNNXBMFYSA-N -1 1 367.471 0.896 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)o1 ZINC000510469031 490520107 /nfs/dbraw/zinc/52/01/07/490520107.db2.gz JMSVGWOJYMJFBY-VIFPVBQESA-N -1 1 365.429 0.700 10 0 FCAEMM NC(=O)c1cn(C2CN(C(=O)c3ccc(Br)c([O-])c3)C2)nn1 ZINC000500577197 490537137 /nfs/dbraw/zinc/53/71/37/490537137.db2.gz MZSYRSSIVQJYIM-UHFFFAOYSA-N -1 1 366.175 0.542 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000524576635 490544969 /nfs/dbraw/zinc/54/49/69/490544969.db2.gz SHXLDQJBQMSWMI-TXEJJXNPSA-N -1 1 360.418 0.651 10 0 FCAEMM CCNC(=O)C1CN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000485834805 490562094 /nfs/dbraw/zinc/56/20/94/490562094.db2.gz OHXCATUNIWVCTH-UHFFFAOYSA-N -1 1 355.398 0.690 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)cc1[N-]S(C)(=O)=O ZINC000511777211 490626650 /nfs/dbraw/zinc/62/66/50/490626650.db2.gz PSZPLVKYYUYQAQ-NSHDSACASA-N -1 1 371.415 0.300 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000550244789 490646231 /nfs/dbraw/zinc/64/62/31/490646231.db2.gz MRJLMCMCNVKCIB-UHFFFAOYSA-N -1 1 366.399 0.703 10 0 FCAEMM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccc2N1C ZINC000537125155 490650176 /nfs/dbraw/zinc/65/01/76/490650176.db2.gz ZVWHVIWLGIMWFE-CMPLNLGQSA-N -1 1 355.402 0.996 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000538069919 490708293 /nfs/dbraw/zinc/70/82/93/490708293.db2.gz VQDXWRIUJSYSTR-LLVKDONJSA-N -1 1 371.415 0.253 10 0 FCAEMM CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538225221 490721034 /nfs/dbraw/zinc/72/10/34/490721034.db2.gz QQSCJRNFYDVLMC-GFCCVEGCSA-N -1 1 358.402 0.687 10 0 FCAEMM O=C(c1ccccc1)N1C[C@@H](CN=c2ncnc3[nH][nH]cc2-3)[N@H+]2CC[C@H]1C2 ZINC000538293140 490725001 /nfs/dbraw/zinc/72/50/01/490725001.db2.gz GONCOKFMEAEQKI-LSDHHAIUSA-N -1 1 363.425 0.737 10 0 FCAEMM CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000538606716 490740820 /nfs/dbraw/zinc/74/08/20/490740820.db2.gz DFMBIPXEJYFVKT-GFCCVEGCSA-N -1 1 355.416 0.625 10 0 FCAEMM CCC[C@@](C)(O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000539971699 490803525 /nfs/dbraw/zinc/80/35/25/490803525.db2.gz JNCBTKMTCLJOHH-MRXNPFEDSA-N -1 1 372.443 0.903 10 0 FCAEMM CCn1nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(=O)c2ccccc21 ZINC000540424613 490821287 /nfs/dbraw/zinc/82/12/87/490821287.db2.gz UGGTZRUIURZUAX-LLVKDONJSA-N -1 1 353.386 0.949 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(F)F)o1 ZINC000505454536 490830185 /nfs/dbraw/zinc/83/01/85/490830185.db2.gz XJWMZLSGBRAXPE-MRVPVSSYSA-N -1 1 365.358 0.303 10 0 FCAEMM COc1ccc(NC(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000528995287 490836156 /nfs/dbraw/zinc/83/61/56/490836156.db2.gz IKAXXEAUSUDGNA-OCCSQVGLSA-N -1 1 373.431 0.728 10 0 FCAEMM COc1ccc(NC(=O)NC[C@H](O)[C@H]2CCCO2)cc1[N-]S(C)(=O)=O ZINC000528995283 490836191 /nfs/dbraw/zinc/83/61/91/490836191.db2.gz IKAXXEAUSUDGNA-GXTWGEPZSA-N -1 1 373.431 0.728 10 0 FCAEMM CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2cnn(-c3ccncc3)c2)CO1 ZINC000529105935 490842100 /nfs/dbraw/zinc/84/21/00/490842100.db2.gz PYNIZHDFWNRJBJ-ZDUSSCGKSA-N -1 1 350.400 0.894 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)o1 ZINC000529997520 490885774 /nfs/dbraw/zinc/88/57/74/490885774.db2.gz UNUXKZRHMWBKGB-VHSXEESVSA-N -1 1 369.424 0.391 10 0 FCAEMM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000518844384 490953500 /nfs/dbraw/zinc/95/35/00/490953500.db2.gz GLVWOFCFTIBDSX-ZDUSSCGKSA-N -1 1 363.414 0.798 10 0 FCAEMM O=C(CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1)NC[C@@H]1CCCO1 ZINC000519073617 490960916 /nfs/dbraw/zinc/96/09/16/490960916.db2.gz QRYUOJGFFUITKZ-LBPRGKRZSA-N -1 1 350.400 0.541 10 0 FCAEMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1)NC[C@@H]1CCCO1 ZINC000519073617 490960917 /nfs/dbraw/zinc/96/09/17/490960917.db2.gz QRYUOJGFFUITKZ-LBPRGKRZSA-N -1 1 350.400 0.541 10 0 FCAEMM C[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000572390664 491367147 /nfs/dbraw/zinc/36/71/47/491367147.db2.gz RNEJOBZDOCYZGE-JTQLQIEISA-N -1 1 363.395 0.797 10 0 FCAEMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CCOC1 ZINC000544555576 490972345 /nfs/dbraw/zinc/97/23/45/490972345.db2.gz QPPLBXGDRYCSKD-MRXNPFEDSA-N -1 1 370.427 0.778 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nc(-c2ccc(C)cc2)n[n-]1 ZINC000569543250 491167461 /nfs/dbraw/zinc/16/74/61/491167461.db2.gz KWJVQLYYVCYHSB-UHFFFAOYSA-N -1 1 358.445 0.493 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccc(C)cc2)n1 ZINC000569543250 491167463 /nfs/dbraw/zinc/16/74/63/491167463.db2.gz KWJVQLYYVCYHSB-UHFFFAOYSA-N -1 1 358.445 0.493 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000557407985 491372432 /nfs/dbraw/zinc/37/24/32/491372432.db2.gz LHCWCTYESSNPLO-JTQLQIEISA-N -1 1 374.488 0.709 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](O)C3CCOCC3)CC2)n1 ZINC000565519668 491381672 /nfs/dbraw/zinc/38/16/72/491381672.db2.gz YIQAFDHAZXEQGE-CYBMUJFWSA-N -1 1 366.418 0.475 10 0 FCAEMM CC(C)(NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(N)=O ZINC000572962945 491404250 /nfs/dbraw/zinc/40/42/50/491404250.db2.gz PYTTVUQYXTUWBS-UHFFFAOYSA-N -1 1 368.242 0.652 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1)C1CC1 ZINC000566619919 491456641 /nfs/dbraw/zinc/45/66/41/491456641.db2.gz IVRSGZLWALXDPU-XHDPSFHLSA-N -1 1 356.444 0.964 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCC(N)=O)cc1)C1CC1 ZINC000566737358 491463920 /nfs/dbraw/zinc/46/39/20/491463920.db2.gz HRORPTHCJZDIDC-CQSZACIVSA-N -1 1 369.443 0.459 10 0 FCAEMM CC1(C)COCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000559632501 491487879 /nfs/dbraw/zinc/48/78/79/491487879.db2.gz GOJCSXJIIPTKHO-UHFFFAOYSA-N -1 1 352.409 0.954 10 0 FCAEMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000560020476 491515456 /nfs/dbraw/zinc/51/54/56/491515456.db2.gz SDQGWOIPTNXRNX-UHFFFAOYSA-N -1 1 359.429 0.995 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Nc3ncccn3)C2)o1 ZINC000567946958 491542483 /nfs/dbraw/zinc/54/24/83/491542483.db2.gz GQOPFYCGFGYSKZ-JTQLQIEISA-N -1 1 351.388 0.304 10 0 FCAEMM O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1c(F)cccc1Cl ZINC000579860274 491707160 /nfs/dbraw/zinc/70/71/60/491707160.db2.gz BIPYSOQHEMPPRQ-LLVKDONJSA-N -1 1 357.812 0.307 10 0 FCAEMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588682612 491746249 /nfs/dbraw/zinc/74/62/49/491746249.db2.gz XHXIEIJWNHUDCC-UHFFFAOYSA-N -1 1 358.388 0.191 10 0 FCAEMM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1F ZINC000585809063 491730092 /nfs/dbraw/zinc/73/00/92/491730092.db2.gz LPOLVFXMTHWEDU-UHFFFAOYSA-N -1 1 372.390 0.808 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000581322227 491768678 /nfs/dbraw/zinc/76/86/78/491768678.db2.gz PWKYZYBUEPGJDU-CQSZACIVSA-N -1 1 359.423 0.766 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000582281068 491805602 /nfs/dbraw/zinc/80/56/02/491805602.db2.gz CXFZAQMMBCXOLL-UHFFFAOYSA-N -1 1 362.408 0.324 10 0 FCAEMM CNS(=O)(=O)CCCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000582281068 491805603 /nfs/dbraw/zinc/80/56/03/491805603.db2.gz CXFZAQMMBCXOLL-UHFFFAOYSA-N -1 1 362.408 0.324 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)n1 ZINC000591450490 491806066 /nfs/dbraw/zinc/80/60/66/491806066.db2.gz MDJBAFQLBXGXIW-UHFFFAOYSA-N -1 1 363.399 0.664 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)[n-]1 ZINC000591450490 491806067 /nfs/dbraw/zinc/80/60/67/491806067.db2.gz MDJBAFQLBXGXIW-UHFFFAOYSA-N -1 1 363.399 0.664 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)ncn2C)c1ccnn1C ZINC000592090832 491831461 /nfs/dbraw/zinc/83/14/61/491831461.db2.gz FFHPBJNTSWXHRT-CQSZACIVSA-N -1 1 363.399 0.499 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCc1ccccc1)c1ccnn1C ZINC000592097608 491832018 /nfs/dbraw/zinc/83/20/18/491832018.db2.gz RAVIUAQYMMBMQP-OAHLLOKOSA-N -1 1 367.427 0.770 10 0 FCAEMM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2nn[n-]n2)CC1 ZINC000600496097 491864062 /nfs/dbraw/zinc/86/40/62/491864062.db2.gz QEHISGRLPSEPQP-UHFFFAOYSA-N -1 1 357.418 0.780 10 0 FCAEMM CO[C@@H](C)CS(=O)(=O)[N-]c1nn(C)cc1I ZINC000600667281 491874497 /nfs/dbraw/zinc/87/44/97/491874497.db2.gz GAPBQAGMVKJEGX-LURJTMIESA-N -1 1 359.189 0.801 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000600839809 491886647 /nfs/dbraw/zinc/88/66/47/491886647.db2.gz PYRSRFOPHUAWGG-UHFFFAOYSA-N -1 1 360.370 0.443 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000600839809 491886648 /nfs/dbraw/zinc/88/66/48/491886648.db2.gz PYRSRFOPHUAWGG-UHFFFAOYSA-N -1 1 360.370 0.443 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000601362607 491908699 /nfs/dbraw/zinc/90/86/99/491908699.db2.gz WVBCSNBVBAKRGU-LSDHHAIUSA-N -1 1 356.444 0.541 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-]C2(C(=O)OC)CCSCC2)CC1 ZINC000601378325 491910967 /nfs/dbraw/zinc/91/09/67/491910967.db2.gz AOWNHXKKMWOJQJ-UHFFFAOYSA-N -1 1 351.446 0.298 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000595327369 491919931 /nfs/dbraw/zinc/91/99/31/491919931.db2.gz QTVYJCJXGVOXQJ-WDEREUQCSA-N -1 1 363.432 0.811 10 0 FCAEMM COC(=O)[C@H]1CSCCN(S(=O)(=O)c2cc(OC)ccc2[O-])C1 ZINC000601441597 491920117 /nfs/dbraw/zinc/92/01/17/491920117.db2.gz KLNIXPHHRAIBER-SNVBAGLBSA-N -1 1 361.441 0.928 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000595341693 491921672 /nfs/dbraw/zinc/92/16/72/491921672.db2.gz JXHSSOHMANMCMK-ZJUUUORDSA-N -1 1 365.429 0.619 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)cc1C ZINC000595347244 491922728 /nfs/dbraw/zinc/92/27/28/491922728.db2.gz PALKWVYKQTUUAI-LLVKDONJSA-N -1 1 371.371 0.301 10 0 FCAEMM CN1C[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)NC1=O ZINC000613553915 491985904 /nfs/dbraw/zinc/98/59/04/491985904.db2.gz ATKBACQKCRBXQA-NXEZZACHSA-N -1 1 353.745 0.221 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)n[n-]1 ZINC000597579858 492048849 /nfs/dbraw/zinc/04/88/49/492048849.db2.gz NHOUSIKDVMGCKD-CHWSQXEVSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)[n-]1 ZINC000597579858 492048851 /nfs/dbraw/zinc/04/88/51/492048851.db2.gz NHOUSIKDVMGCKD-CHWSQXEVSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)n1 ZINC000597579858 492048852 /nfs/dbraw/zinc/04/88/52/492048852.db2.gz NHOUSIKDVMGCKD-CHWSQXEVSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)n[n-]1 ZINC000597580160 492048855 /nfs/dbraw/zinc/04/88/55/492048855.db2.gz NHOUSIKDVMGCKD-QWHCGFSZSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)[n-]1 ZINC000597580160 492048857 /nfs/dbraw/zinc/04/88/57/492048857.db2.gz NHOUSIKDVMGCKD-QWHCGFSZSA-N -1 1 368.434 0.972 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H](O)C2CCOCC2)n1 ZINC000597580160 492048858 /nfs/dbraw/zinc/04/88/58/492048858.db2.gz NHOUSIKDVMGCKD-QWHCGFSZSA-N -1 1 368.434 0.972 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000615357664 492087480 /nfs/dbraw/zinc/08/74/80/492087480.db2.gz GLAXGBVGQLDJPS-JTQLQIEISA-N -1 1 350.400 0.077 10 0 FCAEMM CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000605532263 492097751 /nfs/dbraw/zinc/09/77/51/492097751.db2.gz UJGXRAPVITXPGT-LLVKDONJSA-N -1 1 356.452 0.147 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ncns3)CC2)co1 ZINC000615799658 492103555 /nfs/dbraw/zinc/10/35/55/492103555.db2.gz XDAQEOZEJUDFIY-UHFFFAOYSA-N -1 1 357.417 0.002 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)n[n-]1 ZINC000615918546 492106922 /nfs/dbraw/zinc/10/69/22/492106922.db2.gz UJTVSWVVIGIBRW-JTQLQIEISA-N -1 1 351.407 0.683 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)n1 ZINC000615918546 492106925 /nfs/dbraw/zinc/10/69/25/492106925.db2.gz UJTVSWVVIGIBRW-JTQLQIEISA-N -1 1 351.407 0.683 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)CCc2ccc(C)cc2)n[n-]1 ZINC000615919120 492107365 /nfs/dbraw/zinc/10/73/65/492107365.db2.gz AFEKYOKGEQNMPI-UHFFFAOYSA-N -1 1 373.413 0.655 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)CCc2ccc(C)cc2)n1 ZINC000615919120 492107366 /nfs/dbraw/zinc/10/73/66/492107366.db2.gz AFEKYOKGEQNMPI-UHFFFAOYSA-N -1 1 373.413 0.655 10 0 FCAEMM CCCC(=O)N1CCCC[C@H]1C(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000615919654 492107849 /nfs/dbraw/zinc/10/78/49/492107849.db2.gz IJNUVHDEEWWPAW-NSHDSACASA-N -1 1 351.407 0.779 10 0 FCAEMM CCCC(=O)N1CCCC[C@H]1C(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000615919654 492107851 /nfs/dbraw/zinc/10/78/51/492107851.db2.gz IJNUVHDEEWWPAW-NSHDSACASA-N -1 1 351.407 0.779 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)n[n-]1 ZINC000615919520 492108062 /nfs/dbraw/zinc/10/80/62/492108062.db2.gz BNYMYRLDBUGPOX-UHFFFAOYSA-N -1 1 361.387 0.768 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc(-c3cnn(C)c3)s2)n1 ZINC000615919520 492108063 /nfs/dbraw/zinc/10/80/63/492108063.db2.gz BNYMYRLDBUGPOX-UHFFFAOYSA-N -1 1 361.387 0.768 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)CSCC(=O)OC(C)(C)C)nc2n1 ZINC000598893003 492120451 /nfs/dbraw/zinc/12/04/51/492120451.db2.gz ODOLCGUSCXKXQG-UHFFFAOYSA-N -1 1 367.431 0.993 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)co1 ZINC000616554433 492136606 /nfs/dbraw/zinc/13/66/06/492136606.db2.gz AEZAIXFETVBIDA-LBPRGKRZSA-N -1 1 365.411 0.694 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCc2ncn(C)n2)c1F ZINC000599340786 492162499 /nfs/dbraw/zinc/16/24/99/492162499.db2.gz QDPTVZZMKNLPQB-UHFFFAOYSA-N -1 1 374.369 0.791 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1F ZINC000599340704 492162657 /nfs/dbraw/zinc/16/26/57/492162657.db2.gz YMEGQJFLOYHDGS-AWEZNQCLSA-N -1 1 365.354 0.571 10 0 FCAEMM Cn1c2ncn(CCC(=O)Nc3c([O-])cccc3F)c2c(=O)n(C)c1=O ZINC000608365194 492174201 /nfs/dbraw/zinc/17/42/01/492174201.db2.gz AUTHMUGGYRXNQV-UHFFFAOYSA-N -1 1 361.333 0.307 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000599456087 492174812 /nfs/dbraw/zinc/17/48/12/492174812.db2.gz IUXUFUQXCZLBKG-MELADBBJSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000599476730 492178302 /nfs/dbraw/zinc/17/83/02/492178302.db2.gz IHDOAWJFIVXHTR-UHFFFAOYSA-N -1 1 354.837 0.749 10 0 FCAEMM CO[C@@]1(CO)CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000617796444 492192027 /nfs/dbraw/zinc/19/20/27/492192027.db2.gz URCITFVNXLBCOF-SFHVURJKSA-N -1 1 362.430 0.984 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1cccs1 ZINC000610135078 492235594 /nfs/dbraw/zinc/23/55/94/492235594.db2.gz OYDSAXOWBALVMF-SNVBAGLBSA-N -1 1 355.459 0.316 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CCF)C2)o1 ZINC000618691509 492235794 /nfs/dbraw/zinc/23/57/94/492235794.db2.gz QUIJVWUCJJKRDG-JTQLQIEISA-N -1 1 361.395 0.255 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cccc(OCC)n1 ZINC000611026033 492276057 /nfs/dbraw/zinc/27/60/57/492276057.db2.gz ISSZUSVUTDCLML-UHFFFAOYSA-N -1 1 368.415 0.901 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)o1 ZINC000620098884 492288232 /nfs/dbraw/zinc/28/82/32/492288232.db2.gz YSMYCWQXGBAZRU-NSHDSACASA-N -1 1 370.431 0.208 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000641984561 492326965 /nfs/dbraw/zinc/32/69/65/492326965.db2.gz XPLRIVIDTJRFKG-AWEZNQCLSA-N -1 1 356.382 0.387 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000647658929 492341743 /nfs/dbraw/zinc/34/17/43/492341743.db2.gz AGGWTPIOZXBDSW-GFCCVEGCSA-N -1 1 360.370 0.920 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305742 492373044 /nfs/dbraw/zinc/37/30/44/492373044.db2.gz HLYVMQKADDAZDV-NSHDSACASA-N -1 1 357.413 0.513 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(c2nncn2C)CC1 ZINC000655291350 492425086 /nfs/dbraw/zinc/42/50/86/492425086.db2.gz JQDOMOASTXQYLG-UHFFFAOYSA-N -1 1 370.417 0.072 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000622079748 492451674 /nfs/dbraw/zinc/45/16/74/492451674.db2.gz AWINNXPJCAUYHF-SQWLQELKSA-N -1 1 374.441 0.983 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000622146539 492459354 /nfs/dbraw/zinc/45/93/54/492459354.db2.gz XKUQHYWXDLJEES-NWDGAFQWSA-N -1 1 351.384 0.186 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000622146539 492459356 /nfs/dbraw/zinc/45/93/56/492459356.db2.gz XKUQHYWXDLJEES-NWDGAFQWSA-N -1 1 351.384 0.186 10 0 FCAEMM CN1CC[C@@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)S1(=O)=O ZINC000648851920 492466499 /nfs/dbraw/zinc/46/64/99/492466499.db2.gz FGDVANMJNLAJMP-NSHDSACASA-N -1 1 365.408 0.170 10 0 FCAEMM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871287 492491800 /nfs/dbraw/zinc/49/18/00/492491800.db2.gz WZFYLKMNWAQILO-UHFFFAOYSA-N -1 1 368.397 0.756 10 0 FCAEMM CN1CC[C@@H](C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)S1(=O)=O ZINC000649216072 492510551 /nfs/dbraw/zinc/51/05/51/492510551.db2.gz IACVJWRVYPBHFT-JTQLQIEISA-N -1 1 371.806 0.803 10 0 FCAEMM CN1CC[C@@H](C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)S1(=O)=O ZINC000649216072 492510555 /nfs/dbraw/zinc/51/05/55/492510555.db2.gz IACVJWRVYPBHFT-JTQLQIEISA-N -1 1 371.806 0.803 10 0 FCAEMM COc1cc2[nH]cc(C(=O)NC[C@H](O)[C@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600970 492529194 /nfs/dbraw/zinc/52/91/94/492529194.db2.gz HUBRVNAYWPSNRI-UONOGXRCSA-N -1 1 362.382 0.815 10 0 FCAEMM CN(C)CCN1C[C@H](C(=O)N=c2nc(C3CCOCC3)[n-]s2)CC1=O ZINC000629100133 492577894 /nfs/dbraw/zinc/57/78/94/492577894.db2.gz GOWKUCJSPYOEJI-GFCCVEGCSA-N -1 1 367.475 0.203 10 0 FCAEMM NS(=O)(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000629189160 492589751 /nfs/dbraw/zinc/58/97/51/492589751.db2.gz UDBHMGUGEJYROU-UHFFFAOYSA-N -1 1 367.349 0.809 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCn3c4ccccc4n(C)c3=O)nc2n1 ZINC000643909051 492600795 /nfs/dbraw/zinc/60/07/95/492600795.db2.gz CHCCUUUTFRWIAR-UHFFFAOYSA-N -1 1 367.369 0.408 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(N4CCCC4=O)cc3)nc2n1 ZINC000643909032 492600805 /nfs/dbraw/zinc/60/08/05/492600805.db2.gz ASABCYWWVWYBKL-UHFFFAOYSA-N -1 1 352.354 0.527 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)CCOCC1 ZINC000650164957 492617751 /nfs/dbraw/zinc/61/77/51/492617751.db2.gz FMLZNOPHGFNQNO-AWEZNQCLSA-N -1 1 359.448 0.999 10 0 FCAEMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)NCC1COC1 ZINC000629628209 492660566 /nfs/dbraw/zinc/66/05/66/492660566.db2.gz CWVQJHXWQYUUQA-UHFFFAOYSA-N -1 1 370.399 0.155 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1CN2CCN1CC2)c1ncccc1Br ZINC000656940830 492674596 /nfs/dbraw/zinc/67/45/96/492674596.db2.gz SIEMDOXDUGYWGX-SNVBAGLBSA-N -1 1 361.265 0.122 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)c1ncccc1Br)S(C)(=O)=O ZINC000656943305 492675015 /nfs/dbraw/zinc/67/50/15/492675015.db2.gz LZHUEMMDCOYTMK-SSDOTTSWSA-N -1 1 357.251 0.556 10 0 FCAEMM O=C1C[C@H]([N-]S(=O)(=O)c2ncccc2Br)CN1C1CC1 ZINC000656928110 492670733 /nfs/dbraw/zinc/67/07/33/492670733.db2.gz QHYFMFFGWBSFPR-QMMMGPOBSA-N -1 1 360.233 0.886 10 0 FCAEMM O=S(=O)([N-]C[C@H]1CN2CCN1CC2)c1ncccc1Br ZINC000656940829 492674672 /nfs/dbraw/zinc/67/46/72/492674672.db2.gz SIEMDOXDUGYWGX-JTQLQIEISA-N -1 1 361.265 0.122 10 0 FCAEMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1ncccc1Br)C2 ZINC000657022291 492697428 /nfs/dbraw/zinc/69/74/28/492697428.db2.gz KCAHNNYPRZDXSN-QMMMGPOBSA-N -1 1 372.248 0.808 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CO)C2CCC2)c(F)c1 ZINC000657057990 492705494 /nfs/dbraw/zinc/70/54/94/492705494.db2.gz YEEYRABNSVZMOE-LBPRGKRZSA-N -1 1 366.436 0.637 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC000625195018 492737670 /nfs/dbraw/zinc/73/76/70/492737670.db2.gz ORGGPKJRALLWSX-CHWSQXEVSA-N -1 1 358.391 0.060 10 0 FCAEMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)n1 ZINC000625273842 492749387 /nfs/dbraw/zinc/74/93/87/492749387.db2.gz AZBHESMUHAYTEF-UHFFFAOYSA-N -1 1 362.314 0.291 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000630712706 492768413 /nfs/dbraw/zinc/76/84/13/492768413.db2.gz KMQQEUNCMPSHDT-CQSZACIVSA-N -1 1 364.837 0.975 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000630840894 492778418 /nfs/dbraw/zinc/77/84/18/492778418.db2.gz GQCHSYPZQYBPQE-UHFFFAOYSA-N -1 1 374.836 0.778 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)[n-]1 ZINC000651563874 492783393 /nfs/dbraw/zinc/78/33/93/492783393.db2.gz KJXQUQRECVOPDU-AWEZNQCLSA-N -1 1 358.446 0.856 10 0 FCAEMM CN(C(=O)CN1CCN(C(=O)CCc2nn[n-]n2)CC1)C1CCCCC1 ZINC000630922176 492784605 /nfs/dbraw/zinc/78/46/05/492784605.db2.gz KGPYATBQHDYBCD-UHFFFAOYSA-N -1 1 363.466 0.068 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)[n-]1 ZINC000651579942 492785671 /nfs/dbraw/zinc/78/56/71/492785671.db2.gz VCEWNEZGSNDUQF-UHFFFAOYSA-N -1 1 372.364 0.460 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)[n-]1 ZINC000651579942 492785677 /nfs/dbraw/zinc/78/56/77/492785677.db2.gz VCEWNEZGSNDUQF-UHFFFAOYSA-N -1 1 372.364 0.460 10 0 FCAEMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1=O ZINC000632047981 492918897 /nfs/dbraw/zinc/91/88/97/492918897.db2.gz XFBBQKOMGZJJLT-CSMHCCOUSA-N -1 1 352.338 0.716 10 0 FCAEMM COCCN1CCCN(S(=O)(=O)c2cc(OC)ccc2[O-])CC1=O ZINC000632265431 492960794 /nfs/dbraw/zinc/96/07/94/492960794.db2.gz WYYGVGZWGUWNOE-UHFFFAOYSA-N -1 1 358.416 0.270 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1nc(C(F)(F)F)no1 ZINC000632479833 493005790 /nfs/dbraw/zinc/00/57/90/493005790.db2.gz KKWLOKNYECCJOX-JGVFFNPUSA-N -1 1 358.342 0.399 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCOC[C@@H]2c2ccnn2C)c1 ZINC000632514758 493018690 /nfs/dbraw/zinc/01/86/90/493018690.db2.gz XCEOPHAEYXYTTA-CYBMUJFWSA-N -1 1 353.400 0.897 10 0 FCAEMM COCCN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C(C)(C)C1 ZINC000652926156 493044802 /nfs/dbraw/zinc/04/48/02/493044802.db2.gz NIPJXNCXILKUJG-UHFFFAOYSA-N -1 1 361.402 0.619 10 0 FCAEMM CN1C[C@@H](N[C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CCC1=O ZINC000653285366 493090172 /nfs/dbraw/zinc/09/01/72/493090172.db2.gz MRFLRRHPRYASHW-UONOGXRCSA-N -1 1 359.382 0.223 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1c(C(N)=O)[nH]nc1C(C)C)C1CCOCC1 ZINC000647134207 493169733 /nfs/dbraw/zinc/16/97/33/493169733.db2.gz OCBJPPZECPPOPW-NSHDSACASA-N -1 1 374.463 0.815 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1cnccc1-n1ccnn1)C1CCOCC1 ZINC000647275713 493189259 /nfs/dbraw/zinc/18/92/59/493189259.db2.gz BMMIIUMQWLBTKY-HNNXBMFYSA-N -1 1 367.431 0.846 10 0 FCAEMM CN1C(=O)N=NC1C[N-]S(=O)(=O)c1sccc1Br ZINC000641653688 493270738 /nfs/dbraw/zinc/27/07/38/493270738.db2.gz LTIRTVKOUBYIJT-UHFFFAOYSA-N -1 1 353.223 0.823 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)O)cc1[N-]S(C)(=O)=O ZINC000682198224 493277884 /nfs/dbraw/zinc/27/78/84/493277884.db2.gz BLAYRAKZRMZVLM-SECBINFHSA-N -1 1 373.431 0.281 10 0 FCAEMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659778144 493288997 /nfs/dbraw/zinc/28/89/97/493288997.db2.gz AWTCQKGAQQEWRE-PJYBLOJUSA-N -1 1 372.381 0.241 10 0 FCAEMM CCOc1cccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)n1 ZINC000675486810 493484351 /nfs/dbraw/zinc/48/43/51/493484351.db2.gz NQMGXTQBDJNQSD-UHFFFAOYSA-N -1 1 353.400 0.954 10 0 FCAEMM CS(=O)(=O)c1cccc(OCCN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000662220214 493497559 /nfs/dbraw/zinc/49/75/59/493497559.db2.gz VPEZICVFKZIYIL-MLGOLLRUSA-N -1 1 355.412 0.502 10 0 FCAEMM CC(C)CN1CCO[C@@H](CNC(=O)CN(CC(=O)[O-])CC(C)(C)C)C1 ZINC000662224414 493498760 /nfs/dbraw/zinc/49/87/60/493498760.db2.gz BRYCZXSLBAJVAR-HNNXBMFYSA-N -1 1 357.495 0.892 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)sc1C ZINC000676416561 493550399 /nfs/dbraw/zinc/55/03/99/493550399.db2.gz OOQJLOUDYSMMLE-LBPRGKRZSA-N -1 1 359.473 0.818 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)c3c[n-]n4c3nccc4=O)ccn2)CC1 ZINC000670459933 493569954 /nfs/dbraw/zinc/56/99/54/493569954.db2.gz JZVWTPQIDRRIOG-UHFFFAOYSA-N -1 1 367.413 0.099 10 0 FCAEMM Cc1nc2nc(S(=O)(=O)Cc3nnn(C)n3)[n-]c2cc1Br ZINC000663244376 493579488 /nfs/dbraw/zinc/57/94/88/493579488.db2.gz KAVASRJASYHSHM-UHFFFAOYSA-N -1 1 372.208 0.526 10 0 FCAEMM Cc1[n-]c2nc(S(=O)(=O)Cc3nnn(C)n3)nc-2cc1Br ZINC000663244376 493579491 /nfs/dbraw/zinc/57/94/91/493579491.db2.gz KAVASRJASYHSHM-UHFFFAOYSA-N -1 1 372.208 0.526 10 0 FCAEMM CN(C)S(=O)(=O)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000680210014 493710848 /nfs/dbraw/zinc/71/08/48/493710848.db2.gz CAGDRNHMOIAHLH-UHFFFAOYSA-N -1 1 354.428 0.705 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)o1 ZINC000672184653 493741327 /nfs/dbraw/zinc/74/13/27/493741327.db2.gz YSMOBMYJVCTBFH-VXNVDRBHSA-N -1 1 356.322 0.980 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)co1 ZINC000672186917 493741492 /nfs/dbraw/zinc/74/14/92/493741492.db2.gz OSMWOAOEGAQYLM-CBAPKCEASA-N -1 1 356.322 0.980 10 0 FCAEMM CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000411659002 528054804 /nfs/dbraw/zinc/05/48/04/528054804.db2.gz NWRCBJBMGDHGLA-ZDUSSCGKSA-N -1 1 365.434 0.491 10 0 FCAEMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC(C)(C)C1 ZINC000413982197 529085876 /nfs/dbraw/zinc/08/58/76/529085876.db2.gz BMTCHFZDJKNLJS-UHFFFAOYSA-N -1 1 357.432 0.694 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](C)[C@H]2C(=O)[O-])C1 ZINC000424267905 535118111 /nfs/dbraw/zinc/11/81/11/535118111.db2.gz KSHZZHKYPJUWRV-UXLLHSPISA-N -1 1 355.479 0.645 10 0 FCAEMM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000436363242 536652437 /nfs/dbraw/zinc/65/24/37/536652437.db2.gz AZDOHGKMDZQZNJ-ZDUSSCGKSA-N -1 1 374.397 0.357 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000593524320 546714102 /nfs/dbraw/zinc/71/41/02/546714102.db2.gz DGAWFBLCHYSCJZ-HNNXBMFYSA-N -1 1 371.455 0.886 10 0 FCAEMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)s1 ZINC000593632057 546724778 /nfs/dbraw/zinc/72/47/78/546724778.db2.gz IKBHSAAUXVAMKO-SSDOTTSWSA-N -1 1 369.392 0.723 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594744004 546818770 /nfs/dbraw/zinc/81/87/70/546818770.db2.gz FWGVVVLAJAQLSX-HRCADAONSA-N -1 1 371.455 0.742 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CCSC1 ZINC000594767639 546821303 /nfs/dbraw/zinc/82/13/03/546821303.db2.gz UQULIZJFXYUUIU-LOWVWBTDSA-N -1 1 353.462 0.006 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(F)cc1)c1ccnn1C ZINC000594793425 546825119 /nfs/dbraw/zinc/82/51/19/546825119.db2.gz GTKWPXOJOVCDRZ-CQSZACIVSA-N -1 1 355.391 0.935 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCNC2=O)c1F ZINC000594791186 546825498 /nfs/dbraw/zinc/82/54/98/546825498.db2.gz MBQUBIADFSUTPH-QMMMGPOBSA-N -1 1 350.755 0.433 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)[C@H]1CCOC1 ZINC000594779969 546833328 /nfs/dbraw/zinc/83/33/28/546833328.db2.gz ZTVAEIPGUTVYHQ-MJBXVCDLSA-N -1 1 351.465 0.934 10 0 FCAEMM CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000373116136 546896694 /nfs/dbraw/zinc/89/66/94/546896694.db2.gz RZGXDISANSPHLX-LLVKDONJSA-N -1 1 358.464 0.842 10 0 FCAEMM CCCC(=O)NCC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000373073675 546897594 /nfs/dbraw/zinc/89/75/94/546897594.db2.gz GFUVZBMBTHIVLL-UHFFFAOYSA-N -1 1 351.407 0.604 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)n1 ZINC000553371527 547378357 /nfs/dbraw/zinc/37/83/57/547378357.db2.gz MIDIOCRDQXDXGG-UHFFFAOYSA-N -1 1 362.396 1.046 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)n[n-]1 ZINC000725894119 664225541 /nfs/dbraw/zinc/22/55/41/664225541.db2.gz RWTJFCUFHNNABK-UHFFFAOYSA-N -1 1 364.412 0.935 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)n1 ZINC000725894119 664225544 /nfs/dbraw/zinc/22/55/44/664225544.db2.gz RWTJFCUFHNNABK-UHFFFAOYSA-N -1 1 364.412 0.935 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000047429085 664905422 /nfs/dbraw/zinc/90/54/22/664905422.db2.gz JPXVKOKTVGNXJV-UHFFFAOYSA-N -1 1 351.262 0.177 10 0 FCAEMM O=C(CN1CCCc2ccccc21)NN/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000028978067 665000843 /nfs/dbraw/zinc/00/08/43/665000843.db2.gz PHJLMOKBWOSPPR-UHFFFAOYSA-N -1 1 359.411 0.315 10 0 FCAEMM O=C(CN1CCCc2ccccc21)NN/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000028978067 665000844 /nfs/dbraw/zinc/00/08/44/665000844.db2.gz PHJLMOKBWOSPPR-UHFFFAOYSA-N -1 1 359.411 0.315 10 0 FCAEMM O=C(CN1CCCc2ccccc21)NNC=C1C(=O)[N-]C(=S)NC1=O ZINC000028978067 665000845 /nfs/dbraw/zinc/00/08/45/665000845.db2.gz PHJLMOKBWOSPPR-UHFFFAOYSA-N -1 1 359.411 0.315 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1=COCC1 ZINC000727765514 665068271 /nfs/dbraw/zinc/06/82/71/665068271.db2.gz IJCAXTSREKPOPN-UHFFFAOYSA-N -1 1 354.384 0.656 10 0 FCAEMM COC(=O)[C@](C)(CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000909583690 665161072 /nfs/dbraw/zinc/16/10/72/665161072.db2.gz ZEPPGVPYQGWZRS-NSHDSACASA-N -1 1 367.146 0.976 10 0 FCAEMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866918499 665164287 /nfs/dbraw/zinc/16/42/87/665164287.db2.gz APJZRNDQIKIXCU-NSHDSACASA-N -1 1 373.353 0.685 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000866960878 665249527 /nfs/dbraw/zinc/24/95/27/665249527.db2.gz VPTKQQPSOSQDEM-MCMMXHMISA-N -1 1 359.473 0.853 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475374 666132562 /nfs/dbraw/zinc/13/25/62/666132562.db2.gz JEHRZVDXGVSATM-SECBINFHSA-N -1 1 374.348 0.854 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23C[C@H]2CCCC3)CC1 ZINC000908734655 666216533 /nfs/dbraw/zinc/21/65/33/666216533.db2.gz XGSBHMZVJARGGC-QAPCUYQASA-N -1 1 352.479 0.910 10 0 FCAEMM COCC(C)(C)N1CCN(C(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC000909851111 666233644 /nfs/dbraw/zinc/23/36/44/666233644.db2.gz LRVUXCDPZSFCJN-UHFFFAOYSA-N -1 1 352.435 0.931 10 0 FCAEMM CSC[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)C(=O)[O-] ZINC000910878118 666286669 /nfs/dbraw/zinc/28/66/69/666286669.db2.gz NQAGLFRFRXGKKU-HNNXBMFYSA-N -1 1 351.472 0.980 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCCN2CCSC[C@@H]12 ZINC000921321881 666432922 /nfs/dbraw/zinc/43/29/22/666432922.db2.gz KYYHYCQLXJDCOJ-RYUDHWBXSA-N -1 1 355.551 0.908 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000921322287 666433064 /nfs/dbraw/zinc/43/30/64/666433064.db2.gz PUMQQDUAFVVVMH-VXGBXAGGSA-N -1 1 360.457 0.924 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000921378094 666442036 /nfs/dbraw/zinc/44/20/36/666442036.db2.gz NMUCPZFRYLIPQN-STQMWFEESA-N -1 1 369.505 0.642 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000921407963 666446088 /nfs/dbraw/zinc/44/60/88/666446088.db2.gz OLCSRMVIXFRRON-JTQLQIEISA-N -1 1 366.436 0.997 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCS(=O)(=O)C1 ZINC000921466068 666449190 /nfs/dbraw/zinc/44/91/90/666449190.db2.gz SPRSMLAHXIMGBY-GFCCVEGCSA-N -1 1 373.374 0.586 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCS(=O)(=O)C1 ZINC000921467085 666450015 /nfs/dbraw/zinc/45/00/15/666450015.db2.gz ODGQOYCFYZMJAZ-GFCCVEGCSA-N -1 1 371.839 0.961 10 0 FCAEMM CNS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]NC(=O)c2ccoc2)c1 ZINC000061501111 666595829 /nfs/dbraw/zinc/59/58/29/666595829.db2.gz JSLKRPJKNPHYSI-UHFFFAOYSA-N -1 1 357.775 0.916 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cn(C)nn2)c(Br)n1C ZINC000720613732 674759505 /nfs/dbraw/zinc/75/95/05/674759505.db2.gz BKLZNEQGHPQTCO-ZCFIWIBFSA-N -1 1 363.241 0.659 10 0 FCAEMM CC[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000733959714 666944622 /nfs/dbraw/zinc/94/46/22/666944622.db2.gz DASLIUUCPQAIPF-OAQYLSRUSA-N -1 1 350.462 0.855 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCCC1(OC)OC)[C@H]1CCOC1 ZINC000918062091 667098606 /nfs/dbraw/zinc/09/86/06/667098606.db2.gz ZHRUFKPEGVUPNK-MJBXVCDLSA-N -1 1 351.465 0.889 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c1C(F)(F)F ZINC000918264740 667107944 /nfs/dbraw/zinc/10/79/44/667107944.db2.gz BTKRXVOGKSAIIW-UHFFFAOYSA-N -1 1 368.381 0.580 10 0 FCAEMM CCS(=O)(=O)NCc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC000736663099 667126636 /nfs/dbraw/zinc/12/66/36/667126636.db2.gz CJHRZYKCVPRWND-UHFFFAOYSA-N -1 1 364.431 0.448 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1c(Cl)ccnc1Cl ZINC000918979756 667145603 /nfs/dbraw/zinc/14/56/03/667145603.db2.gz JFGAUXVDGUSOJB-VIFPVBQESA-N -1 1 370.258 0.360 10 0 FCAEMM Cn1cc(C(=O)C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cn1 ZINC000921680493 667232227 /nfs/dbraw/zinc/23/22/27/667232227.db2.gz FPNQQOVJYSPSBI-UHFFFAOYSA-N -1 1 351.310 0.334 10 0 FCAEMM CN(C)Cc1csc(C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)n1 ZINC000921081527 667267461 /nfs/dbraw/zinc/26/74/61/667267461.db2.gz IODSNTYDMULIAR-FQEVSTJZSA-N -1 1 355.511 0.114 10 0 FCAEMM COCCN(CC(=O)NC1(c2nn[n-]n2)CCC1)C(=O)OC(C)(C)C ZINC000736989866 667475719 /nfs/dbraw/zinc/47/57/19/667475719.db2.gz JPBQZTOYTBCSJM-UHFFFAOYSA-N -1 1 354.411 0.579 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC000921855497 667521026 /nfs/dbraw/zinc/52/10/26/667521026.db2.gz GKXJIWMQQWDQEW-OLZOCXBDSA-N -1 1 373.441 0.511 10 0 FCAEMM CC(C)c1ccc(S(=O)(=O)NCCC(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000752700010 667525885 /nfs/dbraw/zinc/52/58/85/667525885.db2.gz XLJRFCCFQNNFFI-UHFFFAOYSA-N -1 1 368.415 0.061 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3nnn(C)c3C2)c(F)c1 ZINC000922043482 667573532 /nfs/dbraw/zinc/57/35/32/667573532.db2.gz ACARBMWQYSTXIT-MRVPVSSYSA-N -1 1 358.370 0.938 10 0 FCAEMM CN(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C(=O)OCc1ccccc1 ZINC000757666436 667731368 /nfs/dbraw/zinc/73/13/68/667731368.db2.gz RWUFPLZUVNWSOW-UHFFFAOYSA-N -1 1 367.387 0.415 10 0 FCAEMM CN(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C(=O)OCc1ccccc1 ZINC000757666436 667731371 /nfs/dbraw/zinc/73/13/71/667731371.db2.gz RWUFPLZUVNWSOW-UHFFFAOYSA-N -1 1 367.387 0.415 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cnc(I)c(O)c1 ZINC000923141656 667808631 /nfs/dbraw/zinc/80/86/31/667808631.db2.gz AJVUHZQNONNPEH-RQJHMYQMSA-N -1 1 362.123 0.985 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000866988294 667943255 /nfs/dbraw/zinc/94/32/55/667943255.db2.gz NTVKVJSQXORMME-IUCAKERBSA-N -1 1 356.370 0.436 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000774261020 668141575 /nfs/dbraw/zinc/14/15/75/668141575.db2.gz FAZPMOSSSCVSRC-DEOSSOPVSA-N -1 1 362.293 0.082 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCCOC2)c(=O)[nH]c1=O ZINC000769651171 668146220 /nfs/dbraw/zinc/14/62/20/668146220.db2.gz AYMGPJOGVUZEKL-LBPRGKRZSA-N -1 1 359.448 0.987 10 0 FCAEMM C[C@@H]1CCCN1S(=O)(=O)NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769869975 668159636 /nfs/dbraw/zinc/15/96/36/668159636.db2.gz FCTJIDBEHQOKQO-SECBINFHSA-N -1 1 369.451 0.933 10 0 FCAEMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000775586055 668222539 /nfs/dbraw/zinc/22/25/39/668222539.db2.gz SARVODFFUVBRKA-XUIVZRPNSA-N -1 1 364.217 0.873 10 0 FCAEMM C[C@H]1CCN(CC(=O)N2CCOCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785695 668726020 /nfs/dbraw/zinc/72/60/20/668726020.db2.gz LRLYWYHIHMZQNZ-GVXVVHGQSA-N -1 1 351.369 0.623 10 0 FCAEMM CCNC(=O)NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788661 668734889 /nfs/dbraw/zinc/73/48/89/668734889.db2.gz LMHUOAHJOAPIJE-QXEWZRGKSA-N -1 1 352.357 0.610 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN(C(=O)OCC)C2)n[n-]1 ZINC000787906497 668813722 /nfs/dbraw/zinc/81/37/22/668813722.db2.gz QIHIODZJYGSUOZ-JTQLQIEISA-N -1 1 353.379 0.466 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN(C(=O)OCC)C2)n1 ZINC000787906497 668813724 /nfs/dbraw/zinc/81/37/24/668813724.db2.gz QIHIODZJYGSUOZ-JTQLQIEISA-N -1 1 353.379 0.466 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN(C(=O)OCC)C2)n[n-]1 ZINC000787906501 668813814 /nfs/dbraw/zinc/81/38/14/668813814.db2.gz QIHIODZJYGSUOZ-SNVBAGLBSA-N -1 1 353.379 0.466 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN(C(=O)OCC)C2)n1 ZINC000787906501 668813815 /nfs/dbraw/zinc/81/38/15/668813815.db2.gz QIHIODZJYGSUOZ-SNVBAGLBSA-N -1 1 353.379 0.466 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CO)COC2)c(F)cc1Cl ZINC000795892182 669069247 /nfs/dbraw/zinc/06/92/47/669069247.db2.gz ABKDVTVIEKWANY-UHFFFAOYSA-N -1 1 367.782 0.553 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCCOCCO)c(F)cc1Cl ZINC000795920571 669071705 /nfs/dbraw/zinc/07/17/05/669071705.db2.gz VJGRVKJHTKHQAI-UHFFFAOYSA-N -1 1 369.798 0.943 10 0 FCAEMM NS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000798286820 669222737 /nfs/dbraw/zinc/22/27/37/669222737.db2.gz FXMOMZTVRCQPCD-UHFFFAOYSA-N -1 1 353.322 0.372 10 0 FCAEMM Cn1cc(C[C@H](O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC000799018947 669275973 /nfs/dbraw/zinc/27/59/73/669275973.db2.gz DXAJFODRNNNCHX-LBPRGKRZSA-N -1 1 362.352 0.241 10 0 FCAEMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806696011 669433188 /nfs/dbraw/zinc/43/31/88/669433188.db2.gz XZNUDTRVLKXABL-MRVPVSSYSA-N -1 1 373.435 0.650 10 0 FCAEMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806696011 669433192 /nfs/dbraw/zinc/43/31/92/669433192.db2.gz XZNUDTRVLKXABL-MRVPVSSYSA-N -1 1 373.435 0.650 10 0 FCAEMM Cc1c(Br)cncc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826834722 669520052 /nfs/dbraw/zinc/52/00/52/669520052.db2.gz VOVLSKFUAFQEMF-SNVBAGLBSA-N -1 1 353.180 0.879 10 0 FCAEMM Cc1nc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(=O)[nH]c1C ZINC000812279092 669794556 /nfs/dbraw/zinc/79/45/56/669794556.db2.gz LVFQKIMNVCIYKR-SNVBAGLBSA-N -1 1 360.336 0.917 10 0 FCAEMM CC1=NO[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000831243065 669837116 /nfs/dbraw/zinc/83/71/16/669837116.db2.gz DWZWFPQTPSDMTI-CQSZACIVSA-N -1 1 369.399 0.516 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCO1 ZINC000867146328 670018194 /nfs/dbraw/zinc/01/81/94/670018194.db2.gz PWSUIQCWMUABPX-SECBINFHSA-N -1 1 356.370 0.438 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]Cc2nnc3n2CCCC3)c1C(F)(F)F ZINC000867177605 670051960 /nfs/dbraw/zinc/05/19/60/670051960.db2.gz WCQHMTZZUCGXHI-UHFFFAOYSA-N -1 1 364.353 0.845 10 0 FCAEMM O=C([N-]CC1CCN(S(=O)(=O)c2c[nH]c(=O)s2)CC1)C(F)(F)F ZINC000867225632 670091949 /nfs/dbraw/zinc/09/19/49/670091949.db2.gz ZJIALOMKSMEIKF-UHFFFAOYSA-N -1 1 373.378 0.928 10 0 FCAEMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C(C)(C)c1cn(C)nn1 ZINC000842825667 670740575 /nfs/dbraw/zinc/74/05/75/670740575.db2.gz WMTBMFXRQQWGCO-UHFFFAOYSA-N -1 1 356.408 0.237 10 0 FCAEMM CC(CO)(CO)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000867307012 670745723 /nfs/dbraw/zinc/74/57/23/670745723.db2.gz UURKKUQLFFJZMW-UHFFFAOYSA-N -1 1 357.201 0.252 10 0 FCAEMM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cn1 ZINC000843014060 670766148 /nfs/dbraw/zinc/76/61/48/670766148.db2.gz JFVSFCNWPLOMRT-UHFFFAOYSA-N -1 1 355.416 0.412 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCC1 ZINC000843017735 670767945 /nfs/dbraw/zinc/76/79/45/670767945.db2.gz AROATIWKAKNZMW-GFCCVEGCSA-N -1 1 359.492 0.564 10 0 FCAEMM CC(C)C(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018994 670768604 /nfs/dbraw/zinc/76/86/04/670768604.db2.gz XQXGOIKSTCNHIR-AWEZNQCLSA-N -1 1 373.519 0.954 10 0 FCAEMM CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCc2nn[n-]n2)COC1(C)C ZINC000843795353 670855983 /nfs/dbraw/zinc/85/59/83/670855983.db2.gz FJIFTHAYVBWNCT-SNVBAGLBSA-N -1 1 354.411 0.968 10 0 FCAEMM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000867359449 670926152 /nfs/dbraw/zinc/92/61/52/670926152.db2.gz VLOOQKZCPBBIFG-GHMZBOCLSA-N -1 1 366.233 0.637 10 0 FCAEMM Cn1[n-]c(COC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)nc1=O ZINC000845319326 670988190 /nfs/dbraw/zinc/98/81/90/670988190.db2.gz FOPSTBROVGCBSK-UHFFFAOYSA-N -1 1 350.322 0.702 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)c1F ZINC000845974849 671059639 /nfs/dbraw/zinc/05/96/39/671059639.db2.gz CPAQBPPNWKOAQY-QMMMGPOBSA-N -1 1 369.317 0.931 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000848633699 671287092 /nfs/dbraw/zinc/28/70/92/671287092.db2.gz XACFKBNAATZWJI-GMTAPVOTSA-N -1 1 365.352 0.292 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000849369037 671329431 /nfs/dbraw/zinc/32/94/31/671329431.db2.gz WSGLHEYFEVKSSZ-GJZGRUSLSA-N -1 1 357.428 0.701 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)c1Cl ZINC000849424326 671341480 /nfs/dbraw/zinc/34/14/80/671341480.db2.gz XVMTWGADERWEAD-SNVBAGLBSA-N -1 1 354.819 0.940 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)c1Cl ZINC000849447313 671347271 /nfs/dbraw/zinc/34/72/71/671347271.db2.gz LWNRHPXBPYCRSO-CYBMUJFWSA-N -1 1 365.839 0.853 10 0 FCAEMM CC[NH+](CC)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704388 671462388 /nfs/dbraw/zinc/46/23/88/671462388.db2.gz WBDSHEICKSSEIC-GXSJLCMTSA-N -1 1 353.341 0.451 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000851800319 671468719 /nfs/dbraw/zinc/46/87/19/671468719.db2.gz YVMRPGSNSZCILL-JTQLQIEISA-N -1 1 358.372 0.636 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccon1 ZINC000852737408 671522255 /nfs/dbraw/zinc/52/22/55/671522255.db2.gz SJOMYCLZXFBUSA-GMSGAONNSA-N -1 1 364.280 0.209 10 0 FCAEMM CN(Cc1nc(=O)n(C)[n-]1)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000852765717 671524674 /nfs/dbraw/zinc/52/46/74/671524674.db2.gz RLZWWLMALQQUDM-MRVPVSSYSA-N -1 1 353.345 0.996 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])ncn1 ZINC000852958130 671533998 /nfs/dbraw/zinc/53/39/98/671533998.db2.gz DRABEWKELALLQX-WCBMZHEXSA-N -1 1 360.292 0.521 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])on1 ZINC000852958200 671534039 /nfs/dbraw/zinc/53/40/39/671534039.db2.gz GGQKVDBYCDNEID-KOLCDFICSA-N -1 1 363.292 0.648 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000858769288 671775887 /nfs/dbraw/zinc/77/58/87/671775887.db2.gz CHFOOFCYFUEOIS-ZYUZMQFOSA-N -1 1 350.341 0.491 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nc(N(C)C)no1 ZINC000859114443 671794500 /nfs/dbraw/zinc/79/45/00/671794500.db2.gz ISJFYPFTPUBCFO-CYBMUJFWSA-N -1 1 372.422 0.952 10 0 FCAEMM CCn1ncc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)n1 ZINC000859251784 671804601 /nfs/dbraw/zinc/80/46/01/671804601.db2.gz ITAZHDNPURHVSJ-UHFFFAOYSA-N -1 1 360.342 0.841 10 0 FCAEMM C[C@H](CN(C)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1nn[nH]n1 ZINC000860786026 671916357 /nfs/dbraw/zinc/91/63/57/671916357.db2.gz RHYJHCOIUBVTHY-SSDOTTSWSA-N -1 1 360.296 0.847 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)c3ccccc32)CCC1 ZINC000860847029 671921345 /nfs/dbraw/zinc/92/13/45/671921345.db2.gz HKGOKWLFZMYQKC-AWEZNQCLSA-N -1 1 365.455 0.444 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000861139352 671938632 /nfs/dbraw/zinc/93/86/32/671938632.db2.gz UAHDPDARHGHMBO-BDAKNGLRSA-N -1 1 374.381 0.703 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861139353 671938799 /nfs/dbraw/zinc/93/87/99/671938799.db2.gz UAHDPDARHGHMBO-IUCAKERBSA-N -1 1 374.381 0.703 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CCOC(=O)N2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000861725933 671987468 /nfs/dbraw/zinc/98/74/68/671987468.db2.gz CQKGKJHYVXOZQS-XKNYDFJKSA-N -1 1 351.325 0.789 10 0 FCAEMM COC(=O)[C@@H](F)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000861954204 672011222 /nfs/dbraw/zinc/01/12/22/672011222.db2.gz SFWSBQCXEAZDAB-JTQLQIEISA-N -1 1 352.318 0.786 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-] ZINC000863416387 672123752 /nfs/dbraw/zinc/12/37/52/672123752.db2.gz DXUMOWFTZLBTNJ-ZETCQYMHSA-N -1 1 352.390 0.086 10 0 FCAEMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866558330 672282422 /nfs/dbraw/zinc/28/24/22/672282422.db2.gz ZTWOVADJDYVWIX-IPQOISQHSA-N -1 1 359.473 0.989 10 0 FCAEMM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(I)cc1[O-] ZINC000866820247 672312782 /nfs/dbraw/zinc/31/27/82/672312782.db2.gz PDTPUYLWEKLNMS-QMMMGPOBSA-N -1 1 374.134 0.532 10 0 FCAEMM CN1C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CCC1=O ZINC000866823873 672313590 /nfs/dbraw/zinc/31/35/90/672313590.db2.gz PUMXHHCZBHVZFL-STFLBKPXSA-N -1 1 363.436 0.738 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)nc1F ZINC000867503432 672327097 /nfs/dbraw/zinc/32/70/97/672327097.db2.gz DZMNIZBFTCTHGH-LBPRGKRZSA-N -1 1 354.787 0.320 10 0 FCAEMM COc1ccc(CN2CC[C@H]2C[N-]S(=O)(=O)N=S(C)(C)=O)cc1 ZINC000867558826 672336682 /nfs/dbraw/zinc/33/66/82/672336682.db2.gz BVGGJWCCZGYDGW-ZDUSSCGKSA-N -1 1 361.489 0.832 10 0 FCAEMM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCCOC1 ZINC000867660935 672353452 /nfs/dbraw/zinc/35/34/52/672353452.db2.gz AZZGLNCSMJIUTF-CYBMUJFWSA-N -1 1 365.839 0.712 10 0 FCAEMM CCO[C@H](CS(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000867900484 672380231 /nfs/dbraw/zinc/38/02/31/672380231.db2.gz RLQQLVXWTNIMNM-LLVKDONJSA-N -1 1 358.382 0.742 10 0 FCAEMM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000869993276 672459877 /nfs/dbraw/zinc/45/98/77/672459877.db2.gz ZSPWERXVIHBGIO-BMIGLBTASA-N -1 1 350.400 0.811 10 0 FCAEMM O=C([N-]OCCCC(F)(F)F)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000871210786 672536196 /nfs/dbraw/zinc/53/61/96/672536196.db2.gz AAZUZIKSMDIVPF-GFCCVEGCSA-N -1 1 367.368 0.557 10 0 FCAEMM COC[C@@]1(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CNCCO1 ZINC000871669889 672565830 /nfs/dbraw/zinc/56/58/30/672565830.db2.gz ZUZFUJKSQBZGDI-MAUKXSAKSA-N -1 1 350.415 0.584 10 0 FCAEMM CC(C)O[C@]1(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCOC1 ZINC000925763664 673800123 /nfs/dbraw/zinc/80/01/23/673800123.db2.gz BPVFARILDBGVPM-AWEZNQCLSA-N -1 1 367.368 0.890 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000927938808 673891837 /nfs/dbraw/zinc/89/18/37/673891837.db2.gz HYYWIFVTYPHPTG-BXUZGUMPSA-N -1 1 353.394 0.772 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1)C(=O)[O-] ZINC000927940702 673891900 /nfs/dbraw/zinc/89/19/00/673891900.db2.gz HVMDINPKZSOHPR-ZDUSSCGKSA-N -1 1 371.503 0.691 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000927940968 673892038 /nfs/dbraw/zinc/89/20/38/673892038.db2.gz AVOGNHWMXKMRBX-ZDUSSCGKSA-N -1 1 353.394 0.601 10 0 FCAEMM CO[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)[C@@](C)(C(=O)[O-])C1 ZINC000929063268 673937636 /nfs/dbraw/zinc/93/76/36/673937636.db2.gz JJQXULRYCYHLNB-VPWBDBDCSA-N -1 1 357.476 0.840 10 0 FCAEMM CC[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[NH+](C)C ZINC000902065996 675825016 /nfs/dbraw/zinc/82/50/16/675825016.db2.gz OKTTUIDATSNWMI-AEJSXWLSSA-N -1 1 353.341 0.449 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277996150 1178845703 /nfs/dbraw/zinc/84/57/03/1178845703.db2.gz ZSCRNTHHVLGOLM-UHFFFAOYSA-N -1 1 353.382 0.867 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719833780 1186169301 /nfs/dbraw/zinc/16/93/01/1186169301.db2.gz YSJODUQOIGOJKN-RNJOBUHISA-N -1 1 360.414 0.564 10 0 FCAEMM CN1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1c1ccccc1 ZINC000759952342 1186352697 /nfs/dbraw/zinc/35/26/97/1186352697.db2.gz HIBSBKBIYSROPQ-GOEBONIOSA-N -1 1 352.398 0.633 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001670797705 1187679943 /nfs/dbraw/zinc/67/99/43/1187679943.db2.gz LSRVLRPKJKEAAG-WBMJQRKESA-N -1 1 359.430 0.576 10 0 FCAEMM CC(C)N(CCS(C)(=O)=O)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687390802 1188352441 /nfs/dbraw/zinc/35/24/41/1188352441.db2.gz KKZOOIXXAUFUGG-UHFFFAOYSA-N -1 1 372.447 0.220 10 0 FCAEMM O=C(CCCF)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001719922699 1191215330 /nfs/dbraw/zinc/21/53/30/1191215330.db2.gz WWLYDDDUWQSWMA-FOGDFJRCSA-N -1 1 362.365 0.029 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000908727971 1195764453 /nfs/dbraw/zinc/76/44/53/1195764453.db2.gz ZBYYSMBOMZIWCS-HNNXBMFYSA-N -1 1 370.494 0.535 10 0 FCAEMM CCN1CCN(CC(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)CC1 ZINC000913559807 1196889370 /nfs/dbraw/zinc/88/93/70/1196889370.db2.gz PSPGHXQZPXOJQN-OAHLLOKOSA-N -1 1 358.446 0.548 10 0 FCAEMM COCCN(CC(=O)NC1(c2nn[n-]n2)CCCC1)C(=O)OC(C)(C)C ZINC000736163194 1197920990 /nfs/dbraw/zinc/92/09/90/1197920990.db2.gz XHYYZQKMTPSTFK-UHFFFAOYSA-N -1 1 368.438 0.969 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000738540384 1197999578 /nfs/dbraw/zinc/99/95/78/1197999578.db2.gz LQLGLDMOBNIJQX-UHFFFAOYSA-N -1 1 373.413 0.169 10 0 FCAEMM COc1c(C)[nH]cc(CN(C)C(=O)CNC(=O)c2ncccc2[O-])c1=O ZINC001168969315 1199041960 /nfs/dbraw/zinc/04/19/60/1199041960.db2.gz BLUMSMVOBFZWHQ-UHFFFAOYSA-N -1 1 360.370 0.181 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cccc(N3CCOC3=O)c2)n[n-]1 ZINC000787916295 1200920581 /nfs/dbraw/zinc/92/05/81/1200920581.db2.gz ULMQBSWCRGTJKH-UHFFFAOYSA-N -1 1 359.342 0.868 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(N3CCOC3=O)c2)n1 ZINC000787916295 1200920588 /nfs/dbraw/zinc/92/05/88/1200920588.db2.gz ULMQBSWCRGTJKH-UHFFFAOYSA-N -1 1 359.342 0.868 10 0 FCAEMM CCNC(=O)N(C)c1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000794110285 1201284215 /nfs/dbraw/zinc/28/42/15/1201284215.db2.gz AIRUZQQOFMTPSC-UHFFFAOYSA-N -1 1 359.386 0.731 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492437 1202741772 /nfs/dbraw/zinc/74/17/72/1202741772.db2.gz GQHMCJSXZZDOIH-NWDGAFQWSA-N -1 1 361.402 0.916 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)ccnc1-2 ZINC000806493085 1202742030 /nfs/dbraw/zinc/74/20/30/1202742030.db2.gz SORXFCJIHVZPRW-CQSZACIVSA-N -1 1 358.402 0.243 10 0 FCAEMM Cn1ccnc1CN1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806490934 1202742080 /nfs/dbraw/zinc/74/20/80/1202742080.db2.gz AJNKASBFZGFRAH-UHFFFAOYSA-N -1 1 354.418 0.425 10 0 FCAEMM COCc1nc([C@H]2COCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)no1 ZINC000806482246 1202744740 /nfs/dbraw/zinc/74/47/40/1202744740.db2.gz LYSYPRLMVGIABY-GFCCVEGCSA-N -1 1 373.373 0.477 10 0 FCAEMM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807318798 1202820455 /nfs/dbraw/zinc/82/04/55/1202820455.db2.gz JXYHXQAEHWJCJG-KCJUWKMLSA-N -1 1 371.319 0.459 10 0 FCAEMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(N3CCN(C)CC3)n2)C1=O ZINC000813548365 1202998543 /nfs/dbraw/zinc/99/85/43/1202998543.db2.gz YSOSMUWGSBXZLT-KRWDZBQOSA-N -1 1 360.418 0.199 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCOC[C@H]3CC3CCC3)ccnc1-2 ZINC000815885797 1203056287 /nfs/dbraw/zinc/05/62/87/1203056287.db2.gz BVINEERKKRWXQL-CYBMUJFWSA-N -1 1 357.414 0.698 10 0 FCAEMM O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000816492667 1203068965 /nfs/dbraw/zinc/06/89/65/1203068965.db2.gz YUEJHAZSHHWWPQ-UHFFFAOYSA-N -1 1 357.349 0.853 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000817653991 1203111186 /nfs/dbraw/zinc/11/11/86/1203111186.db2.gz DNLILRXCHHYGRQ-UHFFFAOYSA-N -1 1 359.386 0.647 10 0 FCAEMM C[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C(=O)OC(C)(C)C ZINC000819682370 1203167743 /nfs/dbraw/zinc/16/77/43/1203167743.db2.gz YPNOGAFTVBSIFF-TZMCWYRMSA-N -1 1 365.430 0.896 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc3c2NC(=O)CO3)n[n-]1 ZINC001146866116 1204744913 /nfs/dbraw/zinc/74/49/13/1204744913.db2.gz NFAQDHFJKSAUKW-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccc3c2NC(=O)CO3)[n-]1 ZINC001146866116 1204744918 /nfs/dbraw/zinc/74/49/18/1204744918.db2.gz NFAQDHFJKSAUKW-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccc3c2NC(=O)CO3)n1 ZINC001146866116 1204744924 /nfs/dbraw/zinc/74/49/24/1204744924.db2.gz NFAQDHFJKSAUKW-MRVPVSSYSA-N -1 1 359.342 0.803 10 0 FCAEMM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001174940354 1206297399 /nfs/dbraw/zinc/29/73/99/1206297399.db2.gz DRYHPFOJLMSIJO-CQSZACIVSA-N -1 1 368.397 0.425 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC001176593811 1206315410 /nfs/dbraw/zinc/31/54/10/1206315410.db2.gz JHYFMXRVWQYTHT-UHFFFAOYSA-N -1 1 355.402 0.938 10 0 FCAEMM COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)c1cnncc1[O-])C(=O)N2 ZINC001179167551 1206376316 /nfs/dbraw/zinc/37/63/16/1206376316.db2.gz LXIXQEYEWFUPIW-ZDUSSCGKSA-N -1 1 356.338 0.652 10 0 FCAEMM CCOC(=O)c1cccc2nc(NC(=O)[C@H](CO)NC(=O)C(C)C)[nH]c21 ZINC001180282365 1206392872 /nfs/dbraw/zinc/39/28/72/1206392872.db2.gz OMSYPCMSMSJBPU-LBPRGKRZSA-N -1 1 362.386 0.811 10 0 FCAEMM Cc1ccn(C[C@H](C)C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)n1 ZINC001489268737 1208706958 /nfs/dbraw/zinc/70/69/58/1208706958.db2.gz QYKSURNODCFKCE-YUTCNCBUSA-N -1 1 361.450 0.029 10 0 FCAEMM C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001489446664 1208861936 /nfs/dbraw/zinc/86/19/36/1208861936.db2.gz UKBXUHMVIOKRSX-VXGBXAGGSA-N -1 1 362.430 0.526 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC[C@H]1CCCO1 ZINC001489506760 1208864810 /nfs/dbraw/zinc/86/48/10/1208864810.db2.gz QRQMCTLMPBUCOM-UMVBOHGHSA-N -1 1 363.414 0.702 10 0 FCAEMM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)C(F)(F)F ZINC001489575648 1208954522 /nfs/dbraw/zinc/95/45/22/1208954522.db2.gz BCPXREKPGYZUMU-KKZNHRDASA-N -1 1 361.320 0.677 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001489983082 1209195500 /nfs/dbraw/zinc/19/55/00/1209195500.db2.gz BKEDCCKJWLYENH-NTZNESFSSA-N -1 1 360.418 0.573 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCS(C)(=O)=O)CCN1C(=O)c1ncccc1[O-] ZINC001490005616 1209208389 /nfs/dbraw/zinc/20/83/89/1209208389.db2.gz HWVXOXNJCJZGFH-NWDGAFQWSA-N -1 1 369.443 0.331 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000851703277 1209516785 /nfs/dbraw/zinc/51/67/85/1209516785.db2.gz OUKSMBMLXNGGME-KOLCDFICSA-N -1 1 374.319 0.635 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1cnccn1 ZINC000852959191 1209579585 /nfs/dbraw/zinc/57/95/85/1209579585.db2.gz XYRQENRZQFFPFO-BMPPAVAUSA-N -1 1 372.303 0.613 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C\c1cnccn1 ZINC000852959190 1209579874 /nfs/dbraw/zinc/57/98/74/1209579874.db2.gz XYRQENRZQFFPFO-BCEXGZMNSA-N -1 1 372.303 0.613 10 0 FCAEMM CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000856411182 1209710818 /nfs/dbraw/zinc/71/08/18/1209710818.db2.gz SQBUFSZMITVVNV-ZDUSSCGKSA-N -1 1 374.445 0.173 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3N3CCOCC3)nc2n1 ZINC000857622154 1209755985 /nfs/dbraw/zinc/75/59/85/1209755985.db2.gz PPYZMYTWNYJMQF-UHFFFAOYSA-N -1 1 354.370 0.815 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)nn1 ZINC000857691491 1209757882 /nfs/dbraw/zinc/75/78/82/1209757882.db2.gz DXKQOZDMJPWCTE-UHFFFAOYSA-N -1 1 362.365 0.828 10 0 FCAEMM NC(=O)[C@@H](NC(=O)c1cnncc1[O-])c1cccc(Br)c1 ZINC001626118805 1210038533 /nfs/dbraw/zinc/03/85/33/1210038533.db2.gz MZWNRJRNDLPZRE-NSHDSACASA-N -1 1 351.160 0.901 10 0 FCAEMM O=C(COCC(F)F)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001490835671 1211825540 /nfs/dbraw/zinc/82/55/40/1211825540.db2.gz HFGVJFJUSICZHT-MXWKQRLJSA-N -1 1 355.341 0.931 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000749986265 1219834285 /nfs/dbraw/zinc/83/42/85/1219834285.db2.gz VFGMVNTZCUIXDV-MEDUHNTESA-N -1 1 366.422 0.747 10 0 FCAEMM O=C([O-])[C@]12CN(C(=O)C3CCC(N4CCOCC4)CC3)C[C@H]1COCC2 ZINC001119579656 1221935437 /nfs/dbraw/zinc/93/54/37/1221935437.db2.gz CVCQULQYDONNDB-ICIBYLBGSA-N -1 1 366.458 0.827 10 0 FCAEMM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000831748824 1222506484 /nfs/dbraw/zinc/50/64/84/1222506484.db2.gz OQSPLJXAGDWQNH-AWEZNQCLSA-N -1 1 370.335 0.874 10 0 FCAEMM Cn1c(=O)n2c(c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1)CCCC2 ZINC000837825296 1222659013 /nfs/dbraw/zinc/65/90/13/1222659013.db2.gz GBRDAUAQKDBKCQ-UHFFFAOYSA-N -1 1 357.366 0.637 10 0 FCAEMM Cc1nccn1-c1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC001141957227 1222800750 /nfs/dbraw/zinc/80/07/50/1222800750.db2.gz VFKQRMJNULETAN-UHFFFAOYSA-N -1 1 366.381 0.723 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC2(CC(=O)N2)CC1 ZINC001142751085 1222849145 /nfs/dbraw/zinc/84/91/45/1222849145.db2.gz GPCPAKLYZICFRD-UHFFFAOYSA-N -1 1 367.409 0.976 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001162925728 1223221607 /nfs/dbraw/zinc/22/16/07/1223221607.db2.gz JRGZOBUCMQKZPN-UKRRQHHQSA-N -1 1 356.382 0.949 10 0 FCAEMM CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001166767431 1223285396 /nfs/dbraw/zinc/28/53/96/1223285396.db2.gz JCKIIXRTHMJDGO-INIZCTEOSA-N -1 1 373.365 0.799 10 0 FCAEMM CN(C)C(=O)c1cccc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001327913290 1265451826 /nfs/dbraw/zinc/45/18/26/1265451826.db2.gz MNAHICHXOZUFMW-FZKQIMNGSA-N -1 1 361.398 0.360 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3cn(C)nn3)CC2)n1 ZINC001328675588 1265595388 /nfs/dbraw/zinc/59/53/88/1265595388.db2.gz BFDLZDQAHXBWGF-UHFFFAOYSA-N -1 1 361.406 0.449 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCNC(=O)NC ZINC001519770741 1265768665 /nfs/dbraw/zinc/76/86/65/1265768665.db2.gz PCVRWKGFGCETRQ-NWDGAFQWSA-N -1 1 363.418 0.216 10 0 FCAEMM Cn1nncc1C1(O)CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC001520487928 1265924263 /nfs/dbraw/zinc/92/42/63/1265924263.db2.gz ZMNNNTRAMBFSEC-UHFFFAOYSA-N -1 1 353.176 0.627 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)COC[C@@H]2CCCO2)CCN1C(=O)c1ncccc1[O-] ZINC001520829059 1266014465 /nfs/dbraw/zinc/01/44/65/1266014465.db2.gz CTOMEOPGOLZURO-RDBSUJKOSA-N -1 1 363.414 0.702 10 0 FCAEMM C[C@@H](C(=O)[N-]OCCN1CCCC1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001168627455 1259390379 /nfs/dbraw/zinc/39/03/79/1259390379.db2.gz PYABHUNBYJYCLN-OLZOCXBDSA-N -1 1 373.450 0.521 10 0 FCAEMM CCCC(=O)NCC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001521964999 1266263998 /nfs/dbraw/zinc/26/39/98/1266263998.db2.gz OCCNEOZIUMUBIX-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC001331736053 1266275231 /nfs/dbraw/zinc/27/52/31/1266275231.db2.gz GRNLZEDJNAOQKJ-KSSFIOAISA-N -1 1 367.398 0.813 10 0 FCAEMM COc1cc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)ccc1C ZINC001335428454 1259659846 /nfs/dbraw/zinc/65/98/46/1259659846.db2.gz FNQDYNLDYGTGNO-LJQANCHMSA-N -1 1 362.426 0.934 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1cnnn1C ZINC001521989198 1266281550 /nfs/dbraw/zinc/28/15/50/1266281550.db2.gz XHPASLOIUJZPAH-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)Cn1cncn1 ZINC001251306300 1259743635 /nfs/dbraw/zinc/74/36/35/1259743635.db2.gz DLPVTGRLKYKDLN-NSHDSACASA-N -1 1 353.386 0.892 10 0 FCAEMM CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001335764231 1259828472 /nfs/dbraw/zinc/82/84/72/1259828472.db2.gz MLGJKTXXJGKQPI-LSDHHAIUSA-N -1 1 372.368 0.639 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC[C@H]2CC(C)(C)CO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264729597 1260405742 /nfs/dbraw/zinc/40/57/42/1260405742.db2.gz XJAYCKPPMBLHJO-RDBSUJKOSA-N -1 1 365.478 0.783 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001338164072 1260576668 /nfs/dbraw/zinc/57/66/68/1260576668.db2.gz PYBDVTMHZWEPKD-IBGZPJMESA-N -1 1 370.409 0.701 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@@H]1O ZINC001281865448 1261243258 /nfs/dbraw/zinc/24/32/58/1261243258.db2.gz CILJNJJWQXWNLC-UHTWSYAYSA-N -1 1 364.446 0.962 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C2(NC(N)=O)CC2)CCN1C(=O)c1ncccc1[O-] ZINC001282254443 1261391651 /nfs/dbraw/zinc/39/16/51/1261391651.db2.gz ZUCFFUQESFIAFV-WDEREUQCSA-N -1 1 361.402 0.097 10 0 FCAEMM COC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001282306728 1261410642 /nfs/dbraw/zinc/41/06/42/1261410642.db2.gz MFDORWDMRGXYMY-VNHYZAJKSA-N -1 1 363.414 0.369 10 0 FCAEMM COC(=O)CCCO[N-]C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001472107391 1261437269 /nfs/dbraw/zinc/43/72/69/1261437269.db2.gz AFLNFHRFWFBHMZ-NEPJUHHUSA-N -1 1 362.423 0.851 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CS(=O)(=O)NC(C)(C)C)[n-]c1=O ZINC001472259310 1261455037 /nfs/dbraw/zinc/45/50/37/1261455037.db2.gz XPTSRALYPGMSOJ-JTQLQIEISA-N -1 1 372.447 0.572 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001472381812 1261461592 /nfs/dbraw/zinc/46/15/92/1261461592.db2.gz COORLJRGVKOMKV-GZMMTYOYSA-N -1 1 367.353 0.100 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CNC(=O)c4ccccc43)nc2n1 ZINC001287285908 1261950627 /nfs/dbraw/zinc/95/06/27/1261950627.db2.gz MWBNJVUROJSDLI-LBPRGKRZSA-N -1 1 352.354 0.446 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(c4ccccn4)=NO3)nc2n1 ZINC001287286014 1261951168 /nfs/dbraw/zinc/95/11/68/1261951168.db2.gz RTJCAKUFMMBQSC-GFCCVEGCSA-N -1 1 353.342 0.507 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(c4ccccn4)=NO3)nc2n1 ZINC001287286015 1261951310 /nfs/dbraw/zinc/95/13/10/1261951310.db2.gz RTJCAKUFMMBQSC-LBPRGKRZSA-N -1 1 353.342 0.507 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)c1ncccc1[O-] ZINC001288073416 1261993591 /nfs/dbraw/zinc/99/35/91/1261993591.db2.gz LOFRDIFIFSQITI-ZENOOKHLSA-N -1 1 363.414 0.151 10 0 FCAEMM O=C(NCC1CC1)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001290119371 1262382585 /nfs/dbraw/zinc/38/25/85/1262382585.db2.gz BSXOJZGTDSUAIF-QWHCGFSZSA-N -1 1 360.414 0.328 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC001290221955 1262403656 /nfs/dbraw/zinc/40/36/56/1262403656.db2.gz SFNGPOIYSBUNNJ-UHFFFAOYSA-N -1 1 359.426 0.893 10 0 FCAEMM O=C(Cn1cnc(NC(=O)c2cnncc2[O-])n1)NCc1ccccc1 ZINC001292503433 1262697502 /nfs/dbraw/zinc/69/75/02/1262697502.db2.gz DPAUTJACALLDNZ-UHFFFAOYSA-N -1 1 353.342 0.342 10 0 FCAEMM COC(=O)CN1CCN(c2ccc(NC(=O)CCc3nn[n-]n3)cc2)CC1 ZINC001293194964 1262712535 /nfs/dbraw/zinc/71/25/35/1262712535.db2.gz SUIXSAFGNNNUHP-UHFFFAOYSA-N -1 1 373.417 0.066 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001293325214 1262714527 /nfs/dbraw/zinc/71/45/27/1262714527.db2.gz QKPJLCYAVXRWBG-UHFFFAOYSA-N -1 1 354.370 0.405 10 0 FCAEMM Cn1cc(N2C[C@H](C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CCC2=O)cn1 ZINC001297779861 1262893107 /nfs/dbraw/zinc/89/31/07/1262893107.db2.gz GZUPFBWTNUKJGN-GFCCVEGCSA-N -1 1 374.401 0.658 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H](O)c1cccnc1 ZINC001302365130 1263045680 /nfs/dbraw/zinc/04/56/80/1263045680.db2.gz XPEWPFHLHRFFBG-LSDHHAIUSA-N -1 1 358.350 0.751 10 0 FCAEMM Cn1cc(-c2n[nH]cc2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001302842075 1263061258 /nfs/dbraw/zinc/06/12/58/1263061258.db2.gz IHTAOBRVCBBRBU-UHFFFAOYSA-N -1 1 355.358 0.309 10 0 FCAEMM C[C@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)N1Cc2ccccc2C1=O ZINC001302842785 1263063647 /nfs/dbraw/zinc/06/36/47/1263063647.db2.gz UASBOCIZHHOGQU-LLVKDONJSA-N -1 1 368.393 0.916 10 0 FCAEMM CCCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC ZINC001479631321 1263278296 /nfs/dbraw/zinc/27/82/96/1263278296.db2.gz LVLARRKTWDTIBF-HZSPNIEDSA-N -1 1 353.467 0.783 10 0 FCAEMM CCO[C@@H](CC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C(C)C ZINC001479708676 1263365226 /nfs/dbraw/zinc/36/52/26/1263365226.db2.gz IJBKQSSCMSNSRX-RDBSUJKOSA-N -1 1 353.467 0.639 10 0 FCAEMM CCCN(CCNC(=O)[C@]12C[C@H]1COC2)Cc1cc(=O)n2[n-]ccc2n1 ZINC001317541232 1263516708 /nfs/dbraw/zinc/51/67/08/1263516708.db2.gz WBABQBLITZVMPY-UGSOOPFHSA-N -1 1 359.430 0.387 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)n1 ZINC001318338042 1263564085 /nfs/dbraw/zinc/56/40/85/1263564085.db2.gz KUFWGTWZTCFLJT-UHFFFAOYSA-N -1 1 373.398 0.919 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)n[n-]1 ZINC001318338042 1263564090 /nfs/dbraw/zinc/56/40/90/1263564090.db2.gz KUFWGTWZTCFLJT-UHFFFAOYSA-N -1 1 373.398 0.919 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c([O-])c1 ZINC001320764814 1263855860 /nfs/dbraw/zinc/85/58/60/1263855860.db2.gz WVGFSYNKZLNOCD-UHFFFAOYSA-N -1 1 370.413 0.564 10 0 FCAEMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001498466003 1263975342 /nfs/dbraw/zinc/97/53/42/1263975342.db2.gz SJQACSWIUJZQSF-BYCMXARLSA-N -1 1 361.421 0.988 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001510602561 1264504963 /nfs/dbraw/zinc/50/49/63/1264504963.db2.gz KCXGAEMPYYNGQL-MYFIVHGGSA-N -1 1 360.414 0.673 10 0 FCAEMM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ncccc1[O-] ZINC001510908146 1264517091 /nfs/dbraw/zinc/51/70/91/1264517091.db2.gz DXXAXASWWKHWLJ-MELADBBJSA-N -1 1 356.382 0.193 10 0 FCAEMM COc1cc(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc(OC)c1OC ZINC001324024517 1264564217 /nfs/dbraw/zinc/56/42/17/1264564217.db2.gz QFRHOXLWONFOLD-UHFFFAOYSA-N -1 1 373.369 0.933 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCc1ccn(C)n1 ZINC001513219118 1264969213 /nfs/dbraw/zinc/96/92/13/1264969213.db2.gz VFIMUHKTMJNMHV-TZMCWYRMSA-N -1 1 357.414 0.730 10 0 FCAEMM O=C(CC1(n2cnnn2)CCOCC1)OCC(=O)c1ccc([O-])cc1O ZINC001327193307 1265250905 /nfs/dbraw/zinc/25/09/05/1265250905.db2.gz FQYMZVONNGLDKK-UHFFFAOYSA-N -1 1 362.342 0.406 10 0 FCAEMM CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001522234081 1266431584 /nfs/dbraw/zinc/43/15/84/1266431584.db2.gz SMIFGLYSIVNFFN-MXWKQRLJSA-N -1 1 364.402 0.948 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC001333317793 1266577517 /nfs/dbraw/zinc/57/75/17/1266577517.db2.gz ZYSSJXQUAZUVRT-HRCADAONSA-N -1 1 368.478 0.288 10 0 FCAEMM CN1CCN(c2ncccc2CNC(=O)N[C@@](C)(CCF)C(=O)[O-])CC1 ZINC001333317196 1266578038 /nfs/dbraw/zinc/57/80/38/1266578038.db2.gz CHWYVBRCSKBNNJ-KRWDZBQOSA-N -1 1 367.425 0.836 10 0 FCAEMM CN(CCNS(C)(=O)=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001333645228 1266664916 /nfs/dbraw/zinc/66/49/16/1266664916.db2.gz OUXFSVHMLRKJOT-UHFFFAOYSA-N -1 1 351.375 0.404 10 0 FCAEMM CC1(C)CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)CCS1 ZINC001526302943 1266798173 /nfs/dbraw/zinc/79/81/73/1266798173.db2.gz IVMUPDKCKOYGMN-JTQLQIEISA-N -1 1 350.452 0.827 10 0 FCAEMM CC1(C)CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)CCS1 ZINC001526302943 1266798179 /nfs/dbraw/zinc/79/81/79/1266798179.db2.gz IVMUPDKCKOYGMN-JTQLQIEISA-N -1 1 350.452 0.827 10 0 FCAEMM O=C(c1nn2c(c1Br)CCC2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001528713876 1266991281 /nfs/dbraw/zinc/99/12/81/1266991281.db2.gz WPLPXOWLZXUTTD-SSDOTTSWSA-N -1 1 352.196 0.735 10 0 FCAEMM CC[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)NC(=O)[C@@H]1C[C@H]1CC ZINC001531327029 1267132633 /nfs/dbraw/zinc/13/26/33/1267132633.db2.gz WLWHOJLFBWQQTK-KXUCPTDWSA-N -1 1 352.391 0.567 10 0 FCAEMM CC(C)c1nnc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)s1 ZINC001531465514 1267136272 /nfs/dbraw/zinc/13/62/72/1267136272.db2.gz BMTJCCHJKPXOSW-UHFFFAOYSA-N -1 1 356.433 0.744 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001334803324 1267183836 /nfs/dbraw/zinc/18/38/36/1267183836.db2.gz NLJOBEXNQFPUHY-UHFFFAOYSA-N -1 1 350.338 0.791 10 0 FCAEMM CCN1CCN(CC(C)(C)NC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CC1 ZINC001335043025 1267297766 /nfs/dbraw/zinc/29/77/66/1267297766.db2.gz DGPOIYSUGMIGPB-CABCVRRESA-N -1 1 355.479 0.931 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)c2cn(CC(=O)N(C)C)nn2)[n-]c1Cl ZINC001538194189 1267394932 /nfs/dbraw/zinc/39/49/32/1267394932.db2.gz DIEMNFCNTHVZOJ-UHFFFAOYSA-N -1 1 369.769 0.172 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001538790438 1267413966 /nfs/dbraw/zinc/41/39/66/1267413966.db2.gz DUYUGAGSHRZGLX-SGTLLEGYSA-N -1 1 357.414 0.708 10 0 FCAEMM CCOC(=O)[C@@H]1CSCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001540321421 1267444986 /nfs/dbraw/zinc/44/49/86/1267444986.db2.gz LORPFXQQXTYNAY-JTQLQIEISA-N -1 1 353.400 0.024 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001540371224 1267445906 /nfs/dbraw/zinc/44/59/06/1267445906.db2.gz WZEZMVXWSLJRRR-UHFFFAOYSA-N -1 1 362.411 0.470 10 0 FCAEMM COC(=O)c1cc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)oc1C ZINC001540762100 1267463325 /nfs/dbraw/zinc/46/33/25/1267463325.db2.gz HKNLDPRIBQEJOT-UHFFFAOYSA-N -1 1 372.337 0.884 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCN1C(=O)COc2ccccc21 ZINC001542541821 1267498530 /nfs/dbraw/zinc/49/85/30/1267498530.db2.gz LBKKREDFTGYEKH-UHFFFAOYSA-N -1 1 370.365 0.059 10 0 FCAEMM CCn1ncc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1Br ZINC001542946015 1267515675 /nfs/dbraw/zinc/51/56/75/1267515675.db2.gz DDJIRJWXHHVKSK-MRVPVSSYSA-N -1 1 356.184 0.392 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC001545221648 1267608280 /nfs/dbraw/zinc/60/82/80/1267608280.db2.gz WVVMXGCRDSKNQI-KPZWWZAWSA-N -1 1 359.382 0.963 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC001545221651 1267608498 /nfs/dbraw/zinc/60/84/98/1267608498.db2.gz WVVMXGCRDSKNQI-XIKOKIGWSA-N -1 1 359.382 0.963 10 0 FCAEMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001546284883 1267643642 /nfs/dbraw/zinc/64/36/42/1267643642.db2.gz HQASRBLUBDWVJD-LLVKDONJSA-N -1 1 366.418 0.937 10 0 FCAEMM Cn1ncc(C(=O)[O-])c1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC001339151425 1268175803 /nfs/dbraw/zinc/17/58/03/1268175803.db2.gz KCPAXFNDLBDTQF-OAHLLOKOSA-N -1 1 371.441 0.664 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001556806540 1268898682 /nfs/dbraw/zinc/89/86/82/1268898682.db2.gz MYSCASBTDBHYAB-JTQLQIEISA-N -1 1 350.404 0.340 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048760 1269013388 /nfs/dbraw/zinc/01/33/88/1269013388.db2.gz LJOZXOKDATUIKO-LBPRGKRZSA-N -1 1 366.443 0.573 10 0 FCAEMM COC(=O)c1ccc2c(c1)CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001558149082 1269034438 /nfs/dbraw/zinc/03/44/38/1269034438.db2.gz WPSKNQOPCWQCRR-UHFFFAOYSA-N -1 1 369.377 0.889 10 0 FCAEMM c1ccc(CCn2c(-c3nnn[n-]3)nnc2N2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001341500347 1269036137 /nfs/dbraw/zinc/03/61/37/1269036137.db2.gz BYPFJCYDKHNDDO-OKILXGFUSA-N -1 1 352.402 0.784 10 0 FCAEMM c1ccc(CCn2c(-c3nn[n-]n3)nnc2N2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001341500347 1269036144 /nfs/dbraw/zinc/03/61/44/1269036144.db2.gz BYPFJCYDKHNDDO-OKILXGFUSA-N -1 1 352.402 0.784 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001558173414 1269046173 /nfs/dbraw/zinc/04/61/73/1269046173.db2.gz NLFIMZMHSPCDFP-UHFFFAOYSA-N -1 1 364.431 0.616 10 0 FCAEMM CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](COC)c1nn[n-]n1 ZINC001558339578 1269066847 /nfs/dbraw/zinc/06/68/47/1269066847.db2.gz HDNFWVMKUIUEHG-GFCCVEGCSA-N -1 1 353.404 0.283 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CCN2C(=O)C(C)=C(C)C2=O)[n-]c1=O ZINC001558500244 1269101750 /nfs/dbraw/zinc/10/17/50/1269101750.db2.gz OQPPRIHTWDZLDP-UHFFFAOYSA-N -1 1 362.386 0.637 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(N3CCCOC3=O)CC2)co1 ZINC001558604776 1269121541 /nfs/dbraw/zinc/12/15/41/1269121541.db2.gz XMIXPDBVLSBHOS-UHFFFAOYSA-N -1 1 371.415 0.635 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CNC(=O)c2cccc(O)c2)[n-]c1=O ZINC001558703149 1269132584 /nfs/dbraw/zinc/13/25/84/1269132584.db2.gz IPZDWQXWANTVAV-ZDUSSCGKSA-N -1 1 372.381 0.990 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2nn(C)c(C)c2Br)n[n-]1 ZINC001558965819 1269155029 /nfs/dbraw/zinc/15/50/29/1269155029.db2.gz KVYFCAODQRUOTQ-UHFFFAOYSA-N -1 1 371.195 0.716 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2nn(C)c(C)c2Br)n1 ZINC001558965819 1269155031 /nfs/dbraw/zinc/15/50/31/1269155031.db2.gz KVYFCAODQRUOTQ-UHFFFAOYSA-N -1 1 371.195 0.716 10 0 FCAEMM Cc1nnc2n1CCN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)[C@@H]2C ZINC001565248310 1269458940 /nfs/dbraw/zinc/45/89/40/1269458940.db2.gz QGGMZPIDTTWSCV-SECBINFHSA-N -1 1 359.390 0.441 10 0 FCAEMM O=C([C@H]1CC[C@H](Nc2cnccn2)CC1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614559 1269483051 /nfs/dbraw/zinc/48/30/51/1269483051.db2.gz SBGUFMGMYLGSJE-AVGNSLFASA-N -1 1 358.406 0.561 10 0 FCAEMM Cn1cnc(-c2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2)n1 ZINC001567450018 1269695540 /nfs/dbraw/zinc/69/55/40/1269695540.db2.gz PSIQWBYLHAAZKK-UHFFFAOYSA-N -1 1 352.354 0.951 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCO)Cc1cccnc1Cl ZINC001568083769 1269718410 /nfs/dbraw/zinc/71/84/10/1269718410.db2.gz OOXUQYJVGBXBBZ-UHFFFAOYSA-N -1 1 354.750 0.580 10 0 FCAEMM Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ncccc1[O-])C(C)(C)CO ZINC001570784588 1269914824 /nfs/dbraw/zinc/91/48/24/1269914824.db2.gz NOQZRDUIIGJUTK-AWEZNQCLSA-N -1 1 361.402 0.127 10 0 FCAEMM CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001572819038 1270189971 /nfs/dbraw/zinc/18/99/71/1270189971.db2.gz AOOGXBOSWBEJHN-ZIAGYGMSSA-N -1 1 362.430 0.941 10 0 FCAEMM CC(C)(C)OC(=O)c1cnc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cn1 ZINC001344706465 1270227081 /nfs/dbraw/zinc/22/70/81/1270227081.db2.gz LWORWPHRQZWIPK-LLVKDONJSA-N -1 1 361.362 0.159 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC(=O)NC ZINC001344791709 1270244044 /nfs/dbraw/zinc/24/40/44/1270244044.db2.gz YGGCBZYMERTIEO-QWHCGFSZSA-N -1 1 362.430 0.813 10 0 FCAEMM CCOCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](OCC)C1 ZINC001573209705 1270667652 /nfs/dbraw/zinc/66/76/52/1270667652.db2.gz ATEVIVZSXVPZAT-TZMCWYRMSA-N -1 1 351.403 0.417 10 0 FCAEMM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC001573330578 1270748091 /nfs/dbraw/zinc/74/80/91/1270748091.db2.gz HMNDYQHVILTCBA-YUTCNCBUSA-N -1 1 360.414 0.232 10 0 FCAEMM COC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001573723153 1270859827 /nfs/dbraw/zinc/85/98/27/1270859827.db2.gz QXBCONSTDZIODM-IAISJRAMSA-N -1 1 363.414 0.369 10 0 FCAEMM CC(C)CC(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001573873385 1270915337 /nfs/dbraw/zinc/91/53/37/1270915337.db2.gz VRXVVUWJKUFNHI-ZIAGYGMSSA-N -1 1 364.446 0.184 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)Cc2ccc(C(N)=O)nc2)[n-]c1=O ZINC001603346851 1287359368 /nfs/dbraw/zinc/35/93/68/1287359368.db2.gz XKUZKLHRMVLIJL-GFCCVEGCSA-N -1 1 357.370 0.591 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cc(C)c(C(N)=O)cn2)[n-]c1=O ZINC001603346807 1287359795 /nfs/dbraw/zinc/35/97/95/1287359795.db2.gz WJAYDJLYFLWECM-GFCCVEGCSA-N -1 1 357.370 0.970 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)n[n-]1 ZINC001584176612 1282141237 /nfs/dbraw/zinc/14/12/37/1282141237.db2.gz RJABYHFZVOHMFH-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)[n-]1 ZINC001584176612 1282141239 /nfs/dbraw/zinc/14/12/39/1282141239.db2.gz RJABYHFZVOHMFH-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 ZINC001584176612 1282141243 /nfs/dbraw/zinc/14/12/43/1282141243.db2.gz RJABYHFZVOHMFH-JOYOIKCWSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)n[n-]1 ZINC001584176946 1282141307 /nfs/dbraw/zinc/14/13/07/1282141307.db2.gz ZIRHYTZEGFYNFN-GWCFXTLKSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)[n-]1 ZINC001584176946 1282141310 /nfs/dbraw/zinc/14/13/10/1282141310.db2.gz ZIRHYTZEGFYNFN-GWCFXTLKSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](O)Cc2cccc(OC)c2)n1 ZINC001584176946 1282141313 /nfs/dbraw/zinc/14/13/13/1282141313.db2.gz ZIRHYTZEGFYNFN-GWCFXTLKSA-N -1 1 362.386 0.771 10 0 FCAEMM C[C@@H](CN(C)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001632362852 1282170337 /nfs/dbraw/zinc/17/03/37/1282170337.db2.gz BEYAVEBKRLTIGO-ZBEGNZNMSA-N -1 1 368.438 0.524 10 0 FCAEMM C[C@@H](Sc1nc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cs1)C(N)=O ZINC001632363290 1282170862 /nfs/dbraw/zinc/17/08/62/1282170862.db2.gz DVKFQUZLAVYSSA-JGVFFNPUSA-N -1 1 369.476 0.427 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CNC(=O)c2cccs2)n[n-]1 ZINC001632561545 1282185878 /nfs/dbraw/zinc/18/58/78/1282185878.db2.gz ARZMWVJMXHEAIW-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CNC(=O)c2cccs2)[n-]1 ZINC001632561545 1282185880 /nfs/dbraw/zinc/18/58/80/1282185880.db2.gz ARZMWVJMXHEAIW-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CNC(=O)c2cccs2)n1 ZINC001632561545 1282185889 /nfs/dbraw/zinc/18/58/89/1282185889.db2.gz ARZMWVJMXHEAIW-MRVPVSSYSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)n[n-]1 ZINC001632562348 1282186873 /nfs/dbraw/zinc/18/68/73/1282186873.db2.gz MAEGPMFYFCLQSF-GHMZBOCLSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)[n-]1 ZINC001632562348 1282186877 /nfs/dbraw/zinc/18/68/77/1282186877.db2.gz MAEGPMFYFCLQSF-GHMZBOCLSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)CC)n1 ZINC001632562348 1282186882 /nfs/dbraw/zinc/18/68/82/1282186882.db2.gz MAEGPMFYFCLQSF-GHMZBOCLSA-N -1 1 351.407 0.950 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2nccc2N)c1 ZINC001632566545 1282187407 /nfs/dbraw/zinc/18/74/07/1282187407.db2.gz KNEXLDJQAYAVFD-UHFFFAOYSA-N -1 1 367.431 0.840 10 0 FCAEMM O=C(CCCn1cncn1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001632596173 1282189223 /nfs/dbraw/zinc/18/92/23/1282189223.db2.gz WBXAFKJHPRXUAU-UHFFFAOYSA-N -1 1 365.415 0.843 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C1=CCS(=O)(=O)C1 ZINC001632595933 1282189393 /nfs/dbraw/zinc/18/93/93/1282189393.db2.gz QFQFQXGUYABAGJ-UHFFFAOYSA-N -1 1 372.424 0.126 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CC1 ZINC001585195072 1282211275 /nfs/dbraw/zinc/21/12/75/1282211275.db2.gz IHKKTILIMJUIIW-RKDXNWHRSA-N -1 1 350.375 0.321 10 0 FCAEMM Cn1cc(N2C[C@H](C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)CCC2=O)cn1 ZINC001633714892 1282269556 /nfs/dbraw/zinc/26/95/56/1282269556.db2.gz DJAIQPUFNRSGIJ-NWDGAFQWSA-N -1 1 374.401 0.658 10 0 FCAEMM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895529 1282281985 /nfs/dbraw/zinc/28/19/85/1282281985.db2.gz IFOXWNHDELHGTO-ZDUSSCGKSA-N -1 1 365.434 0.376 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OC)co1 ZINC001634287686 1282315797 /nfs/dbraw/zinc/31/57/97/1282315797.db2.gz CNXIWPVAVOMJCN-QWRGUYRKSA-N -1 1 360.388 0.028 10 0 FCAEMM O=C(Cc1c[nH]c2cnc(Cl)cc12)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635006878 1282372990 /nfs/dbraw/zinc/37/29/90/1282372990.db2.gz AHJUPXYWHZGTDL-UHFFFAOYSA-N -1 1 361.793 0.782 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001635086590 1282378027 /nfs/dbraw/zinc/37/80/27/1282378027.db2.gz RGJHCOCMTRNFIH-VXJOIVPMSA-N -1 1 365.415 0.230 10 0 FCAEMM CCC(CC)N1C[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001588027961 1282397969 /nfs/dbraw/zinc/39/79/69/1282397969.db2.gz OFRCOKSHSXKPIV-LLVKDONJSA-N -1 1 362.430 0.908 10 0 FCAEMM C[C@H](Sc1nc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)cs1)C(N)=O ZINC001588221656 1282409246 /nfs/dbraw/zinc/40/92/46/1282409246.db2.gz OWXJLUZMVAKKER-YUMQZZPRSA-N -1 1 367.460 0.181 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC001635611319 1282416510 /nfs/dbraw/zinc/41/65/10/1282416510.db2.gz AQAXHALGONSRGV-SECBINFHSA-N -1 1 369.324 0.756 10 0 FCAEMM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)CCCc3nn[n-]n3)c2)C1=O ZINC001635725873 1282427054 /nfs/dbraw/zinc/42/70/54/1282427054.db2.gz HRHAIARGEWHUEY-LBPRGKRZSA-N -1 1 357.374 0.996 10 0 FCAEMM O=C(CNC(=O)c1cccc(F)c1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636322481 1282486347 /nfs/dbraw/zinc/48/63/47/1282486347.db2.gz SADRYLWJQCBMRT-UHFFFAOYSA-N -1 1 360.345 0.440 10 0 FCAEMM CC(C)(C)N1CCC[C@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1=O ZINC001636327178 1282486778 /nfs/dbraw/zinc/48/67/78/1282486778.db2.gz NCYFPBSTFHIYOA-LLVKDONJSA-N -1 1 362.430 0.908 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(F)ccc1[O-])CCS2(=O)=O ZINC001636696024 1282530612 /nfs/dbraw/zinc/53/06/12/1282530612.db2.gz FTIJIIDSLLCSAP-UTJYPRCQSA-N -1 1 370.402 0.472 10 0 FCAEMM COC(=O)C[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001636864456 1282543839 /nfs/dbraw/zinc/54/38/39/1282543839.db2.gz FBLRXEPOSOGDBE-AWEZNQCLSA-N -1 1 371.393 0.808 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CCS2(=O)=O ZINC001636976215 1282549516 /nfs/dbraw/zinc/54/95/16/1282549516.db2.gz RGDIKOBVSFWMGN-NOEPWBJOSA-N -1 1 368.411 0.416 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCNC(=O)[C@H]1c1ccccc1F ZINC001637141337 1282567001 /nfs/dbraw/zinc/56/70/01/1282567001.db2.gz MKPSTCSFFPWIEQ-MRXNPFEDSA-N -1 1 372.356 0.356 10 0 FCAEMM O=C(c1cnncc1[O-])N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001637574572 1282607424 /nfs/dbraw/zinc/60/74/24/1282607424.db2.gz JYDJXLFHMKIFDV-PRHODGIISA-N -1 1 365.333 0.764 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)n1 ZINC001638577556 1282707226 /nfs/dbraw/zinc/70/72/26/1282707226.db2.gz DELZWFVVVDEHBP-RYUDHWBXSA-N -1 1 358.354 0.902 10 0 FCAEMM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cncc([O-])c1)CCS2(=O)=O ZINC001640208024 1282846487 /nfs/dbraw/zinc/84/64/87/1282846487.db2.gz GQTHZVHRTVPSHV-BWBHSNQOSA-N -1 1 368.411 0.416 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccnc2OCCOC)n[n-]1 ZINC001640226154 1282848461 /nfs/dbraw/zinc/84/84/61/1282848461.db2.gz YJRWHRQMSXEODA-SNVBAGLBSA-N -1 1 363.374 0.893 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccnc2OCCOC)[n-]1 ZINC001640226154 1282848469 /nfs/dbraw/zinc/84/84/69/1282848469.db2.gz YJRWHRQMSXEODA-SNVBAGLBSA-N -1 1 363.374 0.893 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccnc2OCCOC)n1 ZINC001640226154 1282848481 /nfs/dbraw/zinc/84/84/81/1282848481.db2.gz YJRWHRQMSXEODA-SNVBAGLBSA-N -1 1 363.374 0.893 10 0 FCAEMM CS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ncccc2[O-])ccc1F ZINC001640736766 1282894237 /nfs/dbraw/zinc/89/42/37/1282894237.db2.gz UJYDKZMXOXABPK-UHFFFAOYSA-N -1 1 367.358 0.698 10 0 FCAEMM CC(C)(C)OC(=O)NCCc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC001641141971 1282927284 /nfs/dbraw/zinc/92/72/84/1282927284.db2.gz NMHCXQZGVQTLKQ-UHFFFAOYSA-N -1 1 362.386 0.950 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493249 1282956402 /nfs/dbraw/zinc/95/64/02/1282956402.db2.gz JGKXXFWKVXWTKS-TVLCNXBWSA-N -1 1 367.431 0.230 10 0 FCAEMM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001641493192 1282957154 /nfs/dbraw/zinc/95/71/54/1282957154.db2.gz GPNXJLTZRRGJCK-LBPRGKRZSA-N -1 1 357.370 0.661 10 0 FCAEMM CSCC[C@H](NC(=O)[C@]1(C)Oc2ccccc2NC1=O)c1nn[n-]n1 ZINC001641896635 1282979136 /nfs/dbraw/zinc/97/91/36/1282979136.db2.gz LWIUOPZVRCJFHL-ZUZCIYMTSA-N -1 1 362.415 0.900 10 0 FCAEMM CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2nn[n-]n2)c1 ZINC001642357640 1283000597 /nfs/dbraw/zinc/00/05/97/1283000597.db2.gz ZKRDXRZLYNRUIR-UHFFFAOYSA-N -1 1 352.420 0.135 10 0 FCAEMM NS(=O)(=O)N1CCC(NC(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001642514867 1283017605 /nfs/dbraw/zinc/01/76/05/1283017605.db2.gz GBGKRWXIJHIAPG-UHFFFAOYSA-N -1 1 368.390 0.477 10 0 FCAEMM CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001702432533 1285673677 /nfs/dbraw/zinc/67/36/77/1285673677.db2.gz YFSPFRBSMFJQQX-CHWSQXEVSA-N -1 1 350.419 0.270 10 0 FCAEMM O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001702541436 1285711254 /nfs/dbraw/zinc/71/12/54/1285711254.db2.gz FMLGYVGDWFOBPZ-XQQFMLRXSA-N -1 1 360.414 0.471 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC(=O)NCC1CC1 ZINC001702690444 1285788427 /nfs/dbraw/zinc/78/84/27/1285788427.db2.gz IRDUCMNPTDOFDJ-YPMHNXCESA-N -1 1 360.414 0.423 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001702693154 1285790769 /nfs/dbraw/zinc/79/07/69/1285790769.db2.gz OPLBBZKPSDDUQA-WLDGIZNKSA-N -1 1 362.430 0.389 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)OC)o1 ZINC001594684349 1286233089 /nfs/dbraw/zinc/23/30/89/1286233089.db2.gz XBGIGQUATCUDCY-VIFPVBQESA-N -1 1 373.412 0.158 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC001596518674 1286305446 /nfs/dbraw/zinc/30/54/46/1286305446.db2.gz QUNVMNYOWSADDD-SJBBUJNXSA-N -1 1 353.375 0.599 10 0 FCAEMM CNC(=O)CN1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001596936515 1286321125 /nfs/dbraw/zinc/32/11/25/1286321125.db2.gz NDEQEHWPPVNCLB-UHFFFAOYSA-N -1 1 360.389 0.973 10 0 FCAEMM CCn1cc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])nn1 ZINC001597374722 1286341820 /nfs/dbraw/zinc/34/18/20/1286341820.db2.gz CZXKZJYNQIXHSR-UHFFFAOYSA-N -1 1 351.388 0.697 10 0 FCAEMM COC(=O)c1cc(-c2ccccc2CNC(=O)CCc2nn[n-]n2)[nH]n1 ZINC001597879689 1286367490 /nfs/dbraw/zinc/36/74/90/1286367490.db2.gz YSTHGHADIOEEET-UHFFFAOYSA-N -1 1 355.358 0.625 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCCc2ccccn2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707263155 1287118763 /nfs/dbraw/zinc/11/87/63/1287118763.db2.gz FGVYQPVVIUUPQM-HIFRSBDPSA-N -1 1 358.446 0.605 10 0 FCAEMM CCC(CC)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001719154391 1287810798 /nfs/dbraw/zinc/81/07/98/1287810798.db2.gz NBNXUHYFXAECCB-TZMCWYRMSA-N -1 1 364.446 0.326 10 0 FCAEMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CC1 ZINC001732243448 1288580139 /nfs/dbraw/zinc/58/01/39/1288580139.db2.gz CDILNORVHZTELI-PMUMKWKESA-N -1 1 363.462 0.948 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001736505217 1289403496 /nfs/dbraw/zinc/40/34/96/1289403496.db2.gz AFZKHMBKEGGKNU-SVDPJWKOSA-N -1 1 362.365 0.027 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001700726522 1289603476 /nfs/dbraw/zinc/60/34/76/1289603476.db2.gz ARQASJBYUKLYLF-RRFJBIMHSA-N -1 1 363.462 0.900 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1cn(CCO)nc1C1CCOCC1)c1nn[n-]n1 ZINC001611065439 1289627147 /nfs/dbraw/zinc/62/71/47/1289627147.db2.gz PTXIJNCNIHTGTG-NSHDSACASA-N -1 1 363.422 0.158 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C[C@@H](n2cccn2)C(F)(F)F)n[n-]1 ZINC001611154032 1289632796 /nfs/dbraw/zinc/63/27/96/1289632796.db2.gz AVJOBSZWLKABDO-MRVPVSSYSA-N -1 1 360.296 0.988 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](n2cccn2)C(F)(F)F)n1 ZINC001611154032 1289632803 /nfs/dbraw/zinc/63/28/03/1289632803.db2.gz AVJOBSZWLKABDO-MRVPVSSYSA-N -1 1 360.296 0.988 10 0 FCAEMM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001702161023 1289766976 /nfs/dbraw/zinc/76/69/76/1289766976.db2.gz LISOTIJDAZSEQJ-WADSTATCSA-N -1 1 360.414 0.717 10 0 FCAEMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001617281061 1289829731 /nfs/dbraw/zinc/82/97/31/1289829731.db2.gz FYPTWTOISVCXJD-AWEZNQCLSA-N -1 1 372.429 0.579 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[nH]n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001617641946 1289851948 /nfs/dbraw/zinc/85/19/48/1289851948.db2.gz HVJCNCCDMXOKPA-GMTAPVOTSA-N -1 1 366.447 0.459 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001617641946 1289851965 /nfs/dbraw/zinc/85/19/65/1289851965.db2.gz HVJCNCCDMXOKPA-GMTAPVOTSA-N -1 1 366.447 0.459 10 0 FCAEMM CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001739394453 1289905827 /nfs/dbraw/zinc/90/58/27/1289905827.db2.gz YGBXEJNOYJVNAY-MELADBBJSA-N -1 1 360.414 0.375 10 0 FCAEMM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001702254105 1289916246 /nfs/dbraw/zinc/91/62/46/1289916246.db2.gz WHZHBBSVGKETHI-MMIMJOASSA-N -1 1 350.375 0.439 10 0 FCAEMM CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001621862368 1290067135 /nfs/dbraw/zinc/06/71/35/1290067135.db2.gz GXEWMOYSMWHRNF-ZDUSSCGKSA-N -1 1 353.419 0.934 10 0 FCAEMM CCOCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001739502676 1290076099 /nfs/dbraw/zinc/07/60/99/1290076099.db2.gz KHRSTXSENGCAAZ-HZSPNIEDSA-N -1 1 365.430 0.806 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001739505630 1290081786 /nfs/dbraw/zinc/08/17/86/1290081786.db2.gz RTECURPCGAEGOR-MGPQQGTHSA-N -1 1 364.446 0.326 10 0 FCAEMM CC(C)(CC(F)F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001702347737 1290103898 /nfs/dbraw/zinc/10/38/98/1290103898.db2.gz MSDYIRLPYUJIFC-KOLCDFICSA-N -1 1 357.357 0.770 10 0 FCAEMM CCCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001739617667 1290245968 /nfs/dbraw/zinc/24/59/68/1290245968.db2.gz LJJPMCMHCDYYKN-BZPMIXESSA-N -1 1 351.403 0.294 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC001624172370 1290255769 /nfs/dbraw/zinc/25/57/69/1290255769.db2.gz WJWAUCPHCVEDGC-UHFFFAOYSA-N -1 1 358.383 0.916 10 0 FCAEMM CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001624491381 1290276640 /nfs/dbraw/zinc/27/66/40/1290276640.db2.gz RGVSBPXQAHXUBC-UHFFFAOYSA-N -1 1 352.420 0.849 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@]1(O)CCOC1 ZINC001624543177 1290279055 /nfs/dbraw/zinc/27/90/55/1290279055.db2.gz LODXQJAJKPLTRP-HNNXBMFYSA-N -1 1 356.400 0.267 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624780898 1290295885 /nfs/dbraw/zinc/29/58/85/1290295885.db2.gz MZGWBMFDOCDESK-JQWIXIFHSA-N -1 1 371.756 0.512 10 0 FCAEMM COCCNC(=O)C1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001624868293 1290302340 /nfs/dbraw/zinc/30/23/40/1290302340.db2.gz MKYLVDDNGCGEGZ-UHFFFAOYSA-N -1 1 354.432 0.519 10 0 FCAEMM CCO[C@@H](C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-])[C@@H]1CCOC1 ZINC001625730267 1290361608 /nfs/dbraw/zinc/36/16/08/1290361608.db2.gz OHWRSGMECXKTPD-QMTHXVAHSA-N -1 1 358.416 0.680 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3nncn3CC2)c1 ZINC001625730738 1290362350 /nfs/dbraw/zinc/36/23/50/1290362350.db2.gz XATYGPCVFDYJMG-JTQLQIEISA-N -1 1 365.415 0.483 10 0 FCAEMM CC[C@H](C)NC(=O)c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC001625747055 1290363826 /nfs/dbraw/zinc/36/38/26/1290363826.db2.gz ZVYWMTDUFXKMIM-ZDUSSCGKSA-N -1 1 372.425 0.771 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001626362075 1290393230 /nfs/dbraw/zinc/39/32/30/1290393230.db2.gz WZTRCVUJUWTQTO-UHFFFAOYSA-N -1 1 372.453 0.959 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n[n-]1 ZINC001626416617 1290395318 /nfs/dbraw/zinc/39/53/18/1290395318.db2.gz IRLPSMHNDCJHOK-AEZGRPFRSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)[n-]1 ZINC001626416617 1290395324 /nfs/dbraw/zinc/39/53/24/1290395324.db2.gz IRLPSMHNDCJHOK-AEZGRPFRSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n1 ZINC001626416617 1290395337 /nfs/dbraw/zinc/39/53/37/1290395337.db2.gz IRLPSMHNDCJHOK-AEZGRPFRSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n[n-]1 ZINC001626416618 1290395956 /nfs/dbraw/zinc/39/59/56/1290395956.db2.gz IRLPSMHNDCJHOK-SKVAFPRGSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)[n-]1 ZINC001626416618 1290395959 /nfs/dbraw/zinc/39/59/59/1290395959.db2.gz IRLPSMHNDCJHOK-SKVAFPRGSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n1 ZINC001626416618 1290395970 /nfs/dbraw/zinc/39/59/70/1290395970.db2.gz IRLPSMHNDCJHOK-SKVAFPRGSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CN(C)S(=O)(=O)CC)[n-]c1Cl ZINC001626429662 1290397062 /nfs/dbraw/zinc/39/70/62/1290397062.db2.gz JAGZIVSMWORRRA-UHFFFAOYSA-N -1 1 352.800 0.460 10 0 FCAEMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CC(=O)N1 ZINC001626570989 1290404086 /nfs/dbraw/zinc/40/40/86/1290404086.db2.gz ISCBRZLXYGVEQC-HNNXBMFYSA-N -1 1 359.407 0.992 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001739883923 1290419894 /nfs/dbraw/zinc/41/98/94/1290419894.db2.gz IFCFNHKZYPMTLD-RWMBFGLXSA-N -1 1 362.430 0.717 10 0 FCAEMM CCn1c(Br)ncc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001627165686 1290442742 /nfs/dbraw/zinc/44/27/42/1290442742.db2.gz MRLFEAOMQCBCAK-MRVPVSSYSA-N -1 1 356.184 0.392 10 0 FCAEMM C[C@@H]1[C@@H](CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)[C@H](C)Nc2ccnn21 ZINC001627166225 1290443439 /nfs/dbraw/zinc/44/34/39/1290443439.db2.gz ZORLRLJGLHDKHJ-QNWHQSFQSA-N -1 1 360.422 0.768 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(-n2ccnc2)nc1 ZINC001629693264 1290619638 /nfs/dbraw/zinc/61/96/38/1290619638.db2.gz JESPGPIBNMBWPA-UHFFFAOYSA-N -1 1 352.354 0.414 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCC(=O)OCc1ccccc1 ZINC001629828182 1290627604 /nfs/dbraw/zinc/62/76/04/1290627604.db2.gz VHPFCPOOKHRSHP-UHFFFAOYSA-N -1 1 357.366 0.767 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)CCc1nn[n-]n1)[C@H](O)c1ccc(Cl)cc1 ZINC001630008998 1290642062 /nfs/dbraw/zinc/64/20/62/1290642062.db2.gz ZOXHPBDYZKVYGG-UONOGXRCSA-N -1 1 367.793 0.567 10 0 FCAEMM COC1(OC)CCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@@H]1O ZINC001630771249 1290699453 /nfs/dbraw/zinc/69/94/53/1290699453.db2.gz JRPJHZUXCLSCOL-LBPRGKRZSA-N -1 1 371.459 0.727 10 0 FCAEMM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001643132923 1290851085 /nfs/dbraw/zinc/85/10/85/1290851085.db2.gz RYNSVOKXXMCVCH-UHFFFAOYSA-N -1 1 366.422 0.001 10 0 FCAEMM Cn1cc(-c2ncccc2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001643243982 1290865750 /nfs/dbraw/zinc/86/57/50/1290865750.db2.gz CDQHLYXEZHAHAW-UHFFFAOYSA-N -1 1 366.381 0.980 10 0 FCAEMM CCC1(Cn2cc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)nn2)COC1 ZINC001643244531 1290866011 /nfs/dbraw/zinc/86/60/11/1290866011.db2.gz RZXCCROHVAXOJV-UHFFFAOYSA-N -1 1 374.401 0.203 10 0 FCAEMM O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643387596 1290879893 /nfs/dbraw/zinc/87/98/93/1290879893.db2.gz RQRXMJQAXHBDBL-NSHDSACASA-N -1 1 354.370 0.592 10 0 FCAEMM Cc1[nH]nc(I)c1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643391324 1290883648 /nfs/dbraw/zinc/88/36/48/1290883648.db2.gz WXEBLBHOACMDPM-LURJTMIESA-N -1 1 373.158 0.466 10 0 FCAEMM Cn1nncc1C1(O)CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC001643450901 1290891481 /nfs/dbraw/zinc/89/14/81/1290891481.db2.gz FHOQNEORVSZHSD-UHFFFAOYSA-N -1 1 368.349 0.937 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)co1 ZINC001644274199 1290951304 /nfs/dbraw/zinc/95/13/04/1290951304.db2.gz ABSJKXYIGWSRNA-LBPRGKRZSA-N -1 1 358.416 0.191 10 0 FCAEMM COCCn1cc(CNC(=O)c2c(F)ccc([O-])c2F)c(=O)[nH]c1=O ZINC001644313227 1290954361 /nfs/dbraw/zinc/95/43/61/1290954361.db2.gz IDFDWMWAQKUHHT-UHFFFAOYSA-N -1 1 355.297 0.509 10 0 FCAEMM CN(Cc1nnc2c(=O)[nH]ccn12)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001644355415 1290957626 /nfs/dbraw/zinc/95/76/26/1290957626.db2.gz HHXFRZMPYNVVIV-UHFFFAOYSA-N -1 1 353.338 0.862 10 0 FCAEMM C[C@]1(C2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)COC(=O)N1 ZINC001644860898 1290989886 /nfs/dbraw/zinc/98/98/86/1290989886.db2.gz RXLTVDVIEMFYCK-QGZVFWFLSA-N -1 1 362.386 0.254 10 0 FCAEMM CSCC[C@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)c1nn[n-]n1 ZINC001646037450 1291055932 /nfs/dbraw/zinc/05/59/32/1291055932.db2.gz REYVNVJKCJFCSL-ILDUYXDCSA-N -1 1 361.493 0.714 10 0 FCAEMM CSCC[C@H](NC(=O)CN1C(=O)c2ccc(C)cc2C1=O)c1nn[n-]n1 ZINC001646037972 1291056774 /nfs/dbraw/zinc/05/67/74/1291056774.db2.gz ZNGXMRSYYPFKLK-LBPRGKRZSA-N -1 1 374.426 0.715 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2ccc(S(C)(=O)=O)o2)[n-]c1=O ZINC001646345901 1291063509 /nfs/dbraw/zinc/06/35/09/1291063509.db2.gz PBHUXNPFOQUCTN-UHFFFAOYSA-N -1 1 355.372 0.852 10 0 FCAEMM COc1cnc([C@H]2CCCN2CC(=O)NCC(=O)N2CCCC2)[n-]c1=O ZINC001648550661 1291129342 /nfs/dbraw/zinc/12/93/42/1291129342.db2.gz MKYKCKAXZATCSP-GFCCVEGCSA-N -1 1 363.418 0.066 10 0 FCAEMM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650857878 1291181790 /nfs/dbraw/zinc/18/17/90/1291181790.db2.gz KXJOFJILMRQMJO-JOYOIKCWSA-N -1 1 374.405 0.731 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCN(C)C(=O)OC(C)(C)C)n[n-]1 ZINC001650944134 1291188211 /nfs/dbraw/zinc/18/82/11/1291188211.db2.gz SGMIZKLFFVWBJT-UHFFFAOYSA-N -1 1 355.395 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCN(C)C(=O)OC(C)(C)C)n1 ZINC001650944134 1291188215 /nfs/dbraw/zinc/18/82/15/1291188215.db2.gz SGMIZKLFFVWBJT-UHFFFAOYSA-N -1 1 355.395 0.855 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)n[n-]1 ZINC001650944146 1291188731 /nfs/dbraw/zinc/18/87/31/1291188731.db2.gz SLIPTVLLAYOBNI-INIZCTEOSA-N -1 1 359.342 0.387 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)n1 ZINC001650944146 1291188732 /nfs/dbraw/zinc/18/87/32/1291188732.db2.gz SLIPTVLLAYOBNI-INIZCTEOSA-N -1 1 359.342 0.387 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC001651180751 1291202878 /nfs/dbraw/zinc/20/28/78/1291202878.db2.gz MCKBPDAZNPHFPR-UHFFFAOYSA-N -1 1 369.451 0.087 10 0 FCAEMM COC[C@@H](NC(=O)c1ccc(OC)c(Br)n1)c1nn[n-]n1 ZINC001651846840 1291242388 /nfs/dbraw/zinc/24/23/88/1291242388.db2.gz OPVSFXKOKZAEIB-SSDOTTSWSA-N -1 1 357.168 0.483 10 0 FCAEMM COC[C@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001651847213 1291243789 /nfs/dbraw/zinc/24/37/89/1291243789.db2.gz ZBNUNLYMIUEMTK-MNOVXSKESA-N -1 1 354.411 0.651 10 0 FCAEMM Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)c3ccc4n[n-]c(=S)n4c3)C2)n1 ZINC001651886305 1291246433 /nfs/dbraw/zinc/24/64/33/1291246433.db2.gz JNOFBLPJGYPAJK-NSHDSACASA-N -1 1 371.426 0.831 10 0 FCAEMM O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651874020 1291247077 /nfs/dbraw/zinc/24/70/77/1291247077.db2.gz CAMYFVOGWNPGDJ-LBPRGKRZSA-N -1 1 353.386 0.391 10 0 FCAEMM NC(=O)N[C@H](CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)c1cccs1 ZINC001651874311 1291247314 /nfs/dbraw/zinc/24/73/14/1291247314.db2.gz KQBQGBURXKFQCF-GHMZBOCLSA-N -1 1 363.447 0.842 10 0 FCAEMM O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001651875073 1291247426 /nfs/dbraw/zinc/24/74/26/1291247426.db2.gz UHSGKMLPRYRLOH-CQSZACIVSA-N -1 1 352.402 0.934 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](CO)c1ccccc1C(F)(F)F ZINC001652504140 1291282483 /nfs/dbraw/zinc/28/24/83/1291282483.db2.gz GUQGKUGIGPLEKV-GFCCVEGCSA-N -1 1 371.315 0.795 10 0 FCAEMM CCOC(=O)[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCOC1 ZINC001653254440 1291331429 /nfs/dbraw/zinc/33/14/29/1291331429.db2.gz PHDWIDVRDFGWHH-XHDPSFHLSA-N -1 1 351.403 0.703 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001653414296 1291342249 /nfs/dbraw/zinc/34/22/49/1291342249.db2.gz WCKCSOZOLJQIMV-UHFFFAOYSA-N -1 1 372.385 0.063 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCC2(C1)OCCO2 ZINC001671050553 1292031645 /nfs/dbraw/zinc/03/16/45/1292031645.db2.gz DVUQKPHVARYYEP-JTQLQIEISA-N -1 1 350.375 0.350 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H]1CCCCS1(=O)=O ZINC001679412733 1292304122 /nfs/dbraw/zinc/30/41/22/1292304122.db2.gz OTVNQNDMPDJDHS-JTQLQIEISA-N -1 1 370.431 0.021 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)c1ccsc1 ZINC001684758020 1292328849 /nfs/dbraw/zinc/32/88/49/1292328849.db2.gz VDAUMVZBWBDWKI-LBPRGKRZSA-N -1 1 350.400 0.849 10 0 FCAEMM C[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(=O)N(C)C ZINC000804964803 836495843 /nfs/dbraw/zinc/49/58/43/836495843.db2.gz VBQGBAGAUZHQNM-VLEAKVRGSA-N -1 1 366.384 0.950 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nnc3n2CCCC3)co1 ZINC001116576246 846710871 /nfs/dbraw/zinc/71/08/71/846710871.db2.gz SPKRLUPZFMVABZ-UHFFFAOYSA-N -1 1 353.404 0.088 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(C)C3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001118523975 847462501 /nfs/dbraw/zinc/46/25/01/847462501.db2.gz WXTHBMXMQMTGSI-VQEBWTGLSA-N -1 1 361.364 0.913 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1C(F)(F)F ZINC001118935108 847641237 /nfs/dbraw/zinc/64/12/37/847641237.db2.gz GOSGKGWEBBRBHW-UHFFFAOYSA-N -1 1 361.367 0.152 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(-c3nnn[n-]3)n1C[C@H]1CCOC1)C2 ZINC001123122793 848570598 /nfs/dbraw/zinc/57/05/98/848570598.db2.gz MFZRBEPYELIQHH-NOZJJQNGSA-N -1 1 352.349 0.730 10 0 FCAEMM FC1(F)C[C@@]12CCN(c1nnc(-c3nn[n-]n3)n1C[C@H]1CCOC1)C2 ZINC001123122793 848570604 /nfs/dbraw/zinc/57/06/04/848570604.db2.gz MFZRBEPYELIQHH-NOZJJQNGSA-N -1 1 352.349 0.730 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3nc(N(C)C)sc3C2)o1 ZINC001123893365 848650882 /nfs/dbraw/zinc/65/08/82/848650882.db2.gz VAZGIJNYLFOEBF-UHFFFAOYSA-N -1 1 370.456 0.909 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@]3(C)CCCS3(=O)=O)nc2n1 ZINC001131778170 849135468 /nfs/dbraw/zinc/13/54/68/849135468.db2.gz HTCIOHMUOWRWTQ-AWEZNQCLSA-N -1 1 353.404 0.276 10 0 FCAEMM O=C(C[C@H]1CCCS1(=O)=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001136819916 849243749 /nfs/dbraw/zinc/24/37/49/849243749.db2.gz HPFJATODYBUVPG-GFCCVEGCSA-N -1 1 351.388 0.685 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](O)C(C)(C)O)c1 ZINC001137775017 849284326 /nfs/dbraw/zinc/28/43/26/849284326.db2.gz PPVJUKFQBPZUSB-ZDUSSCGKSA-N -1 1 360.432 0.493 10 0 FCAEMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)CCNC(=O)CO)c1 ZINC001140666766 849365902 /nfs/dbraw/zinc/36/59/02/849365902.db2.gz VNNDBXJMKSAKPP-UHFFFAOYSA-N -1 1 361.320 0.611 10 0 FCAEMM COc1c(F)cc(NC(=O)CCn2cc[n-]c(=O)c2=O)c(OC)c1F ZINC001141090164 849381771 /nfs/dbraw/zinc/38/17/71/849381771.db2.gz FZPLHVROXBJXKC-UHFFFAOYSA-N -1 1 355.297 0.861 10 0 FCAEMM CNS(=O)(=O)c1cccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1 ZINC001141542486 849401154 /nfs/dbraw/zinc/40/11/54/849401154.db2.gz LXOYWPYQJITENW-UHFFFAOYSA-N -1 1 368.440 0.617 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CN2CCCCCCC2=O)n[n-]1 ZINC001146853769 849567961 /nfs/dbraw/zinc/56/79/61/849567961.db2.gz AXUXNLUEXRPNSV-LLVKDONJSA-N -1 1 351.407 0.951 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CN2CCCCCCC2=O)[n-]1 ZINC001146853769 849567967 /nfs/dbraw/zinc/56/79/67/849567967.db2.gz AXUXNLUEXRPNSV-LLVKDONJSA-N -1 1 351.407 0.951 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CN2CCCCCCC2=O)n1 ZINC001146853769 849567976 /nfs/dbraw/zinc/56/79/76/849567976.db2.gz AXUXNLUEXRPNSV-LLVKDONJSA-N -1 1 351.407 0.951 10 0 FCAEMM CN(C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)c1nn[n-]n1 ZINC001149219924 849633406 /nfs/dbraw/zinc/63/34/06/849633406.db2.gz JKWFQIQONJOKAC-UHFFFAOYSA-N -1 1 350.383 0.876 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)CCOC1 ZINC001167321529 850540780 /nfs/dbraw/zinc/54/07/80/850540780.db2.gz QIBWUQXLZOXQRU-KRWDZBQOSA-N -1 1 352.362 0.621 10 0 FCAEMM CSCC[C@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1nn[n-]n1 ZINC001167445351 850544302 /nfs/dbraw/zinc/54/43/02/850544302.db2.gz WLJXMDNTJXFMSK-JTQLQIEISA-N -1 1 351.436 0.945 10 0 FCAEMM Cn1nnc(C(=O)[N-]c2csc(S(N)(=O)=O)c2)c1C(F)(F)F ZINC001174716203 850743547 /nfs/dbraw/zinc/74/35/47/850743547.db2.gz DCZCNOHHUXLMFC-UHFFFAOYSA-N -1 1 355.323 0.795 10 0 FCAEMM CS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c(Cl)cn1 ZINC001176727183 850800308 /nfs/dbraw/zinc/80/03/08/850800308.db2.gz YLKPLEYNEXNQOA-UHFFFAOYSA-N -1 1 356.795 0.461 10 0 FCAEMM CN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)c1nn[n-]n1 ZINC001279188466 862717147 /nfs/dbraw/zinc/71/71/47/862717147.db2.gz VZDCGYNYMGKMKP-SECBINFHSA-N -1 1 352.148 0.707 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCCC2(C1)OCCO2 ZINC001235546815 857427626 /nfs/dbraw/zinc/42/76/26/857427626.db2.gz SWVHYJYSOOFJGX-UHFFFAOYSA-N -1 1 350.375 0.303 10 0 FCAEMM CO[C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001262144043 858793132 /nfs/dbraw/zinc/79/31/32/858793132.db2.gz LSVIUIUNXPPQBL-BHDSKKPTSA-N -1 1 365.352 0.197 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(CCS(C)(=O)=O)no1 ZINC001262166228 858804058 /nfs/dbraw/zinc/80/40/58/858804058.db2.gz YFWNLZFGVROLKB-MRVPVSSYSA-N -1 1 365.458 0.758 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CC(=O)N(CC)CC ZINC001264048870 859286538 /nfs/dbraw/zinc/28/65/38/859286538.db2.gz GGJVLMWPOWJDAF-QWHCGFSZSA-N -1 1 351.451 0.875 10 0 FCAEMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271277804 859930434 /nfs/dbraw/zinc/93/04/34/859930434.db2.gz IUTGYICHNUJKBZ-PWNZVWSESA-N -1 1 351.451 0.946 10 0 FCAEMM CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001293568867 865797123 /nfs/dbraw/zinc/79/71/23/865797123.db2.gz QNDZTXDVIITBMK-UHFFFAOYSA-N -1 1 368.419 0.435 10 0 FCAEMM CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001295575305 865907333 /nfs/dbraw/zinc/90/73/33/865907333.db2.gz HZKNPFZOTNQSSO-PLNGDYQASA-N -1 1 352.391 0.124 10 0 FCAEMM CN(C(=O)CCc1nn[n-]n1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001295738901 865918863 /nfs/dbraw/zinc/91/88/63/865918863.db2.gz JAAWQYQBGANSLU-LBPRGKRZSA-N -1 1 367.207 0.580 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001295971199 865932603 /nfs/dbraw/zinc/93/26/03/865932603.db2.gz VZDBQCIXOLHAGX-MNOVXSKESA-N -1 1 353.400 0.237 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCNc2cc(OC)ncn2)co1 ZINC001299787573 866195191 /nfs/dbraw/zinc/19/51/91/866195191.db2.gz NATLMTIZXCBZPX-UHFFFAOYSA-N -1 1 369.403 0.218 10 0 FCAEMM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302935976 866365532 /nfs/dbraw/zinc/36/55/32/866365532.db2.gz FZGWDFMELRTFAH-JTQLQIEISA-N -1 1 359.781 0.523 10 0 FCAEMM Cn1[n-]c(COC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)nc1=O ZINC001350087940 866506310 /nfs/dbraw/zinc/50/63/10/866506310.db2.gz CYDHIWODMFAOIR-UHFFFAOYSA-N -1 1 355.391 0.680 10 0 FCAEMM Cc1ncncc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001350420468 866591350 /nfs/dbraw/zinc/59/13/50/866591350.db2.gz ATCUIHZXSSLPQQ-ZJUUUORDSA-N -1 1 360.292 0.521 10 0 FCAEMM CN(C)C(=O)CCCNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001351129697 866786653 /nfs/dbraw/zinc/78/66/53/866786653.db2.gz NIZXXMYVIVMQDL-UHFFFAOYSA-N -1 1 357.357 0.314 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCN1CCCS1(=O)=O ZINC001351846142 866985701 /nfs/dbraw/zinc/98/57/01/866985701.db2.gz DQQAXQXZZBZTGJ-UHFFFAOYSA-N -1 1 360.461 0.368 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(=O)[n-]1 ZINC001318892395 867772080 /nfs/dbraw/zinc/77/20/80/867772080.db2.gz GJQMKVUTUYKMMK-JTQLQIEISA-N -1 1 374.488 0.295 10 0 FCAEMM NC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC001320742652 868261555 /nfs/dbraw/zinc/26/15/55/868261555.db2.gz WBHLBBMMYGITKX-ZDUSSCGKSA-N -1 1 355.416 0.003 10 0 FCAEMM O=C(NCc1nc(=O)o[n-]1)c1c[nH]c2ccc(Br)cc2c1=O ZINC001343812687 870619146 /nfs/dbraw/zinc/61/91/46/870619146.db2.gz HHJDUGGQHAYHRP-UHFFFAOYSA-N -1 1 365.143 0.897 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)CCOC1 ZINC001329209533 871888464 /nfs/dbraw/zinc/88/84/64/871888464.db2.gz ZTEILGYYQVUPRM-NVXWUHKLSA-N -1 1 356.369 0.860 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@]23CCOC3)C1 ZINC001329496790 872070049 /nfs/dbraw/zinc/07/00/49/872070049.db2.gz FRRCVJQCSDQCKQ-KGLIPLIRSA-N -1 1 363.336 0.047 10 0 FCAEMM O=C(Cn1cc(Br)cn1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001347673592 872446638 /nfs/dbraw/zinc/44/66/38/872446638.db2.gz ZTNUBVOUXXAEOG-VIFPVBQESA-N -1 1 354.212 0.640 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1)[C@H]1CCOC1 ZINC001330136689 872485253 /nfs/dbraw/zinc/48/52/53/872485253.db2.gz PXFYIQXVESEHJL-QWHCGFSZSA-N -1 1 368.415 0.603 10 0 FCAEMM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001348136601 872607061 /nfs/dbraw/zinc/60/70/61/872607061.db2.gz QVNYAQAEEOIITR-ZETCQYMHSA-N -1 1 357.201 0.659 10 0 FCAEMM O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001348792650 872794315 /nfs/dbraw/zinc/79/43/15/872794315.db2.gz LFRYLLBDAVBJEP-UHFFFAOYSA-N -1 1 365.817 0.839 10 0 FCAEMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)cc2C1 ZINC001333145578 873821060 /nfs/dbraw/zinc/82/10/60/873821060.db2.gz VNOFETQRWOAWPJ-QFIPXVFZSA-N -1 1 360.461 0.780 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCc3cn[nH]c3)CC2)n1 ZINC000292096512 214077462 /nfs/dbraw/zinc/07/74/62/214077462.db2.gz KSSWJRLELXVYCG-UHFFFAOYSA-N -1 1 361.406 0.836 10 0 FCAEMM CC(C)[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000292308391 214093322 /nfs/dbraw/zinc/09/33/22/214093322.db2.gz VZYFTUGOVSKRCR-AWEZNQCLSA-N -1 1 358.416 0.369 10 0 FCAEMM CCOC(=O)c1cnc(C)c(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000293507102 214180606 /nfs/dbraw/zinc/18/06/06/214180606.db2.gz AJRCINHEJGZLQV-NSHDSACASA-N -1 1 359.386 0.998 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nnn[n-]2)c1 ZINC000265552414 210163960 /nfs/dbraw/zinc/16/39/60/210163960.db2.gz ZDQCAUQTRVOBNG-UHFFFAOYSA-N -1 1 365.419 0.303 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nn[n-]n2)c1 ZINC000265552414 210163961 /nfs/dbraw/zinc/16/39/61/210163961.db2.gz ZDQCAUQTRVOBNG-UHFFFAOYSA-N -1 1 365.419 0.303 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO ZINC000930999833 674085488 /nfs/dbraw/zinc/08/54/88/674085488.db2.gz IWUUXMLDKRQFQD-GMTAPVOTSA-N -1 1 370.368 0.193 10 0 FCAEMM CCCC1N=NC(=S)N1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283776911 213006331 /nfs/dbraw/zinc/00/63/31/213006331.db2.gz UJPIJLOVRRKDPM-SECBINFHSA-N -1 1 351.436 0.337 10 0 FCAEMM C[C@@H](CN1CCOC[C@H]1CNS(C)(=O)=O)C(=O)c1ccc([O-])cc1 ZINC000931330315 674108658 /nfs/dbraw/zinc/10/86/58/674108658.db2.gz FMFZXKSQFSPUHU-GXTWGEPZSA-N -1 1 356.444 0.461 10 0 FCAEMM COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000275381768 212016206 /nfs/dbraw/zinc/01/62/06/212016206.db2.gz XOMUEMQLCTVLLH-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccncn1 ZINC000275327630 212006453 /nfs/dbraw/zinc/00/64/53/212006453.db2.gz MGPGWJFVRSDYHD-UHFFFAOYSA-N -1 1 364.383 0.455 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)c1nn[n-]n1 ZINC000376022677 217346246 /nfs/dbraw/zinc/34/62/46/217346246.db2.gz ULNBKWRFWMNJIF-DGCLKSJQSA-N -1 1 358.402 0.772 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)c1nn[n-]n1 ZINC000376022679 217345585 /nfs/dbraw/zinc/34/55/85/217345585.db2.gz ULNBKWRFWMNJIF-YPMHNXCESA-N -1 1 358.402 0.772 10 0 FCAEMM C[C@H]1CCCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C(=O)[O-] ZINC000424269780 247193930 /nfs/dbraw/zinc/19/39/30/247193930.db2.gz XITQYWFWCPGXOH-MEDUHNTESA-N -1 1 371.393 0.970 10 0 FCAEMM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436887714 248053880 /nfs/dbraw/zinc/05/38/80/248053880.db2.gz OXWJNFZBSQCFEM-UHFFFAOYSA-N -1 1 359.426 0.635 10 0 FCAEMM CN(C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@H]1CCN(C2CC2)C1 ZINC000439589300 248134035 /nfs/dbraw/zinc/13/40/35/248134035.db2.gz AUTCZVRSFRQGHB-NSHDSACASA-N -1 1 351.476 0.891 10 0 FCAEMM COC(=O)CC1(NC(=O)c2ncc(C)cc2[O-])CCS(=O)(=O)CC1 ZINC000440138209 248158120 /nfs/dbraw/zinc/15/81/20/248158120.db2.gz UBGFVPRCGUPTDT-UHFFFAOYSA-N -1 1 356.400 0.336 10 0 FCAEMM COCCOCc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1F ZINC000439147375 248110883 /nfs/dbraw/zinc/11/08/83/248110883.db2.gz RZGJDJDDMMZTEC-UHFFFAOYSA-N -1 1 372.378 0.763 10 0 FCAEMM COCCOCc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1F ZINC000439147375 248110885 /nfs/dbraw/zinc/11/08/85/248110885.db2.gz RZGJDJDDMMZTEC-UHFFFAOYSA-N -1 1 372.378 0.763 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000452804871 249333985 /nfs/dbraw/zinc/33/39/85/249333985.db2.gz ZVVVXLZFGMRHFB-ZDUSSCGKSA-N -1 1 373.450 0.774 10 0 FCAEMM CC(C)(C)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000469895311 250012283 /nfs/dbraw/zinc/01/22/83/250012283.db2.gz BHIZTAIKJUSMFC-UHFFFAOYSA-N -1 1 371.459 0.942 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000270280348 211180006 /nfs/dbraw/zinc/18/00/06/211180006.db2.gz UFEPVCBTUQMFBN-OAHLLOKOSA-N -1 1 373.452 0.941 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCC(=O)c2ccc(Cl)cn2)n1 ZINC000470584762 250051163 /nfs/dbraw/zinc/05/11/63/250051163.db2.gz SXMCBAQUMCGJGG-UHFFFAOYSA-N -1 1 357.779 0.858 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCC(=O)c2ccc(Cl)cn2)[n-]1 ZINC000470584762 250051168 /nfs/dbraw/zinc/05/11/68/250051168.db2.gz SXMCBAQUMCGJGG-UHFFFAOYSA-N -1 1 357.779 0.858 10 0 FCAEMM COc1nn(C)cc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000473475025 250231745 /nfs/dbraw/zinc/23/17/45/250231745.db2.gz XUADXHYPMVKDQF-UHFFFAOYSA-N -1 1 369.355 0.699 10 0 FCAEMM O=C(CNC(=O)c1ccc(Br)s1)NC1(c2nn[n-]n2)CC1 ZINC000473377330 250224626 /nfs/dbraw/zinc/22/46/26/250224626.db2.gz AUUGDVHTBYJOAE-UHFFFAOYSA-N -1 1 371.220 0.559 10 0 FCAEMM COc1ccc(C)cc1N1C[C@H](C(=O)NC2(c3nn[n-]n3)CC2)CC1=O ZINC000473376750 250225847 /nfs/dbraw/zinc/22/58/47/250225847.db2.gz KUZNHYIDVLZSAO-LLVKDONJSA-N -1 1 356.386 0.675 10 0 FCAEMM COc1cccc(NC(=S)c2c(N)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000072450555 136148303 /nfs/dbraw/zinc/14/83/03/136148303.db2.gz YSFIJCPGXNWTQT-UHFFFAOYSA-N -1 1 361.427 0.985 10 0 FCAEMM CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000104610943 222359063 /nfs/dbraw/zinc/35/90/63/222359063.db2.gz IUPTYBGLRKPMOM-UHFFFAOYSA-N -1 1 368.802 0.529 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)o1 ZINC000278386982 488872698 /nfs/dbraw/zinc/87/26/98/488872698.db2.gz PNTKSFXTIZCRFB-JTQLQIEISA-N -1 1 366.321 0.955 10 0 FCAEMM COCCn1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)cn1 ZINC000278860333 488900549 /nfs/dbraw/zinc/90/05/49/488900549.db2.gz LWHPSQZMEBYXSM-NSHDSACASA-N -1 1 367.353 0.845 10 0 FCAEMM Cn1[n-]cc2/c(=N\C(=O)C(=O)NC[C@@](C)(O)C3CCCCC3)ccnc1-2 ZINC000287911234 488920477 /nfs/dbraw/zinc/92/04/77/488920477.db2.gz OKGJSZVGQBLVMX-QWQBBLJPSA-N -1 1 359.430 0.728 10 0 FCAEMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)c1C ZINC000349476029 489294649 /nfs/dbraw/zinc/29/46/49/489294649.db2.gz GJDDRHGKPNDCGL-CABZTGNLSA-N -1 1 364.493 0.828 10 0 FCAEMM Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc4nn[nH]c43)CCO2)n1 ZINC000328659295 488926978 /nfs/dbraw/zinc/92/69/78/488926978.db2.gz SMHRAWUSJRFDPP-GFCCVEGCSA-N -1 1 359.365 0.847 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2OC)o1 ZINC000032023122 487768252 /nfs/dbraw/zinc/76/82/52/487768252.db2.gz FWSMKXGYALBVQW-NSHDSACASA-N -1 1 354.384 0.660 10 0 FCAEMM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000050208294 488109297 /nfs/dbraw/zinc/10/92/97/488109297.db2.gz XITCFHULZSPGMC-UHFFFAOYSA-N -1 1 351.359 0.842 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000054016939 488215048 /nfs/dbraw/zinc/21/50/48/488215048.db2.gz BVRNNIJREQIWBG-LLVKDONJSA-N -1 1 365.415 0.377 10 0 FCAEMM CN(C)CC(=O)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@]2(C(=O)[O-])C1 ZINC000091736785 488468204 /nfs/dbraw/zinc/46/82/04/488468204.db2.gz JHMKHEJGUJHOJL-UGSOOPFHSA-N -1 1 359.430 0.265 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccnnc1 ZINC000269132562 488472261 /nfs/dbraw/zinc/47/22/61/488472261.db2.gz LXKBCPXPBAYITP-UHFFFAOYSA-N -1 1 364.383 0.455 10 0 FCAEMM Cc1nc(C(=O)N[C@H](C)CCC(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000262130696 488552175 /nfs/dbraw/zinc/55/21/75/488552175.db2.gz KGFWOLWQESAWQX-RXMQYKEDSA-N -1 1 361.284 0.696 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127305297 488615971 /nfs/dbraw/zinc/61/59/71/488615971.db2.gz GWMZGCWQGNCERK-OAHLLOKOSA-N -1 1 373.457 0.964 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](C)N1CCOCC1 ZINC000131824436 488648558 /nfs/dbraw/zinc/64/85/58/488648558.db2.gz JJUJBTCPOGXBEG-LBPRGKRZSA-N -1 1 361.446 0.821 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H]1CCCN(c3cccnn3)C1)c2=O ZINC000132730219 488655021 /nfs/dbraw/zinc/65/50/21/488655021.db2.gz UCWNRAABJXARBO-LLVKDONJSA-N -1 1 353.386 0.863 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000274286197 488695636 /nfs/dbraw/zinc/69/56/36/488695636.db2.gz MKDFUKFMEAIUCT-CYBMUJFWSA-N -1 1 360.370 0.618 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)co1 ZINC000153422010 488730676 /nfs/dbraw/zinc/73/06/76/488730676.db2.gz ORLNGARSTTXTLE-GFCCVEGCSA-N -1 1 367.431 0.320 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccon3)CC2)co1 ZINC000153759977 488734717 /nfs/dbraw/zinc/73/47/17/488734717.db2.gz KQMXEKVKIRMGBU-UHFFFAOYSA-N -1 1 354.388 0.134 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000275011767 488753038 /nfs/dbraw/zinc/75/30/38/488753038.db2.gz QBHDDESFIMPHMG-AWEZNQCLSA-N -1 1 354.428 0.839 10 0 FCAEMM CCn1nc(C)c(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1C ZINC000275027367 488754694 /nfs/dbraw/zinc/75/46/94/488754694.db2.gz STZBLGUDVZEJOO-CYBMUJFWSA-N -1 1 358.464 0.737 10 0 FCAEMM Cn1c2ccccc2n(CCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1=O ZINC000155537296 488756456 /nfs/dbraw/zinc/75/64/56/488756456.db2.gz MJNUPMVCCHXHSU-GFCCVEGCSA-N -1 1 355.402 0.649 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1OC ZINC000275056040 488757087 /nfs/dbraw/zinc/75/70/87/488757087.db2.gz YBAKISMFUXPQCN-ZDUSSCGKSA-N -1 1 372.443 0.921 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000275258949 488777890 /nfs/dbraw/zinc/77/78/90/488777890.db2.gz IQNLPIIGWHBMMR-UHFFFAOYSA-N -1 1 370.427 0.395 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000275258949 488777892 /nfs/dbraw/zinc/77/78/92/488777892.db2.gz IQNLPIIGWHBMMR-UHFFFAOYSA-N -1 1 370.427 0.395 10 0 FCAEMM Cc1nnc([C@@H]2CN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CCO2)[nH]1 ZINC000173600620 488843962 /nfs/dbraw/zinc/84/39/62/488843962.db2.gz RENUMXRDCPJPBP-ZDUSSCGKSA-N -1 1 371.401 0.209 10 0 FCAEMM Cc1nc([C@@H]2CN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)CCO2)n[nH]1 ZINC000173600620 488843964 /nfs/dbraw/zinc/84/39/64/488843964.db2.gz RENUMXRDCPJPBP-ZDUSSCGKSA-N -1 1 371.401 0.209 10 0 FCAEMM Cc1ccccc1C(=O)N[C@@H](C(=O)NCCCc1nc(=O)[n-][nH]1)C(C)C ZINC000174580048 488850067 /nfs/dbraw/zinc/85/00/67/488850067.db2.gz SQZISMBYQKJENQ-OAHLLOKOSA-N -1 1 359.430 0.910 10 0 FCAEMM O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000364693107 488986962 /nfs/dbraw/zinc/98/69/62/488986962.db2.gz BVRCQBHZOWTXPQ-JMSVASOKSA-N -1 1 357.370 0.675 10 0 FCAEMM O=c1nc(C2CCN(CCS(=O)(=O)c3ccc(F)cc3)CC2)[nH][n-]1 ZINC000289408819 489065626 /nfs/dbraw/zinc/06/56/26/489065626.db2.gz LRULFCYGLAZNSJ-UHFFFAOYSA-N -1 1 354.407 0.890 10 0 FCAEMM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289819484 489095764 /nfs/dbraw/zinc/09/57/64/489095764.db2.gz ZXMZLSWMBOHDMW-NSHDSACASA-N -1 1 364.427 0.830 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cnc2n1 ZINC000365903250 489123751 /nfs/dbraw/zinc/12/37/51/489123751.db2.gz LEMZLXOKAUBDLW-UHFFFAOYSA-N -1 1 366.381 0.866 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)c[n-]c2n1 ZINC000365903250 489123756 /nfs/dbraw/zinc/12/37/56/489123756.db2.gz LEMZLXOKAUBDLW-UHFFFAOYSA-N -1 1 366.381 0.866 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C[C@@]2(CCOC2)O1 ZINC000366512997 489190953 /nfs/dbraw/zinc/19/09/53/489190953.db2.gz FVBIMHJVRPBNRC-IAQYHMDHSA-N -1 1 358.416 0.598 10 0 FCAEMM O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282919591 489199503 /nfs/dbraw/zinc/19/95/03/489199503.db2.gz NRRYHIIMBIPJNE-AWEZNQCLSA-N -1 1 357.414 0.954 10 0 FCAEMM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C1=O ZINC000282957863 489201826 /nfs/dbraw/zinc/20/18/26/489201826.db2.gz QZOYBJJQJROOCR-VXGBXAGGSA-N -1 1 371.397 0.618 10 0 FCAEMM C[C@]1(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)Cc2ccccc2C(=O)O1 ZINC000282976878 489203214 /nfs/dbraw/zinc/20/32/14/489203214.db2.gz SRBQRKCLMWYIHZ-KZULUSFZSA-N -1 1 356.382 0.976 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283009448 489205867 /nfs/dbraw/zinc/20/58/67/489205867.db2.gz WIPJPUROXYTOFZ-WDEREUQCSA-N -1 1 353.448 0.506 10 0 FCAEMM C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)NC1=O ZINC000283031679 489208597 /nfs/dbraw/zinc/20/85/97/489208597.db2.gz YMZUWJHEIGRUGL-UWVGGRQHSA-N -1 1 357.370 0.837 10 0 FCAEMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)N1CCCO1 ZINC000349457087 489290431 /nfs/dbraw/zinc/29/04/31/489290431.db2.gz RUXPLLIAXZMDCT-UHFFFAOYSA-N -1 1 356.372 0.556 10 0 FCAEMM O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283715633 489294698 /nfs/dbraw/zinc/29/46/98/489294698.db2.gz MSKCIESVKUCOSF-LLVKDONJSA-N -1 1 363.805 0.887 10 0 FCAEMM COCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298666920 489351044 /nfs/dbraw/zinc/35/10/44/489351044.db2.gz DJVHCQVSSITVBE-UHFFFAOYSA-N -1 1 358.416 0.778 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370870786 489417973 /nfs/dbraw/zinc/41/79/73/489417973.db2.gz WHJYYESCTIBFDS-GARJFASQSA-N -1 1 354.436 0.047 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(CO)C2)c(F)c1 ZINC000451393157 489501874 /nfs/dbraw/zinc/50/18/74/489501874.db2.gz LOVFLUCCUOUMQX-UHFFFAOYSA-N -1 1 366.436 0.590 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)o1 ZINC000427346716 489603858 /nfs/dbraw/zinc/60/38/58/489603858.db2.gz KUBNWIACNBLXBF-MRVPVSSYSA-N -1 1 365.358 0.351 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)[n-]1 ZINC000474450338 489763542 /nfs/dbraw/zinc/76/35/42/489763542.db2.gz JNOSJRUTAHIAJR-VIFPVBQESA-N -1 1 356.379 0.741 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(F)cc2)n[n-]1 ZINC000474450338 489763546 /nfs/dbraw/zinc/76/35/46/489763546.db2.gz JNOSJRUTAHIAJR-VIFPVBQESA-N -1 1 356.379 0.741 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)[N-]c1nnc(CC(=O)OC)[nH]1 ZINC000460539879 489872035 /nfs/dbraw/zinc/87/20/35/489872035.db2.gz PYPMDGALZANQGE-UHFFFAOYSA-N -1 1 354.388 0.609 10 0 FCAEMM CCOC[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000494370898 489887166 /nfs/dbraw/zinc/88/71/66/489887166.db2.gz VWKKFAJEDPXECM-VIFPVBQESA-N -1 1 354.425 0.901 10 0 FCAEMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000476563482 489900349 /nfs/dbraw/zinc/90/03/49/489900349.db2.gz REPUUACLNFVHJF-GMTAPVOTSA-N -1 1 357.432 0.550 10 0 FCAEMM O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1(c2nn[n-]n2)CCCC1 ZINC000461674878 489928899 /nfs/dbraw/zinc/92/88/99/489928899.db2.gz XQWNNPLWNLSISX-UHFFFAOYSA-N -1 1 358.358 0.244 10 0 FCAEMM COc1nn(C)c2nc(C)c(CCC(=O)NC3(c4nn[n-]n4)CC3)c(C)c12 ZINC000477024649 489932633 /nfs/dbraw/zinc/93/26/33/489932633.db2.gz LDVBVRACILPWAS-UHFFFAOYSA-N -1 1 370.417 0.845 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(OCC(F)(F)F)cn2)n[n-]1 ZINC000434514945 489933076 /nfs/dbraw/zinc/93/30/76/489933076.db2.gz VCNNWHZBYFCMJT-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(OCC(F)(F)F)cn2)n1 ZINC000434514945 489933080 /nfs/dbraw/zinc/93/30/80/489933080.db2.gz VCNNWHZBYFCMJT-UHFFFAOYSA-N -1 1 365.293 0.797 10 0 FCAEMM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477028741 489933783 /nfs/dbraw/zinc/93/37/83/489933783.db2.gz ZBIXMUDZYMYBBD-UHFFFAOYSA-N -1 1 361.753 0.257 10 0 FCAEMM COc1cc(OC)cc(N2C[C@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)c1 ZINC000477038722 489935352 /nfs/dbraw/zinc/93/53/52/489935352.db2.gz VMMBAKRULBCSFH-SNVBAGLBSA-N -1 1 372.385 0.375 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000477383025 489961099 /nfs/dbraw/zinc/96/10/99/489961099.db2.gz NRSBBPBBLOMBQR-NSHDSACASA-N -1 1 360.370 0.326 10 0 FCAEMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000477425749 489964011 /nfs/dbraw/zinc/96/40/11/489964011.db2.gz PAEVVEBVVRNBFI-UHFFFAOYSA-N -1 1 366.420 0.916 10 0 FCAEMM CCN(CCC[N-]S(=O)(=O)c1nc(C)c(C)s1)S(C)(=O)=O ZINC000435229305 489990176 /nfs/dbraw/zinc/99/01/76/489990176.db2.gz GKZHTGMDMARSEY-UHFFFAOYSA-N -1 1 355.507 0.710 10 0 FCAEMM O=C(Nc1nn[n-]n1)c1n[nH]c2ccc(I)cc21 ZINC000463679400 490024299 /nfs/dbraw/zinc/02/42/99/490024299.db2.gz AIGQAKXFGHNGGN-UHFFFAOYSA-N -1 1 355.099 0.933 10 0 FCAEMM O=C(CNC(=O)N1CCc2ccccc2C1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793264 490116497 /nfs/dbraw/zinc/11/64/97/490116497.db2.gz GLYHIONPZIQPKG-OAHLLOKOSA-N -1 1 369.429 0.674 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)sc1C ZINC000532931250 490141862 /nfs/dbraw/zinc/14/18/62/490141862.db2.gz HULJRBHVPXPYGY-MNOVXSKESA-N -1 1 367.518 0.756 10 0 FCAEMM Cc1cc(F)ccc1-n1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nn1 ZINC000507084657 490171514 /nfs/dbraw/zinc/17/15/14/490171514.db2.gz YXJGXLOIUFOPGC-UHFFFAOYSA-N -1 1 365.350 0.489 10 0 FCAEMM Cc1cc(F)ccc1-n1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nn1 ZINC000507084657 490171521 /nfs/dbraw/zinc/17/15/21/490171521.db2.gz YXJGXLOIUFOPGC-UHFFFAOYSA-N -1 1 365.350 0.489 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)co1 ZINC000407996238 490198303 /nfs/dbraw/zinc/19/83/03/490198303.db2.gz PTDKUPWKKZHBGB-UHFFFAOYSA-N -1 1 357.432 0.659 10 0 FCAEMM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000466728891 490207996 /nfs/dbraw/zinc/20/79/96/490207996.db2.gz QJUNKHKDTQEHSB-DTWKUNHWSA-N -1 1 354.425 0.899 10 0 FCAEMM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000466728892 490208039 /nfs/dbraw/zinc/20/80/39/490208039.db2.gz QJUNKHKDTQEHSB-IUCAKERBSA-N -1 1 354.425 0.899 10 0 FCAEMM CCOC(=O)[C@H](CCOC)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000466746692 490209365 /nfs/dbraw/zinc/20/93/65/490209365.db2.gz XCTOGXOKYRKTSO-ZDUSSCGKSA-N -1 1 364.402 0.679 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000466871383 490221558 /nfs/dbraw/zinc/22/15/58/490221558.db2.gz HCXGOFJCUFABMS-PHIMTYICSA-N -1 1 364.420 0.749 10 0 FCAEMM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3ccc(C(N)=O)o3)n2)c1C ZINC000447700321 490259679 /nfs/dbraw/zinc/25/96/79/490259679.db2.gz UPYZARAYELDJHS-UHFFFAOYSA-N -1 1 370.369 1.291 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC3CCN(S(C)(=O)=O)CC3)cnc2n1 ZINC000408292098 490298046 /nfs/dbraw/zinc/29/80/46/490298046.db2.gz RANGTBGAIGKJQA-UHFFFAOYSA-N -1 1 364.427 0.798 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(S(C)(=O)=O)CC1)c2=O ZINC000408292098 490298051 /nfs/dbraw/zinc/29/80/51/490298051.db2.gz RANGTBGAIGKJQA-UHFFFAOYSA-N -1 1 364.427 0.798 10 0 FCAEMM COCc1nc(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)co1 ZINC000547518540 490308697 /nfs/dbraw/zinc/30/86/97/490308697.db2.gz VMNJIARGCFOZQV-UHFFFAOYSA-N -1 1 370.369 0.981 10 0 FCAEMM Cc1cnc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c([O-])c1 ZINC000408371671 490317430 /nfs/dbraw/zinc/31/74/30/490317430.db2.gz CRASTCNYVSTNRL-CYBMUJFWSA-N -1 1 369.443 0.362 10 0 FCAEMM CCC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1nn[n-]n1 ZINC000467637798 490322571 /nfs/dbraw/zinc/32/25/71/490322571.db2.gz PVDCJOSMDGAEIA-ZDUSSCGKSA-N -1 1 366.447 0.834 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000508545132 490336846 /nfs/dbraw/zinc/33/68/46/490336846.db2.gz IEIJQOFVCFGLJY-GXSJLCMTSA-N -1 1 355.416 0.920 10 0 FCAEMM CC[C@H](O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000450391542 490464787 /nfs/dbraw/zinc/46/47/87/490464787.db2.gz NGCIXVBDMLNLRU-NSHDSACASA-N -1 1 358.416 0.513 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000500578322 490536833 /nfs/dbraw/zinc/53/68/33/490536833.db2.gz YTKPOQWTLFQFTD-SNVBAGLBSA-N -1 1 367.362 0.339 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)[n-]1 ZINC000500578322 490536837 /nfs/dbraw/zinc/53/68/37/490536837.db2.gz YTKPOQWTLFQFTD-SNVBAGLBSA-N -1 1 367.362 0.339 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 ZINC000500603310 490538351 /nfs/dbraw/zinc/53/83/51/490538351.db2.gz PDYNNMFWHLXNQT-MRVPVSSYSA-N -1 1 353.335 0.412 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)[n-]1 ZINC000500603310 490538356 /nfs/dbraw/zinc/53/83/56/490538356.db2.gz PDYNNMFWHLXNQT-MRVPVSSYSA-N -1 1 353.335 0.412 10 0 FCAEMM CNC(=O)COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1OC ZINC000537122003 490648350 /nfs/dbraw/zinc/64/83/50/490648350.db2.gz XKRVSODRDCXENF-GFCCVEGCSA-N -1 1 374.401 0.353 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCNC(=O)c2ccc(F)cc2)n1 ZINC000512639347 490690567 /nfs/dbraw/zinc/69/05/67/490690567.db2.gz FXYOWYYDYINOTP-UHFFFAOYSA-N -1 1 355.351 0.106 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2ccc(F)cc2)[n-]1 ZINC000512639347 490690572 /nfs/dbraw/zinc/69/05/72/490690572.db2.gz FXYOWYYDYINOTP-UHFFFAOYSA-N -1 1 355.351 0.106 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000487352910 490707380 /nfs/dbraw/zinc/70/73/80/490707380.db2.gz DKUWXNLXNVEFIV-DTWKUNHWSA-N -1 1 364.370 0.699 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cn1C ZINC000538131480 490714259 /nfs/dbraw/zinc/71/42/59/490714259.db2.gz LWOFGZBTXQGTHR-UHFFFAOYSA-N -1 1 351.432 0.989 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC[C@@H](c3nn[n-]n3)C1)C2=O ZINC000538222773 490720107 /nfs/dbraw/zinc/72/01/07/490720107.db2.gz AQENCHRFXVENHM-VXGBXAGGSA-N -1 1 368.397 0.899 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225176 490721022 /nfs/dbraw/zinc/72/10/22/490721022.db2.gz FCYSITGUXRCFFU-YNEHKIRRSA-N -1 1 360.418 0.471 10 0 FCAEMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000527489414 490729185 /nfs/dbraw/zinc/72/91/85/490729185.db2.gz VKDYEFGPULZKPZ-SNVBAGLBSA-N -1 1 356.762 0.558 10 0 FCAEMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539327051 490777244 /nfs/dbraw/zinc/77/72/44/490777244.db2.gz RSZCCAIFFUYBEY-STQMWFEESA-N -1 1 370.479 0.500 10 0 FCAEMM NC(=O)NCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000539514107 490786979 /nfs/dbraw/zinc/78/69/79/490786979.db2.gz FLLMKSQNUDWBNB-UHFFFAOYSA-N -1 1 362.411 0.772 10 0 FCAEMM COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1CC(=O)[O-] ZINC000540294985 490814217 /nfs/dbraw/zinc/81/42/17/490814217.db2.gz YBQWJXPEIZBKBD-UHFFFAOYSA-N -1 1 366.399 0.979 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cn1C ZINC000540340005 490818332 /nfs/dbraw/zinc/81/83/32/490818332.db2.gz LRPVJIODTFTDBB-UHFFFAOYSA-N -1 1 367.427 0.899 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cn(C[C@H]2CCOC2)nn1 ZINC000530261886 490895674 /nfs/dbraw/zinc/89/56/74/490895674.db2.gz HNFLKVOVBMRNEJ-BXUZGUMPSA-N -1 1 354.374 0.347 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000531128428 490942085 /nfs/dbraw/zinc/94/20/85/490942085.db2.gz WRDMZPHQWABIBW-UHFFFAOYSA-N -1 1 367.409 0.516 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531248899 490947923 /nfs/dbraw/zinc/94/79/23/490947923.db2.gz SQHWXLQKRRFYMS-GFCCVEGCSA-N -1 1 365.411 0.448 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cn1C ZINC000518917239 490955063 /nfs/dbraw/zinc/95/50/63/490955063.db2.gz JCBVNVBYWAWQCW-UHFFFAOYSA-N -1 1 353.400 0.557 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)o1 ZINC000557861743 491401637 /nfs/dbraw/zinc/40/16/37/491401637.db2.gz SGFSCJLVQBMKLD-LBPRGKRZSA-N -1 1 354.384 0.906 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H]1C(=O)[O-] ZINC000566241769 491429740 /nfs/dbraw/zinc/42/97/40/491429740.db2.gz JSOSCKNPRNTVPY-SNPRPXQTSA-N -1 1 351.447 0.689 10 0 FCAEMM CCOC(=O)C1CCC(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1 ZINC000566290844 491432864 /nfs/dbraw/zinc/43/28/64/491432864.db2.gz BAPKYYHLWGXUTB-UHFFFAOYSA-N -1 1 358.420 0.906 10 0 FCAEMM CCOC(=O)C1CCC(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1 ZINC000566290844 491432866 /nfs/dbraw/zinc/43/28/66/491432866.db2.gz BAPKYYHLWGXUTB-UHFFFAOYSA-N -1 1 358.420 0.906 10 0 FCAEMM O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000558552958 491435735 /nfs/dbraw/zinc/43/57/35/491435735.db2.gz ISXDMBKHQYFOOD-SNVBAGLBSA-N -1 1 368.394 0.023 10 0 FCAEMM COc1ccc(NC(=O)N2CC(C)(C(N)=O)C2)cc1[N-]S(C)(=O)=O ZINC000573561519 491440696 /nfs/dbraw/zinc/44/06/96/491440696.db2.gz FWLYXVQNEIKNCT-UHFFFAOYSA-N -1 1 356.404 0.406 10 0 FCAEMM CCc1nnc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)s1 ZINC000568684619 491600239 /nfs/dbraw/zinc/60/02/39/491600239.db2.gz XZDHPKYTUVRDMW-UHFFFAOYSA-N -1 1 361.470 0.983 10 0 FCAEMM CCCNC(=O)CN(C)C(=O)CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000580191797 491720991 /nfs/dbraw/zinc/72/09/91/491720991.db2.gz ZYRWPOZYOKXXKD-CVEARBPZSA-N -1 1 361.442 0.771 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)COCc2nc3ccccc3s2)n1 ZINC000586757311 491731594 /nfs/dbraw/zinc/73/15/94/491731594.db2.gz UGCUKSRGVOAREU-UHFFFAOYSA-N -1 1 367.412 0.973 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)COCc2nc3ccccc3s2)[n-]1 ZINC000586757311 491731595 /nfs/dbraw/zinc/73/15/95/491731595.db2.gz UGCUKSRGVOAREU-UHFFFAOYSA-N -1 1 367.412 0.973 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)nc2n1 ZINC000588006741 491737339 /nfs/dbraw/zinc/73/73/39/491737339.db2.gz UAHYEUFFICKVSW-LBPRGKRZSA-N -1 1 373.417 0.592 10 0 FCAEMM CCO[C@@H]1C[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)[C@H]1n1cccn1 ZINC000580622409 491739052 /nfs/dbraw/zinc/73/90/52/491739052.db2.gz YIKWFQJUOZVXPB-OUCADQQQSA-N -1 1 368.415 0.533 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nccn2CC(F)(F)F)o1 ZINC000590050289 491769212 /nfs/dbraw/zinc/76/92/12/491769212.db2.gz GBIIMMLYOQWJKE-UHFFFAOYSA-N -1 1 366.321 0.877 10 0 FCAEMM C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000582475125 491813699 /nfs/dbraw/zinc/81/36/99/491813699.db2.gz GQTZIYMHEHGASP-VPZZIHKRSA-N -1 1 374.441 0.268 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)o1 ZINC000592088124 491831390 /nfs/dbraw/zinc/83/13/90/491831390.db2.gz VOKUMUGOYWHFGO-OAHLLOKOSA-N -1 1 361.416 0.912 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccnn1C ZINC000592091277 491831561 /nfs/dbraw/zinc/83/15/61/491831561.db2.gz HIQHANOCJSUYRP-CQSZACIVSA-N -1 1 369.399 0.630 10 0 FCAEMM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000583757594 491851429 /nfs/dbraw/zinc/85/14/29/491851429.db2.gz YBQXZLGMSQLNAO-MRVPVSSYSA-N -1 1 356.828 0.791 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[n-]s2)[nH]n1 ZINC000583816796 491852683 /nfs/dbraw/zinc/85/26/83/491852683.db2.gz KXWDXDFPXKMKIL-UHFFFAOYSA-N -1 1 374.430 0.958 10 0 FCAEMM O=C(N[C@H]1CCOC[C@H]1O)c1ccc(I)c([O-])c1 ZINC000600593364 491870230 /nfs/dbraw/zinc/87/02/30/491870230.db2.gz SCNZDNTVUBEVAJ-GXSJLCMTSA-N -1 1 363.151 0.876 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCSCC1 ZINC000601380385 491910938 /nfs/dbraw/zinc/91/09/38/491910938.db2.gz VAHWEPVTEKLFIQ-LLVKDONJSA-N -1 1 362.473 0.108 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000595316220 491917483 /nfs/dbraw/zinc/91/74/83/491917483.db2.gz DRIPCAOKAIBHLE-FBIMIBRVSA-N -1 1 356.400 0.662 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 ZINC000601452642 491921394 /nfs/dbraw/zinc/92/13/94/491921394.db2.gz LNNRFKHFXMXDIG-QWHCGFSZSA-N -1 1 372.443 0.844 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)cc1C ZINC000595346556 491922718 /nfs/dbraw/zinc/92/27/18/491922718.db2.gz KEJUANYMPBLOLT-HNNXBMFYSA-N -1 1 361.416 0.831 10 0 FCAEMM COCCOCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595401344 491928611 /nfs/dbraw/zinc/92/86/11/491928611.db2.gz SQXOMCOVIRFVAH-UHFFFAOYSA-N -1 1 367.464 0.460 10 0 FCAEMM COC(=O)[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595401403 491928619 /nfs/dbraw/zinc/92/86/19/491928619.db2.gz VRTMLTXWGHBWBQ-LLVKDONJSA-N -1 1 365.448 0.606 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000613020984 491962747 /nfs/dbraw/zinc/96/27/47/491962747.db2.gz JWHOJEPCOMMXDD-JYAVWHMHSA-N -1 1 368.411 0.244 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ncc[nH]1 ZINC000613021001 491963036 /nfs/dbraw/zinc/96/30/36/491963036.db2.gz KGXHCISEFZHRHM-UHFFFAOYSA-N -1 1 352.372 0.389 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000598525405 492103077 /nfs/dbraw/zinc/10/30/77/492103077.db2.gz UIPNLQXHCAFKGR-UHFFFAOYSA-N -1 1 369.374 0.517 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(OC)c(OC)cc2OC)n[n-]1 ZINC000615920173 492108025 /nfs/dbraw/zinc/10/80/25/492108025.db2.gz NTQLNCYHWCNUIK-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(OC)c(OC)cc2OC)n1 ZINC000615920173 492108027 /nfs/dbraw/zinc/10/80/27/492108027.db2.gz NTQLNCYHWCNUIK-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCN2C(=O)CCc3ccccc32)n1 ZINC000606531550 492123762 /nfs/dbraw/zinc/12/37/62/492123762.db2.gz FCHGELOUWDHWTI-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)CCc3ccccc32)[n-]1 ZINC000606531550 492123763 /nfs/dbraw/zinc/12/37/63/492123763.db2.gz FCHGELOUWDHWTI-UHFFFAOYSA-N -1 1 363.399 0.516 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)n1 ZINC000606531789 492124379 /nfs/dbraw/zinc/12/43/79/492124379.db2.gz XGHTVSPTDPZIFZ-UHFFFAOYSA-N -1 1 351.319 0.853 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)[n-]1 ZINC000606531789 492124381 /nfs/dbraw/zinc/12/43/81/492124381.db2.gz XGHTVSPTDPZIFZ-UHFFFAOYSA-N -1 1 351.319 0.853 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)cc1C ZINC000599524008 492183479 /nfs/dbraw/zinc/18/34/79/492183479.db2.gz KCDSAVWBWITAQS-LLVKDONJSA-N -1 1 356.400 0.806 10 0 FCAEMM COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000600015140 492230424 /nfs/dbraw/zinc/23/04/24/492230424.db2.gz GMUWWYCLFYGCHA-WDEREUQCSA-N -1 1 367.427 0.679 10 0 FCAEMM O=C(NCc1nn[n-]n1)c1[nH]nc2ccc(I)cc21 ZINC000610293679 492241823 /nfs/dbraw/zinc/24/18/23/492241823.db2.gz WONUDPGJJWWJLU-UHFFFAOYSA-N -1 1 369.126 0.611 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ncc4ccccc4c3[O-])C[C@H]21 ZINC000619221114 492253718 /nfs/dbraw/zinc/25/37/18/492253718.db2.gz WPJIBDXMUFTVGW-MJBXVCDLSA-N -1 1 362.407 0.824 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)o1 ZINC000620208417 492298819 /nfs/dbraw/zinc/29/88/19/492298819.db2.gz PCJMVSNGZNZUMD-GFCCVEGCSA-N -1 1 369.443 0.696 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)o1 ZINC000620328788 492303361 /nfs/dbraw/zinc/30/33/61/492303361.db2.gz VTXAVIGKWXQMDH-UHFFFAOYSA-N -1 1 352.359 0.858 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000647578693 492321396 /nfs/dbraw/zinc/32/13/96/492321396.db2.gz VDUHPAWABXRJFN-HYVNUMGLSA-N -1 1 373.453 0.946 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC000647578695 492321872 /nfs/dbraw/zinc/32/18/72/492321872.db2.gz VDUHPAWABXRJFN-PVAVHDDUSA-N -1 1 373.453 0.946 10 0 FCAEMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871293 492491845 /nfs/dbraw/zinc/49/18/45/492491845.db2.gz XECBAYUBUBFZJC-WPRPVWTQSA-N -1 1 364.431 0.612 10 0 FCAEMM COCCOc1cccc(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC000622871009 492492034 /nfs/dbraw/zinc/49/20/34/492492034.db2.gz OGZZYANTZDAHKX-UHFFFAOYSA-N -1 1 357.370 0.932 10 0 FCAEMM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622869999 492492043 /nfs/dbraw/zinc/49/20/43/492492043.db2.gz OJDDDRVOKFZAPP-UHFFFAOYSA-N -1 1 355.280 0.888 10 0 FCAEMM COc1cc2[nH]cc(C(=O)NC[C@@H](O)[C@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600971 492529137 /nfs/dbraw/zinc/52/91/37/492529137.db2.gz HUBRVNAYWPSNRI-ZIAGYGMSSA-N -1 1 362.382 0.815 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3CN(C)C2=O)o1 ZINC000623287435 492538957 /nfs/dbraw/zinc/53/89/57/492538957.db2.gz ANJXHVIWMIMHEU-CQSZACIVSA-N -1 1 363.395 0.631 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCCN(CC(F)(F)F)C3)nc2n1 ZINC000643909093 492600524 /nfs/dbraw/zinc/60/05/24/492600524.db2.gz FBOVVWSUOLBLNO-VIFPVBQESA-N -1 1 358.324 0.939 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)nc2n1 ZINC000643909240 492600747 /nfs/dbraw/zinc/60/07/47/492600747.db2.gz NKBAJPKSMPCUJR-ZETCQYMHSA-N -1 1 358.280 0.075 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)nc2n1 ZINC000643909435 492601421 /nfs/dbraw/zinc/60/14/21/492601421.db2.gz YCUVQEPPTVTHSQ-NSHDSACASA-N -1 1 370.369 0.952 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC000629301400 492604915 /nfs/dbraw/zinc/60/49/15/492604915.db2.gz PXDXCOADKLLMHI-UHFFFAOYSA-N -1 1 362.398 0.929 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629402201 492622286 /nfs/dbraw/zinc/62/22/86/492622286.db2.gz KRGFQPAPAXIWNB-LBPRGKRZSA-N -1 1 361.402 0.087 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cccc3c2CCNC3=O)CCOCC1 ZINC000650206722 492622463 /nfs/dbraw/zinc/62/24/63/492622463.db2.gz JQXUIKOQXUTKBY-UHFFFAOYSA-N -1 1 354.428 0.910 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)[C@@H]1CCOC1 ZINC000656734207 492647289 /nfs/dbraw/zinc/64/72/89/492647289.db2.gz RXWOGYGNVDVGTD-DGCLKSJQSA-N -1 1 353.404 0.456 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000629574560 492651865 /nfs/dbraw/zinc/65/18/65/492651865.db2.gz FVDCTBXZWGIUCR-CYBMUJFWSA-N -1 1 364.423 0.936 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1ncccc1Br ZINC000656871208 492656065 /nfs/dbraw/zinc/65/60/65/492656065.db2.gz XGLMKCZEDDCIOZ-QMMMGPOBSA-N -1 1 369.262 0.557 10 0 FCAEMM O=C1C[C@@H]([N-]S(=O)(=O)c2ncccc2Br)CN1C1CC1 ZINC000656928109 492671269 /nfs/dbraw/zinc/67/12/69/492671269.db2.gz QHYFMFFGWBSFPR-MRVPVSSYSA-N -1 1 360.233 0.886 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1ncccc1Br)NCC(F)F ZINC000656978651 492684930 /nfs/dbraw/zinc/68/49/30/492684930.db2.gz JABZSABEMIIPQY-UHFFFAOYSA-N -1 1 358.164 0.504 10 0 FCAEMM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000629879618 492692602 /nfs/dbraw/zinc/69/26/02/492692602.db2.gz SVFBWBDUUXMMRM-ZZKXABKFSA-N -1 1 369.443 0.862 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)[C@@H]1CCOC1 ZINC000657046022 492703304 /nfs/dbraw/zinc/70/33/04/492703304.db2.gz XTAPUDXNJGIEOF-BDAKNGLRSA-N -1 1 357.354 0.769 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000657101806 492721281 /nfs/dbraw/zinc/72/12/81/492721281.db2.gz VGMVPWCDOLUTCE-NXEZZACHSA-N -1 1 357.812 0.569 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)[n-]1 ZINC000651618840 492794580 /nfs/dbraw/zinc/79/45/80/492794580.db2.gz YWCWVNQIHIPEIF-ZBFHGGJFSA-N -1 1 370.457 0.999 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)CN1C1CC1 ZINC000632014973 492911534 /nfs/dbraw/zinc/91/15/34/492911534.db2.gz XYBVBEAZPBCUCF-GWCFXTLKSA-N -1 1 360.382 0.681 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCC1 ZINC000632048249 492919689 /nfs/dbraw/zinc/91/96/89/492919689.db2.gz DUJXBGJMGHOMAP-YPMHNXCESA-N -1 1 356.448 0.402 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1CSC1 ZINC000632136357 492937189 /nfs/dbraw/zinc/93/71/89/492937189.db2.gz OCQZFOZKRGZXSL-UHFFFAOYSA-N -1 1 358.441 0.715 10 0 FCAEMM COc1ccc(NC(=O)NC[C@H]2COCCN2C)cc1[N-]S(C)(=O)=O ZINC000626408556 492972882 /nfs/dbraw/zinc/97/28/82/492972882.db2.gz ZZBWELUHHYWIQV-LBPRGKRZSA-N -1 1 372.447 0.519 10 0 FCAEMM O=C(CCc1nn[n-]n1)N(CCO)Cc1cc(Br)cs1 ZINC000632756351 493085810 /nfs/dbraw/zinc/08/58/10/493085810.db2.gz DEYVJCAVPDZYKL-UHFFFAOYSA-N -1 1 360.237 0.977 10 0 FCAEMM Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000660115223 493326395 /nfs/dbraw/zinc/32/63/95/493326395.db2.gz ICBFJDZJIFSWLL-CQSZACIVSA-N -1 1 363.439 0.748 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1CCN(C2CC2)C1=O ZINC000668744351 493404285 /nfs/dbraw/zinc/40/42/85/493404285.db2.gz NTHDNMYQPUBPHI-UHFFFAOYSA-N -1 1 358.402 0.568 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)sc1C ZINC000676414550 493550330 /nfs/dbraw/zinc/55/03/30/493550330.db2.gz UIIHMTWIFFJFOY-UHFFFAOYSA-N -1 1 355.507 0.756 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000670406716 493561567 /nfs/dbraw/zinc/56/15/67/493561567.db2.gz AWALCHPMBAQPIW-CYBMUJFWSA-N -1 1 352.460 0.178 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@H](C)O1 ZINC000663633487 493607729 /nfs/dbraw/zinc/60/77/29/493607729.db2.gz ITBBZICHAKZYAH-VNHYZAJKSA-N -1 1 369.462 0.219 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C3CCC3)C2)n[nH]1 ZINC000663634214 493608000 /nfs/dbraw/zinc/60/80/00/493608000.db2.gz DSGFMVIWPCVIDC-CHWSQXEVSA-N -1 1 363.418 0.436 10 0 FCAEMM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677924882 493624520 /nfs/dbraw/zinc/62/45/20/493624520.db2.gz BGMNRULATDKPMO-QWRGUYRKSA-N -1 1 368.401 0.601 10 0 FCAEMM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000677926499 493624937 /nfs/dbraw/zinc/62/49/37/493624937.db2.gz JZLNLHPJWMLLIN-LBPRGKRZSA-N -1 1 355.358 0.423 10 0 FCAEMM CN(C)Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000446823914 536002024 /nfs/dbraw/zinc/00/20/24/536002024.db2.gz BTZRQHASEUIUPJ-UHFFFAOYSA-N -1 1 363.443 0.791 10 0 FCAEMM O=C(NCCCN1CCCS1(=O)=O)c1nc2ccccc2c(=O)[n-]1 ZINC000585821012 546571597 /nfs/dbraw/zinc/57/15/97/546571597.db2.gz LZCMHVZUPGTPQS-UHFFFAOYSA-N -1 1 350.400 0.079 10 0 FCAEMM COC(=O)C[C@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OC ZINC000592012319 546605372 /nfs/dbraw/zinc/60/53/72/546605372.db2.gz NECZJZZYDRFFAY-LBPRGKRZSA-N -1 1 351.421 0.217 10 0 FCAEMM COCC1(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 ZINC000592105564 546608236 /nfs/dbraw/zinc/60/82/36/546608236.db2.gz IVEUVKHCVKDIPU-GFCCVEGCSA-N -1 1 359.448 0.901 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)c1ccnn1C ZINC000592092919 546609403 /nfs/dbraw/zinc/60/94/03/546609403.db2.gz RBBARDGTSKOSJC-WCFLWFBJSA-N -1 1 373.431 0.285 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000592859958 546671140 /nfs/dbraw/zinc/67/11/40/546671140.db2.gz QBHJOEVZUCMCQO-UHFFFAOYSA-N -1 1 369.378 0.436 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(N3CCOCC3)c(F)c2)[n-]1 ZINC000592859958 546671145 /nfs/dbraw/zinc/67/11/45/546671145.db2.gz QBHJOEVZUCMCQO-UHFFFAOYSA-N -1 1 369.378 0.436 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)c1ccccc1 ZINC000594753952 546819473 /nfs/dbraw/zinc/81/94/73/546819473.db2.gz XGLYDWHXXOWTBL-RRFJBIMHSA-N -1 1 357.428 0.872 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CCSCC1 ZINC000594766414 546821861 /nfs/dbraw/zinc/82/18/61/546821861.db2.gz VYQDZVBFQAOGKZ-RYUDHWBXSA-N -1 1 367.489 0.396 10 0 FCAEMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594791923 546825145 /nfs/dbraw/zinc/82/51/45/546825145.db2.gz AGOMIAMPTBLCGO-FRRDWIJNSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)cc(C(N)=O)c1)c1ccnn1C ZINC000594794909 546826298 /nfs/dbraw/zinc/82/62/98/546826298.db2.gz LVDRLZFSACRVGH-CYBMUJFWSA-N -1 1 366.399 0.020 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)o1 ZINC000594806419 546828273 /nfs/dbraw/zinc/82/82/73/546828273.db2.gz ADGSZSKVFJBTQL-IJLUTSLNSA-N -1 1 361.416 0.911 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CCOC1 ZINC000866947171 665237711 /nfs/dbraw/zinc/23/77/11/665237711.db2.gz NMOGWWDNYICEHZ-JTQLQIEISA-N -1 1 357.310 0.049 10 0 FCAEMM Cn1ncc(Br)c1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479223 666136405 /nfs/dbraw/zinc/13/64/05/666136405.db2.gz ZXXDWAAIUOUXTR-VIFPVBQESA-N -1 1 372.252 0.555 10 0 FCAEMM CS(=O)(=O)N1CC(CNC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000907550338 666142633 /nfs/dbraw/zinc/14/26/33/666142633.db2.gz VOVQGGPGTUSBOH-UHFFFAOYSA-N -1 1 353.375 0.701 10 0 FCAEMM CO[C@@H]1CN(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)[C@@](C)(C(=O)[O-])C1 ZINC000908772967 666216933 /nfs/dbraw/zinc/21/69/33/666216933.db2.gz ZNYOQAPTXHBPRY-AYMQEEERSA-N -1 1 357.451 0.759 10 0 FCAEMM CN1CCN(c2cccc(C(=O)NCc3ncc(C(=O)[O-])s3)n2)CC1 ZINC000910817724 666280729 /nfs/dbraw/zinc/28/07/29/666280729.db2.gz ZGZARDWSVPYUTR-UHFFFAOYSA-N -1 1 361.427 0.918 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912732188 666470922 /nfs/dbraw/zinc/47/09/22/666470922.db2.gz ULVRICRYGHWYBJ-NRUUGDAUSA-N -1 1 370.393 0.869 10 0 FCAEMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCCCCO)CC1 ZINC000913693681 666643218 /nfs/dbraw/zinc/64/32/18/666643218.db2.gz MBISPBFEAXJVGK-UHFFFAOYSA-N -1 1 353.385 0.750 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)c1F ZINC000914362728 666746142 /nfs/dbraw/zinc/74/61/42/666746142.db2.gz GBQSHZNNMKOCOA-LURJTMIESA-N -1 1 367.196 0.764 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000752622314 667523615 /nfs/dbraw/zinc/52/36/15/667523615.db2.gz FOFYKTDLBOAYQZ-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)n[n-]1 ZINC000752622314 667523617 /nfs/dbraw/zinc/52/36/17/667523617.db2.gz FOFYKTDLBOAYQZ-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC000921911752 667540284 /nfs/dbraw/zinc/54/02/84/667540284.db2.gz SXCXVNOFBFMXCN-ZDUSSCGKSA-N -1 1 351.494 0.336 10 0 FCAEMM COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000921972013 667556881 /nfs/dbraw/zinc/55/68/81/667556881.db2.gz WQKIHMPOXIPORC-SFYZADRCSA-N -1 1 366.237 0.721 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000758192770 667746865 /nfs/dbraw/zinc/74/68/65/667746865.db2.gz PXGMPCFIEWYBEW-NSHDSACASA-N -1 1 363.805 0.370 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCCc2cn[nH]n2)cc1 ZINC000774178817 668132898 /nfs/dbraw/zinc/13/28/98/668132898.db2.gz HTYKXGOLDIHHMQ-UHFFFAOYSA-N -1 1 365.415 0.382 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)O)c(=O)[nH]c1=O ZINC000769649856 668145791 /nfs/dbraw/zinc/14/57/91/668145791.db2.gz AVQNDGBPQOURQV-LLVKDONJSA-N -1 1 361.464 0.967 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2ccn(C)n2)c(=O)[nH]c1=O ZINC000769672077 668148447 /nfs/dbraw/zinc/14/84/47/668148447.db2.gz NEVDTKHQWPGLRK-UHFFFAOYSA-N -1 1 369.447 0.741 10 0 FCAEMM Cn1[n-]c(COC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000782415045 668560553 /nfs/dbraw/zinc/56/05/53/668560553.db2.gz MTURBXQVVDENKF-UHFFFAOYSA-N -1 1 356.379 0.178 10 0 FCAEMM CC(=O)N1CCC[C@@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)C1 ZINC000782649957 668574098 /nfs/dbraw/zinc/57/40/98/668574098.db2.gz UGOSLDAGNUYSER-LLVKDONJSA-N -1 1 354.325 0.483 10 0 FCAEMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OCC ZINC000788667540 668837587 /nfs/dbraw/zinc/83/75/87/668837587.db2.gz GJINONABERIQAW-BREXMAIKSA-N -1 1 359.404 0.681 10 0 FCAEMM COc1cccc(C2=NO[C@@H](C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)C2)c1 ZINC000792639320 668906300 /nfs/dbraw/zinc/90/63/00/668906300.db2.gz WKZLZXCFFNWCKU-LLVKDONJSA-N -1 1 365.371 0.349 10 0 FCAEMM COc1cccc(C2=NO[C@@H](C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)C2)c1 ZINC000792639320 668906301 /nfs/dbraw/zinc/90/63/01/668906301.db2.gz WKZLZXCFFNWCKU-LLVKDONJSA-N -1 1 365.371 0.349 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)c2ccnc3n[nH]nc32)C1)C(F)(F)F ZINC000793470715 668929261 /nfs/dbraw/zinc/92/92/61/668929261.db2.gz ZVOTUIZVUUAFOO-MRVPVSSYSA-N -1 1 356.308 0.884 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)c1Cl ZINC000796177304 669085028 /nfs/dbraw/zinc/08/50/28/669085028.db2.gz LRWOQHYHFMVOCN-VIFPVBQESA-N -1 1 370.884 0.166 10 0 FCAEMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867028240 669331731 /nfs/dbraw/zinc/33/17/31/669331731.db2.gz YOEUHHPVZKXHRD-YFKPBYRVSA-N -1 1 365.280 0.914 10 0 FCAEMM CSc1nc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(=O)[n-]1 ZINC000824602858 669402371 /nfs/dbraw/zinc/40/23/71/669402371.db2.gz LQTDOGIRZFZBJJ-OLZOCXBDSA-N -1 1 368.459 0.400 10 0 FCAEMM CSCC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)N(C)C ZINC000808327512 669561775 /nfs/dbraw/zinc/56/17/75/669561775.db2.gz BEPJRLMUQVFYAT-VIFPVBQESA-N -1 1 368.912 0.870 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1ccnn1C ZINC000828132631 669618932 /nfs/dbraw/zinc/61/89/32/669618932.db2.gz LFXJNOMTDKTULP-CYBMUJFWSA-N -1 1 353.404 0.219 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(OC)n2)co1 ZINC000811162621 669740220 /nfs/dbraw/zinc/74/02/20/669740220.db2.gz KOSWKUWEAJBMNE-UHFFFAOYSA-N -1 1 354.340 0.631 10 0 FCAEMM COCn1nc(C)c(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)c1C ZINC000818049331 670058075 /nfs/dbraw/zinc/05/80/75/670058075.db2.gz CEKPKXAATPKOHN-UHFFFAOYSA-N -1 1 356.408 0.516 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)c1C(F)(F)F ZINC000867211143 670075703 /nfs/dbraw/zinc/07/57/03/670075703.db2.gz HDMDTIHAYHETEA-UHFFFAOYSA-N -1 1 361.367 0.294 10 0 FCAEMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837283651 670093693 /nfs/dbraw/zinc/09/36/93/670093693.db2.gz GFMKGGGRKPFSFX-CQSZACIVSA-N -1 1 351.384 0.925 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCc3nn(C)cc32)CCC1 ZINC000843012956 670766196 /nfs/dbraw/zinc/76/61/96/670766196.db2.gz ANBWMBQVAKTVRL-GFCCVEGCSA-N -1 1 354.476 0.770 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC000867316003 670767154 /nfs/dbraw/zinc/76/71/54/670767154.db2.gz CXVXNRZJRVEDLD-NSHDSACASA-N -1 1 356.400 0.864 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(-n3ccnn3)cc2)CCC1 ZINC000843015937 670767547 /nfs/dbraw/zinc/76/75/47/670767547.db2.gz JUNLMYAGKOAXEO-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCCn2ccccc2=O)CCC1 ZINC000843018983 670768580 /nfs/dbraw/zinc/76/85/80/670768580.db2.gz XNZOWJRWQMUUJB-UHFFFAOYSA-N -1 1 355.460 0.559 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCNC(=O)c2cccs2)CCC1 ZINC000843019677 670769226 /nfs/dbraw/zinc/76/92/26/670769226.db2.gz XUQJXUZDFNRVGZ-UHFFFAOYSA-N -1 1 373.500 0.798 10 0 FCAEMM CC(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1 ZINC000843019333 670769236 /nfs/dbraw/zinc/76/92/36/670769236.db2.gz NYHAJICZGLNVPG-UHFFFAOYSA-N -1 1 373.519 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(-c3ccccc3)nn2)CCC1 ZINC000843019631 670769280 /nfs/dbraw/zinc/76/92/80/670769280.db2.gz TXNIGNPUCNUMSA-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C2(CF)CCOCC2)c1Br ZINC000867332787 670851224 /nfs/dbraw/zinc/85/12/24/670851224.db2.gz BBXJMJGBQPDQDM-UHFFFAOYSA-N -1 1 356.217 0.980 10 0 FCAEMM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000845975593 671059860 /nfs/dbraw/zinc/05/98/60/671059860.db2.gz KTMBWGCTAYBGQN-LLVKDONJSA-N -1 1 353.412 0.931 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)c(=O)n(C)c1=O ZINC000845979113 671060484 /nfs/dbraw/zinc/06/04/84/671060484.db2.gz GVEKHDHEGVKHKZ-RYUDHWBXSA-N -1 1 353.803 0.067 10 0 FCAEMM COc1cccc(S(=O)(=O)CCN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC000846281990 671099171 /nfs/dbraw/zinc/09/91/71/671099171.db2.gz LGRUJFYSTMMRQN-SUMWQHHRSA-N -1 1 369.439 0.892 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000847323655 671183086 /nfs/dbraw/zinc/18/30/86/671183086.db2.gz QIYZCCIFUYQWAY-GMTAPVOTSA-N -1 1 364.368 0.848 10 0 FCAEMM COc1cc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c(C2CC2)cc1Cl ZINC000847515108 671201905 /nfs/dbraw/zinc/20/19/05/671201905.db2.gz RDPVYKJWFUQHFE-UHFFFAOYSA-N -1 1 366.761 0.748 10 0 FCAEMM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000848456638 671277276 /nfs/dbraw/zinc/27/72/76/671277276.db2.gz YWVKWWZAFSRECB-VIFPVBQESA-N -1 1 351.327 0.710 10 0 FCAEMM COC1(CS(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)CCOCC1 ZINC000849460177 671349607 /nfs/dbraw/zinc/34/96/07/671349607.db2.gz GYQSJUFPIXSAFI-YPMHNXCESA-N -1 1 355.403 0.916 10 0 FCAEMM COc1cc(CS(=O)(=O)[N-]C(=O)CCCCc2cn[nH]n2)sn1 ZINC000851436798 671441522 /nfs/dbraw/zinc/44/15/22/671441522.db2.gz PMNASEDQQCSFGA-UHFFFAOYSA-N -1 1 359.433 0.629 10 0 FCAEMM C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)CCN1S(C)(=O)=O ZINC000852530411 671512060 /nfs/dbraw/zinc/51/20/60/671512060.db2.gz CZTHTJFFOUPZQC-LLVKDONJSA-N -1 1 352.412 0.964 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1nnnn1C1CC1 ZINC000852734360 671520767 /nfs/dbraw/zinc/52/07/67/671520767.db2.gz AFGWNVJIFQUKCZ-SCZZXKLOSA-N -1 1 362.312 0.104 10 0 FCAEMM CCc1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852734492 671520852 /nfs/dbraw/zinc/52/08/52/671520852.db2.gz BNXMTLJXZCRQEV-XVKPBYJWSA-N -1 1 350.297 0.728 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])ncn1 ZINC000852958128 671533773 /nfs/dbraw/zinc/53/37/73/671533773.db2.gz DRABEWKELALLQX-PSASIEDQSA-N -1 1 360.292 0.521 10 0 FCAEMM C[C@H](O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000855748763 671662857 /nfs/dbraw/zinc/66/28/57/671662857.db2.gz PYSPBFDUWQCNKC-GUBZILKMSA-N -1 1 368.352 0.747 10 0 FCAEMM CO[C@H](C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000856414282 671687222 /nfs/dbraw/zinc/68/72/22/671687222.db2.gz FNLQUBXNIRIJBP-WYUUTHIRSA-N -1 1 352.353 0.953 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2Cc3ccccc32)o1 ZINC000803501482 675931476 /nfs/dbraw/zinc/93/14/76/675931476.db2.gz HITGJSMBDPOIAW-NSHDSACASA-N -1 1 364.379 0.540 10 0 FCAEMM NC(=O)C1([N-]S(=O)(=O)c2ccc(Br)nc2F)CCC1 ZINC000859074656 671791962 /nfs/dbraw/zinc/79/19/62/671791962.db2.gz FADFPHIMWXWYSI-UHFFFAOYSA-N -1 1 352.185 0.670 10 0 FCAEMM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859148995 671796425 /nfs/dbraw/zinc/79/64/25/671796425.db2.gz PAOPFQRKDXOHJJ-SSDOTTSWSA-N -1 1 366.212 0.882 10 0 FCAEMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859415515 671824848 /nfs/dbraw/zinc/82/48/48/671824848.db2.gz REDQWQYDMACYHA-ZCFIWIBFSA-N -1 1 370.200 0.670 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1 ZINC000860350114 671882065 /nfs/dbraw/zinc/88/20/65/671882065.db2.gz WDURZVIIFAWPHP-AYYIZTPMSA-N -1 1 351.388 0.616 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@]2(C3CCCC3)CCNC2=O)CCC1 ZINC000860847879 671921691 /nfs/dbraw/zinc/92/16/91/671921691.db2.gz SCOYNAIWBGWIII-KRWDZBQOSA-N -1 1 371.503 0.613 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCO1 ZINC000862636039 672058170 /nfs/dbraw/zinc/05/81/70/672058170.db2.gz DMHIROZMZUKVQI-LLVKDONJSA-N -1 1 351.407 0.384 10 0 FCAEMM COC(=O)[C@@]1(NC(=O)CCn2cc[n-]c(=O)c2=O)CCCC(C)(C)C1 ZINC000862728902 672069662 /nfs/dbraw/zinc/06/96/62/672069662.db2.gz IDWVMPCONDVTAQ-QGZVFWFLSA-N -1 1 351.403 0.555 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000863049156 672099875 /nfs/dbraw/zinc/09/98/75/672099875.db2.gz CLPCRFMCOQWIND-MNOVXSKESA-N -1 1 352.441 0.810 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000863158716 672102611 /nfs/dbraw/zinc/10/26/11/672102611.db2.gz NAXBNWFEQHEPQD-UHFFFAOYSA-N -1 1 352.391 0.413 10 0 FCAEMM Cn1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(C(C)(C)C)n1 ZINC000864434868 672195935 /nfs/dbraw/zinc/19/59/35/672195935.db2.gz UOHCYJGLSFJWEC-UHFFFAOYSA-N -1 1 358.464 0.499 10 0 FCAEMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000866700817 672289258 /nfs/dbraw/zinc/28/92/58/672289258.db2.gz ITWSOTPADYCAEA-QMMMGPOBSA-N -1 1 354.354 0.727 10 0 FCAEMM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866710532 672290656 /nfs/dbraw/zinc/29/06/56/672290656.db2.gz ZRTLHJUMSMNUEE-MRVPVSSYSA-N -1 1 370.353 0.948 10 0 FCAEMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)CC2 ZINC000866717188 672291872 /nfs/dbraw/zinc/29/18/72/672291872.db2.gz XPUVWSAGLDMGAU-QMMMGPOBSA-N -1 1 364.353 0.632 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1nc(C2CC2)no1 ZINC000866723542 672292692 /nfs/dbraw/zinc/29/26/92/672292692.db2.gz FJUWUMPDQHWAHG-CHWSQXEVSA-N -1 1 358.464 0.894 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c1C(F)(F)F ZINC000866761321 672300270 /nfs/dbraw/zinc/30/02/70/672300270.db2.gz UCOFXILBSGOGAN-VIFPVBQESA-N -1 1 357.354 0.770 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c1C(F)(F)F ZINC000866775331 672303398 /nfs/dbraw/zinc/30/33/98/672303398.db2.gz AOKWKBMYDXJVNH-ZETCQYMHSA-N -1 1 361.367 0.294 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c1C(F)(F)F ZINC000866792857 672306431 /nfs/dbraw/zinc/30/64/31/672306431.db2.gz CAAAWOLVTAGXTI-SECBINFHSA-N -1 1 357.354 0.913 10 0 FCAEMM O=S(=O)(CC[N-]S(=O)(=O)c1ccc(F)nc1F)CC(F)(F)F ZINC000867509393 672328345 /nfs/dbraw/zinc/32/83/45/672328345.db2.gz NPNLZLLVFMPXKW-UHFFFAOYSA-N -1 1 368.305 0.615 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3c(F)cccc3Cl)COCCN12 ZINC000867749292 672362840 /nfs/dbraw/zinc/36/28/40/672362840.db2.gz MERNDFAVPLUECG-ZDUSSCGKSA-N -1 1 364.782 0.979 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3ccc(F)c(F)c3F)COCCN12 ZINC000867751456 672363764 /nfs/dbraw/zinc/36/37/64/672363764.db2.gz OIDKPVUMINIFEO-ZDUSSCGKSA-N -1 1 366.317 0.603 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1ccccc1F ZINC000867762791 672364569 /nfs/dbraw/zinc/36/45/69/672364569.db2.gz KBAGJKYRXBVUNI-ZDUSSCGKSA-N -1 1 361.391 0.940 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000868746704 672409286 /nfs/dbraw/zinc/40/92/86/672409286.db2.gz NDBPLOXDECDRRQ-CHWSQXEVSA-N -1 1 353.341 0.380 10 0 FCAEMM O=S(=O)(C[C@@H]1CNCCO1)[N-]CC(F)(F)c1ccc(F)cc1F ZINC000871806917 672572014 /nfs/dbraw/zinc/57/20/14/672572014.db2.gz OULWLKOKBZBTPO-JTQLQIEISA-N -1 1 356.341 0.964 10 0 FCAEMM Cn1ncc(Br)c1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000879264101 673108761 /nfs/dbraw/zinc/10/87/61/673108761.db2.gz WUDYBICGCJOPFV-QMMMGPOBSA-N -1 1 354.212 0.644 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)CCOC1 ZINC000886096697 673557800 /nfs/dbraw/zinc/55/78/00/673557800.db2.gz JPZHMBCFJQCPPD-KRWDZBQOSA-N -1 1 354.353 0.895 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)CCOC1 ZINC000886096615 673557835 /nfs/dbraw/zinc/55/78/35/673557835.db2.gz GKFDUDUQGPDWIV-HNNXBMFYSA-N -1 1 356.810 0.315 10 0 FCAEMM C[C@H](O)[C@@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000717384691 673576740 /nfs/dbraw/zinc/57/67/40/673576740.db2.gz JTDHSJOQIJUBND-WKEGUHRASA-N -1 1 351.140 0.468 10 0 FCAEMM CN(CC(=O)N1CCOCC1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927781563 673881165 /nfs/dbraw/zinc/88/11/65/673881165.db2.gz QZOCGHFEOKNXIE-UHFFFAOYSA-N -1 1 357.357 0.713 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000927784384 673881249 /nfs/dbraw/zinc/88/12/49/673881249.db2.gz GFPJOJWGKOZPRM-KBPBESRZSA-N -1 1 355.341 0.512 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000927938812 673891965 /nfs/dbraw/zinc/89/19/65/673891965.db2.gz HYYWIFVTYPHPTG-RISCZKNCSA-N -1 1 353.394 0.772 10 0 FCAEMM O=C(NCCN1CCCS1(=O)=O)c1c([O-])cnc2c(F)cccc21 ZINC000900437729 675681680 /nfs/dbraw/zinc/68/16/80/675681680.db2.gz XSFKPXYCPTWSII-UHFFFAOYSA-N -1 1 353.375 0.845 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCN(C2CCC2)C1=O ZINC001687219713 1169996118 /nfs/dbraw/zinc/99/61/18/1169996118.db2.gz XVEOLJRZIWOVAA-CYBMUJFWSA-N -1 1 361.402 0.208 10 0 FCAEMM CN(C)C(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001719680459 1179345341 /nfs/dbraw/zinc/34/53/41/1179345341.db2.gz JGHNTDADHZNNOA-XIKOKIGWSA-N -1 1 360.414 0.186 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NC[C@]12COC(=O)N1CCOC2 ZINC001687373001 1181257877 /nfs/dbraw/zinc/25/78/77/1181257877.db2.gz NHMCAUCOKORTIU-INIZCTEOSA-N -1 1 371.340 0.733 10 0 FCAEMM CCCN(C(=O)[C@H]1OCC[C@H]1CC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001267541813 1181725711 /nfs/dbraw/zinc/72/57/11/1181725711.db2.gz IXNFOOKKIJYYSD-YCPHGPKFSA-N -1 1 365.478 0.736 10 0 FCAEMM CC(=O)NCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001719888128 1188409819 /nfs/dbraw/zinc/40/98/19/1188409819.db2.gz HYDQYICPWSWIQF-MCIONIFRSA-N -1 1 374.441 0.811 10 0 FCAEMM O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000910686533 1195833743 /nfs/dbraw/zinc/83/37/43/1195833743.db2.gz CVDRCTRLNRPQDI-NVXWUHKLSA-N -1 1 371.441 0.212 10 0 FCAEMM CN1CCN(c2cc(C(=O)NCc3ccc(C(=O)[O-])cn3)ccn2)CC1 ZINC000911732474 1196310768 /nfs/dbraw/zinc/31/07/68/1196310768.db2.gz NORLPLFQIKHPOB-UHFFFAOYSA-N -1 1 355.398 0.857 10 0 FCAEMM CN1CCN(C(=O)CCNC(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000914064820 1197216935 /nfs/dbraw/zinc/21/69/35/1197216935.db2.gz UNUPKDQUOXZISZ-UHFFFAOYSA-N -1 1 370.400 0.676 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCNC(=O)C3)n[nH]2)cc1C ZINC000152574269 1197486138 /nfs/dbraw/zinc/48/61/38/1197486138.db2.gz RWBWBFWAIKJEJP-CYBMUJFWSA-N -1 1 355.398 0.981 10 0 FCAEMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000786491740 1200840698 /nfs/dbraw/zinc/84/06/98/1200840698.db2.gz AAVNCXBZJRHTSR-JTQLQIEISA-N -1 1 362.390 0.783 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000787663556 1200897207 /nfs/dbraw/zinc/89/72/07/1200897207.db2.gz WKKJWNIACRHCNY-QWRGUYRKSA-N -1 1 366.418 0.800 10 0 FCAEMM C=CC(=O)NCCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000790159806 1201056633 /nfs/dbraw/zinc/05/66/33/1201056633.db2.gz LKHCJRIVNPNIOL-UHFFFAOYSA-N -1 1 371.397 0.957 10 0 FCAEMM COCCOCc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)ccc1F ZINC001170384304 1201208494 /nfs/dbraw/zinc/20/84/94/1201208494.db2.gz RWCQHZHMOMROHT-AWEZNQCLSA-N -1 1 365.365 0.716 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3COc4ccccc4O3)ccnc1-2 ZINC000806829757 1202780358 /nfs/dbraw/zinc/78/03/58/1202780358.db2.gz VOMQJHHUTOJPDE-LLVKDONJSA-N -1 1 367.365 0.237 10 0 FCAEMM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806942717 1202799648 /nfs/dbraw/zinc/79/96/48/1202799648.db2.gz DBHIWNPFHKXIDC-CQSZACIVSA-N -1 1 372.429 0.140 10 0 FCAEMM O=C(CNC(=O)c1cccnc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810905757 1202955022 /nfs/dbraw/zinc/95/50/22/1202955022.db2.gz VCQRVHICNQHLFR-NSHDSACASA-N -1 1 372.347 0.729 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000813445489 1202995357 /nfs/dbraw/zinc/99/53/57/1202995357.db2.gz YOHOCDXIXBPZHD-GHMZBOCLSA-N -1 1 370.385 0.305 10 0 FCAEMM COC(=O)CC1(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCC1 ZINC000821574956 1203207875 /nfs/dbraw/zinc/20/78/75/1203207875.db2.gz GQVYECBVZATZGK-UHFFFAOYSA-N -1 1 359.386 0.272 10 0 FCAEMM Cn1ccnc1CNc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC001136655653 1203244862 /nfs/dbraw/zinc/24/48/62/1203244862.db2.gz CLRBXWRQDHOZOD-CQSZACIVSA-N -1 1 368.401 0.759 10 0 FCAEMM C[C@H](CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ncccc1[O-] ZINC001487493208 1204540550 /nfs/dbraw/zinc/54/05/50/1204540550.db2.gz VKZBCMCJKQNPCJ-UPJWGTAASA-N -1 1 362.430 0.704 10 0 FCAEMM CCOC(=O)CC1(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCC1 ZINC000846006375 1204575825 /nfs/dbraw/zinc/57/58/25/1204575825.db2.gz UXIVHDFDCJKVND-UHFFFAOYSA-N -1 1 373.413 0.663 10 0 FCAEMM Cn1cc(CCNC(=O)CNC(=O)c2ncccc2[O-])c2cccnc21 ZINC001171898813 1206253485 /nfs/dbraw/zinc/25/34/85/1206253485.db2.gz SHZBALOOEAOEFR-UHFFFAOYSA-N -1 1 353.382 0.763 10 0 FCAEMM O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(c2nn[n-]n2)CC1 ZINC001174929455 1206297211 /nfs/dbraw/zinc/29/72/11/1206297211.db2.gz JAEBSGMLPDVZNH-UHFFFAOYSA-N -1 1 368.397 0.982 10 0 FCAEMM O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175203666 1206300619 /nfs/dbraw/zinc/30/06/19/1206300619.db2.gz BXMRKFKPVNCUEE-AWEZNQCLSA-N -1 1 370.365 0.661 10 0 FCAEMM Cc1ccn2c(c1)ncc(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)c2=O ZINC001175204258 1206301174 /nfs/dbraw/zinc/30/11/74/1206301174.db2.gz KGYVOOUMEYXCBF-UHFFFAOYSA-N -1 1 367.365 0.501 10 0 FCAEMM CN1C(=O)c2ccc(C(=O)N3CCC[C@H](Cc4nn[n-]n4)C3)cc2C1=O ZINC001177866679 1206347519 /nfs/dbraw/zinc/34/75/19/1206347519.db2.gz OVBDPEBVSKFXPP-SNVBAGLBSA-N -1 1 354.370 0.520 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001488412636 1208512409 /nfs/dbraw/zinc/51/24/09/1208512409.db2.gz UICUHQZRUINAMA-JHJVBQTASA-N -1 1 359.382 0.733 10 0 FCAEMM CCOCCC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)[C@@H]1CC ZINC001489106784 1208626369 /nfs/dbraw/zinc/62/63/69/1208626369.db2.gz TYSZVHAPSOKQKX-LSDHHAIUSA-N -1 1 361.446 0.918 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001489334788 1208770547 /nfs/dbraw/zinc/77/05/47/1208770547.db2.gz DHFGGOPVQBESGI-DNFKICFMSA-N -1 1 360.414 0.717 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001489441762 1208831573 /nfs/dbraw/zinc/83/15/73/1208831573.db2.gz GEOTZYSPKXWBNT-MWLCHTKSSA-N -1 1 363.418 0.066 10 0 FCAEMM CC[C@@H](SC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001489516331 1208872438 /nfs/dbraw/zinc/87/24/38/1208872438.db2.gz IHNXSQGVHVMDAZ-RAIGVLPGSA-N -1 1 353.444 0.884 10 0 FCAEMM CC[C@H](SC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001489516332 1208872477 /nfs/dbraw/zinc/87/24/77/1208872477.db2.gz IHNXSQGVHVMDAZ-RTXFEEFZSA-N -1 1 353.444 0.884 10 0 FCAEMM CNC(=O)CCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001490104436 1209232043 /nfs/dbraw/zinc/23/20/43/1209232043.db2.gz LAFJMUIQHUNHAG-OLZOCXBDSA-N -1 1 362.430 0.813 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001490207448 1209271360 /nfs/dbraw/zinc/27/13/60/1209271360.db2.gz IBMUYFZCJAVGRV-SUFBMKPHSA-N -1 1 360.414 0.232 10 0 FCAEMM C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001490218999 1209289678 /nfs/dbraw/zinc/28/96/78/1209289678.db2.gz MRUAOACLPCGOKF-IUUKEHGRSA-N -1 1 360.414 0.219 10 0 FCAEMM COCCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001490274119 1209292624 /nfs/dbraw/zinc/29/26/24/1209292624.db2.gz ZLMRFZCONVSGCE-CHWSQXEVSA-N -1 1 351.403 0.275 10 0 FCAEMM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001490476911 1209356318 /nfs/dbraw/zinc/35/63/18/1209356318.db2.gz LWYYUBYNJFJBMF-RDTXWAMCSA-N -1 1 360.414 0.424 10 0 FCAEMM CN1C[C@H](C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)NC1=O ZINC000854966761 1209653018 /nfs/dbraw/zinc/65/30/18/1209653018.db2.gz ONVLFDFFUSXKQG-WDEREUQCSA-N -1 1 370.331 0.646 10 0 FCAEMM CN1C[C@H](C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)NC1=O ZINC000854966758 1209653214 /nfs/dbraw/zinc/65/32/14/1209653214.db2.gz ONVLFDFFUSXKQG-GHMZBOCLSA-N -1 1 370.331 0.646 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000855601201 1209675463 /nfs/dbraw/zinc/67/54/63/1209675463.db2.gz ULVZKYIBMUIUKC-OAHLLOKOSA-N -1 1 359.382 0.900 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]2CCCC[C@H]12 ZINC000855642988 1209676998 /nfs/dbraw/zinc/67/69/98/1209676998.db2.gz NEKUHIAZVGPHSV-MCIONIFRSA-N -1 1 363.414 0.507 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000859277770 1209815328 /nfs/dbraw/zinc/81/53/28/1209815328.db2.gz AYIAVHVNFUUCDL-NEPJUHHUSA-N -1 1 364.406 0.713 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2nnn[n-]2)C1 ZINC000859447676 1209822256 /nfs/dbraw/zinc/82/22/56/1209822256.db2.gz WUVZAEARVSLXPO-BLLLJJGKSA-N -1 1 360.374 0.954 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)Nc2nn[n-]n2)C1 ZINC000859447676 1209822258 /nfs/dbraw/zinc/82/22/58/1209822258.db2.gz WUVZAEARVSLXPO-BLLLJJGKSA-N -1 1 360.374 0.954 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC000860349647 1209845886 /nfs/dbraw/zinc/84/58/86/1209845886.db2.gz PSUDLRDSMUFFJC-MRVPVSSYSA-N -1 1 372.307 0.991 10 0 FCAEMM NC(=O)c1ccc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC000861509642 1209868747 /nfs/dbraw/zinc/86/87/47/1209868747.db2.gz GQVOWONEXFRPEP-UHFFFAOYSA-N -1 1 372.347 0.640 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000927943900 1211593820 /nfs/dbraw/zinc/59/38/20/1211593820.db2.gz VLHGMDXKJLGSSY-CVEARBPZSA-N -1 1 361.442 0.994 10 0 FCAEMM C[C@H](CN1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000929278046 1211627224 /nfs/dbraw/zinc/62/72/24/1211627224.db2.gz ISSKZXKIGIJMJG-CYBMUJFWSA-N -1 1 359.426 0.634 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000930524077 1211712511 /nfs/dbraw/zinc/71/25/11/1211712511.db2.gz XXDWDBGKTYKCHA-JTQLQIEISA-N -1 1 364.352 0.657 10 0 FCAEMM O=C(CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(F)c(F)c1 ZINC000798269946 1221283118 /nfs/dbraw/zinc/28/31/18/1221283118.db2.gz KEYUPPYPGJEGMC-UHFFFAOYSA-N -1 1 365.340 0.951 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC3(CCC3)O2)CC1 ZINC001119576957 1221935908 /nfs/dbraw/zinc/93/59/08/1221935908.db2.gz IXYQVVFTXCEHJY-HNNXBMFYSA-N -1 1 368.478 0.432 10 0 FCAEMM FCC[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2C[C@H]2CCOC2)C1 ZINC001123097616 1222317506 /nfs/dbraw/zinc/31/75/06/1222317506.db2.gz LLTOAIQLGBTBGT-CHWSQXEVSA-N -1 1 364.429 0.995 10 0 FCAEMM FCC[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2C[C@H]2CCOC2)C1 ZINC001123097616 1222317510 /nfs/dbraw/zinc/31/75/10/1222317510.db2.gz LLTOAIQLGBTBGT-CHWSQXEVSA-N -1 1 364.429 0.995 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(OC[C@H]2CCOC2)CC1 ZINC001137756371 1222428502 /nfs/dbraw/zinc/42/85/02/1222428502.db2.gz UIGLPEJLJQYCBB-ZDUSSCGKSA-N -1 1 363.414 0.561 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001138057287 1222476424 /nfs/dbraw/zinc/47/64/24/1222476424.db2.gz KNPNQTOGOKMKOZ-GLXFQSAKSA-N -1 1 373.335 0.573 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](CN2CCOC2=O)C1 ZINC000833000730 1222547241 /nfs/dbraw/zinc/54/72/41/1222547241.db2.gz XCPWPPGPAKXLEE-ZDUSSCGKSA-N -1 1 373.413 0.895 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001139431855 1222550287 /nfs/dbraw/zinc/55/02/87/1222550287.db2.gz QTGUEXVUERYLOU-GHMZBOCLSA-N -1 1 350.371 0.699 10 0 FCAEMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000765574142 1245302495 /nfs/dbraw/zinc/30/24/95/1245302495.db2.gz FRRORDQFYZZYQD-NSHDSACASA-N -1 1 366.422 0.721 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H]3CCC4(CCCC4)O3)ccnc1-2 ZINC000847610525 1245346584 /nfs/dbraw/zinc/34/65/84/1245346584.db2.gz BYFOQAWYDNTLOM-GFCCVEGCSA-N -1 1 357.414 0.888 10 0 FCAEMM C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329122424 1265697863 /nfs/dbraw/zinc/69/78/63/1265697863.db2.gz YSLTVKAOYMCZHI-ZVJHWVFESA-N -1 1 365.474 0.837 10 0 FCAEMM COCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001520648196 1265957656 /nfs/dbraw/zinc/95/76/56/1265957656.db2.gz YWABZWNBBOMZJZ-UPJWGTAASA-N -1 1 351.403 0.558 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001521893699 1266203220 /nfs/dbraw/zinc/20/32/20/1266203220.db2.gz FZCMREVIYLDGAH-MRVWCRGKSA-N -1 1 362.430 0.526 10 0 FCAEMM C[C@H](C(=O)[N-]OCCN1CCCC1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001168627460 1259390272 /nfs/dbraw/zinc/39/02/72/1259390272.db2.gz PYABHUNBYJYCLN-STQMWFEESA-N -1 1 373.450 0.521 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](c1ncccn1)C1CC1 ZINC001235542269 1259575474 /nfs/dbraw/zinc/57/54/74/1259575474.db2.gz BTLZDLSMOJDOQD-CQSZACIVSA-N -1 1 356.386 0.995 10 0 FCAEMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254487969 1259886383 /nfs/dbraw/zinc/88/63/83/1259886383.db2.gz FYRBSNBJOHTDLI-SNVBAGLBSA-N -1 1 365.434 0.700 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001254496876 1259887508 /nfs/dbraw/zinc/88/75/08/1259887508.db2.gz NNEMLYGZPNTJAW-NSHDSACASA-N -1 1 361.402 0.065 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)NCCc2c(F)cc([O-])cc2F)CCO1 ZINC001255798567 1259925306 /nfs/dbraw/zinc/92/53/06/1259925306.db2.gz PUXOBXBFBSZMEC-LLVKDONJSA-N -1 1 372.372 0.552 10 0 FCAEMM CN1CCN(c2ncccc2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1 ZINC001262176305 1260273333 /nfs/dbraw/zinc/27/33/33/1260273333.db2.gz IWUOTIUNLNUINT-UHFFFAOYSA-N -1 1 359.430 0.592 10 0 FCAEMM CO[C@@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)C1CCCCC1 ZINC001264736615 1260407422 /nfs/dbraw/zinc/40/74/22/1260407422.db2.gz WWLJZGKVGNAHEB-IVMMDQJWSA-N -1 1 365.478 0.783 10 0 FCAEMM Cn1[n-]c(CN2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)nc1=O ZINC001278782543 1260731214 /nfs/dbraw/zinc/73/12/14/1260731214.db2.gz YKTPJSAJGUCVHE-JCGVRSQUSA-N -1 1 365.478 0.234 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@H]3CCCN(C(N)=O)C3)CCCC2)[n-]c1=O ZINC001472111669 1261438835 /nfs/dbraw/zinc/43/88/35/1261438835.db2.gz XLYWGJZDLSYYAP-NSHDSACASA-N -1 1 363.418 0.867 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001282436928 1261452351 /nfs/dbraw/zinc/45/23/51/1261452351.db2.gz AKGOZNNZUFBALI-VAGZCVSGSA-N -1 1 373.457 0.774 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2ccnc3c2nnn3C)[n-]c1=O ZINC001472258803 1261455877 /nfs/dbraw/zinc/45/58/77/1261455877.db2.gz QHELNAHSRPQWPU-SNVBAGLBSA-N -1 1 355.358 0.845 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC001472278027 1261456730 /nfs/dbraw/zinc/45/67/30/1261456730.db2.gz WXWHGRUPNNWZIS-JTQLQIEISA-N -1 1 357.370 0.916 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CNC(=O)c2ccccc2Cl)n1 ZINC001472498012 1261471684 /nfs/dbraw/zinc/47/16/84/1261471684.db2.gz GZMMWKAERGVMCI-UHFFFAOYSA-N -1 1 357.779 0.230 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CNC(=O)c2ccccc2Cl)[n-]1 ZINC001472498012 1261471689 /nfs/dbraw/zinc/47/16/89/1261471689.db2.gz GZMMWKAERGVMCI-UHFFFAOYSA-N -1 1 357.779 0.230 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cn(CCOC)c(C)cc2=O)n[n-]1 ZINC001472545242 1261474201 /nfs/dbraw/zinc/47/42/01/1261474201.db2.gz IOCYWQSFEWIRKZ-UHFFFAOYSA-N -1 1 363.374 0.028 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cn(CCOC)c(C)cc2=O)n1 ZINC001472545242 1261474202 /nfs/dbraw/zinc/47/42/02/1261474202.db2.gz IOCYWQSFEWIRKZ-UHFFFAOYSA-N -1 1 363.374 0.028 10 0 FCAEMM C[C@]12CN(Cc3nc4c(c(=O)[n-]3)COCC4)C[C@@]1(C)CS(=O)(=O)C2 ZINC001473775332 1261496375 /nfs/dbraw/zinc/49/63/75/1261496375.db2.gz KTGBKJRNWADPHY-IYBDPMFKSA-N -1 1 353.444 0.512 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](CO)NCc1cc(=O)n2[n-]ccc2n1 ZINC001283783117 1261704993 /nfs/dbraw/zinc/70/49/93/1261704993.db2.gz VWELAXLYBRBMEY-CFVMTHIKSA-N -1 1 359.430 0.026 10 0 FCAEMM CCN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001284621979 1261772739 /nfs/dbraw/zinc/77/27/39/1261772739.db2.gz ORSLKASZWOCIBG-SGTLLEGYSA-N -1 1 360.414 0.674 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ncccc1[O-] ZINC001285100230 1261809898 /nfs/dbraw/zinc/80/98/98/1261809898.db2.gz RZBBQIQXAZYJQB-YNEHKIRRSA-N -1 1 357.414 0.949 10 0 FCAEMM CN(CCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001285371534 1261835753 /nfs/dbraw/zinc/83/57/53/1261835753.db2.gz LDWMHGRESFJMBF-SGTLLEGYSA-N -1 1 360.414 0.627 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C(=O)c1ncccc1[O-] ZINC001285780712 1261877186 /nfs/dbraw/zinc/87/71/86/1261877186.db2.gz PSDIFMGNVCPWFB-WFGGJUAMSA-N -1 1 363.414 0.415 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C(=O)c1ncccc1[O-] ZINC001285780711 1261877894 /nfs/dbraw/zinc/87/78/94/1261877894.db2.gz PSDIFMGNVCPWFB-LMOYCYGVSA-N -1 1 363.414 0.415 10 0 FCAEMM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC)C1CCC1 ZINC001289517139 1262233441 /nfs/dbraw/zinc/23/34/41/1262233441.db2.gz VFILGGSGRQNKJE-XPKDYRNWSA-N -1 1 363.414 0.558 10 0 FCAEMM CCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](OCC)C1 ZINC001290247877 1262409784 /nfs/dbraw/zinc/40/97/84/1262409784.db2.gz DQAUVQPEQRPRLS-UMVBOHGHSA-N -1 1 365.430 0.806 10 0 FCAEMM CC[C@@H](OC)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001290593384 1262472672 /nfs/dbraw/zinc/47/26/72/1262472672.db2.gz IRARLVDGHJZDSV-KXUCPTDWSA-N -1 1 368.390 0.041 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CN(C)C(=O)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001290643678 1262483960 /nfs/dbraw/zinc/48/39/60/1262483960.db2.gz ISBQGWPWODAAIQ-YPMHNXCESA-N -1 1 360.414 0.375 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1nn[n-]n1 ZINC001296063636 1262789675 /nfs/dbraw/zinc/78/96/75/1262789675.db2.gz KHOVKYFQBOIKSS-BDJLRTHQSA-N -1 1 368.438 0.788 10 0 FCAEMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc([O-])cn1 ZINC001296114156 1262792654 /nfs/dbraw/zinc/79/26/54/1262792654.db2.gz VRTGLTUEAKIXLI-KRWDZBQOSA-N -1 1 355.394 0.987 10 0 FCAEMM Cn1c(CCNC(=O)CCn2cc[n-]c(=O)c2=O)nnc1-c1ccccc1 ZINC001296209748 1262797664 /nfs/dbraw/zinc/79/76/64/1262797664.db2.gz KIWPJGMEWMALDX-UHFFFAOYSA-N -1 1 368.397 0.081 10 0 FCAEMM O=C(c1cc(N2CCOCC2)ncn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001297779742 1262893404 /nfs/dbraw/zinc/89/34/04/1262893404.db2.gz ANOLUGVKJBJTFD-UHFFFAOYSA-N -1 1 360.374 0.422 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001299604626 1262970381 /nfs/dbraw/zinc/97/03/81/1262970381.db2.gz JTLUJICVABHUOI-XLWVJDPXSA-N -1 1 363.414 0.560 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)n[n-]1 ZINC001300602049 1262992700 /nfs/dbraw/zinc/99/27/00/1262992700.db2.gz LCMVPBFBSQTTPM-SKDRFNHKSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)[n-]1 ZINC001300602049 1262992706 /nfs/dbraw/zinc/99/27/06/1262992706.db2.gz LCMVPBFBSQTTPM-SKDRFNHKSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1 ZINC001300602049 1262992708 /nfs/dbraw/zinc/99/27/08/1262992708.db2.gz LCMVPBFBSQTTPM-SKDRFNHKSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](O)c1cccnc1 ZINC001302365121 1263045325 /nfs/dbraw/zinc/04/53/25/1263045325.db2.gz XPEWPFHLHRFFBG-CABCVRRESA-N -1 1 358.350 0.751 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001478328892 1263130030 /nfs/dbraw/zinc/13/00/30/1263130030.db2.gz PRMYJJCKNOZXEV-APPDUMDISA-N -1 1 364.402 0.392 10 0 FCAEMM CCOC(=O)C1=CC[C@@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001478972266 1263156997 /nfs/dbraw/zinc/15/69/97/1263156997.db2.gz ABEHWXIAIIKNNO-LLVKDONJSA-N -1 1 362.386 0.706 10 0 FCAEMM O=C(NCC[C@H](O)C1CCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156491 1263173277 /nfs/dbraw/zinc/17/32/77/1263173277.db2.gz KEPLKAAFVSRPML-AWEZNQCLSA-N -1 1 350.419 0.995 10 0 FCAEMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001486405603 1263536761 /nfs/dbraw/zinc/53/67/61/1263536761.db2.gz NJVRIBXXVARUJF-ZJQBRPOHSA-N -1 1 351.451 0.946 10 0 FCAEMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C1(C(F)F)CCC1 ZINC001513030150 1264871179 /nfs/dbraw/zinc/87/11/79/1264871179.db2.gz OMFRGKHSZGEJCS-MWLCHTKSSA-N -1 1 355.341 0.524 10 0 FCAEMM CC[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001522261792 1266448386 /nfs/dbraw/zinc/44/83/86/1266448386.db2.gz SUBQRSSCZUCQSY-BYNQJWBRSA-N -1 1 372.429 0.716 10 0 FCAEMM CO[C@@H]1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@H]2CCOC2)C1 ZINC001526305472 1266799823 /nfs/dbraw/zinc/79/98/23/1266799823.db2.gz UYANWZRZSRGRAV-NXEZZACHSA-N -1 1 353.814 0.978 10 0 FCAEMM Cn1c(-c2nnn[n-]2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001526547650 1266815771 /nfs/dbraw/zinc/81/57/71/1266815771.db2.gz DOIDIKUFJMTYCY-UHFFFAOYSA-N -1 1 359.438 0.614 10 0 FCAEMM Cn1c(-c2nn[n-]n2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001526547650 1266815788 /nfs/dbraw/zinc/81/57/88/1266815788.db2.gz DOIDIKUFJMTYCY-UHFFFAOYSA-N -1 1 359.438 0.614 10 0 FCAEMM CO[C@H]1CN(C(=O)C2CCC(N3CCOCC3)CC2)[C@@](C)(C(=O)[O-])C1 ZINC001334204730 1266881350 /nfs/dbraw/zinc/88/13/50/1266881350.db2.gz FDKXFFGLGCPHSH-PPPKJHQXSA-N -1 1 354.447 0.968 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccnn2C)co1 ZINC001529294068 1267049910 /nfs/dbraw/zinc/04/99/10/1267049910.db2.gz MRLALJCOSKUDRC-ZDUSSCGKSA-N -1 1 352.416 0.769 10 0 FCAEMM CC[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001531395291 1267134877 /nfs/dbraw/zinc/13/48/77/1267134877.db2.gz NXVSFIVXSKOMSA-FHSNZYRGSA-N -1 1 362.430 0.128 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)[n-]1 ZINC001534727679 1267269124 /nfs/dbraw/zinc/26/91/24/1267269124.db2.gz AXWSXXJRMFDRSQ-ZDUSSCGKSA-N -1 1 359.342 0.869 10 0 FCAEMM COc1ccc(S(N)(=O)=O)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001539554804 1267431425 /nfs/dbraw/zinc/43/14/25/1267431425.db2.gz HMEQEBVITGVCLQ-UHFFFAOYSA-N -1 1 350.352 0.870 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)c1ccnn1C ZINC001540304928 1267444166 /nfs/dbraw/zinc/44/41/66/1267444166.db2.gz WLELGTMNOMCVTB-UHFFFAOYSA-N -1 1 360.418 0.656 10 0 FCAEMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001540844248 1267467307 /nfs/dbraw/zinc/46/73/07/1267467307.db2.gz MNOLEYUXRYZMLK-SNVBAGLBSA-N -1 1 360.288 0.915 10 0 FCAEMM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544603713 1267585858 /nfs/dbraw/zinc/58/58/58/1267585858.db2.gz CPYNQQNUYUAEAN-RFAUZJTJSA-N -1 1 360.399 0.126 10 0 FCAEMM Cc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1C(N)=O ZINC001338387807 1267926473 /nfs/dbraw/zinc/92/64/73/1267926473.db2.gz RRTQWYYFPNISJM-CQSZACIVSA-N -1 1 369.443 0.311 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001339949598 1268383283 /nfs/dbraw/zinc/38/32/83/1268383283.db2.gz DRQIXRBJMNXXEB-UWVGGRQHSA-N -1 1 374.488 0.660 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)c2)o1 ZINC001556694753 1268882838 /nfs/dbraw/zinc/88/28/38/1268882838.db2.gz WGDPMGRQGAOASY-BETUJISGSA-N -1 1 354.318 0.809 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)COCc2ccnc(OC)c2)n[n-]1 ZINC001557456121 1268948359 /nfs/dbraw/zinc/94/83/59/1268948359.db2.gz UCPCVNSLBMSFMH-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)COCc2ccnc(OC)c2)[n-]1 ZINC001557456121 1268948367 /nfs/dbraw/zinc/94/83/67/1268948367.db2.gz UCPCVNSLBMSFMH-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)COCc2ccnc(OC)c2)n1 ZINC001557456121 1268948372 /nfs/dbraw/zinc/94/83/72/1268948372.db2.gz UCPCVNSLBMSFMH-SNVBAGLBSA-N -1 1 363.374 0.779 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](OCC)C2CCOCC2)n[n-]1 ZINC001557457035 1268948908 /nfs/dbraw/zinc/94/89/08/1268948908.db2.gz XGXUBUPEIRDIIN-ZYHUDNBSSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](OCC)C2CCOCC2)[n-]1 ZINC001557457035 1268948913 /nfs/dbraw/zinc/94/89/13/1268948913.db2.gz XGXUBUPEIRDIIN-ZYHUDNBSSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](OCC)C2CCOCC2)n1 ZINC001557457035 1268948917 /nfs/dbraw/zinc/94/89/17/1268948917.db2.gz XGXUBUPEIRDIIN-ZYHUDNBSSA-N -1 1 354.407 0.990 10 0 FCAEMM CCCCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001341362355 1268955683 /nfs/dbraw/zinc/95/56/83/1268955683.db2.gz MHRFQOCQLMPQAK-UKRRQHHQSA-N -1 1 365.430 0.686 10 0 FCAEMM C[C@H](CC(F)(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001341364347 1268956763 /nfs/dbraw/zinc/95/67/63/1268956763.db2.gz ZYZXBVHKNRRXLP-FXPVBKGRSA-N -1 1 361.320 0.677 10 0 FCAEMM CS(=O)(=O)c1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)co1 ZINC001558048621 1269012721 /nfs/dbraw/zinc/01/27/21/1269012721.db2.gz ITLBLTVXSMATCR-UHFFFAOYSA-N -1 1 353.356 0.181 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)o1 ZINC001558703035 1269132127 /nfs/dbraw/zinc/13/21/27/1269132127.db2.gz FRAQVVUDLFKGEH-SNVBAGLBSA-N -1 1 354.388 0.988 10 0 FCAEMM CON(C)C(=O)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001564949790 1269445029 /nfs/dbraw/zinc/44/50/29/1269445029.db2.gz RWJVWJXZOQRWJA-SECBINFHSA-N -1 1 354.329 0.106 10 0 FCAEMM CC(C)(C)N1CC[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1=O ZINC001564978858 1269446940 /nfs/dbraw/zinc/44/69/40/1269446940.db2.gz DBICZXFDTXYTCM-LBPRGKRZSA-N -1 1 363.418 0.454 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001564983596 1269447440 /nfs/dbraw/zinc/44/74/40/1269447440.db2.gz ULAXCIJGORILJP-SNVBAGLBSA-N -1 1 363.374 0.037 10 0 FCAEMM COC[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCOC1 ZINC001565246956 1269459639 /nfs/dbraw/zinc/45/96/39/1269459639.db2.gz ANTMHPIUNOOBPB-FZMZJTMJSA-N -1 1 366.418 0.496 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001565614141 1269482862 /nfs/dbraw/zinc/48/28/62/1269482862.db2.gz BGQSYPCWVVFWIL-LBPRGKRZSA-N -1 1 365.415 0.136 10 0 FCAEMM Nc1c(Br)cccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614437 1269482928 /nfs/dbraw/zinc/48/29/28/1269482928.db2.gz NLRDWTRTNNXKTO-SECBINFHSA-N -1 1 353.180 0.758 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC001566396240 1269638119 /nfs/dbraw/zinc/63/81/19/1269638119.db2.gz JNMRZAKEPRGOHQ-UONOGXRCSA-N -1 1 362.430 0.313 10 0 FCAEMM O=C(Nn1cc(Br)cn1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001566690139 1269656153 /nfs/dbraw/zinc/65/61/53/1269656153.db2.gz CEODVFRYDIREOC-UHFFFAOYSA-N -1 1 365.147 0.609 10 0 FCAEMM CN(C)[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cncn1C ZINC001566778158 1269664223 /nfs/dbraw/zinc/66/42/23/1269664223.db2.gz WBGSCGZSDBOKNS-CYBMUJFWSA-N -1 1 353.404 0.015 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)c2ccc([O-])cc2)(C(N)=O)C1 ZINC001567584388 1269700789 /nfs/dbraw/zinc/70/07/89/1269700789.db2.gz CQNMXSGBCOJTAO-UHFFFAOYSA-N -1 1 363.370 0.166 10 0 FCAEMM Cn1[n-]c(CN[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)nc1=O ZINC001567662407 1269702116 /nfs/dbraw/zinc/70/21/16/1269702116.db2.gz GIGYCSPSPHAGRF-WCVJEAGWSA-N -1 1 371.441 0.623 10 0 FCAEMM CN(C)S(=O)(=O)NCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568742686 1269747244 /nfs/dbraw/zinc/74/72/44/1269747244.db2.gz WRKXONZMILQJBD-UHFFFAOYSA-N -1 1 353.400 0.377 10 0 FCAEMM CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2cnncc2[O-])CC1 ZINC001570027467 1269831698 /nfs/dbraw/zinc/83/16/98/1269831698.db2.gz KAJQWMSQVHAUHB-NSHDSACASA-N -1 1 356.448 0.704 10 0 FCAEMM CSc1nc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc(=O)[n-]1 ZINC001570806837 1269916267 /nfs/dbraw/zinc/91/62/67/1269916267.db2.gz ZSTRHZKDGZHCGP-HTQZYQBOSA-N -1 1 364.349 0.977 10 0 FCAEMM O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344282283 1270128849 /nfs/dbraw/zinc/12/88/49/1270128849.db2.gz FNSZJIFOQCDYON-YNEHKIRRSA-N -1 1 360.414 0.328 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CNC(=O)OC ZINC001573264042 1270718164 /nfs/dbraw/zinc/71/81/64/1270718164.db2.gz DIZFHJVMKNMLHU-WDEREUQCSA-N -1 1 350.375 0.253 10 0 FCAEMM CNC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001573820577 1270894900 /nfs/dbraw/zinc/89/49/00/1270894900.db2.gz JDNSTFONMBTRRB-CHWSQXEVSA-N -1 1 362.430 0.528 10 0 FCAEMM CC[C@@H](C)C(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001574438772 1271276950 /nfs/dbraw/zinc/27/69/50/1271276950.db2.gz PNONKTUBDPQFEB-SYQHCUMBSA-N -1 1 374.441 0.811 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC001584176546 1282140890 /nfs/dbraw/zinc/14/08/90/1282140890.db2.gz QDMWEMNNGCIRPR-SGUJLRQBSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C=CCOC2CCOCC2)[n-]1 ZINC001584176546 1282140893 /nfs/dbraw/zinc/14/08/93/1282140893.db2.gz QDMWEMNNGCIRPR-SGUJLRQBSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)/C=C/COC2CCOCC2)n1 ZINC001584176546 1282140897 /nfs/dbraw/zinc/14/08/97/1282140897.db2.gz QDMWEMNNGCIRPR-SGUJLRQBSA-N -1 1 352.391 0.910 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)n[n-]1 ZINC001584176628 1282141198 /nfs/dbraw/zinc/14/11/98/1282141198.db2.gz RRLNVJDNXQWENB-LLVKDONJSA-N -1 1 369.385 0.982 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)[n-]1 ZINC001584176628 1282141201 /nfs/dbraw/zinc/14/12/01/1282141201.db2.gz RRLNVJDNXQWENB-LLVKDONJSA-N -1 1 369.385 0.982 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)n1 ZINC001584176628 1282141203 /nfs/dbraw/zinc/14/12/03/1282141203.db2.gz RRLNVJDNXQWENB-LLVKDONJSA-N -1 1 369.385 0.982 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]1 ZINC001584268009 1282147441 /nfs/dbraw/zinc/14/74/41/1282147441.db2.gz AOMWMFICRBEYDK-JTQLQIEISA-N -1 1 373.369 0.729 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)n[n-]1 ZINC001632567689 1282187538 /nfs/dbraw/zinc/18/75/38/1282187538.db2.gz RPTWJJASIRVCDR-VIFPVBQESA-N -1 1 357.370 0.896 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)[n-]1 ZINC001632567689 1282187548 /nfs/dbraw/zinc/18/75/48/1282187548.db2.gz RPTWJJASIRVCDR-VIFPVBQESA-N -1 1 357.370 0.896 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc3c(c2)NC(=O)C3)n1 ZINC001632567689 1282187554 /nfs/dbraw/zinc/18/75/54/1282187554.db2.gz RPTWJJASIRVCDR-VIFPVBQESA-N -1 1 357.370 0.896 10 0 FCAEMM CN1C(=O)CCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001632595969 1282189723 /nfs/dbraw/zinc/18/97/23/1282189723.db2.gz RGAKYMKMXNCQRV-CYBMUJFWSA-N -1 1 367.427 0.782 10 0 FCAEMM C[C@H](CNC(=O)c1ncc(Br)cc1[O-])N1CCN(C)CC1 ZINC001585149476 1282206946 /nfs/dbraw/zinc/20/69/46/1282206946.db2.gz FVKVPLQNTCKQEF-SNVBAGLBSA-N -1 1 357.252 0.915 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001633407400 1282243893 /nfs/dbraw/zinc/24/38/93/1282243893.db2.gz WJQKATFDRJBFTP-SNVBAGLBSA-N -1 1 350.404 0.345 10 0 FCAEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@H](CO)CN3CCOCC3)c2)o1 ZINC001633683590 1282266039 /nfs/dbraw/zinc/26/60/39/1282266039.db2.gz FSPOCHPORCLEGP-AWEZNQCLSA-N -1 1 374.393 0.888 10 0 FCAEMM CCOC(=O)[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccccc1 ZINC001633895634 1282281686 /nfs/dbraw/zinc/28/16/86/1282281686.db2.gz LVJMWNJXDKVEHZ-CYBMUJFWSA-N -1 1 359.386 0.357 10 0 FCAEMM O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cnncc1[O-] ZINC001586645948 1282307688 /nfs/dbraw/zinc/30/76/88/1282307688.db2.gz UPYMOYSMUOFNOT-SNVBAGLBSA-N -1 1 363.399 0.868 10 0 FCAEMM CNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001586816258 1282314601 /nfs/dbraw/zinc/31/46/01/1282314601.db2.gz MYSUQEAWVMQDEL-UHFFFAOYSA-N -1 1 364.383 0.064 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)n[n-]1 ZINC001634277022 1282314683 /nfs/dbraw/zinc/31/46/83/1282314683.db2.gz OMTACOSWXUHZGR-QWRGUYRKSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)[n-]1 ZINC001634277022 1282314693 /nfs/dbraw/zinc/31/46/93/1282314693.db2.gz OMTACOSWXUHZGR-QWRGUYRKSA-N -1 1 351.407 0.711 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2CCCNC2=O)n1 ZINC001634277022 1282314701 /nfs/dbraw/zinc/31/47/01/1282314701.db2.gz OMTACOSWXUHZGR-QWRGUYRKSA-N -1 1 351.407 0.711 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)Cc1cncs1 ZINC001634493150 1282334552 /nfs/dbraw/zinc/33/45/52/1282334552.db2.gz UIQIMSMDKXVVOQ-LLVKDONJSA-N -1 1 361.427 0.771 10 0 FCAEMM O=C(c1c[nH]c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1)c1ccccc1 ZINC001635007843 1282372085 /nfs/dbraw/zinc/37/20/85/1282372085.db2.gz LMJXTWXZFZTOAC-UHFFFAOYSA-N -1 1 366.381 0.883 10 0 FCAEMM COC(=O)c1nc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cs1 ZINC001588033419 1282399969 /nfs/dbraw/zinc/39/99/69/1282399969.db2.gz WDAHUKTUSSOSDO-UHFFFAOYSA-N -1 1 350.356 0.428 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCc3cnn(C)n3)CC2)n1 ZINC001635468297 1282408155 /nfs/dbraw/zinc/40/81/55/1282408155.db2.gz LIWBTTJTOUQGIL-UHFFFAOYSA-N -1 1 361.406 0.449 10 0 FCAEMM O=C(c1[nH]ncc1I)N1CC[C@H](c2nn[n-]n2)C1 ZINC001588218414 1282409182 /nfs/dbraw/zinc/40/91/82/1282409182.db2.gz ZOYUBFHESROSDI-YFKPBYRVSA-N -1 1 359.131 0.157 10 0 FCAEMM O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCC(c2nn[n-]n2)CC1 ZINC001636174753 1282467572 /nfs/dbraw/zinc/46/75/72/1282467572.db2.gz RTTZMGPBXNHOJY-UHFFFAOYSA-N -1 1 369.385 0.271 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(-n2cccn2)ccn1 ZINC001636322355 1282487181 /nfs/dbraw/zinc/48/71/81/1282487181.db2.gz PTBBIJCEEIXYHJ-UHFFFAOYSA-N -1 1 352.354 0.766 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cnc(Br)cn1 ZINC001636454264 1282504404 /nfs/dbraw/zinc/50/44/04/1282504404.db2.gz OWNSIFBTXQDNHO-UHFFFAOYSA-N -1 1 366.175 0.386 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C(=O)OC)ccn2)c1 ZINC001637177601 1282573951 /nfs/dbraw/zinc/57/39/51/1282573951.db2.gz FGYXNBCKIZKMLU-UHFFFAOYSA-N -1 1 365.367 0.734 10 0 FCAEMM COC(=O)C1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC(CO)C1 ZINC001637456846 1282595008 /nfs/dbraw/zinc/59/50/08/1282595008.db2.gz CQAKMNOSFPOTGX-UHFFFAOYSA-N -1 1 362.386 0.025 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001637541564 1282603078 /nfs/dbraw/zinc/60/30/78/1282603078.db2.gz MGTABHVLLVLUCA-SWLSCSKDSA-N -1 1 364.446 0.489 10 0 FCAEMM CC(=O)OC1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001637890660 1282632547 /nfs/dbraw/zinc/63/25/47/1282632547.db2.gz NEUYEOKZAMSLBW-UHFFFAOYSA-N -1 1 350.375 0.492 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909543 1282639554 /nfs/dbraw/zinc/63/95/54/1282639554.db2.gz HDBUCFQJVINIBU-AXFHLTTASA-N -1 1 366.374 0.366 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909543 1282639570 /nfs/dbraw/zinc/63/95/70/1282639570.db2.gz HDBUCFQJVINIBU-AXFHLTTASA-N -1 1 366.374 0.366 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001637909543 1282639583 /nfs/dbraw/zinc/63/95/83/1282639583.db2.gz HDBUCFQJVINIBU-AXFHLTTASA-N -1 1 366.374 0.366 10 0 FCAEMM CN1C(=O)N=NC1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001637908542 1282640494 /nfs/dbraw/zinc/64/04/94/1282640494.db2.gz ZXYKHLGWEBHSGV-MRVPVSSYSA-N -1 1 364.328 0.121 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC001638337358 1282686831 /nfs/dbraw/zinc/68/68/31/1282686831.db2.gz JKNNBNYUTUXRSO-RCWTZXSCSA-N -1 1 355.416 0.065 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)C1CCCCC1 ZINC001638933605 1282734955 /nfs/dbraw/zinc/73/49/55/1282734955.db2.gz VCKKVFVZERURSC-OAQYLSRUSA-N -1 1 354.494 0.899 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc([O-])cc1F)CCS2(=O)=O ZINC001639971592 1282828417 /nfs/dbraw/zinc/82/84/17/1282828417.db2.gz RRKZMADBMIQGCJ-IAZHFHGHSA-N -1 1 370.402 0.472 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)n[n-]1 ZINC001640225253 1282847585 /nfs/dbraw/zinc/84/75/85/1282847585.db2.gz IWQSCEXGVYIQNV-VIFPVBQESA-N -1 1 363.349 0.614 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)[n-]1 ZINC001640225253 1282847595 /nfs/dbraw/zinc/84/75/95/1282847595.db2.gz IWQSCEXGVYIQNV-VIFPVBQESA-N -1 1 363.349 0.614 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC001640225253 1282847603 /nfs/dbraw/zinc/84/76/03/1282847603.db2.gz IWQSCEXGVYIQNV-VIFPVBQESA-N -1 1 363.349 0.614 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCOc1cncc(Cl)c1 ZINC001640527702 1282870977 /nfs/dbraw/zinc/87/09/77/1282870977.db2.gz PYTNHMRXECPYMQ-UHFFFAOYSA-N -1 1 350.762 0.761 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](CO)c1cc(F)ccc1F ZINC001640616697 1282881399 /nfs/dbraw/zinc/88/13/99/1282881399.db2.gz YGJQBQNQPYVLEM-LBPRGKRZSA-N -1 1 351.309 0.645 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)CCO1 ZINC001641614685 1282965587 /nfs/dbraw/zinc/96/55/87/1282965587.db2.gz PDUMQVDSWICBMY-JTQLQIEISA-N -1 1 362.361 0.850 10 0 FCAEMM COCCOCCc1ncc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)[nH]1 ZINC001641602104 1282965813 /nfs/dbraw/zinc/96/58/13/1282965813.db2.gz PFIXHJRVBQYRFG-OAHLLOKOSA-N -1 1 371.401 0.648 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@](C)(CO)Cc1ccc(F)cc1 ZINC001641761739 1282972362 /nfs/dbraw/zinc/97/23/62/1282972362.db2.gz QRRCQEIXBAGLEP-INIZCTEOSA-N -1 1 351.334 0.759 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@](C)(CO)Cc1ccc(F)cc1 ZINC001641761740 1282972652 /nfs/dbraw/zinc/97/26/52/1282972652.db2.gz QRRCQEIXBAGLEP-MRXNPFEDSA-N -1 1 351.334 0.759 10 0 FCAEMM CS(=O)(=O)C[C@@H](O)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001641894910 1282979110 /nfs/dbraw/zinc/97/91/10/1282979110.db2.gz LHMKXHNKPHOGDB-VIFPVBQESA-N -1 1 358.803 0.729 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001680340577 1283418158 /nfs/dbraw/zinc/41/81/58/1283418158.db2.gz ISCOCNDFBFSCGR-FRRDWIJNSA-N -1 1 364.446 0.867 10 0 FCAEMM COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001682871161 1283794309 /nfs/dbraw/zinc/79/43/09/1283794309.db2.gz ABQSQUWOLJOJMF-UHIISALHSA-N -1 1 362.430 0.919 10 0 FCAEMM CCOC(=O)[C@@H](C)C1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001683593611 1284053069 /nfs/dbraw/zinc/05/30/69/1284053069.db2.gz ABNRAFFGTKJZFA-JTQLQIEISA-N -1 1 364.402 0.596 10 0 FCAEMM C/C=C(\C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001684479917 1284186712 /nfs/dbraw/zinc/18/67/12/1284186712.db2.gz YICTZCPUWIOZBC-RWDFKDKASA-N -1 1 362.430 0.294 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cn1ccnc1 ZINC001702842211 1285936364 /nfs/dbraw/zinc/93/63/64/1285936364.db2.gz GODFNGXXSWOCRO-ZIAGYGMSSA-N -1 1 357.414 0.898 10 0 FCAEMM CC1(C)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001702928046 1286004309 /nfs/dbraw/zinc/00/43/09/1286004309.db2.gz FUSKZMOWBXGHOS-RFGFWPKPSA-N -1 1 374.441 0.221 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001593752397 1286213836 /nfs/dbraw/zinc/21/38/36/1286213836.db2.gz KTNHOMJIRBYKOU-UHFFFAOYSA-N -1 1 366.447 0.748 10 0 FCAEMM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1)N(C)C ZINC001593794899 1286218385 /nfs/dbraw/zinc/21/83/85/1286218385.db2.gz MPVSNPBFQMLWPI-LBPRGKRZSA-N -1 1 367.435 0.290 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCc4nncn4CC3)nc2n1 ZINC001595393066 1286246394 /nfs/dbraw/zinc/24/63/94/1286246394.db2.gz YSEHIEWFJUWGAE-JTQLQIEISA-N -1 1 356.390 0.553 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)c1nn[n-]n1 ZINC001595889597 1286267411 /nfs/dbraw/zinc/26/74/11/1286267411.db2.gz SVVUVBAEFKXRBK-NWDGAFQWSA-N -1 1 363.399 0.725 10 0 FCAEMM COC[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1nn[n-]n1 ZINC001595889215 1286267640 /nfs/dbraw/zinc/26/76/40/1286267640.db2.gz LDJYMSPJHKOXPS-SECBINFHSA-N -1 1 356.180 0.714 10 0 FCAEMM COC[C@@H](NC(=O)c1cncc(I)c1)c1nn[n-]n1 ZINC001595889434 1286268369 /nfs/dbraw/zinc/26/83/69/1286268369.db2.gz OYOQETNLQCNHLJ-MRVPVSSYSA-N -1 1 374.142 0.317 10 0 FCAEMM O=C(c1cccnc1N1CCOCC1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595947647 1286274310 /nfs/dbraw/zinc/27/43/10/1286274310.db2.gz CCJFGARPNYPCGK-ZDUSSCGKSA-N -1 1 357.418 0.526 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001595958881 1286274367 /nfs/dbraw/zinc/27/43/67/1286274367.db2.gz PMBMJSHCWBJYKY-JTQLQIEISA-N -1 1 373.397 0.185 10 0 FCAEMM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001597103520 1286327297 /nfs/dbraw/zinc/32/72/97/1286327297.db2.gz SHGOUJNXQKOLJA-MRVPVSSYSA-N -1 1 356.433 0.237 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC001597486371 1286347402 /nfs/dbraw/zinc/34/74/02/1286347402.db2.gz KWBOIMPAMUABNC-GFCCVEGCSA-N -1 1 354.432 0.649 10 0 FCAEMM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001707044238 1286435495 /nfs/dbraw/zinc/43/54/95/1286435495.db2.gz HRZLMKNZKAVFBE-PBFPGSCMSA-N -1 1 366.466 0.578 10 0 FCAEMM CC(C)CCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001707270458 1287131059 /nfs/dbraw/zinc/13/10/59/1287131059.db2.gz QPXGOUZSKCHFHZ-RDBSUJKOSA-N -1 1 353.467 0.639 10 0 FCAEMM CC1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001719364999 1288111096 /nfs/dbraw/zinc/11/10/96/1288111096.db2.gz CYRNHGAWSKDWRN-CHWSQXEVSA-N -1 1 362.430 0.270 10 0 FCAEMM O=C(NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001723538374 1288424394 /nfs/dbraw/zinc/42/43/94/1288424394.db2.gz KAOMHDNXTMLIKZ-RBUCKAEESA-N -1 1 369.425 0.184 10 0 FCAEMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001732957686 1288597842 /nfs/dbraw/zinc/59/78/42/1288597842.db2.gz BMCFYCNDKRPEBT-UPJWGTAASA-N -1 1 364.450 0.286 10 0 FCAEMM CCN(CCNC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC(C)(C)C ZINC001611400481 1289647322 /nfs/dbraw/zinc/64/73/22/1289647322.db2.gz DGLXOJAUERAXBQ-UHFFFAOYSA-N -1 1 366.418 0.890 10 0 FCAEMM C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001738594493 1289708909 /nfs/dbraw/zinc/70/89/09/1289708909.db2.gz JGAGBBVFGXNSGI-HBNTYKKESA-N -1 1 360.418 0.334 10 0 FCAEMM Nc1cc(Br)cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1N ZINC001616143010 1289769223 /nfs/dbraw/zinc/76/92/23/1289769223.db2.gz YREGZWXHFQACME-SECBINFHSA-N -1 1 368.195 0.340 10 0 FCAEMM Cc1nnc(COc2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2)o1 ZINC001616367458 1289777840 /nfs/dbraw/zinc/77/78/40/1289777840.db2.gz WJGCHEZDEXDNDK-UHFFFAOYSA-N -1 1 371.353 0.836 10 0 FCAEMM COC[C@H](C)n1ccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)n1 ZINC001617223240 1289825468 /nfs/dbraw/zinc/82/54/68/1289825468.db2.gz WLCJHXZTGNAOTC-JTQLQIEISA-N -1 1 358.358 0.922 10 0 FCAEMM CC(C)OC(=O)N1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001617511679 1289845902 /nfs/dbraw/zinc/84/59/02/1289845902.db2.gz WZYMETGQELCDMP-UHFFFAOYSA-N -1 1 364.402 0.643 10 0 FCAEMM C[C@](O)(CNC(=O)CCc1nn[n-]n1)c1ccccc1Br ZINC001617936915 1289873148 /nfs/dbraw/zinc/87/31/48/1289873148.db2.gz ZNMVXNQKBLCIRK-ZDUSSCGKSA-N -1 1 354.208 0.919 10 0 FCAEMM CN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(=O)c1ncccc1[O-] ZINC001618032781 1289881137 /nfs/dbraw/zinc/88/11/37/1289881137.db2.gz RSAVTVQRLYWVHL-UHFFFAOYSA-N -1 1 357.366 0.947 10 0 FCAEMM CSc1ncc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001621422561 1290034447 /nfs/dbraw/zinc/03/44/47/1290034447.db2.gz WNFMHSDLMUJZNE-ANRSDYALSA-N -1 1 365.415 0.354 10 0 FCAEMM CSc1ncc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001621422564 1290034627 /nfs/dbraw/zinc/03/46/27/1290034627.db2.gz WNFMHSDLMUJZNE-VXJOIVPMSA-N -1 1 365.415 0.354 10 0 FCAEMM CC(C)COCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739601706 1290224105 /nfs/dbraw/zinc/22/41/05/1290224105.db2.gz KMJLHUKJONZPDY-OCCSQVGLSA-N -1 1 351.403 0.151 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC001623677304 1290229946 /nfs/dbraw/zinc/22/99/46/1290229946.db2.gz MNHDVMHAYMCYQQ-QWHCGFSZSA-N -1 1 361.398 0.504 10 0 FCAEMM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1c([O-])cnc2c(F)cccc21 ZINC001624260501 1290261359 /nfs/dbraw/zinc/26/13/59/1290261359.db2.gz WEDIFZBZWXKBSJ-HNNXBMFYSA-N -1 1 354.359 0.359 10 0 FCAEMM COC(=O)C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC001624562522 1290279656 /nfs/dbraw/zinc/27/96/56/1290279656.db2.gz YJHGLDCBAHEXQQ-LLVKDONJSA-N -1 1 363.374 0.570 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3n(n2)CCC[C@H]3O)c1 ZINC001625734954 1290362268 /nfs/dbraw/zinc/36/22/68/1290362268.db2.gz KIBMSFMJLBUEAK-CQSZACIVSA-N -1 1 366.399 0.576 10 0 FCAEMM CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2C1 ZINC001626046509 1290370690 /nfs/dbraw/zinc/37/06/90/1290370690.db2.gz BWMOHTXMIUGNGA-NSHDSACASA-N -1 1 372.429 0.939 10 0 FCAEMM C[C@H](O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCO1 ZINC001626327516 1290388261 /nfs/dbraw/zinc/38/82/61/1290388261.db2.gz FKFCKYFFUOFTHZ-JQWIXIFHSA-N -1 1 360.432 0.578 10 0 FCAEMM NC(=O)c1cn(CCCCNC(=O)Cc2ccc([O-])c(Cl)c2)nn1 ZINC001626332067 1290389446 /nfs/dbraw/zinc/38/94/46/1290389446.db2.gz COESZEXTYDQYPO-UHFFFAOYSA-N -1 1 351.794 0.875 10 0 FCAEMM O=C(CN1CCCC1=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001739853708 1290411702 /nfs/dbraw/zinc/41/17/02/1290411702.db2.gz UFTRXDYNMFACRE-QWHCGFSZSA-N -1 1 360.414 0.424 10 0 FCAEMM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001627165366 1290442763 /nfs/dbraw/zinc/44/27/63/1290442763.db2.gz BLOFRVIHWCCLEO-WDEREUQCSA-N -1 1 370.410 0.029 10 0 FCAEMM C[C@@H]1[C@H](CCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)[C@H](C)Nc2ccnn21 ZINC001627166224 1290443658 /nfs/dbraw/zinc/44/36/58/1290443658.db2.gz ZORLRLJGLHDKHJ-LOWDOPEQSA-N -1 1 360.422 0.768 10 0 FCAEMM O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cnncc1[O-] ZINC001628586678 1290542819 /nfs/dbraw/zinc/54/28/19/1290542819.db2.gz MQSJELANBNMGCD-UHFFFAOYSA-N -1 1 361.383 0.905 10 0 FCAEMM Cc1cc(N2CC[C@H](NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)C2=O)n(C)n1 ZINC001629155627 1290581189 /nfs/dbraw/zinc/58/11/89/1290581189.db2.gz BHFXFZDSVZSOQN-VIFPVBQESA-N -1 1 362.415 0.357 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn3c2NCCC3)c1 ZINC001629176436 1290583988 /nfs/dbraw/zinc/58/39/88/1290583988.db2.gz LIXGLEJQVUEIGH-UHFFFAOYSA-N -1 1 351.388 0.565 10 0 FCAEMM CSCC[C@H](NC(=O)CCCNC(=O)c1cccnc1)c1nn[n-]n1 ZINC001629932174 1290635357 /nfs/dbraw/zinc/63/53/57/1290635357.db2.gz ZLXYXVKZIFJMRG-LBPRGKRZSA-N -1 1 363.447 0.715 10 0 FCAEMM O=C(c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1)N1CC(=O)Nc2cnccc21 ZINC001630072047 1290646799 /nfs/dbraw/zinc/64/67/99/1290646799.db2.gz SLHBQJHIADVWEC-UHFFFAOYSA-N -1 1 352.310 0.260 10 0 FCAEMM CCOCCOC1CCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC001630328702 1290659558 /nfs/dbraw/zinc/65/95/58/1290659558.db2.gz CBFAHHAUOAEFGJ-UHFFFAOYSA-N -1 1 360.432 0.845 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC(C(=O)NCCCO)CC1 ZINC001630331774 1290661095 /nfs/dbraw/zinc/66/10/95/1290661095.db2.gz TZNDQOLVUYJZPS-UHFFFAOYSA-N -1 1 354.432 0.130 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC001630688393 1290687334 /nfs/dbraw/zinc/68/73/34/1290687334.db2.gz YWGSHWLELKOKLJ-JTQLQIEISA-N -1 1 373.394 0.782 10 0 FCAEMM C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428135 1290729896 /nfs/dbraw/zinc/72/98/96/1290729896.db2.gz HQNZRMHWTJZQFC-KRTXAFLBSA-N -1 1 355.372 0.268 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC001631433077 1290730220 /nfs/dbraw/zinc/73/02/20/1290730220.db2.gz JETDIDLPBSNYGL-INIZCTEOSA-N -1 1 363.414 0.201 10 0 FCAEMM Cn1c(C=O)c(Br)cc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001643193001 1290858575 /nfs/dbraw/zinc/85/85/75/1290858575.db2.gz XKLFAIRDBYRDOZ-JTQLQIEISA-N -1 1 369.179 0.327 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCc2cn(C)c(=O)[nH]c2=O)c(=O)[n-]1 ZINC001643195032 1290859491 /nfs/dbraw/zinc/85/94/91/1290859491.db2.gz UAJNCACKMFLSTK-UHFFFAOYSA-N -1 1 365.415 0.261 10 0 FCAEMM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001643192994 1290859998 /nfs/dbraw/zinc/85/99/98/1290859998.db2.gz XDIPMRIHKDWTRG-STQMWFEESA-N -1 1 360.349 0.292 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)C1(n2cnnn2)CCCCC1 ZINC001643244801 1290866152 /nfs/dbraw/zinc/86/61/52/1290866152.db2.gz VIJYHYBOIMMHAG-UHFFFAOYSA-N -1 1 359.390 0.217 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1COc2ccc(O)cc2O1 ZINC001643244555 1290866856 /nfs/dbraw/zinc/86/68/56/1290866856.db2.gz SSIZZBUSYZTZBB-CQSZACIVSA-N -1 1 359.338 0.417 10 0 FCAEMM Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643391325 1290882659 /nfs/dbraw/zinc/88/26/59/1290882659.db2.gz WXEBLBHOACMDPM-ZCFIWIBFSA-N -1 1 373.158 0.466 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CC(O)(c3ncnn3C)C2)c(=O)[n-]1 ZINC001643708479 1290910598 /nfs/dbraw/zinc/91/05/98/1290910598.db2.gz DRRLLYMUEWKXCX-UHFFFAOYSA-N -1 1 364.431 0.004 10 0 FCAEMM CC(C)(C)n1cc(C(=O)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001644157255 1290944825 /nfs/dbraw/zinc/94/48/25/1290944825.db2.gz SMXZCKKRZPFCBW-UHFFFAOYSA-N -1 1 359.386 0.706 10 0 FCAEMM Cn1c2cccc(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)c2oc1=O ZINC001644157022 1290944850 /nfs/dbraw/zinc/94/48/50/1290944850.db2.gz RHTPHCNSHGBJAV-UHFFFAOYSA-N -1 1 356.338 0.630 10 0 FCAEMM CCOC(=O)[C@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCC1(F)F ZINC001648086131 1291100818 /nfs/dbraw/zinc/10/08/18/1291100818.db2.gz TZCIUJHHFVGSSA-SSDOTTSWSA-N -1 1 361.301 0.557 10 0 FCAEMM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001648468867 1291123135 /nfs/dbraw/zinc/12/31/35/1291123135.db2.gz OSPJSMMYXZJMTR-ZIAGYGMSSA-N -1 1 356.386 0.543 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1)C2=O ZINC001648468950 1291123401 /nfs/dbraw/zinc/12/34/01/1291123401.db2.gz SJEPPWPZVXKXOZ-GXFFZTMASA-N -1 1 370.369 0.093 10 0 FCAEMM Nc1cc(Br)cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1N ZINC001650859707 1291181437 /nfs/dbraw/zinc/18/14/37/1291181437.db2.gz YNUPMQIPXOBLLL-LURJTMIESA-N -1 1 352.196 0.756 10 0 FCAEMM O=C(Nc1nc(SCCO)n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001650865068 1291182541 /nfs/dbraw/zinc/18/25/41/1291182541.db2.gz OUBZYKLKFVYFBJ-LBPRGKRZSA-N -1 1 361.427 0.876 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(CC(F)F)C2)o1 ZINC001650897266 1291184595 /nfs/dbraw/zinc/18/45/95/1291184595.db2.gz CYVYJKQJXBHQFU-SECBINFHSA-N -1 1 351.375 0.505 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2nn(CC)cc2Br)n[n-]1 ZINC001650943316 1291187428 /nfs/dbraw/zinc/18/74/28/1291187428.db2.gz FNZVNTBHVYSQDT-UHFFFAOYSA-N -1 1 371.195 0.890 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2nn(CC)cc2Br)n1 ZINC001650943316 1291187431 /nfs/dbraw/zinc/18/74/31/1291187431.db2.gz FNZVNTBHVYSQDT-UHFFFAOYSA-N -1 1 371.195 0.890 10 0 FCAEMM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218489 1291208040 /nfs/dbraw/zinc/20/80/40/1291208040.db2.gz LXNYXHVJXRNGBS-JTQLQIEISA-N -1 1 354.411 0.625 10 0 FCAEMM COC(=O)[C@H](Cc1cncs1)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001651390391 1291220119 /nfs/dbraw/zinc/22/01/19/1291220119.db2.gz BMWAZWILFKISCT-QMMMGPOBSA-N -1 1 354.413 0.750 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688961 1291232829 /nfs/dbraw/zinc/23/28/29/1291232829.db2.gz SGTMJMWOXOIKFC-LLVKDONJSA-N -1 1 374.401 0.878 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688961 1291232833 /nfs/dbraw/zinc/23/28/33/1291232833.db2.gz SGTMJMWOXOIKFC-LLVKDONJSA-N -1 1 374.401 0.878 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC001651688961 1291232837 /nfs/dbraw/zinc/23/28/37/1291232837.db2.gz SGTMJMWOXOIKFC-LLVKDONJSA-N -1 1 374.401 0.878 10 0 FCAEMM O=C(Cc1ccc(-n2cnnc2)cc1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651874717 1291247854 /nfs/dbraw/zinc/24/78/54/1291247854.db2.gz PYXQRPOLGUHEMJ-AWEZNQCLSA-N -1 1 352.402 0.804 10 0 FCAEMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652617513 1291286482 /nfs/dbraw/zinc/28/64/82/1291286482.db2.gz LMFHGOPJOZVHNJ-CABZTGNLSA-N -1 1 354.407 0.968 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)cc1 ZINC001652612767 1291287236 /nfs/dbraw/zinc/28/72/36/1291287236.db2.gz CLJWUZWMYOBRIL-UHFFFAOYSA-N -1 1 360.370 0.844 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(=O)c(O)co2)o1 ZINC001653223061 1291328835 /nfs/dbraw/zinc/32/88/35/1291328835.db2.gz MCRJMHKBTVCBGI-UHFFFAOYSA-N -1 1 370.383 0.945 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)C[C@H]2CCO)c2ccc([O-])cc2o1 ZINC001654856914 1291441187 /nfs/dbraw/zinc/44/11/87/1291441187.db2.gz RFGWMNHOYFFQMA-GFCCVEGCSA-N -1 1 353.396 0.480 10 0 FCAEMM CO[C@]12CCC[C@@]1(NC(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CCO2 ZINC001675456312 1292177186 /nfs/dbraw/zinc/17/71/86/1292177186.db2.gz DIERLPVVWHZPAU-SJORKVTESA-N -1 1 364.402 0.740 10 0 FCAEMM COC[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@@H](C)O1 ZINC001675456653 1292177559 /nfs/dbraw/zinc/17/75/59/1292177559.db2.gz MWLPGVQEZPNOBB-GHMZBOCLSA-N -1 1 352.391 0.200 10 0 FCAEMM NC(=O)C[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC001675456517 1292177790 /nfs/dbraw/zinc/17/77/90/1292177790.db2.gz JMBRKQWSICQSEB-CQSZACIVSA-N -1 1 371.397 0.671 10 0 FCAEMM CC(C)CN1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001684868713 1292346532 /nfs/dbraw/zinc/34/65/32/1292346532.db2.gz KDPWPGRLGPGRDM-UHFFFAOYSA-N -1 1 363.418 0.265 10 0 FCAEMM O=C(NCCCn1ccc(=O)[nH]c1=O)NCCc1c(F)cc([O-])cc1F ZINC001685383423 1292522146 /nfs/dbraw/zinc/52/21/46/1292522146.db2.gz VWQDZBCEOYVISU-UHFFFAOYSA-N -1 1 368.340 0.865 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(Br)n1C ZINC000404157129 836069551 /nfs/dbraw/zinc/06/95/51/836069551.db2.gz QCQVZEFCOADUBM-LLVKDONJSA-N -1 1 368.253 0.311 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CSCN2C(C)=O)c1 ZINC000461447106 836075089 /nfs/dbraw/zinc/07/50/89/836075089.db2.gz KUSOGWQLCBVZED-LLVKDONJSA-N -1 1 359.429 0.160 10 0 FCAEMM COc1ccc(NC(=O)[C@H]2CSCN2C(C)=O)cc1[N-]S(C)(=O)=O ZINC000751314733 836480095 /nfs/dbraw/zinc/48/00/95/836480095.db2.gz GDJUVFFPZVOOPA-GFCCVEGCSA-N -1 1 373.456 0.927 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC001116663778 846729748 /nfs/dbraw/zinc/72/97/48/846729748.db2.gz RTTXPNCLMUMPAV-OCCSQVGLSA-N -1 1 372.447 0.062 10 0 FCAEMM Cn1[n-]c(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)nc1=O ZINC001119962107 848046837 /nfs/dbraw/zinc/04/68/37/848046837.db2.gz IUALATDRNCUXJB-LDYMZIIASA-N -1 1 354.354 0.050 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nc(C(C)(C)C)ns3)cc2S1(=O)=O ZINC001125853582 848702246 /nfs/dbraw/zinc/70/22/46/848702246.db2.gz XQPORMIPPYBOHD-UHFFFAOYSA-N -1 1 370.460 0.919 10 0 FCAEMM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC001129906038 848913324 /nfs/dbraw/zinc/91/33/24/848913324.db2.gz VITOARSRIBSIKN-SNVBAGLBSA-N -1 1 357.432 0.565 10 0 FCAEMM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2nn[n-]n2)c1C ZINC001135897006 849203538 /nfs/dbraw/zinc/20/35/38/849203538.db2.gz NZRRAXICXLPUNA-UHFFFAOYSA-N -1 1 352.420 0.638 10 0 FCAEMM CCS(=O)(=O)NC1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001136227775 849211521 /nfs/dbraw/zinc/21/15/21/849211521.db2.gz SXTKDCZQOLHEJK-UHFFFAOYSA-N -1 1 360.461 0.323 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](O)C(C)(C)O)c1 ZINC001137775016 849283834 /nfs/dbraw/zinc/28/38/34/849283834.db2.gz PPVJUKFQBPZUSB-CYBMUJFWSA-N -1 1 360.432 0.493 10 0 FCAEMM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)[N-]OCCO ZINC001138490180 849312300 /nfs/dbraw/zinc/31/23/00/849312300.db2.gz GUZLNZJLMHFITK-XFWSIPNHSA-N -1 1 350.293 0.012 10 0 FCAEMM COCCNc1nc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001138659227 849315424 /nfs/dbraw/zinc/31/54/24/849315424.db2.gz XEEPMKJIYYBXJQ-SNVBAGLBSA-N -1 1 351.436 0.663 10 0 FCAEMM O=C(NCc1nn[n-]n1)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001143974407 849505834 /nfs/dbraw/zinc/50/58/34/849505834.db2.gz MWYJZXRRZMOHMZ-UHFFFAOYSA-N -1 1 355.227 0.275 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CN2CCCCCCC2=O)n[n-]1 ZINC001146853770 849567920 /nfs/dbraw/zinc/56/79/20/849567920.db2.gz AXUXNLUEXRPNSV-NSHDSACASA-N -1 1 351.407 0.951 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CN2CCCCCCC2=O)[n-]1 ZINC001146853770 849567922 /nfs/dbraw/zinc/56/79/22/849567922.db2.gz AXUXNLUEXRPNSV-NSHDSACASA-N -1 1 351.407 0.951 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN2CCCCCCC2=O)n1 ZINC001146853770 849567927 /nfs/dbraw/zinc/56/79/27/849567927.db2.gz AXUXNLUEXRPNSV-NSHDSACASA-N -1 1 351.407 0.951 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)n[n-]1 ZINC001146854983 849568326 /nfs/dbraw/zinc/56/83/26/849568326.db2.gz JDMBMNOMEREEIR-SNVBAGLBSA-N -1 1 351.407 0.998 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)[n-]1 ZINC001146854983 849568332 /nfs/dbraw/zinc/56/83/32/849568332.db2.gz JDMBMNOMEREEIR-SNVBAGLBSA-N -1 1 351.407 0.998 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)n1 ZINC001146854983 849568341 /nfs/dbraw/zinc/56/83/41/849568341.db2.gz JDMBMNOMEREEIR-SNVBAGLBSA-N -1 1 351.407 0.998 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cn2cc(Br)cn2)n[n-]1 ZINC001146857120 849568890 /nfs/dbraw/zinc/56/88/90/849568890.db2.gz VNDQQKOHBOLNHK-ZETCQYMHSA-N -1 1 371.195 0.818 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cn2cc(Br)cn2)[n-]1 ZINC001146857120 849568895 /nfs/dbraw/zinc/56/88/95/849568895.db2.gz VNDQQKOHBOLNHK-ZETCQYMHSA-N -1 1 371.195 0.818 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cn2cc(Br)cn2)n1 ZINC001146857120 849568898 /nfs/dbraw/zinc/56/88/98/849568898.db2.gz VNDQQKOHBOLNHK-ZETCQYMHSA-N -1 1 371.195 0.818 10 0 FCAEMM CN1C(=O)CN=C1NC(=O)c1ccc(I)cc1[O-] ZINC001149339650 849636116 /nfs/dbraw/zinc/63/61/16/849636116.db2.gz JUBYVSCCUGKENK-UHFFFAOYSA-N -1 1 359.123 0.555 10 0 FCAEMM CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1nn[n-]n1 ZINC001167444500 850544435 /nfs/dbraw/zinc/54/44/35/850544435.db2.gz HNJJQCGKXKZXPH-GJMOJQLCSA-N -1 1 366.369 0.567 10 0 FCAEMM COC[C@@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1nn[n-]n1 ZINC001177828187 850871757 /nfs/dbraw/zinc/87/17/57/850871757.db2.gz LUAJGNWCGKACSZ-LLVKDONJSA-N -1 1 364.431 0.430 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C3(O)CCOCC3)CC2)o1 ZINC001178266353 850891646 /nfs/dbraw/zinc/89/16/46/850891646.db2.gz WXKFXKWEGFYYEE-UHFFFAOYSA-N -1 1 358.416 0.239 10 0 FCAEMM CC(C)(CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)S(C)(=O)=O ZINC001251961264 857770813 /nfs/dbraw/zinc/77/08/13/857770813.db2.gz WSCHZSJUPRAZQE-UHFFFAOYSA-N -1 1 372.447 0.267 10 0 FCAEMM Cc1cc(C)n2ncc(C(=O)[N-]S(=O)(=O)CC3(N(C)C)CCC3)c2n1 ZINC001261481521 858563766 /nfs/dbraw/zinc/56/37/66/858563766.db2.gz CMYJQZSTHUDJAQ-UHFFFAOYSA-N -1 1 365.459 0.890 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CNC(=O)C2)o1 ZINC001288634591 864798213 /nfs/dbraw/zinc/79/82/13/864798213.db2.gz XIRHRHJUJGKGIJ-JTQLQIEISA-N -1 1 357.432 0.612 10 0 FCAEMM CCCCC(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001290578687 865450395 /nfs/dbraw/zinc/45/03/95/865450395.db2.gz RLOQSWGCANKDED-ZJUUUORDSA-N -1 1 352.391 0.806 10 0 FCAEMM COc1cccc([O-])c1C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1 ZINC001295119589 865879350 /nfs/dbraw/zinc/87/93/50/865879350.db2.gz URWYMMRGLCZFCF-GFCCVEGCSA-N -1 1 350.375 0.704 10 0 FCAEMM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@@H](Cc3nn[n-]n3)C1)CS2 ZINC001349214209 866265824 /nfs/dbraw/zinc/26/58/24/866265824.db2.gz RLLFZSBWEOZIMS-PGUXBMHVSA-N -1 1 350.448 0.435 10 0 FCAEMM COc1ccc(C(=O)C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1Cl ZINC001302137067 866311176 /nfs/dbraw/zinc/31/11/76/866311176.db2.gz IULYQAVVGZKNPK-SNVBAGLBSA-N -1 1 351.750 0.645 10 0 FCAEMM CN(CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(=O)OC(C)(C)C ZINC001302843357 866360812 /nfs/dbraw/zinc/36/08/12/866360812.db2.gz PJXROQYJJPVLEQ-UHFFFAOYSA-N -1 1 352.391 0.738 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001349902338 866476400 /nfs/dbraw/zinc/47/64/00/866476400.db2.gz KFLQFEXYAHYFQF-RMPHRYRLSA-N -1 1 361.364 0.959 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)c3n[nH]cc3C(F)(F)F)CC2)CCOC1 ZINC001350779224 866685679 /nfs/dbraw/zinc/68/56/79/866685679.db2.gz ZEGWCGSEECJYPC-CYBMUJFWSA-N -1 1 362.308 0.430 10 0 FCAEMM C[C@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)c1cnn(C)c1 ZINC001351156724 866795185 /nfs/dbraw/zinc/79/51/85/866795185.db2.gz VMFBCBOFYFPHJU-VIFPVBQESA-N -1 1 352.341 0.940 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nnc(C(F)F)s3)cc2S1(=O)=O ZINC001351325419 866834270 /nfs/dbraw/zinc/83/42/70/866834270.db2.gz IPXBURJCRRGAOS-UHFFFAOYSA-N -1 1 364.359 0.559 10 0 FCAEMM Cc1csc(CCC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001354031415 867536564 /nfs/dbraw/zinc/53/65/64/867536564.db2.gz NLDIVTXJRKCWCC-INIZCTEOSA-N -1 1 353.444 0.772 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC001321453378 868478314 /nfs/dbraw/zinc/47/83/14/868478314.db2.gz DYWOGTWUJGCEFJ-UHFFFAOYSA-N -1 1 367.349 0.881 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CCOCCCO)c(Br)n1C ZINC001322568167 868863633 /nfs/dbraw/zinc/86/36/33/868863633.db2.gz VOVAWQRAXWWPSI-UHFFFAOYSA-N -1 1 356.242 0.168 10 0 FCAEMM O=C(c1cnn(CCC(F)(F)F)c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001324618149 869636743 /nfs/dbraw/zinc/63/67/43/869636743.db2.gz LFMQMBAIMDEMOM-UHFFFAOYSA-N -1 1 359.312 0.472 10 0 FCAEMM Cc1ccc(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001326216424 870213598 /nfs/dbraw/zinc/21/35/98/870213598.db2.gz MTDFJKIWPIVWKJ-MFKMUULPSA-N -1 1 369.443 0.624 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nnn[n-]2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001344588406 870945575 /nfs/dbraw/zinc/94/55/75/870945575.db2.gz WIBRMESWWXTADH-UTUOFQBUSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@@H]1CCCO1)n1c(-c2nn[n-]n2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001344588406 870945582 /nfs/dbraw/zinc/94/55/82/870945582.db2.gz WIBRMESWWXTADH-UTUOFQBUSA-N -1 1 362.463 0.827 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)CCOCC1 ZINC001329224293 871900945 /nfs/dbraw/zinc/90/09/45/871900945.db2.gz BLOCXXROARFZLM-GOEBONIOSA-N -1 1 371.455 0.986 10 0 FCAEMM Cn1ncc(Br)c1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001347660954 872440161 /nfs/dbraw/zinc/44/01/61/872440161.db2.gz MMAQSLDKGUJJQS-MRVPVSSYSA-N -1 1 354.212 0.791 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)CCOC1 ZINC001348478359 872708550 /nfs/dbraw/zinc/70/85/50/872708550.db2.gz HYNVNUDNDBHQMG-KRWDZBQOSA-N -1 1 352.362 0.621 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@@H](CN2CCOCC2)C1 ZINC001348741531 872781939 /nfs/dbraw/zinc/78/19/39/872781939.db2.gz MWCHVHCIGBNXGJ-LBPRGKRZSA-N -1 1 368.459 0.386 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCC2(CS(C)(=O)=O)CC2)co1 ZINC001331132807 872975857 /nfs/dbraw/zinc/97/58/57/872975857.db2.gz RUFVKAJOTXUJAY-UHFFFAOYSA-N -1 1 364.445 0.132 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@H]2CCSC2)CC1 ZINC001332122544 873383616 /nfs/dbraw/zinc/38/36/16/873383616.db2.gz ORPFZMCIPYMAHL-AWEZNQCLSA-N -1 1 358.508 0.473 10 0 FCAEMM C[C@H](CN1CCOCC1)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC001332186437 873402960 /nfs/dbraw/zinc/40/29/60/873402960.db2.gz DKYHJGMENPOSBA-NXEZZACHSA-N -1 1 358.382 0.820 10 0 FCAEMM CN1CCN(c2cc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)ccn2)CC1 ZINC001332613731 873581588 /nfs/dbraw/zinc/58/15/88/873581588.db2.gz NMAGVUNAUZZQLL-INIZCTEOSA-N -1 1 350.444 0.524 10 0 FCAEMM CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293772750 214199967 /nfs/dbraw/zinc/19/99/67/214199967.db2.gz AMGBOUHGYSIVGJ-GFCCVEGCSA-N -1 1 373.413 0.585 10 0 FCAEMM CNC(=O)COc1cccc(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000294414558 214244710 /nfs/dbraw/zinc/24/47/10/214244710.db2.gz OCMHSNPVZOFICO-CYBMUJFWSA-N -1 1 373.413 0.172 10 0 FCAEMM C[S@](=O)C1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CCC1 ZINC000930760510 674058373 /nfs/dbraw/zinc/05/83/73/674058373.db2.gz WUZXKLRTGSJXSM-VWLOTQADSA-N -1 1 374.409 0.747 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000285130253 213290026 /nfs/dbraw/zinc/29/00/26/213290026.db2.gz OHQVHAXDJYQQEW-NWDGAFQWSA-N -1 1 371.415 0.140 10 0 FCAEMM CN1CC[C@@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@@H]2C1 ZINC000285091581 213281439 /nfs/dbraw/zinc/28/14/39/213281439.db2.gz SQIVCTGEGZGDRE-CABCVRRESA-N -1 1 353.444 0.603 10 0 FCAEMM CN1CC[C@@H]2OCCN(C(=O)c3cc(F)ccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000284865161 213237589 /nfs/dbraw/zinc/23/75/89/213237589.db2.gz DUDAZHCGHKOGQK-GJZGRUSLSA-N -1 1 371.434 0.742 10 0 FCAEMM CCc1nnc(C2CCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)CC2)[nH]1 ZINC000191502863 209285886 /nfs/dbraw/zinc/28/58/86/209285886.db2.gz CAFJTPBDNLTLCV-UHFFFAOYSA-N -1 1 367.431 0.888 10 0 FCAEMM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000277014615 212318973 /nfs/dbraw/zinc/31/89/73/212318973.db2.gz ISQBSZWKGROAEM-MRVPVSSYSA-N -1 1 357.215 0.979 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)co1 ZINC000373930960 217075583 /nfs/dbraw/zinc/07/55/83/217075583.db2.gz VBAWZLKGLKBCBN-BFQNTYOBSA-N -1 1 372.443 0.986 10 0 FCAEMM C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000419477029 246175610 /nfs/dbraw/zinc/17/56/10/246175610.db2.gz HGENGVSMYBRPAE-RKDXNWHRSA-N -1 1 350.345 0.420 10 0 FCAEMM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[C@H](C)CN1CCO ZINC000419477029 246175615 /nfs/dbraw/zinc/17/56/15/246175615.db2.gz HGENGVSMYBRPAE-RKDXNWHRSA-N -1 1 350.345 0.420 10 0 FCAEMM O=C(CS(=O)(=O)c1nc[n-]n1)N1CCC(OCc2ccccc2)CC1 ZINC000424204110 247178943 /nfs/dbraw/zinc/17/89/43/247178943.db2.gz KFRXMPKZVXOODH-UHFFFAOYSA-N -1 1 364.427 0.786 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)C(=O)[O-] ZINC000424488076 247236605 /nfs/dbraw/zinc/23/66/05/247236605.db2.gz LPAVZBURKJBWCL-UKRRQHHQSA-N -1 1 353.463 0.983 10 0 FCAEMM Cc1nc(-c2ccc(N3CC[C@H](NS(C)(=O)=O)C3)nc2)[n-]c(=O)c1C ZINC000425225542 247308115 /nfs/dbraw/zinc/30/81/15/247308115.db2.gz LKCKWSMRNRHLLV-ZDUSSCGKSA-N -1 1 363.443 0.989 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1[N-]S(C)(=O)=O ZINC000425830199 247398629 /nfs/dbraw/zinc/39/86/29/247398629.db2.gz AXCGXSHIFQAQNU-PEGIJTEDSA-N -1 1 367.427 0.920 10 0 FCAEMM Cc1cc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)ccc1S(N)(=O)=O ZINC000447091380 248405491 /nfs/dbraw/zinc/40/54/91/248405491.db2.gz RBUMNJTUAIXVIS-UHFFFAOYSA-N -1 1 372.406 0.809 10 0 FCAEMM CC[C@H](CNS(C)(=O)=O)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000452546949 249321340 /nfs/dbraw/zinc/32/13/40/249321340.db2.gz RGOKLTQNEMAWFP-SNVBAGLBSA-N -1 1 352.416 0.701 10 0 FCAEMM CC[C@H](CNS(C)(=O)=O)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000452546949 249321344 /nfs/dbraw/zinc/32/13/44/249321344.db2.gz RGOKLTQNEMAWFP-SNVBAGLBSA-N -1 1 352.416 0.701 10 0 FCAEMM COC(=O)c1ccc(CS(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)cc1 ZINC000270274545 211178592 /nfs/dbraw/zinc/17/85/92/211178592.db2.gz SINQQZRSPADWCA-OAHLLOKOSA-N -1 1 373.452 0.941 10 0 FCAEMM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(F)(F)F ZINC000470783517 250063855 /nfs/dbraw/zinc/06/38/55/250063855.db2.gz AZEQFDPXUOKRHC-JTQLQIEISA-N -1 1 371.337 0.360 10 0 FCAEMM CCS(=O)(=O)NCc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470977893 250083556 /nfs/dbraw/zinc/08/35/56/250083556.db2.gz QCNNJRVADVDSEU-UHFFFAOYSA-N -1 1 350.404 0.058 10 0 FCAEMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470973972 250083633 /nfs/dbraw/zinc/08/36/33/250083633.db2.gz BHYUJIYGXHQNFX-QMMMGPOBSA-N -1 1 370.822 0.325 10 0 FCAEMM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470978541 250084384 /nfs/dbraw/zinc/08/43/84/250084384.db2.gz UDBDVKPBPNJFIQ-AWEZNQCLSA-N -1 1 353.386 0.534 10 0 FCAEMM COc1cccc(C[C@H](C(=O)NC2(c3nn[n-]n3)CC2)n2nnnc2C)c1 ZINC000470983871 250084570 /nfs/dbraw/zinc/08/45/70/250084570.db2.gz NIBZOVOKEXTTFY-CYBMUJFWSA-N -1 1 369.389 0.093 10 0 FCAEMM O=C(CNC(=O)Cc1cccc2ccccc21)NC1(c2nn[n-]n2)CC1 ZINC000473380734 250225752 /nfs/dbraw/zinc/22/57/52/250225752.db2.gz WBCDQJGWUULGDI-UHFFFAOYSA-N -1 1 350.382 0.817 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1 ZINC000119758579 208366701 /nfs/dbraw/zinc/36/67/01/208366701.db2.gz XJMHHONILFDNHB-UHFFFAOYSA-N -1 1 360.399 0.971 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)co1 ZINC000179407123 209078262 /nfs/dbraw/zinc/07/82/62/209078262.db2.gz PBQFTKSBMFLSMC-NSHDSACASA-N -1 1 367.431 0.647 10 0 FCAEMM CN(C)CCN(CCOCCO)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632008551 450584241 /nfs/dbraw/zinc/58/42/41/450584241.db2.gz VJMPYFAGVKQNBS-UHFFFAOYSA-N -1 1 366.867 0.607 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2(N3CCOCC3)CCC2)c1 ZINC000363693965 488874822 /nfs/dbraw/zinc/87/48/22/488874822.db2.gz REBTZDOXBCNTLC-UHFFFAOYSA-N -1 1 355.416 0.233 10 0 FCAEMM CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000327340741 488918937 /nfs/dbraw/zinc/91/89/37/488918937.db2.gz DYVWBSHMWUDZOI-UHFFFAOYSA-N -1 1 369.443 0.734 10 0 FCAEMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279618327 488957213 /nfs/dbraw/zinc/95/72/13/488957213.db2.gz XDKUFXMBOVXCNN-CQSZACIVSA-N -1 1 368.187 0.969 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000025376232 487664728 /nfs/dbraw/zinc/66/47/28/487664728.db2.gz KRBMGKVFUDSOEM-IUCAKERBSA-N -1 1 369.365 0.483 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(c3cccnn3)CC2)cc1 ZINC000263677582 488618125 /nfs/dbraw/zinc/61/81/25/488618125.db2.gz HPSXFGUEKABHOE-UHFFFAOYSA-N -1 1 355.398 0.564 10 0 FCAEMM CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccc2c1=O ZINC000129258899 488629891 /nfs/dbraw/zinc/62/98/91/488629891.db2.gz QJCYAOKTVQOASK-LLVKDONJSA-N -1 1 369.385 0.243 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCCOC1 ZINC000263918623 488635726 /nfs/dbraw/zinc/63/57/26/488635726.db2.gz DESOKJDOSIQXKJ-LBPRGKRZSA-N -1 1 370.427 0.778 10 0 FCAEMM O=S(=O)([N-]C[C@H](O)CN1CCOCC1)c1c(F)cccc1Cl ZINC000133112847 488657939 /nfs/dbraw/zinc/65/79/39/488657939.db2.gz LOGMUSSDUXKZFC-JTQLQIEISA-N -1 1 352.815 0.451 10 0 FCAEMM CCc1nc2n(n1)C[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)CC2 ZINC000151991941 488712571 /nfs/dbraw/zinc/71/25/71/488712571.db2.gz XYPHFZPXJRRRAW-SNVBAGLBSA-N -1 1 353.404 0.086 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccnn3C)CC2)co1 ZINC000152705392 488721901 /nfs/dbraw/zinc/72/19/01/488721901.db2.gz MPJOZPROYCLMRR-UHFFFAOYSA-N -1 1 352.416 0.941 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000274725557 488730244 /nfs/dbraw/zinc/73/02/44/488730244.db2.gz BOJJZGAIYLQPFH-NSHDSACASA-N -1 1 351.432 0.798 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(C)c1 ZINC000274894251 488741447 /nfs/dbraw/zinc/74/14/47/488741447.db2.gz GOIXOPATUSMRHU-GFCCVEGCSA-N -1 1 367.383 0.479 10 0 FCAEMM CCC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000274913710 488743239 /nfs/dbraw/zinc/74/32/39/488743239.db2.gz LEHPDLVCRGKFNR-ZDUSSCGKSA-N -1 1 351.384 0.977 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274928128 488744429 /nfs/dbraw/zinc/74/44/29/488744429.db2.gz OHUAJVXQNZGGGH-CYBMUJFWSA-N -1 1 367.383 0.312 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000274989591 488751063 /nfs/dbraw/zinc/75/10/63/488751063.db2.gz MODWJHXBLMAFEK-LBPRGKRZSA-N -1 1 356.400 0.633 10 0 FCAEMM Cn1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])nc1Cl ZINC000275024754 488754332 /nfs/dbraw/zinc/75/43/32/488754332.db2.gz SHEVTZBMCPQQNP-SECBINFHSA-N -1 1 350.828 0.291 10 0 FCAEMM CCn1nc(C)c(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1C ZINC000275027371 488754664 /nfs/dbraw/zinc/75/46/64/488754664.db2.gz STZBLGUDVZEJOO-ZDUSSCGKSA-N -1 1 358.464 0.737 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000277906185 488792623 /nfs/dbraw/zinc/79/26/23/488792623.db2.gz MFOYZNOTEGXDCI-KWQFWETISA-N -1 1 370.349 0.963 10 0 FCAEMM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cn1 ZINC000173418270 488842510 /nfs/dbraw/zinc/84/25/10/488842510.db2.gz ZEAOSUIKWIXRJH-SNVBAGLBSA-N -1 1 358.855 0.754 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173963551 488846430 /nfs/dbraw/zinc/84/64/30/488846430.db2.gz YDERCKIRTDDOEG-MLGOLLRUSA-N -1 1 373.457 0.361 10 0 FCAEMM COC(=O)c1sccc1NC(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000281114956 489054727 /nfs/dbraw/zinc/05/47/27/489054727.db2.gz XBWAESDWDLGXIR-UHFFFAOYSA-N -1 1 365.415 0.764 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000365462902 489078210 /nfs/dbraw/zinc/07/82/10/489078210.db2.gz CDONOXFMZBAKDY-YHWZYXNKSA-N -1 1 358.398 0.910 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC2CCC1CC2 ZINC000563262586 491233610 /nfs/dbraw/zinc/23/36/10/491233610.db2.gz YRLAUEAOUKLCJY-XVSSEFHLSA-N -1 1 355.460 0.577 10 0 FCAEMM CN(C1CCCCC1)S(=O)(=O)N1CCN(CC2(C(=O)[O-])CC2)CC1 ZINC000570338545 491234806 /nfs/dbraw/zinc/23/48/06/491234806.db2.gz XQOINTIFCQSWNX-UHFFFAOYSA-N -1 1 359.492 0.978 10 0 FCAEMM CCOCc1nc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)no1 ZINC000290804101 489166395 /nfs/dbraw/zinc/16/63/95/489166395.db2.gz AMMCWTQVLZRNSC-MRVPVSSYSA-N -1 1 358.376 0.598 10 0 FCAEMM C[C@@]1(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)Cc2ccccc2C(=O)O1 ZINC000282976887 489203260 /nfs/dbraw/zinc/20/32/60/489203260.db2.gz SRBQRKCLMWYIHZ-SGTLLEGYSA-N -1 1 356.382 0.976 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2COC(=O)N2)c1 ZINC000283074287 489213178 /nfs/dbraw/zinc/21/31/78/489213178.db2.gz ASTGSFZPBSJBBM-LLVKDONJSA-N -1 1 357.388 0.470 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])[C@H]1COC(=O)N1 ZINC000283195073 489225386 /nfs/dbraw/zinc/22/53/86/489225386.db2.gz IEBHZJWEEOKBJZ-LLVKDONJSA-N -1 1 355.372 0.224 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)o1 ZINC000283517165 489268826 /nfs/dbraw/zinc/26/88/26/489268826.db2.gz FNNPRDLTNKERPU-FZMZJTMJSA-N -1 1 372.443 0.485 10 0 FCAEMM CC1=C[C@@H](C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1 ZINC000349485035 489297645 /nfs/dbraw/zinc/29/76/45/489297645.db2.gz TYYZSCTVOYUBAQ-SNVBAGLBSA-N -1 1 360.448 0.789 10 0 FCAEMM COC(=O)CCS(=O)(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000298209026 489304103 /nfs/dbraw/zinc/30/41/03/489304103.db2.gz NJNPEIBLPHJXGR-UHFFFAOYSA-N -1 1 366.417 0.372 10 0 FCAEMM COCCCOC1CN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000370311985 489343469 /nfs/dbraw/zinc/34/34/69/489343469.db2.gz ZXHZTSVPYPNANC-UHFFFAOYSA-N -1 1 372.425 0.947 10 0 FCAEMM CCO[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000298683843 489352757 /nfs/dbraw/zinc/35/27/57/489352757.db2.gz BONITBRBXQFHCR-DOMZBBRYSA-N -1 1 370.427 0.777 10 0 FCAEMM Cn1ccnc1-c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)[nH]n1 ZINC000370902788 489425644 /nfs/dbraw/zinc/42/56/44/489425644.db2.gz MPFZNJIIJHHHKI-UHFFFAOYSA-N -1 1 368.353 0.907 10 0 FCAEMM Cc1cnc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000426644382 489578089 /nfs/dbraw/zinc/57/80/89/489578089.db2.gz CVNFZUNDVOUWMT-OLZOCXBDSA-N -1 1 354.428 0.904 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000428411159 489647181 /nfs/dbraw/zinc/64/71/81/489647181.db2.gz HFJCHRWODVMPGR-YPMHNXCESA-N -1 1 358.416 0.284 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NS(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000563790940 491269131 /nfs/dbraw/zinc/26/91/31/491269131.db2.gz OQWBHAXUDKAYQP-SNVBAGLBSA-N -1 1 363.461 0.689 10 0 FCAEMM CC[C@@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000469678813 489720258 /nfs/dbraw/zinc/72/02/58/489720258.db2.gz CYBIRDIXHYXVEW-LLVKDONJSA-N -1 1 357.432 0.838 10 0 FCAEMM Cn1c(SCC(=O)NC2(c3nn[n-]n3)CC2)nnc1-c1cccs1 ZINC000430319059 489731139 /nfs/dbraw/zinc/73/11/39/489731139.db2.gz UZICLIOMCTWBBT-UHFFFAOYSA-N -1 1 362.444 0.954 10 0 FCAEMM O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NC1(c2nn[n-]n2)CC1 ZINC000430317326 489731359 /nfs/dbraw/zinc/73/13/59/489731359.db2.gz IBGHGAXAJUGJFM-RUZDIDTESA-N -1 1 363.399 0.274 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000430336358 489732286 /nfs/dbraw/zinc/73/22/86/489732286.db2.gz YTNPPWWWUDCJQA-CYBMUJFWSA-N -1 1 350.386 0.917 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(F)cc2)[n-]1 ZINC000474450337 489763860 /nfs/dbraw/zinc/76/38/60/489763860.db2.gz JNOSJRUTAHIAJR-SECBINFHSA-N -1 1 356.379 0.741 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(F)cc2)n[n-]1 ZINC000474450337 489763866 /nfs/dbraw/zinc/76/38/66/489763866.db2.gz JNOSJRUTAHIAJR-SECBINFHSA-N -1 1 356.379 0.741 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)c(=O)n(C)c1=O ZINC000476220796 489875220 /nfs/dbraw/zinc/87/52/20/489875220.db2.gz NZKDASWFGBAAJS-UHFFFAOYSA-N -1 1 355.460 0.889 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CCO)CC2)c(F)c1 ZINC000494605200 489899959 /nfs/dbraw/zinc/89/99/59/489899959.db2.gz RWLHRHBGKUDOSF-UHFFFAOYSA-N -1 1 366.436 0.638 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CO[C@@H](C)c2nccn2C)c1 ZINC000461465528 489913025 /nfs/dbraw/zinc/91/30/25/489913025.db2.gz WTJPHBWOYBMTPN-JTQLQIEISA-N -1 1 368.415 0.750 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)COCc2cc(C)no2)c1 ZINC000461463023 489913044 /nfs/dbraw/zinc/91/30/44/489913044.db2.gz CXASMPOFOHLBNQ-UHFFFAOYSA-N -1 1 355.372 0.752 10 0 FCAEMM Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC000377598906 489928991 /nfs/dbraw/zinc/92/89/91/489928991.db2.gz HYOITSZOOAVJLV-OCCSQVGLSA-N -1 1 356.386 0.461 10 0 FCAEMM CCOc1ccccc1[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)NC(C)=O ZINC000477024170 489932246 /nfs/dbraw/zinc/93/22/46/489932246.db2.gz JWSBTTFAMDFIBE-CYBMUJFWSA-N -1 1 358.402 0.971 10 0 FCAEMM Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC3(c4nn[n-]n4)CC3)c2)cc1 ZINC000477056218 489936013 /nfs/dbraw/zinc/93/60/13/489936013.db2.gz KJIQDXUMKSTBAL-UHFFFAOYSA-N -1 1 372.410 0.966 10 0 FCAEMM CC1(C)[C@H](O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462155716 489961301 /nfs/dbraw/zinc/96/13/01/489961301.db2.gz NUUDTEOVKWNKBW-GFCCVEGCSA-N -1 1 366.436 0.731 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000464892504 490073244 /nfs/dbraw/zinc/07/32/44/490073244.db2.gz LCQBDPHHJXPBMD-ZYHUDNBSSA-N -1 1 364.427 0.371 10 0 FCAEMM CC[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000479449229 490091537 /nfs/dbraw/zinc/09/15/37/490091537.db2.gz YXSAEJLFIAYLJU-XYPYZODXSA-N -1 1 357.432 0.742 10 0 FCAEMM CC(=O)NC1CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000388053998 490133971 /nfs/dbraw/zinc/13/39/71/490133971.db2.gz AINSHYXUGZDDPG-UHFFFAOYSA-N -1 1 360.151 0.957 10 0 FCAEMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000506877034 490148429 /nfs/dbraw/zinc/14/84/29/490148429.db2.gz UCGNINNBGLLNBV-SECBINFHSA-N -1 1 369.374 0.987 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)cnc2n1 ZINC000521059488 490219827 /nfs/dbraw/zinc/21/98/27/490219827.db2.gz VHFNNUMYPJKMIH-NSHDSACASA-N -1 1 364.427 0.785 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](CS(N)(=O)=O)C1)c2=O ZINC000521059488 490219830 /nfs/dbraw/zinc/21/98/30/490219830.db2.gz VHFNNUMYPJKMIH-NSHDSACASA-N -1 1 364.427 0.785 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cn1C ZINC000467304885 490280340 /nfs/dbraw/zinc/28/03/40/490280340.db2.gz IEMROHYCWBMLTI-UHFFFAOYSA-N -1 1 354.363 0.424 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000521878314 490306558 /nfs/dbraw/zinc/30/65/58/490306558.db2.gz SDJCFPVIUUAFMQ-UHFFFAOYSA-N -1 1 364.431 0.372 10 0 FCAEMM CNC(=O)[C@H](CNc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccc(OC)c(F)c1 ZINC000521997265 490322706 /nfs/dbraw/zinc/32/27/06/490322706.db2.gz FACCNEFCHWZBJE-JTQLQIEISA-N -1 1 374.376 0.597 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000547590416 490325436 /nfs/dbraw/zinc/32/54/36/490325436.db2.gz VDEUJYCMQIHCQL-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000508545137 490337323 /nfs/dbraw/zinc/33/73/23/490337323.db2.gz IEIJQOFVCFGLJY-ONGXEEELSA-N -1 1 355.416 0.920 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)o1 ZINC000468051024 490357503 /nfs/dbraw/zinc/35/75/03/490357503.db2.gz SLSSRUIGBXKBHD-RYUDHWBXSA-N -1 1 363.395 0.329 10 0 FCAEMM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547873517 490372419 /nfs/dbraw/zinc/37/24/19/490372419.db2.gz LWZWQDZJWQMFIG-TUAOUCFPSA-N -1 1 359.404 0.057 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000468323902 490386225 /nfs/dbraw/zinc/38/62/25/490386225.db2.gz PAKJCVKLTOSGQC-GOSISDBHSA-N -1 1 371.397 0.281 10 0 FCAEMM CCCc1nc(=NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)s[n-]1 ZINC000411207035 490403289 /nfs/dbraw/zinc/40/32/89/490403289.db2.gz MQZJKSQMOHLVTA-LBPRGKRZSA-N -1 1 369.491 0.420 10 0 FCAEMM Cc1nnc(CN2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)[nH]1 ZINC000522871329 490414962 /nfs/dbraw/zinc/41/49/62/490414962.db2.gz LTHSFDQMKAEUHK-UHFFFAOYSA-N -1 1 353.386 0.308 10 0 FCAEMM Cc1ccsc1-c1nc(=NC(=O)C(=O)N(C)CCN(C)C)s[n-]1 ZINC000411334931 490433293 /nfs/dbraw/zinc/43/32/93/490433293.db2.gz COJDFZPOJRKXGJ-UHFFFAOYSA-N -1 1 353.473 0.955 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)co1 ZINC000509887934 490472821 /nfs/dbraw/zinc/47/28/21/490472821.db2.gz TVFYMMFWXANXHM-JTQLQIEISA-N -1 1 365.415 0.580 10 0 FCAEMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422829213 490480934 /nfs/dbraw/zinc/48/09/34/490480934.db2.gz PPTFBMFTKRGLMU-NSHDSACASA-N -1 1 350.419 0.989 10 0 FCAEMM CC1CCC(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)CC1 ZINC000422817491 490481537 /nfs/dbraw/zinc/48/15/37/490481537.db2.gz DHFYYTVRANGQKM-SLTAFYQDSA-N -1 1 351.447 0.642 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)o1 ZINC000510490890 490521326 /nfs/dbraw/zinc/52/13/26/490521326.db2.gz RSAMJLBOHCWGLX-QMMMGPOBSA-N -1 1 351.402 0.310 10 0 FCAEMM CC(C)[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000500567271 490535720 /nfs/dbraw/zinc/53/57/20/490535720.db2.gz HIFHNUSXOJILMB-MXWKQRLJSA-N -1 1 359.452 0.281 10 0 FCAEMM CC(C)[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000500567271 490535725 /nfs/dbraw/zinc/53/57/25/490535725.db2.gz HIFHNUSXOJILMB-MXWKQRLJSA-N -1 1 359.452 0.281 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cncn2-c2ccc(F)cc2)[n-]1 ZINC000500573293 490535834 /nfs/dbraw/zinc/53/58/34/490535834.db2.gz AHJHVOYVYZSLNS-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cncn2-c2ccc(F)cc2)n1 ZINC000500573293 490535840 /nfs/dbraw/zinc/53/58/40/490535840.db2.gz AHJHVOYVYZSLNS-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000524576636 490544575 /nfs/dbraw/zinc/54/45/75/490544575.db2.gz SHXLDQJBQMSWMI-VXGBXAGGSA-N -1 1 360.418 0.651 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c(C(F)(F)F)n1 ZINC000549799362 490607207 /nfs/dbraw/zinc/60/72/07/490607207.db2.gz AWPVQGQFDRVNKC-LLVKDONJSA-N -1 1 357.354 0.506 10 0 FCAEMM CN1c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2OCC1=O ZINC000525680623 490619450 /nfs/dbraw/zinc/61/94/50/490619450.db2.gz LUTKZYYAUXXCJO-UHFFFAOYSA-N -1 1 361.379 0.942 10 0 FCAEMM Cn1nc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c2ccccc2c1=O ZINC000537122599 490650514 /nfs/dbraw/zinc/65/05/14/490650514.db2.gz FNZRHDZSPQQJOE-LLVKDONJSA-N -1 1 353.386 0.395 10 0 FCAEMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000486891463 490678848 /nfs/dbraw/zinc/67/88/48/490678848.db2.gz DKJGGHJGMCSXPS-UHFFFAOYSA-N -1 1 358.383 0.870 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](O)Cc2ccccc2)c1 ZINC000486943413 490681409 /nfs/dbraw/zinc/68/14/09/490681409.db2.gz UJDXNNFBBFEDEW-LBPRGKRZSA-N -1 1 350.396 0.972 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CSCC(=O)c2ccccc2)n1 ZINC000512564038 490687997 /nfs/dbraw/zinc/68/79/97/490687997.db2.gz HOIALZIVDUTCMS-UHFFFAOYSA-N -1 1 354.413 0.763 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CSCC(=O)c2ccccc2)[n-]1 ZINC000512564038 490687999 /nfs/dbraw/zinc/68/79/99/490687999.db2.gz HOIALZIVDUTCMS-UHFFFAOYSA-N -1 1 354.413 0.763 10 0 FCAEMM CSc1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c2ccccn21 ZINC000512645643 490690524 /nfs/dbraw/zinc/69/05/24/490690524.db2.gz KORTWHMFMOBIJX-UHFFFAOYSA-N -1 1 352.401 0.830 10 0 FCAEMM CSc1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c2ccccn21 ZINC000512645643 490690527 /nfs/dbraw/zinc/69/05/27/490690527.db2.gz KORTWHMFMOBIJX-UHFFFAOYSA-N -1 1 352.401 0.830 10 0 FCAEMM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000512665636 490691530 /nfs/dbraw/zinc/69/15/30/490691530.db2.gz OMUBCBBEJPYYRJ-SECBINFHSA-N -1 1 357.436 0.622 10 0 FCAEMM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000512665636 490691534 /nfs/dbraw/zinc/69/15/34/490691534.db2.gz OMUBCBBEJPYYRJ-SECBINFHSA-N -1 1 357.436 0.622 10 0 FCAEMM Cc1ccc(CCC(=O)NCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512661786 490691754 /nfs/dbraw/zinc/69/17/54/490691754.db2.gz TXCKZGYKTJDTKU-UHFFFAOYSA-N -1 1 365.415 0.204 10 0 FCAEMM Cc1ccc(CCC(=O)NCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000512661786 490691758 /nfs/dbraw/zinc/69/17/58/490691758.db2.gz TXCKZGYKTJDTKU-UHFFFAOYSA-N -1 1 365.415 0.204 10 0 FCAEMM O=C(Cn1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1)NC1CCCC1 ZINC000538226299 490720938 /nfs/dbraw/zinc/72/09/38/490720938.db2.gz OWEJKGNCLXDIHQ-LBPRGKRZSA-N -1 1 372.433 0.475 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C/c2ccccc2)o1 ZINC000539789135 490796562 /nfs/dbraw/zinc/79/65/62/490796562.db2.gz RIHBWHMPAVQZPA-QPJJXVBHSA-N -1 1 363.395 0.486 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000516117484 490852085 /nfs/dbraw/zinc/85/20/85/490852085.db2.gz GBXKHGKXLFOMRX-UHFFFAOYSA-N -1 1 366.378 0.823 10 0 FCAEMM Cn1[n-]c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1=O ZINC000541590651 490867044 /nfs/dbraw/zinc/86/70/44/490867044.db2.gz CYLDFWBLXASGNH-UHFFFAOYSA-N -1 1 365.821 0.485 10 0 FCAEMM COc1ccc(NC(=O)[C@@H](O)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000530573650 490913619 /nfs/dbraw/zinc/91/36/19/490913619.db2.gz TUDWUEOMTWHMFW-AWEZNQCLSA-N -1 1 358.416 0.793 10 0 FCAEMM CN1CCN(C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)c2ccccc2)CC1 ZINC000530725234 490921396 /nfs/dbraw/zinc/92/13/96/490921396.db2.gz PJIDOMOTORMUPE-MRXNPFEDSA-N -1 1 371.441 0.204 10 0 FCAEMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)C2)C1 ZINC000543845924 490949547 /nfs/dbraw/zinc/94/95/47/490949547.db2.gz WAGHYSFQHHCGLH-MEDUHNTESA-N -1 1 369.443 0.696 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000519694953 490984681 /nfs/dbraw/zinc/98/46/81/490984681.db2.gz UVORBXLXVYMFAY-CMPLNLGQSA-N -1 1 372.381 0.816 10 0 FCAEMM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000554154074 491180298 /nfs/dbraw/zinc/18/02/98/491180298.db2.gz DYUCEWOELPSWEG-SECBINFHSA-N -1 1 363.386 0.671 10 0 FCAEMM Cc1n[nH]c(C)c1NS(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F ZINC000565432198 491376335 /nfs/dbraw/zinc/37/63/35/491376335.db2.gz LOZRZKXJLHASHY-UHFFFAOYSA-N -1 1 374.435 0.733 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c(C(F)(F)F)n1 ZINC000575763648 491559127 /nfs/dbraw/zinc/55/91/27/491559127.db2.gz XGWUJQZDNUWFRT-SSDOTTSWSA-N -1 1 353.326 0.184 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c(C(F)(F)F)n1 ZINC000575763653 491559301 /nfs/dbraw/zinc/55/93/01/491559301.db2.gz XGWUJQZDNUWFRT-ZETCQYMHSA-N -1 1 353.326 0.184 10 0 FCAEMM CN(C)Cc1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cn1 ZINC000580050475 491714705 /nfs/dbraw/zinc/71/47/05/491714705.db2.gz ROLFHJQYJJLITD-UHFFFAOYSA-N -1 1 356.433 0.619 10 0 FCAEMM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cccc(F)c1F ZINC000585809119 491730261 /nfs/dbraw/zinc/73/02/61/491730261.db2.gz RXMZYMBTEYJMPH-UHFFFAOYSA-N -1 1 354.400 0.669 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)[C@@H]1n1cccn1 ZINC000580622408 491739121 /nfs/dbraw/zinc/73/91/21/491739121.db2.gz YIKWFQJUOZVXPB-BZPMIXESSA-N -1 1 368.415 0.533 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(C)(C)C ZINC000592029538 491828160 /nfs/dbraw/zinc/82/81/60/491828160.db2.gz NEVIBLJITUTPEC-QWHCGFSZSA-N -1 1 351.465 0.935 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC000592097739 491832155 /nfs/dbraw/zinc/83/21/55/491832155.db2.gz SIZMLSAXELSSIP-HNNXBMFYSA-N -1 1 367.427 0.900 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000600501830 491864970 /nfs/dbraw/zinc/86/49/70/491864970.db2.gz AKDNXZSEHMHHPI-UHFFFAOYSA-N -1 1 358.778 0.853 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)o1 ZINC000594847346 491865971 /nfs/dbraw/zinc/86/59/71/491865971.db2.gz DIVSIDSFSRBHPN-IUCAKERBSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC ZINC000594862635 491867890 /nfs/dbraw/zinc/86/78/90/491867890.db2.gz BLDJPNVGSJWANA-UHIISALHSA-N -1 1 353.412 0.929 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]2CCC[C@@H]21 ZINC000600546712 491868266 /nfs/dbraw/zinc/86/82/66/491868266.db2.gz KFNZHRUMNSUHJS-BBBLOLIVSA-N -1 1 351.359 0.700 10 0 FCAEMM O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(I)ccc1[O-] ZINC000600594474 491870125 /nfs/dbraw/zinc/87/01/25/491870125.db2.gz YGFVYEXJIVAQAC-KOLCDFICSA-N -1 1 363.151 0.876 10 0 FCAEMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601402824 491913974 /nfs/dbraw/zinc/91/39/74/491913974.db2.gz XDKFHHBGZLKVRA-HUUCEWRRSA-N -1 1 362.492 0.748 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)cc1C ZINC000595302760 491915359 /nfs/dbraw/zinc/91/53/59/491915359.db2.gz MVLUFZFFLBDOCW-UHFFFAOYSA-N -1 1 354.388 0.433 10 0 FCAEMM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)CC1 ZINC000595363890 491924151 /nfs/dbraw/zinc/92/41/51/491924151.db2.gz LBNHDOFHJMUHAQ-UHFFFAOYSA-N -1 1 351.402 0.312 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(S(=O)(=O)CC)CC2)o1 ZINC000595365124 491924563 /nfs/dbraw/zinc/92/45/63/491924563.db2.gz XKJURKOJGYURQC-UHFFFAOYSA-N -1 1 365.429 0.702 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)n[n-]1 ZINC000597582079 492049417 /nfs/dbraw/zinc/04/94/17/492049417.db2.gz VTQBZFFJZYREFC-UWVGGRQHSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)[n-]1 ZINC000597582079 492049418 /nfs/dbraw/zinc/04/94/18/492049418.db2.gz VTQBZFFJZYREFC-UWVGGRQHSA-N -1 1 352.395 0.208 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC000597582079 492049420 /nfs/dbraw/zinc/04/94/20/492049420.db2.gz VTQBZFFJZYREFC-UWVGGRQHSA-N -1 1 352.395 0.208 10 0 FCAEMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000614769085 492054064 /nfs/dbraw/zinc/05/40/64/492054064.db2.gz DJHXODXQZQMFOT-UHFFFAOYSA-N -1 1 354.409 0.990 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266407 492082291 /nfs/dbraw/zinc/08/22/91/492082291.db2.gz STSUBDYIWDPFKT-CHWSQXEVSA-N -1 1 373.413 0.680 10 0 FCAEMM Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266407 492082293 /nfs/dbraw/zinc/08/22/93/492082293.db2.gz STSUBDYIWDPFKT-CHWSQXEVSA-N -1 1 373.413 0.680 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)CC2CCCCC2)n[n-]1 ZINC000615918700 492106980 /nfs/dbraw/zinc/10/69/80/492106980.db2.gz XGKHJUZVOCRQGH-UHFFFAOYSA-N -1 1 351.407 0.684 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)CC2CCCCC2)n1 ZINC000615918700 492106982 /nfs/dbraw/zinc/10/69/82/492106982.db2.gz XGKHJUZVOCRQGH-UHFFFAOYSA-N -1 1 351.407 0.684 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)n[n-]1 ZINC000615919255 492107374 /nfs/dbraw/zinc/10/73/74/492107374.db2.gz CEWWWVADLSQCLR-NSHDSACASA-N -1 1 360.370 0.858 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)n1 ZINC000615919255 492107375 /nfs/dbraw/zinc/10/73/75/492107375.db2.gz CEWWWVADLSQCLR-NSHDSACASA-N -1 1 360.370 0.858 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)Cn2c3ccccc3n(CC)c2=O)n[n-]1 ZINC000615919823 492108058 /nfs/dbraw/zinc/10/80/58/492108058.db2.gz MZTDGFHMMCYKTE-UHFFFAOYSA-N -1 1 372.385 0.434 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)Cn2c3ccccc3n(CC)c2=O)n1 ZINC000615919823 492108059 /nfs/dbraw/zinc/10/80/59/492108059.db2.gz MZTDGFHMMCYKTE-UHFFFAOYSA-N -1 1 372.385 0.434 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN(CCc2ccccc2)C(C)=O)n[n-]1 ZINC000616028450 492114852 /nfs/dbraw/zinc/11/48/52/492114852.db2.gz GYQNVONHUYOCTB-UHFFFAOYSA-N -1 1 373.413 0.689 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN(CCc2ccccc2)C(C)=O)n1 ZINC000616028450 492114853 /nfs/dbraw/zinc/11/48/53/492114853.db2.gz GYQNVONHUYOCTB-UHFFFAOYSA-N -1 1 373.413 0.689 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@](C)(C(=O)OC)C2CC2)on1 ZINC000599237847 492147394 /nfs/dbraw/zinc/14/73/94/492147394.db2.gz MNTBWKBMFPVEOX-AWEZNQCLSA-N -1 1 360.388 0.612 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(CNC(C)=O)cc2)co1 ZINC000617160951 492158291 /nfs/dbraw/zinc/15/82/91/492158291.db2.gz QRSHTCVILGYROU-UHFFFAOYSA-N -1 1 365.411 0.754 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000599402922 492168768 /nfs/dbraw/zinc/16/87/68/492168768.db2.gz HAYLLBSLQFFGDM-FZMZJTMJSA-N -1 1 372.443 0.175 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000608358931 492173878 /nfs/dbraw/zinc/17/38/78/492173878.db2.gz NUCQMCALLPNUTD-UHFFFAOYSA-N -1 1 364.362 0.714 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)[n-]1 ZINC000608358931 492173880 /nfs/dbraw/zinc/17/38/80/492173880.db2.gz NUCQMCALLPNUTD-UHFFFAOYSA-N -1 1 364.362 0.714 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000608365777 492174299 /nfs/dbraw/zinc/17/42/99/492174299.db2.gz BGBKQYZDNVSAOY-VHSXEESVSA-N -1 1 356.375 0.505 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000599476027 492178065 /nfs/dbraw/zinc/17/80/65/492178065.db2.gz HDWJMUFXIYETEC-UHFFFAOYSA-N -1 1 368.333 0.452 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000599476817 492178447 /nfs/dbraw/zinc/17/84/47/492178447.db2.gz MHIBFEYKPCDSPR-UHFFFAOYSA-N -1 1 366.798 0.827 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1C ZINC000599513931 492182570 /nfs/dbraw/zinc/18/25/70/492182570.db2.gz BDQLXKHAZFXCTD-SKDRFNHKSA-N -1 1 371.371 0.875 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617891474 492203722 /nfs/dbraw/zinc/20/37/22/492203722.db2.gz ZHNNFSUPPAQSDQ-KOLCDFICSA-N -1 1 353.318 0.953 10 0 FCAEMM COC(=O)[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CCCCC1 ZINC000600407149 492267695 /nfs/dbraw/zinc/26/76/95/492267695.db2.gz OTISQUWTPSILCK-SNVBAGLBSA-N -1 1 353.375 0.996 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)co1 ZINC000600464845 492272315 /nfs/dbraw/zinc/27/23/15/492272315.db2.gz ZXCRHGYZZQDHSG-CMPLNLGQSA-N -1 1 374.415 0.276 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)co1 ZINC000619980038 492285308 /nfs/dbraw/zinc/28/53/08/492285308.db2.gz HSQWFRRKLYUUAJ-NSHDSACASA-N -1 1 358.420 0.016 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(CC(N)=O)CCCCC2)co1 ZINC000620700200 492324231 /nfs/dbraw/zinc/32/42/31/492324231.db2.gz CALKVUNRTOYBJA-UHFFFAOYSA-N -1 1 357.432 0.743 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000641984565 492327029 /nfs/dbraw/zinc/32/70/29/492327029.db2.gz XPLRIVIDTJRFKG-CQSZACIVSA-N -1 1 356.382 0.387 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)co1 ZINC000634236300 492329245 /nfs/dbraw/zinc/32/92/45/492329245.db2.gz VFTJXDAMMGCVDA-DTWKUNHWSA-N -1 1 356.322 0.431 10 0 FCAEMM CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000647592482 492330038 /nfs/dbraw/zinc/33/00/38/492330038.db2.gz HLWXTDAHQXCHMU-NWANDNLSSA-N -1 1 365.405 0.914 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)o1 ZINC000642262012 492346487 /nfs/dbraw/zinc/34/64/87/492346487.db2.gz UNABPOQAHQCTCG-UHFFFAOYSA-N -1 1 371.459 0.908 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299457 492430188 /nfs/dbraw/zinc/43/01/88/492430188.db2.gz MZXVPAQFWILOIM-UONOGXRCSA-N -1 1 367.471 0.729 10 0 FCAEMM Cc1ccc(-c2n[nH]c(NC(=O)CC3(n4cnnn4)CCOCC3)n2)o1 ZINC000621917066 492432329 /nfs/dbraw/zinc/43/23/29/492432329.db2.gz JSVMCGYNLZWCSW-UHFFFAOYSA-N -1 1 358.362 0.894 10 0 FCAEMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000643450985 492465982 /nfs/dbraw/zinc/46/59/82/492465982.db2.gz MPZBTZKSUNVGLI-NWDGAFQWSA-N -1 1 357.370 0.775 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCC(F)(F)CC1 ZINC000655664281 492474942 /nfs/dbraw/zinc/47/49/42/492474942.db2.gz SIQBOPXMTLHGHI-SECBINFHSA-N -1 1 365.402 0.576 10 0 FCAEMM C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)CC(F)F ZINC000648961312 492480732 /nfs/dbraw/zinc/48/07/32/492480732.db2.gz AAJDQXJZIVVPAS-ZETCQYMHSA-N -1 1 353.347 0.064 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(NC(=O)[C@H]4C[C@@H]4C)cc3)nc2n1 ZINC000622871769 492491584 /nfs/dbraw/zinc/49/15/84/492491584.db2.gz ICOMTZFCOHBOCQ-ZANVPECISA-N -1 1 366.381 0.995 10 0 FCAEMM COCCCOc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cn1 ZINC000622871997 492491691 /nfs/dbraw/zinc/49/16/91/492491691.db2.gz QWBWUPWVGRGMBN-UHFFFAOYSA-N -1 1 358.358 0.789 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871291 492492092 /nfs/dbraw/zinc/49/20/92/492492092.db2.gz XECBAYUBUBFZJC-SCZZXKLOSA-N -1 1 364.431 0.612 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc4c(cc3OC)OCO4)nc2n1 ZINC000622994548 492497798 /nfs/dbraw/zinc/49/77/98/492497798.db2.gz TWGMRRJNTGWFJJ-UHFFFAOYSA-N -1 1 357.326 0.970 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)nc2n1 ZINC000643909344 492601347 /nfs/dbraw/zinc/60/13/47/492601347.db2.gz SYVKYKYVKCUHEJ-LLVKDONJSA-N -1 1 360.418 0.949 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)CCOCC1 ZINC000650164958 492619380 /nfs/dbraw/zinc/61/93/80/492619380.db2.gz FMLZNOPHGFNQNO-CQSZACIVSA-N -1 1 359.448 0.999 10 0 FCAEMM Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000656512380 492627288 /nfs/dbraw/zinc/62/72/88/492627288.db2.gz JWVUGIJHQKKWQI-AWEZNQCLSA-N -1 1 369.443 0.311 10 0 FCAEMM COc1ncc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1Cl ZINC000650415144 492639153 /nfs/dbraw/zinc/63/91/53/492639153.db2.gz VFCSKOAPVPYMIZ-UHFFFAOYSA-N -1 1 363.823 0.525 10 0 FCAEMM O=C([O-])CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)CC1CC1 ZINC000650510362 492647715 /nfs/dbraw/zinc/64/77/15/492647715.db2.gz YSJKQIPEMAHJHM-UHFFFAOYSA-N -1 1 367.490 0.934 10 0 FCAEMM C[C@@H]1C[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000629628276 492660358 /nfs/dbraw/zinc/66/03/58/492660358.db2.gz DXZKRUMWDDZNEQ-RKDXNWHRSA-N -1 1 354.400 0.917 10 0 FCAEMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656896993 492662240 /nfs/dbraw/zinc/66/22/40/492662240.db2.gz KUZGBYJULDLDKV-SNVBAGLBSA-N -1 1 364.265 0.843 10 0 FCAEMM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ncccc2Br)cn1 ZINC000656943533 492675446 /nfs/dbraw/zinc/67/54/46/492675446.db2.gz JVICKJYIEZVYOF-SNVBAGLBSA-N -1 1 361.221 0.590 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1CCOC1 ZINC000656955421 492677962 /nfs/dbraw/zinc/67/79/62/492677962.db2.gz GEJHQACKWUTLNU-KCPJHIHWSA-N -1 1 372.418 0.512 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@@H](c3ccccc3)C2(C)C)c(=O)n(C)c1=O ZINC000625352358 492760663 /nfs/dbraw/zinc/76/06/63/492760663.db2.gz LVTBWJKQAWWMGD-ZIAGYGMSSA-N -1 1 363.439 0.555 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000630712705 492768696 /nfs/dbraw/zinc/76/86/96/492768696.db2.gz KMQQEUNCMPSHDT-AWEZNQCLSA-N -1 1 364.837 0.975 10 0 FCAEMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1ncccc1Br ZINC000625383563 492770525 /nfs/dbraw/zinc/77/05/25/492770525.db2.gz NPMZLTMIXNSZLX-NXEZZACHSA-N -1 1 351.222 0.662 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O)C1CCOCC1 ZINC000625521654 492809450 /nfs/dbraw/zinc/80/94/50/492809450.db2.gz KZYHJTCLWNERBL-JKSUJKDBSA-N -1 1 368.455 0.911 10 0 FCAEMM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000625624744 492845261 /nfs/dbraw/zinc/84/52/61/492845261.db2.gz JIZCBJJEAJFKKD-UHFFFAOYSA-N -1 1 359.882 0.170 10 0 FCAEMM COc1cc(OC)cc(N2CCCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC000631777109 492851383 /nfs/dbraw/zinc/85/13/83/492851383.db2.gz XMFYYLVWHJQKRY-UHFFFAOYSA-N -1 1 360.418 0.888 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3nccn3C)C2=O)sn1 ZINC000632200710 492949076 /nfs/dbraw/zinc/94/90/76/492949076.db2.gz KUPLZBAYRLVSBC-LLVKDONJSA-N -1 1 369.472 0.655 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)c(C(F)(F)F)n1 ZINC000645838877 492982152 /nfs/dbraw/zinc/98/21/52/492982152.db2.gz QAEYRBWWZKGIHE-GFCCVEGCSA-N -1 1 371.381 0.895 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000632569117 493031305 /nfs/dbraw/zinc/03/13/05/493031305.db2.gz AENBQPCBNGXSJJ-LBPRGKRZSA-N -1 1 369.443 0.969 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000632771761 493086232 /nfs/dbraw/zinc/08/62/32/493086232.db2.gz SWTBOCYFPLKZJR-NSHDSACASA-N -1 1 359.354 0.212 10 0 FCAEMM Cc1nc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000653316068 493093811 /nfs/dbraw/zinc/09/38/11/493093811.db2.gz ZJUMLEWYYZHTCW-IYSWYEEDSA-N -1 1 373.295 0.790 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000633166571 493137267 /nfs/dbraw/zinc/13/72/67/493137267.db2.gz AIVPWYPTLZPLMY-JTQLQIEISA-N -1 1 367.207 0.970 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C(C)C ZINC000647125894 493167801 /nfs/dbraw/zinc/16/78/01/493167801.db2.gz FRAVMESMTFSALN-ZDUSSCGKSA-N -1 1 357.432 0.314 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1)C1CCOCC1 ZINC000647274353 493189398 /nfs/dbraw/zinc/18/93/98/493189398.db2.gz LMAJYLCDUFXDDM-AWEZNQCLSA-N -1 1 367.431 0.846 10 0 FCAEMM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000659645073 493227961 /nfs/dbraw/zinc/22/79/61/493227961.db2.gz UYRVEGUYGHFAAE-OAHLLOKOSA-N -1 1 359.426 0.748 10 0 FCAEMM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)CCO1 ZINC000681944181 493255685 /nfs/dbraw/zinc/25/56/85/493255685.db2.gz VCNPVIHPSOZLPO-LBPRGKRZSA-N -1 1 360.370 0.337 10 0 FCAEMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ncc2ccccc2c1[O-] ZINC000668153669 493322587 /nfs/dbraw/zinc/32/25/87/493322587.db2.gz VSHGMNNCRRIKNC-CYBMUJFWSA-N -1 1 356.382 0.407 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N(C)CCN3CCCS3(=O)=O)cnc2n1 ZINC000674605459 493433047 /nfs/dbraw/zinc/43/30/47/493433047.db2.gz VOSVOGPBYOEARG-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N(C)CCN3CCCS3(=O)=O)c[n-]c2n1 ZINC000674605459 493433049 /nfs/dbraw/zinc/43/30/49/493433049.db2.gz VOSVOGPBYOEARG-UHFFFAOYSA-N -1 1 364.427 0.751 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc(S(=O)(=O)N3CCCC3)o1)C2 ZINC000662219736 493497812 /nfs/dbraw/zinc/49/78/12/493497812.db2.gz HYSFDWMRAJPZHP-MLGOLLRUSA-N -1 1 370.427 0.597 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)sc1C ZINC000676416188 493550321 /nfs/dbraw/zinc/55/03/21/493550321.db2.gz ZKKCBPKPNDFQKK-UHFFFAOYSA-N -1 1 353.491 0.464 10 0 FCAEMM CCc1nc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cn1CC1CC1 ZINC000663287627 493582140 /nfs/dbraw/zinc/58/21/40/493582140.db2.gz ASNIVIWVTZKJFP-UHFFFAOYSA-N -1 1 370.475 0.637 10 0 FCAEMM C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@@H](C)O1 ZINC000663633486 493607818 /nfs/dbraw/zinc/60/78/18/493607818.db2.gz ITBBZICHAKZYAH-UMVBOHGHSA-N -1 1 369.462 0.219 10 0 FCAEMM C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CCN1S(C)(=O)=O ZINC000664383181 493656793 /nfs/dbraw/zinc/65/67/93/493656793.db2.gz JEPBFDKPQDOXGR-SNVBAGLBSA-N -1 1 350.400 0.029 10 0 FCAEMM COc1cccc([C@@H]2[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCN2C2CC2)c1 ZINC000679265630 493673595 /nfs/dbraw/zinc/67/35/95/493673595.db2.gz HGBLLCBJVDSPFM-UKRRQHHQSA-N -1 1 371.397 0.999 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nnc(C3CCC3)n2C)o1 ZINC000438898809 536802490 /nfs/dbraw/zinc/80/24/90/536802490.db2.gz XTTFYQMGSUMLAS-UHFFFAOYSA-N -1 1 354.388 0.941 10 0 FCAEMM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCN(C)S3(=O)=O)[nH]c21 ZINC000592608711 546657380 /nfs/dbraw/zinc/65/73/80/546657380.db2.gz ZREDVJPRERAAQZ-SNVBAGLBSA-N -1 1 352.372 0.322 10 0 FCAEMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)c1F ZINC000594484669 546797510 /nfs/dbraw/zinc/79/75/10/546797510.db2.gz JXJRWCIOLGGDFB-ZDUSSCGKSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1F)c1ccnn1C ZINC000594796013 546826616 /nfs/dbraw/zinc/82/66/16/546826616.db2.gz QXMBGVFLRZCWFW-AWEZNQCLSA-N -1 1 355.391 0.935 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)[C@H]1CCOC1 ZINC000594779967 546833055 /nfs/dbraw/zinc/83/30/55/546833055.db2.gz ZTVAEIPGUTVYHQ-IHRRRGAJSA-N -1 1 351.465 0.934 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)[C@@H]1CCOC1 ZINC000594779968 546833172 /nfs/dbraw/zinc/83/31/72/546833172.db2.gz ZTVAEIPGUTVYHQ-MCIONIFRSA-N -1 1 351.465 0.934 10 0 FCAEMM COc1cc(C(=O)N(CCO)CCN2CCOCC2)cc(Cl)c1[O-] ZINC000443049411 547015296 /nfs/dbraw/zinc/01/52/96/547015296.db2.gz LJRWVBFXHJUUHK-UHFFFAOYSA-N -1 1 358.822 0.821 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C)C2)c(Br)n1C ZINC000723383377 663379982 /nfs/dbraw/zinc/37/99/82/663379982.db2.gz INKZPSCPQBCUQW-QMMMGPOBSA-N -1 1 365.253 0.248 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1Cl ZINC000729489686 665718112 /nfs/dbraw/zinc/71/81/12/665718112.db2.gz CFQQYHKATDGVKK-JTQLQIEISA-N -1 1 374.825 0.835 10 0 FCAEMM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000291911589 663522516 /nfs/dbraw/zinc/52/25/16/663522516.db2.gz SKHUWPXJEMFMDZ-ZIAGYGMSSA-N -1 1 372.447 0.116 10 0 FCAEMM CC1(C)[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C[C@@H]1N1CCOCC1 ZINC000867451333 664210044 /nfs/dbraw/zinc/21/00/44/664210044.db2.gz FBJMAMNJFVOKSN-OLZOCXBDSA-N -1 1 365.521 0.582 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC2(CCO)CC2)c(Br)n1C ZINC000311377956 664256882 /nfs/dbraw/zinc/25/68/82/664256882.db2.gz AIDMHCLBXCXJOM-UHFFFAOYSA-N -1 1 352.254 0.932 10 0 FCAEMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c1F ZINC000916124098 666992770 /nfs/dbraw/zinc/99/27/70/666992770.db2.gz XYLTUYZFEKBBKE-HTQZYQBOSA-N -1 1 370.196 0.635 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000067051802 664867943 /nfs/dbraw/zinc/86/79/43/664867943.db2.gz MRZBKAKWUHTUJL-UHFFFAOYSA-N -1 1 355.445 0.358 10 0 FCAEMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C1 ZINC000866965962 665252027 /nfs/dbraw/zinc/25/20/27/665252027.db2.gz RCCSGMKCOWQXAT-YTEVENLXSA-N -1 1 359.473 0.989 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000866968572 665255711 /nfs/dbraw/zinc/25/57/11/665255711.db2.gz OIKWDCKDIVNDBG-ZNLKAECVSA-N -1 1 353.510 0.582 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@@H]2COC(=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000923751261 665297772 /nfs/dbraw/zinc/29/77/72/665297772.db2.gz MVTAZKWXPQFHHV-KBIXCLLPSA-N -1 1 351.325 0.789 10 0 FCAEMM O=C(C[C@@H](O)C(Cl)(Cl)Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907470507 666132244 /nfs/dbraw/zinc/13/22/44/666132244.db2.gz BHTDGOZYTFFJOQ-PHDIDXHHSA-N -1 1 360.654 0.937 10 0 FCAEMM C[C@@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCS1(=O)=O ZINC000908285691 666198310 /nfs/dbraw/zinc/19/83/10/666198310.db2.gz UHFZTXNZGCYCGT-MFKMUULPSA-N -1 1 370.393 0.871 10 0 FCAEMM CO[C@@H]1CN(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)[C@](C)(C(=O)[O-])C1 ZINC000908772972 666216984 /nfs/dbraw/zinc/21/69/84/666216984.db2.gz ZNYOQAPTXHBPRY-WSMBLCCSSA-N -1 1 357.451 0.759 10 0 FCAEMM C/C=C/[C@@H](O)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000908972705 666222603 /nfs/dbraw/zinc/22/26/03/666222603.db2.gz UVXODQCCOLTVBP-LGNGEFNBSA-N -1 1 364.364 0.998 10 0 FCAEMM COc1cc(COCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccn1 ZINC000910175042 666239801 /nfs/dbraw/zinc/23/98/01/666239801.db2.gz KFOHRXNKCCNOHJ-ZDUSSCGKSA-N -1 1 351.403 0.614 10 0 FCAEMM CCN1CCN(CC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC000910512107 666246910 /nfs/dbraw/zinc/24/69/10/666246910.db2.gz CSFAMMWZNORQBH-SFHVURJKSA-N -1 1 351.422 0.965 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)c1Cl ZINC000921323133 666433501 /nfs/dbraw/zinc/43/35/01/666433501.db2.gz DBDOQTBLIFPDEY-NXEZZACHSA-N -1 1 350.897 0.932 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000921338275 666435662 /nfs/dbraw/zinc/43/56/62/666435662.db2.gz FCDVHRUYZZNJQJ-ZDUSSCGKSA-N -1 1 352.815 0.451 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000921338482 666436026 /nfs/dbraw/zinc/43/60/26/666436026.db2.gz JNZLXRSZGHELOX-GFCCVEGCSA-N -1 1 370.258 0.360 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1ncccc1Br ZINC000921380228 666442284 /nfs/dbraw/zinc/44/22/84/666442284.db2.gz LXIUYWXTQOFIHA-VIFPVBQESA-N -1 1 367.221 0.701 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCSC1 ZINC000921401539 666443290 /nfs/dbraw/zinc/44/32/90/666443290.db2.gz ALUVWEVHYLHXJS-SECBINFHSA-N -1 1 356.267 0.973 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCS(=O)(=O)C1 ZINC000921465498 666448989 /nfs/dbraw/zinc/44/89/89/666448989.db2.gz HUDHOEVADCQHBW-LBPRGKRZSA-N -1 1 355.384 0.447 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2sccc2Cl)CCS(=O)(=O)C1 ZINC000921466378 666449414 /nfs/dbraw/zinc/44/94/14/666449414.db2.gz ABMTWPACTMCHLB-SNVBAGLBSA-N -1 1 359.878 0.884 10 0 FCAEMM COCC[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913876249 666661030 /nfs/dbraw/zinc/66/10/30/666661030.db2.gz SOTBCKPJHJZGNJ-UHFFFAOYSA-N -1 1 365.209 0.425 10 0 FCAEMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000733360844 666861517 /nfs/dbraw/zinc/86/15/17/666861517.db2.gz WLKKQCXKKRICPX-SECBINFHSA-N -1 1 361.383 0.662 10 0 FCAEMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000733360844 666861521 /nfs/dbraw/zinc/86/15/21/666861521.db2.gz WLKKQCXKKRICPX-SECBINFHSA-N -1 1 361.383 0.662 10 0 FCAEMM CC(C)(C)OC(=O)NCCOCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000735635373 667039145 /nfs/dbraw/zinc/03/91/45/667039145.db2.gz CKIZBJJAWMEOAT-UHFFFAOYSA-N -1 1 354.411 0.627 10 0 FCAEMM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)CCn1cccn1 ZINC000867462206 667085680 /nfs/dbraw/zinc/08/56/80/667085680.db2.gz ATHKYJXNZICPEA-CYBMUJFWSA-N -1 1 359.448 0.693 10 0 FCAEMM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1ccc(F)c(F)c1F ZINC000918987953 667148746 /nfs/dbraw/zinc/14/87/46/667148746.db2.gz INOSVDKFEPSVGA-SECBINFHSA-N -1 1 354.350 0.075 10 0 FCAEMM O=S(=O)([N-]CCO[C@H]1CCOC1)c1ncccc1Br ZINC000921881782 667531282 /nfs/dbraw/zinc/53/12/82/667531282.db2.gz VVCLKQCXZHBSDF-VIFPVBQESA-N -1 1 351.222 0.928 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)o1 ZINC000753743762 667564330 /nfs/dbraw/zinc/56/43/30/667564330.db2.gz RBJBJWIBHISCKG-WAYWQWQTSA-N -1 1 373.431 0.998 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCOCc1ccc(Cl)cc1 ZINC000754100963 667583177 /nfs/dbraw/zinc/58/31/77/667583177.db2.gz GYDNDCVAHULUDZ-UHFFFAOYSA-N -1 1 351.790 0.913 10 0 FCAEMM CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923255676 667819827 /nfs/dbraw/zinc/81/98/27/667819827.db2.gz PQDMXRHIMJZICG-IJLUTSLNSA-N -1 1 370.368 0.616 10 0 FCAEMM Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1S(C)(=O)=O ZINC000759788634 667821171 /nfs/dbraw/zinc/82/11/71/667821171.db2.gz IMUUPZOAPLRDKB-UHFFFAOYSA-N -1 1 351.384 0.277 10 0 FCAEMM Cn1[n-]c(COC(=O)c2c(N)cccc2I)nc1=O ZINC000765515510 668008670 /nfs/dbraw/zinc/00/86/70/668008670.db2.gz OVXXUOGWCOMTBX-UHFFFAOYSA-N -1 1 374.138 0.652 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)o1 ZINC000769072697 668114318 /nfs/dbraw/zinc/11/43/18/668114318.db2.gz MIYSISQGWLRPHN-UHFFFAOYSA-N -1 1 366.355 0.933 10 0 FCAEMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC000777608155 668332875 /nfs/dbraw/zinc/33/28/75/668332875.db2.gz CKYITVTXCVAVLF-UHFFFAOYSA-N -1 1 374.419 0.880 10 0 FCAEMM COCCCNC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785434 668725996 /nfs/dbraw/zinc/72/59/96/668725996.db2.gz IQANWRIHGRAGQK-GVXVVHGQSA-N -1 1 353.385 0.917 10 0 FCAEMM CC1(C)NC(=O)N(CC(=O)Nc2nc(Br)ccc2[O-])C1=O ZINC000790046480 668870947 /nfs/dbraw/zinc/87/09/47/668870947.db2.gz GKRXATZKNDPFAE-UHFFFAOYSA-N -1 1 357.164 0.819 10 0 FCAEMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCC1CS(=O)(=O)C1 ZINC000790642061 668879799 /nfs/dbraw/zinc/87/97/99/668879799.db2.gz AWXGOEGYYWKRQA-UHFFFAOYSA-N -1 1 353.443 0.711 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCOCC(N)=O)c(F)cc1Cl ZINC000795880546 669068430 /nfs/dbraw/zinc/06/84/30/669068430.db2.gz MAURIJRYJTUOTC-UHFFFAOYSA-N -1 1 368.770 0.046 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)OC)c(F)cc1Cl ZINC000795901881 669070675 /nfs/dbraw/zinc/07/06/75/669070675.db2.gz NWPCHNFMSOEUTF-VIFPVBQESA-N -1 1 369.754 0.078 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000867022177 669208762 /nfs/dbraw/zinc/20/87/62/669208762.db2.gz PESUHKWGLVZZIY-QKFKETGDSA-N -1 1 373.500 0.987 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807709005 669509607 /nfs/dbraw/zinc/50/96/07/669509607.db2.gz YWMRUYUEENLCJF-MMWGEVLESA-N -1 1 370.393 0.725 10 0 FCAEMM C[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)S(C)(=O)=O ZINC000807802554 669517229 /nfs/dbraw/zinc/51/72/29/669517229.db2.gz ZSPUWWXTQMMDCM-XKNYDFJKSA-N -1 1 358.382 0.724 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CC[C@@H](O)[C@@H](O)C1 ZINC000827590433 669581260 /nfs/dbraw/zinc/58/12/60/669581260.db2.gz BHENNXTVYDIUKN-MNOVXSKESA-N -1 1 363.151 0.565 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccnn1C ZINC000828127737 669618593 /nfs/dbraw/zinc/61/85/93/669618593.db2.gz WDAHCVDOYAPLEX-LBPRGKRZSA-N -1 1 358.807 0.802 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccnn1C ZINC000828133387 669619452 /nfs/dbraw/zinc/61/94/52/669619452.db2.gz YSRWVNWRJDLVSC-LBPRGKRZSA-N -1 1 358.807 0.970 10 0 FCAEMM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088205 669662670 /nfs/dbraw/zinc/66/26/70/669662670.db2.gz HFKZSBISRZPDGD-GARJFASQSA-N -1 1 358.382 0.884 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)O1 ZINC000831162687 669833146 /nfs/dbraw/zinc/83/31/46/669833146.db2.gz XAFVKLKFJNNPEQ-WDEREUQCSA-N -1 1 366.336 0.624 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831521570 669849646 /nfs/dbraw/zinc/84/96/46/669849646.db2.gz DRUAILRFTNPOHS-MRVPVSSYSA-N -1 1 356.857 0.156 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N(C)CC1CC1)C(=O)OCc1ccccc1 ZINC000814286829 669880055 /nfs/dbraw/zinc/88/00/55/669880055.db2.gz RDJDNKUOKIMOJA-WFASDCNBSA-N -1 1 356.444 0.655 10 0 FCAEMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1COC(=O)N1)C(F)(F)F ZINC000817677924 670026602 /nfs/dbraw/zinc/02/66/02/670026602.db2.gz ORMFDZAXSJJSSM-ZJUUUORDSA-N -1 1 357.288 0.731 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2CCCOCC2)c1C(F)(F)F ZINC000867155833 670026862 /nfs/dbraw/zinc/02/68/62/670026862.db2.gz GRGSZRPNMGSPLQ-UHFFFAOYSA-N -1 1 356.370 0.440 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000867196146 670064734 /nfs/dbraw/zinc/06/47/34/670064734.db2.gz RBRXTUHEGSQRHV-YTEVENLXSA-N -1 1 363.509 0.649 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)c1C(F)(F)F ZINC000867220083 670087380 /nfs/dbraw/zinc/08/73/80/670087380.db2.gz FXRUGZXVFINBMO-BDAKNGLRSA-N -1 1 357.354 0.362 10 0 FCAEMM COCC[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000867285276 670634114 /nfs/dbraw/zinc/63/41/14/670634114.db2.gz FSHZSAZOQVTXMX-ZETCQYMHSA-N -1 1 359.326 0.295 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCc3cnn(C)c3C2)CCC1 ZINC000843012951 670766235 /nfs/dbraw/zinc/76/62/35/670766235.db2.gz ADZISNPKNMBBGW-LBPRGKRZSA-N -1 1 354.476 0.455 10 0 FCAEMM C[C@H](NC(=O)CC(C)(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014484 670766586 /nfs/dbraw/zinc/76/65/86/670766586.db2.gz GXEDNEZYRWHWKU-LBPRGKRZSA-N -1 1 361.508 0.858 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2ccc([S@@](C)=O)cc2)CCC1 ZINC000843014795 670766829 /nfs/dbraw/zinc/76/68/29/670766829.db2.gz REALUSVTVHMBMJ-HSZRJFAPSA-N -1 1 372.512 0.897 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(C)nc2C(F)F)CCC1 ZINC000843016711 670767101 /nfs/dbraw/zinc/76/71/01/670767101.db2.gz SXHPOFSJONFXDV-UHFFFAOYSA-N -1 1 350.391 0.902 10 0 FCAEMM COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843017019 670767248 /nfs/dbraw/zinc/76/72/48/670767248.db2.gz YJMIBUDFSGOBLT-STQMWFEESA-N -1 1 360.476 0.896 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccc(-n3ccnn3)c2)CCC1 ZINC000843016694 670767514 /nfs/dbraw/zinc/76/75/14/670767514.db2.gz SGHDCIMWIKJCEF-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)CCC1 ZINC000843017383 670768093 /nfs/dbraw/zinc/76/80/93/670768093.db2.gz CIDLJEHONODQFO-UHFFFAOYSA-N -1 1 351.432 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(C)c2-n2cccc2)CCC1 ZINC000843019787 670769175 /nfs/dbraw/zinc/76/91/75/670769175.db2.gz WKOUELMZWZHZDE-UHFFFAOYSA-N -1 1 365.459 0.755 10 0 FCAEMM CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019496 670769311 /nfs/dbraw/zinc/76/93/11/670769311.db2.gz RPXYRAIGVHMQMZ-CYBMUJFWSA-N -1 1 359.492 0.564 10 0 FCAEMM CCO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844407015 670922633 /nfs/dbraw/zinc/92/26/33/670922633.db2.gz NNAXVDFCFOIWEJ-VXGBXAGGSA-N -1 1 355.439 0.470 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000845448620 671005469 /nfs/dbraw/zinc/00/54/69/671005469.db2.gz QUQKFQLOQSPOSU-MFDAYCCISA-N -1 1 364.368 0.737 10 0 FCAEMM COC1(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2)CCOCC1 ZINC000845793463 671038088 /nfs/dbraw/zinc/03/80/88/671038088.db2.gz HTZSWHVRTHUUJT-UHFFFAOYSA-N -1 1 357.428 0.845 10 0 FCAEMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000845975953 671059794 /nfs/dbraw/zinc/05/97/94/671059794.db2.gz ODCTYUWAYJJQOC-SSDOTTSWSA-N -1 1 368.770 0.701 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000848339003 671269981 /nfs/dbraw/zinc/26/99/81/671269981.db2.gz VGDGIEAULBHHAM-OPRDCNLKSA-N -1 1 371.381 0.078 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000848339002 671270199 /nfs/dbraw/zinc/27/01/99/671270199.db2.gz VGDGIEAULBHHAM-BBBLOLIVSA-N -1 1 371.381 0.078 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000848339645 671270481 /nfs/dbraw/zinc/27/04/81/671270481.db2.gz ABSALOWZKPFHKK-YUSALJHKSA-N -1 1 362.352 0.382 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)c1 ZINC000849420024 671340902 /nfs/dbraw/zinc/34/09/02/671340902.db2.gz MXIUOEURLJXDDB-OAQYLSRUSA-N -1 1 363.335 0.656 10 0 FCAEMM COC(=O)N(C)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000849470015 671350689 /nfs/dbraw/zinc/35/06/89/671350689.db2.gz FTDCHCRMBVYDCK-UHFFFAOYSA-N -1 1 352.210 0.821 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1 ZINC000851699348 671459727 /nfs/dbraw/zinc/45/97/27/671459727.db2.gz BNFUOXRKFIHNHH-JQWIXIFHSA-N -1 1 359.304 0.747 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000851800320 671468787 /nfs/dbraw/zinc/46/87/87/671468787.db2.gz YVMRPGSNSZCILL-SNVBAGLBSA-N -1 1 358.372 0.636 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(c3ncns3)CC2)cc1 ZINC000852126522 671488851 /nfs/dbraw/zinc/48/88/51/671488851.db2.gz CAZHYNDYDMRVDP-UHFFFAOYSA-N -1 1 361.427 0.625 10 0 FCAEMM CNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000852521934 671511711 /nfs/dbraw/zinc/51/17/11/671511711.db2.gz WJGSLOFWYQVLCQ-MWLCHTKSSA-N -1 1 367.368 0.586 10 0 FCAEMM COC(=O)CC1(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC000852733819 671520344 /nfs/dbraw/zinc/52/03/44/671520344.db2.gz ZTGLHOFNMXSMFK-KOLCDFICSA-N -1 1 366.336 0.926 10 0 FCAEMM CCc1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852734491 671520792 /nfs/dbraw/zinc/52/07/92/671520792.db2.gz BNXMTLJXZCRQEV-XCBNKYQSSA-N -1 1 350.297 0.728 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC000852958186 671533928 /nfs/dbraw/zinc/53/39/28/671533928.db2.gz FXCRWHSQZKLSFZ-ONGXEEELSA-N -1 1 363.292 0.648 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)[N-]OCC1CC1 ZINC000854640930 671591858 /nfs/dbraw/zinc/59/18/58/671591858.db2.gz ZHTHECLJVSHJMG-GFCCVEGCSA-N -1 1 374.459 0.726 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccn(C)c(=O)n1 ZINC000903198658 675919794 /nfs/dbraw/zinc/91/97/94/675919794.db2.gz OETCLQWVTSSPMW-ZDUSSCGKSA-N -1 1 355.391 0.919 10 0 FCAEMM C[C@H](O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC000855748764 671662892 /nfs/dbraw/zinc/66/28/92/671662892.db2.gz PYSPBFDUWQCNKC-IVZWLZJFSA-N -1 1 368.352 0.747 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@@H](O)C2CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856418400 671687785 /nfs/dbraw/zinc/68/77/85/671687785.db2.gz IEVHHCYGYVYAKE-USWWRNFRSA-N -1 1 352.353 0.689 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC[C@H]1COCCN1C ZINC000858837916 671779267 /nfs/dbraw/zinc/77/92/67/671779267.db2.gz VJPHOOIXWLUHSA-GRYCIOLGSA-N -1 1 366.384 0.558 10 0 FCAEMM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1sccc1Cl ZINC000903538527 675940414 /nfs/dbraw/zinc/94/04/14/675940414.db2.gz BZIVFMWQFWOAPX-QMMMGPOBSA-N -1 1 358.894 0.457 10 0 FCAEMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859187165 671798976 /nfs/dbraw/zinc/79/89/76/671798976.db2.gz XKIZOAYGOWERQZ-NKWVEPMBSA-N -1 1 355.185 0.675 10 0 FCAEMM O=C1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)nc2F)CN1 ZINC000859190330 671799177 /nfs/dbraw/zinc/79/91/77/671799177.db2.gz JTADIEAJPUFBRG-LURJTMIESA-N -1 1 352.185 0.398 10 0 FCAEMM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ccc(Br)nc1F ZINC000859207157 671800579 /nfs/dbraw/zinc/80/05/79/671800579.db2.gz UFKQGFWBBRFALY-LLVKDONJSA-N -1 1 369.212 0.803 10 0 FCAEMM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000863827967 672157262 /nfs/dbraw/zinc/15/72/62/672157262.db2.gz ODLKWGHAWVDMOR-SNVBAGLBSA-N -1 1 369.472 0.419 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCN2CCOCC2)c1C(F)(F)F ZINC000866378730 672269516 /nfs/dbraw/zinc/26/95/16/672269516.db2.gz APEZIDGVHDQEAD-UHFFFAOYSA-N -1 1 356.370 0.440 10 0 FCAEMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866557647 672282365 /nfs/dbraw/zinc/28/23/65/672282365.db2.gz PVQKQSGJTBOWMH-MRVPVSSYSA-N -1 1 354.354 0.728 10 0 FCAEMM COC(=O)N1CCC([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866593847 672283902 /nfs/dbraw/zinc/28/39/02/672283902.db2.gz PLSMXFPDWYBOOS-UHFFFAOYSA-N -1 1 370.353 0.948 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCN2CCOC2=O)c1C(F)(F)F ZINC000866728958 672293498 /nfs/dbraw/zinc/29/34/98/672293498.db2.gz LJAWOMQRLKOTHW-UHFFFAOYSA-N -1 1 356.326 0.560 10 0 FCAEMM C[C@@H]1COCCN1CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866736590 672294530 /nfs/dbraw/zinc/29/45/30/672294530.db2.gz ZHUWDBBBGXSSAP-MCMMXHMISA-N -1 1 361.489 0.698 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)c2nc[nH]c2Br)CCN1C1CCC1 ZINC000867569526 672339219 /nfs/dbraw/zinc/33/92/19/672339219.db2.gz NFDRKWJUYOXOJO-QMMMGPOBSA-N -1 1 363.237 0.604 10 0 FCAEMM CC(C)(C)OC(=O)COCC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867603373 672346209 /nfs/dbraw/zinc/34/62/09/672346209.db2.gz BEGKADIFZGTLOR-UHFFFAOYSA-N -1 1 352.359 0.996 10 0 FCAEMM CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCCOC1 ZINC000867660936 672353485 /nfs/dbraw/zinc/35/34/85/672353485.db2.gz AZZGLNCSMJIUTF-ZDUSSCGKSA-N -1 1 365.839 0.712 10 0 FCAEMM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2ccc(F)nc2F)CCCOC1 ZINC000867665200 672353673 /nfs/dbraw/zinc/35/36/73/672353673.db2.gz VTANNXHDMHDPOW-CQSZACIVSA-N -1 1 364.370 0.998 10 0 FCAEMM O=S(=O)([N-]C1CN(c2ccncn2)C1)c1ccc(Br)o1 ZINC000867687108 672354989 /nfs/dbraw/zinc/35/49/89/672354989.db2.gz YOWICLWNFMRCRM-UHFFFAOYSA-N -1 1 359.205 0.999 10 0 FCAEMM COC1(CS(=O)(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000867900199 672379988 /nfs/dbraw/zinc/37/99/88/672379988.db2.gz GCGHJHYPCFYRQB-UHFFFAOYSA-N -1 1 358.382 0.886 10 0 FCAEMM CN1CCOC[C@H]1CNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000868812083 672410739 /nfs/dbraw/zinc/41/07/39/672410739.db2.gz VAJYIZUYZAWHBM-MFKMUULPSA-N -1 1 352.357 0.170 10 0 FCAEMM CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869372684 672429730 /nfs/dbraw/zinc/42/97/30/672429730.db2.gz DYDXEALIYQBUOE-LLVKDONJSA-N -1 1 366.336 0.814 10 0 FCAEMM CCO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000870447804 672493086 /nfs/dbraw/zinc/49/30/86/672493086.db2.gz YYYJRJGTSMBDBM-KGLIPLIRSA-N -1 1 362.492 0.748 10 0 FCAEMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872482771 672624336 /nfs/dbraw/zinc/62/43/36/672624336.db2.gz ZSXQIBQZEOEVLY-XUSGNXJCSA-N -1 1 353.510 0.976 10 0 FCAEMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872482770 672624506 /nfs/dbraw/zinc/62/45/06/672624506.db2.gz ZSXQIBQZEOEVLY-QKVFXAPYSA-N -1 1 353.510 0.976 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000924871305 673767879 /nfs/dbraw/zinc/76/78/79/673767879.db2.gz VVGCLCCYEICUIJ-GHMZBOCLSA-N -1 1 350.400 0.859 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000926679098 673839898 /nfs/dbraw/zinc/83/98/98/673839898.db2.gz WPPUKWINMBPVCU-YAMSLAJTSA-N -1 1 365.352 0.643 10 0 FCAEMM CC1(C)O[C@@H]2C[C@@H](NC(=O)N3CC(C[N-]C(=O)C(F)(F)F)C3)C[C@@H]2O1 ZINC000927370217 673861102 /nfs/dbraw/zinc/86/11/02/673861102.db2.gz KVAYWLCULGIREB-RTCCRHLQSA-N -1 1 365.352 0.989 10 0 FCAEMM CS(=O)(=O)N1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927779508 673881090 /nfs/dbraw/zinc/88/10/90/673881090.db2.gz DJLLNFAVOKVSQF-UHFFFAOYSA-N -1 1 363.386 0.500 10 0 FCAEMM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927785981 673881412 /nfs/dbraw/zinc/88/14/12/673881412.db2.gz OSZODJRFJVEKDI-SNVBAGLBSA-N -1 1 363.386 0.546 10 0 FCAEMM O=C(NCCN1CCS(=O)(=O)CC1)c1c([O-])cnc2c(F)cccc21 ZINC000900369530 675676326 /nfs/dbraw/zinc/67/63/26/675676326.db2.gz SIBMQLDOIGAWEL-UHFFFAOYSA-N -1 1 367.402 0.540 10 0 FCAEMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000900627512 675701682 /nfs/dbraw/zinc/70/16/82/675701682.db2.gz ZBLDADAIRNMIPA-UWVGGRQHSA-N -1 1 350.345 0.666 10 0 FCAEMM CCCN(CCC)S(=O)(=O)[N-]c1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC000901747511 675811137 /nfs/dbraw/zinc/81/11/37/675811137.db2.gz HOLJTKGQSUGKBB-UHFFFAOYSA-N -1 1 358.468 0.687 10 0 FCAEMM O=C(C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC001625790904 1167850119 /nfs/dbraw/zinc/85/01/19/1167850119.db2.gz VGFMMELOYFLUKC-UKRRQHHQSA-N -1 1 367.423 0.770 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1C ZINC001719647475 1171876400 /nfs/dbraw/zinc/87/64/00/1171876400.db2.gz UYZFSMUIYYZYKI-AXFHLTTASA-N -1 1 366.418 0.908 10 0 FCAEMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001105128050 1183135476 /nfs/dbraw/zinc/13/54/76/1183135476.db2.gz QCRPGNQTAGLWAN-JHJVBQTASA-N -1 1 361.450 0.622 10 0 FCAEMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001625901721 1183272701 /nfs/dbraw/zinc/27/27/01/1183272701.db2.gz PNHCMUOXQDVNQM-MJBXVCDLSA-N -1 1 366.418 0.361 10 0 FCAEMM Cn1c2[nH]c(COC(=O)c3c([O-])cc(F)cc3F)nc2c(=O)n(C)c1=O ZINC000785257270 1183559032 /nfs/dbraw/zinc/55/90/32/1183559032.db2.gz YXWSCJAQIZJXRM-UHFFFAOYSA-N -1 1 366.280 0.301 10 0 FCAEMM Cc1nc(C2(NC(=O)CCn3cc[n-]c(=O)c3=O)CCCCCC2)no1 ZINC000729259704 1187700601 /nfs/dbraw/zinc/70/06/01/1187700601.db2.gz OOYAYVXJQFFXBQ-UHFFFAOYSA-N -1 1 361.402 0.984 10 0 FCAEMM CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762371472 1197995087 /nfs/dbraw/zinc/99/50/87/1197995087.db2.gz UQWITTZRUZTPMU-HNNXBMFYSA-N -1 1 366.425 0.804 10 0 FCAEMM CCOC(=O)[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742111612 1198147493 /nfs/dbraw/zinc/14/74/93/1198147493.db2.gz UXBLTOKFVGIOHE-AWEZNQCLSA-N -1 1 359.382 0.390 10 0 FCAEMM CN(C)c1nc(C(=O)OCCN2C(=O)COc3ccccc32)cc(=O)[n-]1 ZINC000786493199 1200840596 /nfs/dbraw/zinc/84/05/96/1200840596.db2.gz JQGJKHWKZCFVGB-UHFFFAOYSA-N -1 1 358.354 0.831 10 0 FCAEMM COC(=O)c1ccc(NC(=O)COC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000786496241 1200840782 /nfs/dbraw/zinc/84/07/82/1200840782.db2.gz HQPGRGYCIDAZOO-UHFFFAOYSA-N -1 1 374.353 0.830 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)c1cnn(CC(F)(F)F)c1 ZINC000786977264 1200859440 /nfs/dbraw/zinc/85/94/40/1200859440.db2.gz RGEKGHCKVUJHDK-UHFFFAOYSA-N -1 1 370.291 0.884 10 0 FCAEMM C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000790676497 1201100538 /nfs/dbraw/zinc/10/05/38/1201100538.db2.gz RXVSZDOINGYDTP-SFHVURJKSA-N -1 1 358.350 0.099 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492439 1202741840 /nfs/dbraw/zinc/74/18/40/1202741840.db2.gz GQHMCJSXZZDOIH-VXGBXAGGSA-N -1 1 361.402 0.916 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000747413536 1202848091 /nfs/dbraw/zinc/84/80/91/1202848091.db2.gz QXUBGBZMEBVMRK-UHFFFAOYSA-N -1 1 372.429 0.670 10 0 FCAEMM COc1ccc(F)c2[nH]c(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc21 ZINC000807993073 1202865830 /nfs/dbraw/zinc/86/58/30/1202865830.db2.gz XCELQPICHYOHTB-UHFFFAOYSA-N -1 1 360.349 0.953 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001175213827 1206301567 /nfs/dbraw/zinc/30/15/67/1206301567.db2.gz HGCIJLWJGXFJJK-RDTXWAMCSA-N -1 1 363.414 0.989 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000773470939 1206301959 /nfs/dbraw/zinc/30/19/59/1206301959.db2.gz XIQLEOHRDBSMGI-IBGZPJMESA-N -1 1 355.394 0.975 10 0 FCAEMM O=C(CNC(=O)C(=O)c1ccc([O-])cc1)NCC(=O)NCc1ccccc1 ZINC001177371936 1206336321 /nfs/dbraw/zinc/33/63/21/1206336321.db2.gz BASYZERWLIVYGO-UHFFFAOYSA-N -1 1 369.377 0.124 10 0 FCAEMM CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]2C[C@@H]21 ZINC001179739167 1206385081 /nfs/dbraw/zinc/38/50/81/1206385081.db2.gz GCXBFYLONDPSOM-NEPJUHHUSA-N -1 1 364.402 0.147 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CCc3nnn(C)c3C2)[n-]c1=O ZINC001180059263 1206388636 /nfs/dbraw/zinc/38/86/36/1206388636.db2.gz FNDTULQSISXCRH-PWSUYJOCSA-N -1 1 358.402 0.788 10 0 FCAEMM CCc1cnc(CN[C@@H]2CC[C@H](CNC(=O)Cn3c(=O)[n-][nH]c3=O)C2)o1 ZINC001488965512 1208588315 /nfs/dbraw/zinc/58/83/15/1208588315.db2.gz CDRJTLSEFMVEDM-WDEREUQCSA-N -1 1 364.406 0.314 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCCCO2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489294937 1208724916 /nfs/dbraw/zinc/72/49/16/1208724916.db2.gz XVQAFIJMNXSRCR-RDBSUJKOSA-N -1 1 351.451 0.537 10 0 FCAEMM CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001489442186 1208832116 /nfs/dbraw/zinc/83/21/16/1208832116.db2.gz DEHMEMVIHSCONX-RAIGVLPGSA-N -1 1 369.441 0.680 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)C=C(C)C)C1 ZINC001489892394 1209113529 /nfs/dbraw/zinc/11/35/29/1209113529.db2.gz HHFVXJQDTFCURG-WDEREUQCSA-N -1 1 364.402 0.877 10 0 FCAEMM CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001489953942 1209178719 /nfs/dbraw/zinc/17/87/19/1209178719.db2.gz MTJHHOYDOOVIDV-OLZOCXBDSA-N -1 1 350.419 0.080 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CNC(=O)C1CC1 ZINC001489993278 1209199946 /nfs/dbraw/zinc/19/99/46/1209199946.db2.gz AMAVFCZPODTDJC-QWHCGFSZSA-N -1 1 360.414 0.423 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001490321149 1209316728 /nfs/dbraw/zinc/31/67/28/1209316728.db2.gz PKIBMGWUDKPWML-CHWSQXEVSA-N -1 1 357.414 0.967 10 0 FCAEMM C[C@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@](C)(C(F)F)O1 ZINC000854000405 1209612853 /nfs/dbraw/zinc/61/28/53/1209612853.db2.gz WDKLYVKGRFQPBU-XXFAHNHDSA-N -1 1 367.356 0.551 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000854502910 1209631938 /nfs/dbraw/zinc/63/19/38/1209631938.db2.gz FIHBHRHGWNWEJV-UHFFFAOYSA-N -1 1 370.417 0.701 10 0 FCAEMM O=C(C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1ccc([O-])cc1 ZINC000856613976 1209718682 /nfs/dbraw/zinc/71/86/82/1209718682.db2.gz HWBLWUABOOEPNQ-GOEBONIOSA-N -1 1 353.378 0.952 10 0 FCAEMM CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000859278431 1209815144 /nfs/dbraw/zinc/81/51/44/1209815144.db2.gz QCCPATOZUHGKBT-MCIGGMRASA-N -1 1 366.422 0.745 10 0 FCAEMM O=C(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[N-]C(=O)c1ccccc1 ZINC000859918052 1209832588 /nfs/dbraw/zinc/83/25/88/1209832588.db2.gz ULYLDTZRBMUGBL-GNTLTTKYSA-N -1 1 359.334 0.207 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000860349399 1209845913 /nfs/dbraw/zinc/84/59/13/1209845913.db2.gz MPGPTVSVQFOWSF-TUAOUCFPSA-N -1 1 366.422 0.588 10 0 FCAEMM CCON(CC)C(=O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000862617526 1209915584 /nfs/dbraw/zinc/91/55/84/1209915584.db2.gz DVTKTUYWSCQAJZ-UHFFFAOYSA-N -1 1 373.413 0.599 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)nc2n1 ZINC001274693820 1211103607 /nfs/dbraw/zinc/10/36/07/1211103607.db2.gz SHPSSCHVHNKQGN-HWKANZROSA-N -1 1 366.337 0.709 10 0 FCAEMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001274760326 1211117601 /nfs/dbraw/zinc/11/76/01/1211117601.db2.gz LPVGNBLXPFXWGH-BPLDGKMQSA-N -1 1 359.430 0.925 10 0 FCAEMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001490830850 1211453840 /nfs/dbraw/zinc/45/38/40/1211453840.db2.gz SROFVQLBQHEFPD-MCIONIFRSA-N -1 1 374.441 0.811 10 0 FCAEMM CO[N-]C(=O)CNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000927217262 1211567430 /nfs/dbraw/zinc/56/74/30/1211567430.db2.gz ZRCLXVXLWZWNJB-UHFFFAOYSA-N -1 1 361.446 0.318 10 0 FCAEMM Cn1cnnc1N1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000927783645 1211581118 /nfs/dbraw/zinc/58/11/18/1211581118.db2.gz BKDPAHJUCGBKCZ-UHFFFAOYSA-N -1 1 366.372 0.873 10 0 FCAEMM O=C(NCCOC[C@H]1CCCO1)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929787328 1211660261 /nfs/dbraw/zinc/66/02/61/1211660261.db2.gz KDUDTBMQVIIJBW-GFCCVEGCSA-N -1 1 372.368 0.641 10 0 FCAEMM COC(=O)C1CC2(C1)CN(CC(=O)NCc1ccccc1)C[C@@H]2C(=O)[O-] ZINC000903412287 1218408879 /nfs/dbraw/zinc/40/88/79/1218408879.db2.gz VNOMNOXZODKXJV-XAUUPUKJSA-N -1 1 360.410 0.889 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000756684077 1220162576 /nfs/dbraw/zinc/16/25/76/1220162576.db2.gz BWRKXDYYYHNXCY-UHFFFAOYSA-N -1 1 359.338 0.246 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000781815419 1221103954 /nfs/dbraw/zinc/10/39/54/1221103954.db2.gz VIEICMWZTOSPMB-UHFFFAOYSA-N -1 1 372.360 0.022 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001116326056 1221353631 /nfs/dbraw/zinc/35/36/31/1221353631.db2.gz RPCZZYKCYHBRIV-CYBMUJFWSA-N -1 1 369.381 0.407 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCOC[C@@H]1C ZINC001116773776 1221389575 /nfs/dbraw/zinc/38/95/75/1221389575.db2.gz QMUFBROTSKHYKS-SWLSCSKDSA-N -1 1 364.446 0.801 10 0 FCAEMM COC(OC)[C@H](C)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001117721913 1221614772 /nfs/dbraw/zinc/61/47/72/1221614772.db2.gz BYMZVQDJQYKPQV-LBPRGKRZSA-N -1 1 368.434 0.383 10 0 FCAEMM CC(=O)N1CCN(C(=O)[C@H](C)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001118568491 1221801396 /nfs/dbraw/zinc/80/13/96/1221801396.db2.gz BWTITAQZDFBSPH-GUYCJALGSA-N -1 1 359.426 0.750 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)nc2n1 ZINC001118784859 1221829988 /nfs/dbraw/zinc/82/99/88/1221829988.db2.gz YQDPXPLYFMOVFV-LLVKDONJSA-N -1 1 367.369 0.108 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(Cc3nnnn3Cc3ccccc3)CC2)CCOC1 ZINC001118894571 1221841697 /nfs/dbraw/zinc/84/16/97/1221841697.db2.gz UJEJSWHWDNQINX-GOSISDBHSA-N -1 1 372.429 0.083 10 0 FCAEMM c1ccc(CCn2c(-c3nnn[n-]3)nnc2N2CCC3(COC3)C2)cc1 ZINC001122102954 1222240971 /nfs/dbraw/zinc/24/09/71/1222240971.db2.gz CVESXBOKYKUOGU-UHFFFAOYSA-N -1 1 352.402 0.928 10 0 FCAEMM c1ccc(CCn2c(-c3nn[n-]n3)nnc2N2CCC3(COC3)C2)cc1 ZINC001122102954 1222240976 /nfs/dbraw/zinc/24/09/76/1222240976.db2.gz CVESXBOKYKUOGU-UHFFFAOYSA-N -1 1 352.402 0.928 10 0 FCAEMM COc1cccc([C@@H]2CN(c3nnc(Cc4nnn[n-]4)n3C)CCO2)c1 ZINC001123263307 1222327338 /nfs/dbraw/zinc/32/73/38/1222327338.db2.gz BNOUIDLCDYCKEG-ZDUSSCGKSA-N -1 1 356.390 0.506 10 0 FCAEMM COc1cccc([C@@H]2CN(c3nnc(Cc4nn[n-]n4)n3C)CCO2)c1 ZINC001123263307 1222327341 /nfs/dbraw/zinc/32/73/41/1222327341.db2.gz BNOUIDLCDYCKEG-ZDUSSCGKSA-N -1 1 356.390 0.506 10 0 FCAEMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000831748825 1222506589 /nfs/dbraw/zinc/50/65/89/1222506589.db2.gz OQSPLJXAGDWQNH-CQSZACIVSA-N -1 1 370.335 0.874 10 0 FCAEMM Cn1nc(-c2cccnc2)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138991516 1222534572 /nfs/dbraw/zinc/53/45/72/1222534572.db2.gz PDBBKKQEDWJSHH-UHFFFAOYSA-N -1 1 354.374 0.119 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC001139570144 1222553511 /nfs/dbraw/zinc/55/35/11/1222553511.db2.gz NAMDUPUEOXFKEW-LLVKDONJSA-N -1 1 368.390 0.002 10 0 FCAEMM CN(CCCn1cnc2c1ncnc2N)C(=O)C(=O)c1ccc([O-])cc1 ZINC001142514481 1222832027 /nfs/dbraw/zinc/83/20/27/1222832027.db2.gz NRNOQRJCQUOJOL-UHFFFAOYSA-N -1 1 354.370 0.846 10 0 FCAEMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000940832683 1246394237 /nfs/dbraw/zinc/39/42/37/1246394237.db2.gz LZTJGYCNMGOSPN-KPHDYIETSA-N -1 1 357.410 0.885 10 0 FCAEMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001327831002 1265438007 /nfs/dbraw/zinc/43/80/07/1265438007.db2.gz UZZRWCQSIRQOBI-CYBMUJFWSA-N -1 1 367.446 0.069 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C[C@H]2CCOC2)C[C@@H]1F ZINC001516133204 1265537739 /nfs/dbraw/zinc/53/77/39/1265537739.db2.gz RIUSZBIMXJBYCL-UTUOFQBUSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C[C@H]2CCOC2)C[C@@H]1F ZINC001516133204 1265537744 /nfs/dbraw/zinc/53/77/44/1265537744.db2.gz RIUSZBIMXJBYCL-UTUOFQBUSA-N -1 1 350.402 0.603 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001329122422 1265697835 /nfs/dbraw/zinc/69/78/35/1265697835.db2.gz YSLTVKAOYMCZHI-NXRJPMIISA-N -1 1 365.474 0.837 10 0 FCAEMM CC(C)[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001521133680 1266090627 /nfs/dbraw/zinc/09/06/27/1266090627.db2.gz HMJINFDIQSZRFL-TUAOUCFPSA-N -1 1 360.418 0.429 10 0 FCAEMM CN1CCN(c2ccccc2CNC(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001331120121 1266151810 /nfs/dbraw/zinc/15/18/10/1266151810.db2.gz JYOXUHIINLCNAW-UHFFFAOYSA-N -1 1 366.425 0.704 10 0 FCAEMM Cn1[n-]c(CN2CCC(Cc3nc(C4CCOCC4)no3)CC2)nc1=O ZINC001331663836 1266261337 /nfs/dbraw/zinc/26/13/37/1266261337.db2.gz GEXNLPDQGDCZAW-UHFFFAOYSA-N -1 1 362.434 0.840 10 0 FCAEMM COC(=O)COCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001335752967 1259822777 /nfs/dbraw/zinc/82/27/77/1259822777.db2.gz BPXWDTGRMOGOSY-UHFFFAOYSA-N -1 1 356.806 0.879 10 0 FCAEMM Cc1cc(C)n2c(CN3CCN([C@]4(C(=O)[O-])CCOC4)CC3)cnc2n1 ZINC001261786297 1260189294 /nfs/dbraw/zinc/18/92/94/1260189294.db2.gz BDMPRHMTHKZRJF-GOSISDBHSA-N -1 1 359.430 0.707 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cc(C)cn2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264071688 1260363919 /nfs/dbraw/zinc/36/39/19/1260363919.db2.gz KZCJXYQFIZBYJJ-UONOGXRCSA-N -1 1 361.450 0.173 10 0 FCAEMM CN(C)Cc1ccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001332174222 1266349776 /nfs/dbraw/zinc/34/97/76/1266349776.db2.gz BIORUOJNKNYKDI-SFHVURJKSA-N -1 1 362.430 0.145 10 0 FCAEMM Cc1cc(N2CCC[C@H](NC(=O)CN3CCC[C@H](C(=O)[O-])C3)C2)n(C)n1 ZINC001332181972 1266351628 /nfs/dbraw/zinc/35/16/28/1266351628.db2.gz VRGWQTNYIYHNAB-GJZGRUSLSA-N -1 1 363.462 0.610 10 0 FCAEMM Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](O)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001278815659 1260737662 /nfs/dbraw/zinc/73/76/62/1260737662.db2.gz BEGRQKCQIIJZLR-QLFBSQMISA-N -1 1 359.430 0.531 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC1CC1 ZINC001522180730 1266402887 /nfs/dbraw/zinc/40/28/87/1266402887.db2.gz BNGNIVOADFOJSQ-ILXRZTDVSA-N -1 1 374.441 0.365 10 0 FCAEMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCNC1=O ZINC001282159663 1261360633 /nfs/dbraw/zinc/36/06/33/1261360633.db2.gz XCLKOEZNEOLWGW-IUUKEHGRSA-N -1 1 360.414 0.328 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCN=S(C)(C)=O)o1 ZINC001471983498 1261423058 /nfs/dbraw/zinc/42/30/58/1261423058.db2.gz XAOSPXMCSAHVMQ-UHFFFAOYSA-N -1 1 365.477 0.814 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC001472299573 1261458385 /nfs/dbraw/zinc/45/83/85/1261458385.db2.gz QWRQFSKZGLFVQP-UHFFFAOYSA-N -1 1 364.431 0.743 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)n1 ZINC001472498625 1261471862 /nfs/dbraw/zinc/47/18/62/1261471862.db2.gz PPKKRWQZPBZCTE-LLVKDONJSA-N -1 1 363.399 0.195 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)[n-]1 ZINC001472498625 1261471864 /nfs/dbraw/zinc/47/18/64/1261471864.db2.gz PPKKRWQZPBZCTE-LLVKDONJSA-N -1 1 363.399 0.195 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)n[n-]1 ZINC001472544651 1261474251 /nfs/dbraw/zinc/47/42/51/1261474251.db2.gz DKJKYPJLQSJZPF-SECBINFHSA-N -1 1 353.379 0.607 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)n1 ZINC001472544651 1261474252 /nfs/dbraw/zinc/47/42/52/1261474252.db2.gz DKJKYPJLQSJZPF-SECBINFHSA-N -1 1 353.379 0.607 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC=CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001285597089 1261857978 /nfs/dbraw/zinc/85/79/78/1261857978.db2.gz ZKADRVIYEJRXKP-KIQOLOJVSA-N -1 1 362.386 0.489 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CNC(=O)c4ccccc43)nc2n1 ZINC001287285907 1261950931 /nfs/dbraw/zinc/95/09/31/1261950931.db2.gz MWBNJVUROJSDLI-GFCCVEGCSA-N -1 1 352.354 0.446 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001288142594 1262007699 /nfs/dbraw/zinc/00/76/99/1262007699.db2.gz TUTAUQXCNQHEMU-IOASZLSFSA-N -1 1 365.430 0.494 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ncn(Cc2ccccc2)n1 ZINC001292058351 1262636985 /nfs/dbraw/zinc/63/69/85/1262636985.db2.gz HJHMGPKRWTUYGW-UHFFFAOYSA-N -1 1 352.354 0.796 10 0 FCAEMM CNC(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)CC1 ZINC001292080670 1262641962 /nfs/dbraw/zinc/64/19/62/1262641962.db2.gz XHFZPTKEODYCTL-UTUOFQBUSA-N -1 1 358.398 0.175 10 0 FCAEMM O=C(c1cc(N2CCOCC2)ncn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001296864224 1262841578 /nfs/dbraw/zinc/84/15/78/1262841578.db2.gz HKGFPPHSFHPHBY-NSHDSACASA-N -1 1 360.374 0.422 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001297416121 1262864577 /nfs/dbraw/zinc/86/45/77/1262864577.db2.gz DQJGMAJEZWSHCH-SDDRHHMPSA-N -1 1 358.402 0.088 10 0 FCAEMM CCC(CC)(NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001297489972 1262873178 /nfs/dbraw/zinc/87/31/78/1262873178.db2.gz YNIQCWDWASKUTL-UHFFFAOYSA-N -1 1 368.438 0.703 10 0 FCAEMM Cn1cc(N2C[C@@H](C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CCC2=O)cn1 ZINC001297779862 1262893278 /nfs/dbraw/zinc/89/32/78/1262893278.db2.gz GZUPFBWTNUKJGN-LBPRGKRZSA-N -1 1 374.401 0.658 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)n[n-]1 ZINC001300602040 1262992341 /nfs/dbraw/zinc/99/23/41/1262992341.db2.gz LCMVPBFBSQTTPM-BXKDBHETSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)[n-]1 ZINC001300602040 1262992350 /nfs/dbraw/zinc/99/23/50/1262992350.db2.gz LCMVPBFBSQTTPM-BXKDBHETSA-N -1 1 373.369 0.948 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 ZINC001300602040 1262992355 /nfs/dbraw/zinc/99/23/55/1262992355.db2.gz LCMVPBFBSQTTPM-BXKDBHETSA-N -1 1 373.369 0.948 10 0 FCAEMM COC(=O)c1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001301378181 1263004726 /nfs/dbraw/zinc/00/47/26/1263004726.db2.gz BYQHQQDHTRFZBK-UHFFFAOYSA-N -1 1 361.329 0.759 10 0 FCAEMM Cn1nc(-c2ccncc2)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302841549 1263061961 /nfs/dbraw/zinc/06/19/61/1263061961.db2.gz DKLUVVNYCMECSN-UHFFFAOYSA-N -1 1 366.381 0.980 10 0 FCAEMM Cc1c(C(=O)N(Cc2nn[n-]n2)CC(C)C)cnn1-c1ccc(=O)[nH]n1 ZINC001303199842 1263081295 /nfs/dbraw/zinc/08/12/95/1263081295.db2.gz RQBKXIVIWACGRG-UHFFFAOYSA-N -1 1 357.378 0.488 10 0 FCAEMM CC(=O)NC[C@H]1CCn2ncc(C(=O)N(Cc3nn[n-]n3)CC(C)C)c2C1 ZINC001303200924 1263085697 /nfs/dbraw/zinc/08/56/97/1263085697.db2.gz FKLXTPRDCIEEPN-ZDUSSCGKSA-N -1 1 374.449 0.393 10 0 FCAEMM CC(C)COC[C@H](O)CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155706 1263173060 /nfs/dbraw/zinc/17/30/60/1263173060.db2.gz CNMHWLOXLLUGQX-LLVKDONJSA-N -1 1 354.407 0.088 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCN(c2cnccn2)CC1 ZINC001479159239 1263173744 /nfs/dbraw/zinc/17/37/44/1263173744.db2.gz YDACHNSVIBYUOE-UHFFFAOYSA-N -1 1 371.401 0.077 10 0 FCAEMM O=C(NCc1nnc2n1CCNC2=O)NCc1ccc([O-])c(Cl)c1 ZINC001479190871 1263177232 /nfs/dbraw/zinc/17/72/32/1263177232.db2.gz HJPLXTBGLMARRG-UHFFFAOYSA-N -1 1 350.766 0.380 10 0 FCAEMM NS(=O)(=O)C[C@H]1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001479416430 1263191773 /nfs/dbraw/zinc/19/17/73/1263191773.db2.gz DYAXRCSRRVYSSU-VIFPVBQESA-N -1 1 363.386 0.533 10 0 FCAEMM CCC[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479503677 1263229556 /nfs/dbraw/zinc/22/95/56/1263229556.db2.gz RCDQZBILCLCWLB-KWCYVHTRSA-N -1 1 361.450 0.764 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001484540641 1263478343 /nfs/dbraw/zinc/47/83/43/1263478343.db2.gz XHDZVCMZFMTHRL-FPMFFAJLSA-N -1 1 359.434 0.376 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1 ZINC001487030679 1263573294 /nfs/dbraw/zinc/57/32/94/1263573294.db2.gz SNXKCRCSKABJRH-OCCSQVGLSA-N -1 1 363.414 0.296 10 0 FCAEMM COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001327159253 1265243242 /nfs/dbraw/zinc/24/32/42/1265243242.db2.gz IDQAHLYRDBBLCX-RFQIPJPRSA-N -1 1 369.462 0.075 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])cn2)CC1 ZINC001332932441 1266508768 /nfs/dbraw/zinc/50/87/68/1266508768.db2.gz NLYASSVSIFUKSX-BEFAXECRSA-N -1 1 373.457 0.982 10 0 FCAEMM CN1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC001333363369 1266586289 /nfs/dbraw/zinc/58/62/89/1266586289.db2.gz CCOQZRUVOYXYBO-RDTXWAMCSA-N -1 1 362.430 0.274 10 0 FCAEMM O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001525141453 1266742186 /nfs/dbraw/zinc/74/21/86/1266742186.db2.gz DDQUCLDRJTYZCB-UHFFFAOYSA-N -1 1 359.386 0.864 10 0 FCAEMM Cc1cc(-c2nc(C(=O)[N-]c3ncn(CC(=O)N(C)C)n3)co2)ccn1 ZINC001531253543 1267129316 /nfs/dbraw/zinc/12/93/16/1267129316.db2.gz ZENRYQVCNQAWFN-UHFFFAOYSA-N -1 1 355.358 0.977 10 0 FCAEMM CC[C@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)NC(=O)[C@@H]1C[C@H]1CC ZINC001531327032 1267132869 /nfs/dbraw/zinc/13/28/69/1267132869.db2.gz WLWHOJLFBWQQTK-OPRDCNLKSA-N -1 1 352.391 0.567 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)CN2C(=O)NC(C)(C)C2=O)[n-]c1Cl ZINC001538324529 1267400845 /nfs/dbraw/zinc/40/08/45/1267400845.db2.gz HSGCLWHSSDLCGT-UHFFFAOYSA-N -1 1 357.754 0.509 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCCc2nnnn2C)c(=O)[n-]1 ZINC001539988089 1267437857 /nfs/dbraw/zinc/43/78/57/1267437857.db2.gz DVIJAINXWINKIS-UHFFFAOYSA-N -1 1 351.436 0.418 10 0 FCAEMM COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnncc1[O-] ZINC001540626707 1267456539 /nfs/dbraw/zinc/45/65/39/1267456539.db2.gz VAWNABXSQLLJRC-UHFFFAOYSA-N -1 1 364.383 0.884 10 0 FCAEMM O=C(c1c[nH]c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1)c1ccccc1 ZINC001542946032 1267515097 /nfs/dbraw/zinc/51/50/97/1267515097.db2.gz DPVTVIKZXXSQJW-AWEZNQCLSA-N -1 1 352.354 0.973 10 0 FCAEMM CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCc1nn[n-]n1 ZINC001544025660 1267567033 /nfs/dbraw/zinc/56/70/33/1267567033.db2.gz HMQVSFOVKUKNTP-UHFFFAOYSA-N -1 1 366.447 0.526 10 0 FCAEMM COCCCS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001545601584 1267617777 /nfs/dbraw/zinc/61/77/77/1267617777.db2.gz INZVEYGNAFUCJY-UHFFFAOYSA-N -1 1 360.407 0.655 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(N)=O)c1 ZINC001546105617 1267634846 /nfs/dbraw/zinc/63/48/46/1267634846.db2.gz PRWGAOHHLKBMAV-JTQLQIEISA-N -1 1 357.432 0.873 10 0 FCAEMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ncccc1[O-] ZINC001580470672 1278354224 /nfs/dbraw/zinc/35/42/24/1278354224.db2.gz PROCFTAXSOHWPX-JHJVBQTASA-N -1 1 357.414 0.949 10 0 FCAEMM Cn1ncc(C(=O)[O-])c1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC001339151422 1268175849 /nfs/dbraw/zinc/17/58/49/1268175849.db2.gz KCPAXFNDLBDTQF-HNNXBMFYSA-N -1 1 371.441 0.664 10 0 FCAEMM C[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001340109440 1268438997 /nfs/dbraw/zinc/43/89/97/1268438997.db2.gz HAPLCQLQRIXZRD-QMMMGPOBSA-N -1 1 372.428 0.354 10 0 FCAEMM C[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001340109440 1268439002 /nfs/dbraw/zinc/43/90/02/1268439002.db2.gz HAPLCQLQRIXZRD-QMMMGPOBSA-N -1 1 372.428 0.354 10 0 FCAEMM O=C(CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(Cl)cn1 ZINC001556348402 1268847295 /nfs/dbraw/zinc/84/72/95/1268847295.db2.gz JUSQVGIYNKFWPJ-UHFFFAOYSA-N -1 1 364.793 0.721 10 0 FCAEMM O=C(NCc1ccc2cncn2c1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001556952936 1268908310 /nfs/dbraw/zinc/90/83/10/1268908310.db2.gz HTVSOKJUJFCAOD-UHFFFAOYSA-N -1 1 350.338 0.844 10 0 FCAEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncn(CC(=O)OCC)n2)c1 ZINC001557130750 1268928467 /nfs/dbraw/zinc/92/84/67/1268928467.db2.gz XBZAZBPGYSQCPV-UHFFFAOYSA-N -1 1 359.342 0.924 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C)c(C(=O)OC)o2)co1 ZINC001557861574 1268983862 /nfs/dbraw/zinc/98/38/62/1268983862.db2.gz PJLPZZUPPQYPHA-UHFFFAOYSA-N -1 1 356.356 0.806 10 0 FCAEMM Cn1ccn2c(CNC(=O)c3ncc4ccccc4c3[O-])nnc2c1=O ZINC001558153164 1269035776 /nfs/dbraw/zinc/03/57/76/1269035776.db2.gz UZBQHXUIOIQCKF-UHFFFAOYSA-N -1 1 350.338 0.612 10 0 FCAEMM C[C@@H](Sc1nc(CC(=O)NC2(c3nn[n-]n3)CCC2)cs1)C(N)=O ZINC001558173922 1269046023 /nfs/dbraw/zinc/04/60/23/1269046023.db2.gz ZXLLMPRBUOQQJN-SSDOTTSWSA-N -1 1 367.460 0.360 10 0 FCAEMM C[C@](CO)(NC(=O)CCc1nn[n-]n1)c1cccc(Br)c1 ZINC001558721008 1269133472 /nfs/dbraw/zinc/13/34/72/1269133472.db2.gz PNZWAOXIACTMPZ-CYBMUJFWSA-N -1 1 354.208 0.919 10 0 FCAEMM COC(=O)/C=C\[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001558833189 1269147044 /nfs/dbraw/zinc/14/70/44/1269147044.db2.gz AGVMDTNWNBXKNW-DOGVGXBMSA-N -1 1 356.382 0.917 10 0 FCAEMM c1ccc(Cn2c(Cc3nnn[n-]3)nnc2N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001342076299 1269333417 /nfs/dbraw/zinc/33/34/17/1269333417.db2.gz HYRLRPQACQBRQX-OKILXGFUSA-N -1 1 352.402 0.798 10 0 FCAEMM c1ccc(Cn2c(Cc3nn[n-]n3)nnc2N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001342076299 1269333429 /nfs/dbraw/zinc/33/34/29/1269333429.db2.gz HYRLRPQACQBRQX-OKILXGFUSA-N -1 1 352.402 0.798 10 0 FCAEMM O=C(NCc1nccc(C(F)F)n1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001564860188 1269439303 /nfs/dbraw/zinc/43/93/03/1269439303.db2.gz MKBOJEHZZOUOLM-UHFFFAOYSA-N -1 1 366.328 0.982 10 0 FCAEMM CN(C[C@H](O)Cc1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565246938 1269459472 /nfs/dbraw/zinc/45/94/72/1269459472.db2.gz ABALRMNQKUIFGB-CQSZACIVSA-N -1 1 372.425 1.000 10 0 FCAEMM Cc1nnc2n1CCN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)[C@H]2C ZINC001565248311 1269459644 /nfs/dbraw/zinc/45/96/44/1269459644.db2.gz QGGMZPIDTTWSCV-VIFPVBQESA-N -1 1 359.390 0.441 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614552 1269483408 /nfs/dbraw/zinc/48/34/08/1269483408.db2.gz RQQUNSVAESHXFB-CXLRFSCWSA-N -1 1 356.342 0.144 10 0 FCAEMM COCCN(C(=O)c1cc(C)cc(C=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC001565662132 1269487637 /nfs/dbraw/zinc/48/76/37/1269487637.db2.gz WFSLYBOMHJRUEN-ZDUSSCGKSA-N -1 1 355.412 0.789 10 0 FCAEMM CCC[C@@H](NC(=O)c1c[nH]nc1I)c1nn[n-]n1 ZINC001566227290 1269624354 /nfs/dbraw/zinc/62/43/54/1269624354.db2.gz UADZHDCXUDVYMW-ZCFIWIBFSA-N -1 1 361.147 0.799 10 0 FCAEMM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001567000673 1269672972 /nfs/dbraw/zinc/67/29/72/1269672972.db2.gz VCMDQAZBCIMMFG-GFCCVEGCSA-N -1 1 369.385 0.881 10 0 FCAEMM CCN1CC[C@H]1C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001567789425 1269708330 /nfs/dbraw/zinc/70/83/30/1269708330.db2.gz CQXCSPPYKFUNKF-NSHDSACASA-N -1 1 372.413 0.058 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@@H]1CCCO1 ZINC001343065788 1269753997 /nfs/dbraw/zinc/75/39/97/1269753997.db2.gz FUUPMJKKQZNUSS-TUAOUCFPSA-N -1 1 362.463 0.360 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@@H]1CCCO1 ZINC001343065788 1269754004 /nfs/dbraw/zinc/75/40/04/1269754004.db2.gz FUUPMJKKQZNUSS-TUAOUCFPSA-N -1 1 362.463 0.360 10 0 FCAEMM C(c1nnn[n-]1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@H]1CCCO1 ZINC001343065766 1269754227 /nfs/dbraw/zinc/75/42/27/1269754227.db2.gz FUUPMJKKQZNUSS-GRYCIOLGSA-N -1 1 362.463 0.360 10 0 FCAEMM C(c1nn[n-]n1)c1nnc(N2C[C@@H]3CSC[C@@H]3C2)n1C[C@H]1CCCO1 ZINC001343065766 1269754237 /nfs/dbraw/zinc/75/42/37/1269754237.db2.gz FUUPMJKKQZNUSS-GRYCIOLGSA-N -1 1 362.463 0.360 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001569789730 1269810408 /nfs/dbraw/zinc/81/04/08/1269810408.db2.gz AYJFEJCJXAHZFK-GTNSWQLSSA-N -1 1 363.345 0.837 10 0 FCAEMM Cn1[n-]c(CN2CCC[C@@](CO)(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nc1=O ZINC001569897263 1269816770 /nfs/dbraw/zinc/81/67/70/1269816770.db2.gz SLRJXZBAKPTOCO-SNUQEOBHSA-N -1 1 365.478 0.234 10 0 FCAEMM CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2cnncc2[O-])CC1 ZINC001570027466 1269832386 /nfs/dbraw/zinc/83/23/86/1269832386.db2.gz KAJQWMSQVHAUHB-LLVKDONJSA-N -1 1 356.448 0.704 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCNC(=O)CC1 ZINC001570479249 1269890019 /nfs/dbraw/zinc/89/00/19/1269890019.db2.gz RIZIHLBZGHJJIB-ZDUSSCGKSA-N -1 1 355.398 0.880 10 0 FCAEMM Cn1[n-]c(CN2CCC(CO)(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)nc1=O ZINC001570493776 1269896017 /nfs/dbraw/zinc/89/60/17/1269896017.db2.gz NTGQFAHXJCBJMG-CHWSQXEVSA-N -1 1 365.478 0.234 10 0 FCAEMM Cc1cc(C(=O)N2CCN(c3nnc(-c4noc(=O)[n-]4)n3C)CC2)c(C)o1 ZINC001344171844 1270108136 /nfs/dbraw/zinc/10/81/36/1270108136.db2.gz MUCGFXIOQFVGOR-UHFFFAOYSA-N -1 1 373.373 0.331 10 0 FCAEMM CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001572968470 1270425374 /nfs/dbraw/zinc/42/53/74/1270425374.db2.gz CQGLFJBAGBAATH-VHDGCEQUSA-N -1 1 365.430 0.804 10 0 FCAEMM C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001573033505 1270547673 /nfs/dbraw/zinc/54/76/73/1270547673.db2.gz VTMKSZZFYNORDB-XPKDYRNWSA-N -1 1 371.393 0.556 10 0 FCAEMM O=C(CCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001574421733 1271272167 /nfs/dbraw/zinc/27/21/67/1271272167.db2.gz QPXIRSWOSRMQHJ-BZPMIXESSA-N -1 1 370.413 0.470 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001714330064 1287320132 /nfs/dbraw/zinc/32/01/32/1287320132.db2.gz SZQXZHNIIWUXRA-OLZOCXBDSA-N -1 1 364.450 0.130 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)n[n-]1 ZINC001584176629 1282140933 /nfs/dbraw/zinc/14/09/33/1282140933.db2.gz RRLNVJDNXQWENB-NSHDSACASA-N -1 1 369.385 0.982 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)[n-]1 ZINC001584176629 1282140937 /nfs/dbraw/zinc/14/09/37/1282140937.db2.gz RRLNVJDNXQWENB-NSHDSACASA-N -1 1 369.385 0.982 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(-n3cnnc3)cc2)n1 ZINC001584176629 1282140943 /nfs/dbraw/zinc/14/09/43/1282140943.db2.gz RRLNVJDNXQWENB-NSHDSACASA-N -1 1 369.385 0.982 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC(OC[C@H]2CCCO2)CC1 ZINC001632259819 1282167737 /nfs/dbraw/zinc/16/77/37/1282167737.db2.gz KWMAXZJWSQZZMN-CQSZACIVSA-N -1 1 363.414 0.704 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CNC(=O)c2cccs2)n[n-]1 ZINC001632561547 1282186497 /nfs/dbraw/zinc/18/64/97/1282186497.db2.gz ARZMWVJMXHEAIW-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CNC(=O)c2cccs2)[n-]1 ZINC001632561547 1282186499 /nfs/dbraw/zinc/18/64/99/1282186499.db2.gz ARZMWVJMXHEAIW-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CNC(=O)c2cccs2)n1 ZINC001632561547 1282186503 /nfs/dbraw/zinc/18/65/03/1282186503.db2.gz ARZMWVJMXHEAIW-QMMMGPOBSA-N -1 1 351.388 0.650 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001632593554 1282189888 /nfs/dbraw/zinc/18/98/88/1282189888.db2.gz SJGHEZZBBMNGCT-SECBINFHSA-N -1 1 352.148 0.360 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NN2C(=O)[C@H](C)N(C)C2=O)c(=O)[n-]1 ZINC001585136968 1282204047 /nfs/dbraw/zinc/20/40/47/1282204047.db2.gz CNDHVRRCGPZGQE-QMMMGPOBSA-N -1 1 353.404 0.459 10 0 FCAEMM CSCC[C@H](NC(=O)Cc1c(Br)cnn1C)c1nn[n-]n1 ZINC001585196986 1282212570 /nfs/dbraw/zinc/21/25/70/1282212570.db2.gz NJUMOTZCYAWGOR-QMMMGPOBSA-N -1 1 374.268 0.849 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H](CO)c3nncn3C)c(=O)c2c(OC)c1 ZINC001585241678 1282216676 /nfs/dbraw/zinc/21/66/76/1282216676.db2.gz HQZQTWHABICLSC-GFCCVEGCSA-N -1 1 373.369 0.137 10 0 FCAEMM CCn1cc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(=O)[nH]c1=O ZINC001632992520 1282222509 /nfs/dbraw/zinc/22/25/09/1282222509.db2.gz CTSJLAGWGRGCOD-UHFFFAOYSA-N -1 1 372.385 0.193 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1nnc2ccc(Cl)cn21 ZINC001633502562 1282249232 /nfs/dbraw/zinc/24/92/32/1282249232.db2.gz XWCRFIGZDNRUAI-UHFFFAOYSA-N -1 1 360.761 0.530 10 0 FCAEMM O=C(CCCc1nn[n-]n1)NCCCCN1C(=O)c2ccccc2C1=O ZINC001586246738 1282285273 /nfs/dbraw/zinc/28/52/73/1282285273.db2.gz DCZAPSPWLXOKGK-UHFFFAOYSA-N -1 1 356.386 0.715 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC001634016920 1282293184 /nfs/dbraw/zinc/29/31/84/1282293184.db2.gz LKUPVWRHGUBHBS-CYBMUJFWSA-N -1 1 353.423 0.040 10 0 FCAEMM COc1cc2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)[nH]c2cc1OC ZINC001586805847 1282314114 /nfs/dbraw/zinc/31/41/14/1282314114.db2.gz OMCWFWDLFMZQNH-LBPRGKRZSA-N -1 1 358.358 0.912 10 0 FCAEMM COC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nn[n-]n1 ZINC001634622636 1282339512 /nfs/dbraw/zinc/33/95/12/1282339512.db2.gz WZRXMMMXKFNZIU-CYBMUJFWSA-N -1 1 367.431 0.428 10 0 FCAEMM COC[C@@H](NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001634621871 1282340644 /nfs/dbraw/zinc/34/06/44/1282340644.db2.gz KUNYZJIDOXYTBJ-SNVBAGLBSA-N -1 1 372.401 0.743 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3ccccc3Cn3ccnn3)nc2n1 ZINC001587188839 1282340722 /nfs/dbraw/zinc/34/07/22/1282340722.db2.gz YVGUYHXBNQPJOL-UHFFFAOYSA-N -1 1 364.369 0.872 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)/C=C/c3cncc(C(=O)NC)c3)nc2n1 ZINC001587188384 1282340775 /nfs/dbraw/zinc/34/07/75/1282340775.db2.gz RPVDRAPHVBABLE-SNAWJCMRSA-N -1 1 367.369 0.387 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3nc(COC)ncc3C2)o1 ZINC001587223916 1282342155 /nfs/dbraw/zinc/34/21/55/1282342155.db2.gz ZSHBXCBWDMAQKK-UHFFFAOYSA-N -1 1 366.399 0.323 10 0 FCAEMM CCC[C@@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001587597622 1282366875 /nfs/dbraw/zinc/36/68/75/1282366875.db2.gz JXCHOGOYSWKFGB-BDJLRTHQSA-N -1 1 368.438 0.919 10 0 FCAEMM CC1(c2ccc(CNC(=O)CCn3cc[n-]c(=O)c3=O)cc2)OCCO1 ZINC001635300970 1282393504 /nfs/dbraw/zinc/39/35/04/1282393504.db2.gz DWQYQWYCALWNQG-UHFFFAOYSA-N -1 1 359.382 0.463 10 0 FCAEMM C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588028048 1282398495 /nfs/dbraw/zinc/39/84/95/1282398495.db2.gz PQQKDJFBTIAALO-VXGBXAGGSA-N -1 1 351.403 0.845 10 0 FCAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001635665208 1282423087 /nfs/dbraw/zinc/42/30/87/1282423087.db2.gz APKISUTUMJLJGK-NSHDSACASA-N -1 1 363.395 0.225 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@]1(C2CCCC2)CCNC1=O ZINC001636327782 1282486474 /nfs/dbraw/zinc/48/64/74/1282486474.db2.gz XGDQLLPJBBKRJE-SFHVURJKSA-N -1 1 360.414 0.568 10 0 FCAEMM O=C(NCC1(O)CCS(=O)(=O)CC1)c1c([O-])cnc2c(F)cccc21 ZINC001636449324 1282503175 /nfs/dbraw/zinc/50/31/75/1282503175.db2.gz TWLNCZCFLPZGBH-UHFFFAOYSA-N -1 1 368.386 0.749 10 0 FCAEMM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001636449082 1282503818 /nfs/dbraw/zinc/50/38/18/1282503818.db2.gz YEOLLDVOVZLPEC-SECBINFHSA-N -1 1 353.375 0.973 10 0 FCAEMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001636459054 1282504832 /nfs/dbraw/zinc/50/48/32/1282504832.db2.gz WRBZSCGARNYYGZ-MRXNPFEDSA-N -1 1 368.438 0.401 10 0 FCAEMM O=C(Cc1nnc[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001637881351 1282630825 /nfs/dbraw/zinc/63/08/25/1282630825.db2.gz GALPABNRXYMKNY-UHFFFAOYSA-N -1 1 351.388 0.476 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCSC[C@H]1CCO ZINC001637891422 1282635388 /nfs/dbraw/zinc/63/53/88/1282635388.db2.gz VRRWFZASLFTECI-SNVBAGLBSA-N -1 1 354.432 0.264 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@]12CCOC2 ZINC001638287183 1282681062 /nfs/dbraw/zinc/68/10/62/1282681062.db2.gz WVLPUXMCHGCLSF-GOSISDBHSA-N -1 1 362.430 0.651 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC001638578037 1282706733 /nfs/dbraw/zinc/70/67/33/1282706733.db2.gz PLBBIWHMDNRFFT-UHFFFAOYSA-N -1 1 353.379 0.465 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001638578037 1282706744 /nfs/dbraw/zinc/70/67/44/1282706744.db2.gz PLBBIWHMDNRFFT-UHFFFAOYSA-N -1 1 353.379 0.465 10 0 FCAEMM CS(C)(=O)=NCC1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001638873526 1282731462 /nfs/dbraw/zinc/73/14/62/1282731462.db2.gz IIZPCKVVISAURD-UHFFFAOYSA-N -1 1 368.459 0.483 10 0 FCAEMM Cc1noc(C[C@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)n1 ZINC001639628634 1282798373 /nfs/dbraw/zinc/79/83/73/1282798373.db2.gz HJLIMJLLUSZDJY-GFCCVEGCSA-N -1 1 359.386 0.690 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cccn3c(=O)[nH]nc23)[n-]c1=O ZINC001640132568 1282841643 /nfs/dbraw/zinc/84/16/43/1282841643.db2.gz RCTFVINWCNWDTJ-SNVBAGLBSA-N -1 1 356.342 0.916 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CC(=O)NCC(F)(F)F)n[n-]1 ZINC001640225237 1282848527 /nfs/dbraw/zinc/84/85/27/1282848527.db2.gz ILENBHDEYKCKAF-ZCFIWIBFSA-N -1 1 351.285 0.227 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CC(=O)NCC(F)(F)F)[n-]1 ZINC001640225237 1282848533 /nfs/dbraw/zinc/84/85/33/1282848533.db2.gz ILENBHDEYKCKAF-ZCFIWIBFSA-N -1 1 351.285 0.227 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CC(=O)NCC(F)(F)F)n1 ZINC001640225237 1282848541 /nfs/dbraw/zinc/84/85/41/1282848541.db2.gz ILENBHDEYKCKAF-ZCFIWIBFSA-N -1 1 351.285 0.227 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001641602197 1282965089 /nfs/dbraw/zinc/96/50/89/1282965089.db2.gz RDUYQNMPHNSMGT-PTZVLDCSSA-N -1 1 363.381 0.873 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001680340578 1283418442 /nfs/dbraw/zinc/41/84/42/1283418442.db2.gz ISCOCNDFBFSCGR-JHJVBQTASA-N -1 1 364.446 0.867 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1NC(=O)CCC(F)F ZINC001682985108 1283823192 /nfs/dbraw/zinc/82/31/92/1283823192.db2.gz CRAXPQNEQHHWKQ-PSASIEDQSA-N -1 1 368.344 0.040 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC2(C)CC2)CCN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001702711640 1285810544 /nfs/dbraw/zinc/81/05/44/1285810544.db2.gz ALYARZTWQNOOMC-MNOVXSKESA-N -1 1 358.402 0.327 10 0 FCAEMM CC[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CCNC1=O ZINC001702926027 1286002479 /nfs/dbraw/zinc/00/24/79/1286002479.db2.gz MSEKQUBVRNOSCO-UXVJVKIESA-N -1 1 372.425 0.565 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)OC)o1 ZINC001594684347 1286232708 /nfs/dbraw/zinc/23/27/08/1286232708.db2.gz XBGIGQUATCUDCY-SECBINFHSA-N -1 1 373.412 0.158 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3coc(S(C)(=O)=O)c3)nc2n1 ZINC001595393072 1286246967 /nfs/dbraw/zinc/24/69/67/1286246967.db2.gz YXDMRVZWOROBFR-UHFFFAOYSA-N -1 1 351.344 0.229 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC001704414559 1286247324 /nfs/dbraw/zinc/24/73/24/1286247324.db2.gz DMHZGEXBYWHCJG-TZMCWYRMSA-N -1 1 362.430 0.080 10 0 FCAEMM Cc1cnc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC001595732055 1286261905 /nfs/dbraw/zinc/26/19/05/1286261905.db2.gz SLMRUMMMNYTPJN-CYBMUJFWSA-N -1 1 364.427 0.831 10 0 FCAEMM COC[C@@H](NC(=O)c1cccn2cc(C(F)(F)F)nc12)c1nn[n-]n1 ZINC001595889567 1286268406 /nfs/dbraw/zinc/26/84/06/1286268406.db2.gz RTHRFHDAVNPXBU-MRVPVSSYSA-N -1 1 355.280 0.984 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)o1 ZINC001596992782 1286324158 /nfs/dbraw/zinc/32/41/58/1286324158.db2.gz UTCKZTJGKCDNHR-LBPRGKRZSA-N -1 1 372.443 0.581 10 0 FCAEMM CCOc1cc(C(=O)NC[C@@H](O)CS(C)(=O)=O)cc(Cl)c1[O-] ZINC001598516208 1286395597 /nfs/dbraw/zinc/39/55/97/1286395597.db2.gz VAWNBSQITCNPLQ-SECBINFHSA-N -1 1 351.808 0.580 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)NC(N)=O)CCN1C(=O)c1ncccc1[O-] ZINC001719544366 1288174848 /nfs/dbraw/zinc/17/48/48/1288174848.db2.gz YNSAPSQQRFSPGA-GRYCIOLGSA-N -1 1 363.418 0.343 10 0 FCAEMM CCCS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001735824537 1288932814 /nfs/dbraw/zinc/93/28/14/1288932814.db2.gz UYMLZILURCJZKD-VXGBXAGGSA-N -1 1 369.443 0.189 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001737223750 1289519984 /nfs/dbraw/zinc/51/99/84/1289519984.db2.gz XWMFODUMRRVKAR-NXEZZACHSA-N -1 1 352.391 0.521 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1ncccc1[O-] ZINC001738147933 1289632583 /nfs/dbraw/zinc/63/25/83/1289632583.db2.gz FJJSGWAWAABLFD-WFGGJUAMSA-N -1 1 363.414 0.463 10 0 FCAEMM Nc1cc(Br)ccc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616142829 1289768337 /nfs/dbraw/zinc/76/83/37/1289768337.db2.gz WEISAUAYHQDEDK-SNVBAGLBSA-N -1 1 353.180 0.758 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001616254025 1289773394 /nfs/dbraw/zinc/77/33/94/1289773394.db2.gz GCWGETCXUHLHIO-AWEZNQCLSA-N -1 1 373.413 0.941 10 0 FCAEMM O=C(CC(F)(F)C(F)F)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001702169240 1289778659 /nfs/dbraw/zinc/77/86/59/1289778659.db2.gz FSWVCSBXYRZBQR-VXNVDRBHSA-N -1 1 365.283 0.379 10 0 FCAEMM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001617438346 1289841651 /nfs/dbraw/zinc/84/16/51/1289841651.db2.gz UBUKOBQUIOSGFO-FIQHERPVSA-N -1 1 355.416 0.837 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001617705415 1289858393 /nfs/dbraw/zinc/85/83/93/1289858393.db2.gz XYYMZPAYKYGYEB-ZJUUUORDSA-N -1 1 373.397 0.183 10 0 FCAEMM O=C(CCCn1cccc1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001739415362 1289941478 /nfs/dbraw/zinc/94/14/78/1289941478.db2.gz WBLBDPRNXGIAQE-UKRRQHHQSA-N -1 1 358.398 0.371 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001739608299 1290235637 /nfs/dbraw/zinc/23/56/37/1290235637.db2.gz FQFSTZRHSVGDLC-HONMWMINSA-N -1 1 362.430 0.797 10 0 FCAEMM COc1cc(OC)cc([C@@H](NC(=O)CCc2nn[n-]n2)c2nccn2C)c1 ZINC001623772309 1290237504 /nfs/dbraw/zinc/23/75/04/1290237504.db2.gz WKZDZVLPVNWGHG-MRXNPFEDSA-N -1 1 371.401 0.789 10 0 FCAEMM CC[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])NC(=O)OC(C)(C)C ZINC001624576228 1290281355 /nfs/dbraw/zinc/28/13/55/1290281355.db2.gz LEKHAHFJTWTFNQ-LLVKDONJSA-N -1 1 366.418 0.937 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC001624959430 1290310652 /nfs/dbraw/zinc/31/06/52/1290310652.db2.gz ZBWNERBWOFSDSF-GFCCVEGCSA-N -1 1 358.329 0.188 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC001625611559 1290354065 /nfs/dbraw/zinc/35/40/65/1290354065.db2.gz MQGLQECBEIHKNU-JDGPPOGSSA-N -1 1 359.415 0.284 10 0 FCAEMM C[C@@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)N1CSCCSC1 ZINC001626047053 1290371660 /nfs/dbraw/zinc/37/16/60/1290371660.db2.gz XJUGVHDKIBYPAF-JTQLQIEISA-N -1 1 358.493 0.095 10 0 FCAEMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cnc1Br ZINC001626046758 1290372295 /nfs/dbraw/zinc/37/22/95/1290372295.db2.gz MGYGRFJLGMBXFP-UHFFFAOYSA-N -1 1 367.207 0.789 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCCF)C1 ZINC001739896487 1290428031 /nfs/dbraw/zinc/42/80/31/1290428031.db2.gz FXUGVGWSWWVLEK-VHSXEESVSA-N -1 1 370.381 0.661 10 0 FCAEMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1(O)COC1 ZINC001627709490 1290479044 /nfs/dbraw/zinc/47/90/44/1290479044.db2.gz QBMXOFXSTWTZOJ-UHFFFAOYSA-N -1 1 362.407 0.865 10 0 FCAEMM COCCCn1ccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)n1 ZINC001628942334 1290563673 /nfs/dbraw/zinc/56/36/73/1290563673.db2.gz VZIWPVDJSKFDQZ-UHFFFAOYSA-N -1 1 358.358 0.752 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC001629091667 1290575722 /nfs/dbraw/zinc/57/57/22/1290575722.db2.gz HGKIGFWDKLSRSI-UHFFFAOYSA-N -1 1 350.404 0.307 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)C[C@H](O)COCCOC(C)C ZINC001629576945 1290610755 /nfs/dbraw/zinc/61/07/55/1290610755.db2.gz KAUZWLJXYWWLFH-NSHDSACASA-N -1 1 359.448 0.654 10 0 FCAEMM CNC(=O)NCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001630704846 1290689067 /nfs/dbraw/zinc/68/90/67/1290689067.db2.gz ZWHBZHRWQUWVQK-UHFFFAOYSA-N -1 1 358.402 0.530 10 0 FCAEMM COCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001631260983 1290723155 /nfs/dbraw/zinc/72/31/55/1290723155.db2.gz XBCKSYFANMBANM-LBPRGKRZSA-N -1 1 369.443 0.725 10 0 FCAEMM O=C(CCN1CCCC1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428293 1290729601 /nfs/dbraw/zinc/72/96/01/1290729601.db2.gz KAALQDJRSHHFCE-UHFFFAOYSA-N -1 1 367.427 0.784 10 0 FCAEMM COC1(OC)CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H]1O ZINC001643456040 1290894580 /nfs/dbraw/zinc/89/45/80/1290894580.db2.gz XKYIMUAFKTVFTI-ZDUSSCGKSA-N -1 1 364.402 0.177 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC001643819993 1290917805 /nfs/dbraw/zinc/91/78/05/1290917805.db2.gz APRUCTRZPKWTRU-UHFFFAOYSA-N -1 1 372.476 0.614 10 0 FCAEMM CC(C)n1ncc2cc(C=CC(=O)N3CC[C@@H](c4nn[n-]n4)C3)c(=O)[nH]c21 ZINC001644299986 1290953219 /nfs/dbraw/zinc/95/32/19/1290953219.db2.gz UQKDOAIRUBBOQP-AAOUONPWSA-N -1 1 368.401 0.848 10 0 FCAEMM CC(C)n1ncc2cc(C=CC(=O)N3CC[C@H](c4nn[n-]n4)C3)c(=O)[nH]c21 ZINC001644299988 1290953632 /nfs/dbraw/zinc/95/36/32/1290953632.db2.gz UQKDOAIRUBBOQP-PCAWENJQSA-N -1 1 368.401 0.848 10 0 FCAEMM NC(=O)[C@@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@H]1C(N)=O ZINC001647752362 1291071214 /nfs/dbraw/zinc/07/12/14/1291071214.db2.gz PJHKUVNGOILRMQ-NXEZZACHSA-N -1 1 365.773 0.171 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)c1 ZINC001647909266 1291084563 /nfs/dbraw/zinc/08/45/63/1291084563.db2.gz HBTZAEJTMAOYIO-GFCCVEGCSA-N -1 1 372.381 0.321 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cnc3ccnn3c2C(F)F)n[n-]1 ZINC001648503932 1291126311 /nfs/dbraw/zinc/12/63/11/1291126311.db2.gz BNJBNBRCMHVOOY-UHFFFAOYSA-N -1 1 357.302 0.441 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnc3ccnn3c2C(F)F)[n-]1 ZINC001648503932 1291126316 /nfs/dbraw/zinc/12/63/16/1291126316.db2.gz BNJBNBRCMHVOOY-UHFFFAOYSA-N -1 1 357.302 0.441 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCN1c1ncccn1 ZINC001650747911 1291178144 /nfs/dbraw/zinc/17/81/44/1291178144.db2.gz AVZTVFRMGDYMAT-ZDUSSCGKSA-N -1 1 356.386 0.330 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650858753 1291181207 /nfs/dbraw/zinc/18/12/07/1291181207.db2.gz SEFRXVFHWAPJJJ-OZYJXZHSSA-N -1 1 351.374 0.509 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688201 1291232861 /nfs/dbraw/zinc/23/28/61/1291232861.db2.gz LGIJGOCRNRNULX-JTQLQIEISA-N -1 1 363.374 0.184 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688201 1291232865 /nfs/dbraw/zinc/23/28/65/1291232865.db2.gz LGIJGOCRNRNULX-JTQLQIEISA-N -1 1 363.374 0.184 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001651688201 1291232872 /nfs/dbraw/zinc/23/28/72/1291232872.db2.gz LGIJGOCRNRNULX-JTQLQIEISA-N -1 1 363.374 0.184 10 0 FCAEMM COC[C@H](NC(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21)c1nn[n-]n1 ZINC001651846875 1291242973 /nfs/dbraw/zinc/24/29/73/1291242973.db2.gz PSXLABACUXGJPY-USZNOCQGSA-N -1 1 366.422 0.506 10 0 FCAEMM COC[C@@H](NC(=O)c1cnn(-c2ccccc2OC)c1C)c1nn[n-]n1 ZINC001651846788 1291243561 /nfs/dbraw/zinc/24/35/61/1291243561.db2.gz NDEVMHZJOHNDTR-GFCCVEGCSA-N -1 1 357.374 0.820 10 0 FCAEMM C[C@]1([C@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)COC(=O)N1 ZINC001652121811 1291262724 /nfs/dbraw/zinc/26/27/24/1291262724.db2.gz KIFQQRRFMCZONF-APPDUMDISA-N -1 1 362.386 0.254 10 0 FCAEMM O=C(CNS(=O)(=O)c1cccnc1)NCCc1c(F)cc([O-])cc1F ZINC001652545628 1291284899 /nfs/dbraw/zinc/28/48/99/1291284899.db2.gz JNTLBHPXVMXURR-UHFFFAOYSA-N -1 1 371.365 0.703 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H]2CCCS2(=O)=O)[n-]c1=O ZINC001653333958 1291335831 /nfs/dbraw/zinc/33/58/31/1291335831.db2.gz VBCGXTCDXHZDRJ-WDEREUQCSA-N -1 1 355.416 0.822 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001670825110 1292024072 /nfs/dbraw/zinc/02/40/72/1292024072.db2.gz WMRBRUJTOVTSQW-KGLIPLIRSA-N -1 1 359.430 0.576 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CCO)C1CCOCC1 ZINC001675456422 1292177242 /nfs/dbraw/zinc/17/72/42/1292177242.db2.gz GRFDZACWKUBBMX-ZDUSSCGKSA-N -1 1 366.418 0.232 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)c1cccc(F)c1 ZINC001684867689 1292347053 /nfs/dbraw/zinc/34/70/53/1292347053.db2.gz AVBVMADZSVCTDG-AWEZNQCLSA-N -1 1 362.361 0.927 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001684869793 1292348164 /nfs/dbraw/zinc/34/81/64/1292348164.db2.gz SXQAPUUKPJLPPE-QWHCGFSZSA-N -1 1 361.402 0.208 10 0 FCAEMM C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001685204804 1292450765 /nfs/dbraw/zinc/45/07/65/1292450765.db2.gz HOFSQKFEHDQKGB-ZLQFYDKZSA-N -1 1 350.375 0.582 10 0 FCAEMM COCCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001686146874 1292788163 /nfs/dbraw/zinc/78/81/63/1292788163.db2.gz IVJSWDPCRQJTOK-SYQHCUMBSA-N -1 1 363.414 0.700 10 0 FCAEMM COCC[C@@H](COC)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000383292174 836052037 /nfs/dbraw/zinc/05/20/37/836052037.db2.gz AKPPIMLSLNWKIB-VIFPVBQESA-N -1 1 370.269 0.821 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000750240488 836412634 /nfs/dbraw/zinc/41/26/34/836412634.db2.gz XNDXQKCJIUVUHI-CQSZACIVSA-N -1 1 373.435 0.794 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000750240488 836412639 /nfs/dbraw/zinc/41/26/39/836412639.db2.gz XNDXQKCJIUVUHI-CQSZACIVSA-N -1 1 373.435 0.794 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001119038105 847691176 /nfs/dbraw/zinc/69/11/76/847691176.db2.gz UNAPBOMMXBMIGC-GFCCVEGCSA-N -1 1 371.381 0.274 10 0 FCAEMM CN1CCN(c2cc(C(=O)NC[C@@H]3[C@H](C(=O)[O-])C3(F)F)ccn2)CC1 ZINC001119586163 847900877 /nfs/dbraw/zinc/90/08/77/847900877.db2.gz YWZVOVKQTBZGBF-DGCLKSJQSA-N -1 1 354.357 0.529 10 0 FCAEMM CC[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)CCS1 ZINC001123122061 848570645 /nfs/dbraw/zinc/57/06/45/848570645.db2.gz GUMYWDFQXKHMIV-WDEREUQCSA-N -1 1 350.452 0.827 10 0 FCAEMM CC[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)CCS1 ZINC001123122061 848570651 /nfs/dbraw/zinc/57/06/51/848570651.db2.gz GUMYWDFQXKHMIV-WDEREUQCSA-N -1 1 350.452 0.827 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(=O)[n-]1 ZINC001132988305 849145965 /nfs/dbraw/zinc/14/59/65/849145965.db2.gz UOGSSUWULIASLB-MGCOHNPYSA-N -1 1 359.473 0.837 10 0 FCAEMM CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001137774663 849284280 /nfs/dbraw/zinc/28/42/80/849284280.db2.gz DWHFERAOBDXJON-QMTHXVAHSA-N -1 1 358.416 0.810 10 0 FCAEMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001137954367 849292303 /nfs/dbraw/zinc/29/23/03/849292303.db2.gz HRIPILLAYQDWEM-UHFFFAOYSA-N -1 1 369.472 0.562 10 0 FCAEMM COc1cccc(C(F)(F)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001138992246 849324216 /nfs/dbraw/zinc/32/42/16/849324216.db2.gz ZNECSPXWKUIDGE-UHFFFAOYSA-N -1 1 353.329 0.810 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCc2nn[n-]n2)CCOCC1 ZINC001143974800 849505595 /nfs/dbraw/zinc/50/55/95/849505595.db2.gz ZFXWHPLDBHRCRE-SNVBAGLBSA-N -1 1 354.411 0.526 10 0 FCAEMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146750866 849565248 /nfs/dbraw/zinc/56/52/48/849565248.db2.gz YGIVIHULNZMACE-PWSUYJOCSA-N -1 1 354.359 0.621 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001164330794 850407773 /nfs/dbraw/zinc/40/77/73/850407773.db2.gz RVNZHNRRBOICBW-MRVPVSSYSA-N -1 1 358.383 0.849 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1nn[n-]n1 ZINC001167444497 850543717 /nfs/dbraw/zinc/54/37/17/850543717.db2.gz HNJJQCGKXKZXPH-BIIVOSGPSA-N -1 1 366.369 0.567 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001175214515 850756377 /nfs/dbraw/zinc/75/63/77/850756377.db2.gz OZEVIWPEUKEVIE-RTCCRHLQSA-N -1 1 367.427 0.227 10 0 FCAEMM O=C(CCc1nnc(C(F)F)o1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175215053 850756813 /nfs/dbraw/zinc/75/68/13/850756813.db2.gz WGBQWGSAXIRQLS-UHFFFAOYSA-N -1 1 355.301 0.825 10 0 FCAEMM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001176029858 850780006 /nfs/dbraw/zinc/78/00/06/850780006.db2.gz VTRVLAVEYFDYTO-SMDDNHRTSA-N -1 1 351.403 0.845 10 0 FCAEMM CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCC2)ccc1F ZINC001176727052 850800506 /nfs/dbraw/zinc/80/05/06/850800506.db2.gz XGWQPOXJXYIYPO-UHFFFAOYSA-N -1 1 368.394 0.398 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1nccn2c(Br)cnc12 ZINC001176726420 850800519 /nfs/dbraw/zinc/80/05/19/850800519.db2.gz PTXOWYZPSQCAEU-UHFFFAOYSA-N -1 1 363.179 0.814 10 0 FCAEMM COCCN1C[C@H](C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)CC1=O ZINC001178681564 850916713 /nfs/dbraw/zinc/91/67/13/850916713.db2.gz BBIAWTCFORWDAW-SNVBAGLBSA-N -1 1 352.391 0.037 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@@H](OC)C(=O)OC(C)(C)C)[n-]c1=O ZINC001178686800 850917302 /nfs/dbraw/zinc/91/73/02/850917302.db2.gz KWFQTCZCDNACDN-SNVBAGLBSA-N -1 1 355.391 0.899 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CCCCS2(=O)=O)[n-]c1=O ZINC001180059815 851011734 /nfs/dbraw/zinc/01/17/34/851011734.db2.gz JWFFCJYLHRXNDP-CMPLNLGQSA-N -1 1 355.416 0.822 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NC[C@]2(OCCO)CCOC2)c(=O)[n-]1 ZINC001261750768 858656893 /nfs/dbraw/zinc/65/68/93/858656893.db2.gz IDBHPTLWSANNCK-MRXNPFEDSA-N -1 1 371.459 0.429 10 0 FCAEMM CSC[C@H]1CCCN1c1nnc(-c2nnn[n-]2)n1C[C@H]1CCOC1 ZINC001263573547 859179508 /nfs/dbraw/zinc/17/95/08/859179508.db2.gz MSRTYPJCVKWANR-GHMZBOCLSA-N -1 1 350.452 0.827 10 0 FCAEMM CSC[C@H]1CCCN1c1nnc(-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001263573547 859179512 /nfs/dbraw/zinc/17/95/12/859179512.db2.gz MSRTYPJCVKWANR-GHMZBOCLSA-N -1 1 350.452 0.827 10 0 FCAEMM COC(=O)N[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC001288761271 864802738 /nfs/dbraw/zinc/80/27/38/864802738.db2.gz IYULOSPZQLELOG-JTQLQIEISA-N -1 1 373.431 0.927 10 0 FCAEMM O=C(COCC(F)F)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001289828646 865292363 /nfs/dbraw/zinc/29/23/63/865292363.db2.gz GXARQFPAYPWAPA-GHMZBOCLSA-N -1 1 355.341 0.742 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001290861588 865533970 /nfs/dbraw/zinc/53/39/70/865533970.db2.gz WLAQRNNAUFGPGY-SECBINFHSA-N -1 1 360.461 0.181 10 0 FCAEMM CC(C)(C)OC(=O)NC/C=C/CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001295575307 865907053 /nfs/dbraw/zinc/90/70/53/865907053.db2.gz HZKNPFZOTNQSSO-SNAWJCMRSA-N -1 1 352.391 0.124 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H](CO)CC1CCOCC1 ZINC001297175809 866012099 /nfs/dbraw/zinc/01/20/99/866012099.db2.gz LPCXAKSUMQKEHW-ZDUSSCGKSA-N -1 1 351.403 0.058 10 0 FCAEMM CSc1ncc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(=O)[n-]1 ZINC001297721466 866052653 /nfs/dbraw/zinc/05/26/53/866052653.db2.gz DJIFJJYQKVVNPZ-GLEZIHRCSA-N -1 1 365.415 0.497 10 0 FCAEMM CSCC[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1nn[n-]n1 ZINC001301158241 866252215 /nfs/dbraw/zinc/25/22/15/866252215.db2.gz GQSUGAGKMQCHTR-NSHDSACASA-N -1 1 359.415 0.520 10 0 FCAEMM O=C([N-]CC1CN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1)C(F)(F)F ZINC001302890013 866363338 /nfs/dbraw/zinc/36/33/38/866363338.db2.gz LGPCRNRGGMOQNC-SECBINFHSA-N -1 1 361.324 0.065 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001349841287 866459041 /nfs/dbraw/zinc/45/90/41/866459041.db2.gz TZRGAKNVNKSHGI-MHDGFBEUSA-N -1 1 351.447 0.591 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)c2cn3c(n2)COCC3)C1)C(F)(F)F ZINC001351557300 866901345 /nfs/dbraw/zinc/90/13/45/866901345.db2.gz FSZCRYXMDWDGOZ-JTQLQIEISA-N -1 1 360.336 0.944 10 0 FCAEMM CCc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)c1C ZINC001351678469 866939800 /nfs/dbraw/zinc/93/98/00/866939800.db2.gz ABODKAIUGPORDS-BXKDBHETSA-N -1 1 364.493 0.740 10 0 FCAEMM CN1CCn2nc(C(=O)[N-]c3nnc(C(C)(C)C)s3)cc2S1(=O)=O ZINC001356563247 868026193 /nfs/dbraw/zinc/02/61/93/868026193.db2.gz DAJZNBHLXHZEFC-UHFFFAOYSA-N -1 1 370.460 0.919 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC001321455238 868479355 /nfs/dbraw/zinc/47/93/55/868479355.db2.gz VLBSITPONKPGCK-UHFFFAOYSA-N -1 1 365.411 0.309 10 0 FCAEMM COc1ccc(NC(=O)[C@@H]2CCNC(=O)CC2)cc1[N-]S(C)(=O)=O ZINC001324258761 869523687 /nfs/dbraw/zinc/52/36/87/869523687.db2.gz PSHVFHYYYNVJEP-JTQLQIEISA-N -1 1 355.416 0.922 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001328043133 871195419 /nfs/dbraw/zinc/19/54/19/871195419.db2.gz FPEQCPNOIPYXSQ-WDEREUQCSA-N -1 1 354.407 0.345 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(S(C)(=O)=O)ccc3C)nc2n1 ZINC001347462536 872346578 /nfs/dbraw/zinc/34/65/78/872346578.db2.gz XHENAWBFZSYBJB-UHFFFAOYSA-N -1 1 361.383 0.690 10 0 FCAEMM CCN1C[C@@H](S(=O)(=O)[N-][C@](C)(C(=O)OC)c2ccccc2)CC1=O ZINC001330368580 872597064 /nfs/dbraw/zinc/59/70/64/872597064.db2.gz XTGXMGJVEBBJEA-BBRMVZONSA-N -1 1 354.428 0.615 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@H](C(N)=O)c2ccccn2)CCOCC1 ZINC001331569330 873148764 /nfs/dbraw/zinc/14/87/64/873148764.db2.gz FDPISARLLSQXLZ-ZDUSSCGKSA-N -1 1 357.432 0.113 10 0 FCAEMM CC(C)(F)CNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001332013152 873334345 /nfs/dbraw/zinc/33/43/45/873334345.db2.gz MXEICGFMUVYZFV-UHFFFAOYSA-N -1 1 355.332 0.768 10 0 FCAEMM C[C@@H](CN1CCOCC1)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC001332186438 873402762 /nfs/dbraw/zinc/40/27/62/873402762.db2.gz DKYHJGMENPOSBA-UWVGGRQHSA-N -1 1 358.382 0.820 10 0 FCAEMM O=C([N-]CC1CN(C(=O)NCCOC2CCOCC2)C1)C(F)(F)F ZINC001332914024 873712821 /nfs/dbraw/zinc/71/28/21/873712821.db2.gz YJSQBFZRVARVAO-UHFFFAOYSA-N -1 1 353.341 0.502 10 0 FCAEMM COC(=O)[C@@H](F)C(NCC1CCCCC1)=C1C(=O)[N-]C(=S)NC1=O ZINC000292986791 214137224 /nfs/dbraw/zinc/13/72/24/214137224.db2.gz IHUPHDQHCUWLEL-JTQLQIEISA-N -1 1 357.407 0.452 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCSC1 ZINC000293223502 214155970 /nfs/dbraw/zinc/15/59/70/214155970.db2.gz VPBHNKVHPZDREO-JTQLQIEISA-N -1 1 373.378 0.766 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000293777456 214199864 /nfs/dbraw/zinc/19/98/64/214199864.db2.gz AUMHSKSSXGPIJX-JTQLQIEISA-N -1 1 365.340 0.512 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)CCc2scnc2C)CCSC1 ZINC000295238118 214286485 /nfs/dbraw/zinc/28/64/85/214286485.db2.gz XTLVYPULHIZRMV-GFCCVEGCSA-N -1 1 350.487 0.962 10 0 FCAEMM CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000265281904 210086798 /nfs/dbraw/zinc/08/67/98/210086798.db2.gz ZJOSVKYRZGLTIK-GFCCVEGCSA-N -1 1 363.443 0.567 10 0 FCAEMM O=C(NCCO[C@@H]1CC1(F)F)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930974735 674083641 /nfs/dbraw/zinc/08/36/41/674083641.db2.gz CCHVKFCNVBOULI-GFCCVEGCSA-N -1 1 364.295 0.870 10 0 FCAEMM CCC[C@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1nn[n-]n1 ZINC000364425150 215675784 /nfs/dbraw/zinc/67/57/84/215675784.db2.gz FSCHTEZBRCXJDQ-NSHDSACASA-N -1 1 363.422 0.754 10 0 FCAEMM COc1cccc(C(=O)NCC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000283014826 212894712 /nfs/dbraw/zinc/89/47/12/212894712.db2.gz WSSFXTYXOZIJSE-LBPRGKRZSA-N -1 1 359.386 0.243 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366745085 216025575 /nfs/dbraw/zinc/02/55/75/216025575.db2.gz QYTJKNFOZRCRFO-JTQLQIEISA-N -1 1 355.358 0.021 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)o1 ZINC000366809853 216036084 /nfs/dbraw/zinc/03/60/84/216036084.db2.gz UWIJJNOBAHGPTM-SDDRHHMPSA-N -1 1 358.416 0.596 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)co1 ZINC000277809089 212399548 /nfs/dbraw/zinc/39/95/48/212399548.db2.gz GXMJYLAWEDLTOE-LDYMZIIASA-N -1 1 370.349 0.963 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(c3cc(C)[nH]n3)CC2)cc1 ZINC000187219916 209208704 /nfs/dbraw/zinc/20/87/04/209208704.db2.gz JRWJSURVUBLIED-UHFFFAOYSA-N -1 1 357.414 0.805 10 0 FCAEMM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC[S@@]1=O ZINC000186749804 209195974 /nfs/dbraw/zinc/19/59/74/209195974.db2.gz GXTAQBFFCPARCR-QFIPXVFZSA-N -1 1 362.473 0.951 10 0 FCAEMM COC(=O)c1ccc(CS(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275290052 212002003 /nfs/dbraw/zinc/00/20/03/212002003.db2.gz MATKPFOIAHLDOR-UHFFFAOYSA-N -1 1 370.427 0.395 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@]2(CCOC2)O1 ZINC000373692581 217047153 /nfs/dbraw/zinc/04/71/53/217047153.db2.gz CVIUBEHORYDERW-DOMZBBRYSA-N -1 1 358.416 0.598 10 0 FCAEMM Cc1ccc(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000374806919 217177385 /nfs/dbraw/zinc/17/73/85/217177385.db2.gz NZIDMZAXYZAGFW-CQSZACIVSA-N -1 1 355.460 0.722 10 0 FCAEMM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000375896137 217332463 /nfs/dbraw/zinc/33/24/63/217332463.db2.gz UAHPSTKWOSWGQN-LLVKDONJSA-N -1 1 364.427 0.419 10 0 FCAEMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1-n1cnnn1 ZINC000181089128 209107805 /nfs/dbraw/zinc/10/78/05/209107805.db2.gz ZBCAKWWEKWHRLI-UHFFFAOYSA-N -1 1 371.382 0.941 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000425326199 247325525 /nfs/dbraw/zinc/32/55/25/247325525.db2.gz TZIIFUNULGNWNJ-UHFFFAOYSA-N -1 1 360.370 0.920 10 0 FCAEMM O=C(N=c1nc(-c2ccccc2)[n-]s1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425824581 247396646 /nfs/dbraw/zinc/39/66/46/247396646.db2.gz YXANKILARQUYSF-NSHDSACASA-N -1 1 369.410 0.700 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1nnc(C2CCC2)n1C ZINC000438896405 248101610 /nfs/dbraw/zinc/10/16/10/248101610.db2.gz RHSNMUGLFYMTBY-UHFFFAOYSA-N -1 1 368.419 0.461 10 0 FCAEMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000442755398 248295972 /nfs/dbraw/zinc/29/59/72/248295972.db2.gz XXTZLFPZGPMAQW-JTQLQIEISA-N -1 1 350.322 0.846 10 0 FCAEMM O=C(CN1CC(=O)NC1=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444369997 248357422 /nfs/dbraw/zinc/35/74/22/248357422.db2.gz WWBVDVAAHDIFBJ-UHFFFAOYSA-N -1 1 374.397 0.945 10 0 FCAEMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000456800387 249543455 /nfs/dbraw/zinc/54/34/55/249543455.db2.gz OALCBHQQVSZZDD-WDEREUQCSA-N -1 1 357.432 0.694 10 0 FCAEMM COc1n[nH]c([N-]C(=O)c2sccc2S(=O)(=O)N2CCOCC2)n1 ZINC000271235693 211361897 /nfs/dbraw/zinc/36/18/97/211361897.db2.gz CDVUWASRWDCAMC-UHFFFAOYSA-N -1 1 373.416 0.148 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)o1 ZINC000470040019 250022700 /nfs/dbraw/zinc/02/27/00/250022700.db2.gz YZHKZEIDVODHEB-MRXNPFEDSA-N -1 1 372.443 0.988 10 0 FCAEMM CS(=O)(=O)N1CCCc2cc(C(=O)NC3(c4nn[n-]n4)CC3)ccc21 ZINC000470976822 250083252 /nfs/dbraw/zinc/08/32/52/250083252.db2.gz RJGIRVUFKFABCF-UHFFFAOYSA-N -1 1 362.415 0.331 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccnn1C)c1ccc(OC)cc1OC ZINC000472617418 250167874 /nfs/dbraw/zinc/16/78/74/250167874.db2.gz RICHJNRZWFJERR-CQSZACIVSA-N -1 1 369.399 0.630 10 0 FCAEMM COCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472638297 250169434 /nfs/dbraw/zinc/16/94/34/250169434.db2.gz KVVPKNZQFCQWNT-AWEZNQCLSA-N -1 1 361.416 0.874 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000473510094 250234005 /nfs/dbraw/zinc/23/40/05/250234005.db2.gz SUEKVDBAEITEMH-UHFFFAOYSA-N -1 1 357.120 0.600 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NCC[C@H](C)F)cc1[N-]S(C)(=O)=O ZINC000481621953 250345534 /nfs/dbraw/zinc/34/55/34/250345534.db2.gz GZHXWQZIPCKHGO-VIFPVBQESA-N -1 1 361.395 0.870 10 0 FCAEMM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889438 208173060 /nfs/dbraw/zinc/17/30/60/208173060.db2.gz WKVQFVJCJPNQJS-SSDOTTSWSA-N -1 1 355.342 0.966 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000116982063 208338905 /nfs/dbraw/zinc/33/89/05/208338905.db2.gz AZSQECKDZGLTIT-SECBINFHSA-N -1 1 363.233 0.918 10 0 FCAEMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000117930665 208347484 /nfs/dbraw/zinc/34/74/84/208347484.db2.gz PEWSEVXADCHQAO-SNVBAGLBSA-N -1 1 372.838 0.199 10 0 FCAEMM CN(C)C(=O)CN1CCC[C@]2(C(=O)[O-])CN(c3nncs3)C[C@@H]2C1 ZINC000096064289 222011091 /nfs/dbraw/zinc/01/10/91/222011091.db2.gz AXLPVRMZGBOTIF-NHYWBVRUSA-N -1 1 353.448 0.229 10 0 FCAEMM NC(=O)c1[nH]nnc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855101 230275196 /nfs/dbraw/zinc/27/51/96/230275196.db2.gz BBGJCDIWKPEOSL-NSHDSACASA-N -1 1 374.376 0.463 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@@H]2C)c(Br)n1C ZINC000287431158 488869027 /nfs/dbraw/zinc/86/90/27/488869027.db2.gz PZRIPXYQIPVCBA-SVRRBLITSA-N -1 1 365.253 0.436 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN3CCOC[C@@H]3C2)c(=O)[n-]1 ZINC000363869586 488894474 /nfs/dbraw/zinc/89/44/74/488894474.db2.gz RKQJGJDAZJGBDP-LBPRGKRZSA-N -1 1 352.460 0.688 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000013305646 487562651 /nfs/dbraw/zinc/56/26/51/487562651.db2.gz QMDODGKZQBOIFZ-LBPRGKRZSA-N -1 1 353.356 0.171 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)o1 ZINC000032976367 487789226 /nfs/dbraw/zinc/78/92/26/487789226.db2.gz HSNIOVCQIMVVDD-JTQLQIEISA-N -1 1 367.431 0.997 10 0 FCAEMM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000184327704 488396016 /nfs/dbraw/zinc/39/60/16/488396016.db2.gz ZUDUCMOMNSMLGZ-SECBINFHSA-N -1 1 364.230 0.957 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cn1C ZINC000268457476 488420776 /nfs/dbraw/zinc/42/07/76/488420776.db2.gz CVLSXNPARACLSY-UHFFFAOYSA-N -1 1 367.431 0.803 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1CCO[C@H](CO)C1 ZINC000230903531 488452889 /nfs/dbraw/zinc/45/28/89/488452889.db2.gz PYFOMSHXKGPPCO-VIFPVBQESA-N -1 1 363.151 0.830 10 0 FCAEMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000119489657 488557214 /nfs/dbraw/zinc/55/72/14/488557214.db2.gz HDNACCIEPYVWTO-SNVBAGLBSA-N -1 1 355.391 0.571 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000599456587 492175297 /nfs/dbraw/zinc/17/52/97/492175297.db2.gz NQDRYVLMBREAHR-NWDGAFQWSA-N -1 1 365.448 0.463 10 0 FCAEMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CCN1CC(F)F ZINC000125507395 488601901 /nfs/dbraw/zinc/60/19/01/488601901.db2.gz MWDOEYJCUMFFOH-JTQLQIEISA-N -1 1 365.402 0.989 10 0 FCAEMM CNC(=O)CN1CCC([N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131169321 488643419 /nfs/dbraw/zinc/64/34/19/488643419.db2.gz SDSCJMILGRWREO-UHFFFAOYSA-N -1 1 363.842 0.968 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000274286199 488695708 /nfs/dbraw/zinc/69/57/08/488695708.db2.gz MKDFUKFMEAIUCT-ZDUSSCGKSA-N -1 1 360.370 0.618 10 0 FCAEMM COCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152465182 488718479 /nfs/dbraw/zinc/71/84/79/488718479.db2.gz WFCADYNQFPWEOC-GFCCVEGCSA-N -1 1 354.370 0.926 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000275051115 488756651 /nfs/dbraw/zinc/75/66/51/488756651.db2.gz XBKUIFFHCVSDIG-GFCCVEGCSA-N -1 1 352.416 0.780 10 0 FCAEMM COCCc1cc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n(C)n1 ZINC000156517116 488765927 /nfs/dbraw/zinc/76/59/27/488765927.db2.gz CLYKQKXCAZZKNH-UHFFFAOYSA-N -1 1 358.402 0.743 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)[O-])cc1 ZINC000170307868 488813508 /nfs/dbraw/zinc/81/35/08/488813508.db2.gz YTOXKMQIXWAOKE-AWEZNQCLSA-N -1 1 364.383 0.568 10 0 FCAEMM COc1cc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc(OC)c1 ZINC000288568006 488992847 /nfs/dbraw/zinc/99/28/47/488992847.db2.gz AMUBHSQZNYFZAT-NSHDSACASA-N -1 1 361.402 0.933 10 0 FCAEMM CC(C)(O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000281489226 489079267 /nfs/dbraw/zinc/07/92/67/489079267.db2.gz HNZQAJAFJJCLSM-UHFFFAOYSA-N -1 1 358.416 0.513 10 0 FCAEMM O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289590455 489079938 /nfs/dbraw/zinc/07/99/38/489079938.db2.gz JIMNKSPFEBSSPR-VXGBXAGGSA-N -1 1 373.388 0.996 10 0 FCAEMM CN([C@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330642825 489126837 /nfs/dbraw/zinc/12/68/37/489126837.db2.gz GJRDKJKJVBPKTK-JTQLQIEISA-N -1 1 352.409 0.607 10 0 FCAEMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC(CO)C1 ZINC000290725768 489161117 /nfs/dbraw/zinc/16/11/17/489161117.db2.gz NPCPAXZURGVRNZ-UHFFFAOYSA-N -1 1 353.227 0.722 10 0 FCAEMM Cn1cnc(-c2ccc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)cc2)n1 ZINC000282995412 489204670 /nfs/dbraw/zinc/20/46/70/489204670.db2.gz VDIROYJBGBPBNU-ZDUSSCGKSA-N -1 1 353.386 0.913 10 0 FCAEMM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n[nH]c1C(C)C ZINC000349573930 489319135 /nfs/dbraw/zinc/31/91/35/489319135.db2.gz LBHJQBMICRWBNK-UHFFFAOYSA-N -1 1 352.482 0.865 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1ccccn1 ZINC000349589822 489322756 /nfs/dbraw/zinc/32/27/56/489322756.db2.gz IJZCWRVKDSREQV-GFCCVEGCSA-N -1 1 363.461 0.312 10 0 FCAEMM Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)n1 ZINC000349606174 489326187 /nfs/dbraw/zinc/32/61/87/489326187.db2.gz JAXZYIDENYADFL-UHFFFAOYSA-N -1 1 363.461 0.879 10 0 FCAEMM CO[C@@](C)(c1noc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1)C1CC1 ZINC000350423792 489339174 /nfs/dbraw/zinc/33/91/74/489339174.db2.gz UAMKEQRDYVYVIL-CQSZACIVSA-N -1 1 355.420 0.862 10 0 FCAEMM CCc1noc(C)c1-c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000351019042 489353187 /nfs/dbraw/zinc/35/31/87/489353187.db2.gz MSKIFZQQXLINLE-UHFFFAOYSA-N -1 1 352.376 0.807 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c(Br)n1C ZINC000287076368 489458597 /nfs/dbraw/zinc/45/85/97/489458597.db2.gz XSONSEKNYHQRGQ-ZETCQYMHSA-N -1 1 363.241 0.450 10 0 FCAEMM CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000414224452 489494250 /nfs/dbraw/zinc/49/42/50/489494250.db2.gz QGUYKLMPRBVOJC-SECBINFHSA-N -1 1 351.388 0.480 10 0 FCAEMM CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000414224452 489494252 /nfs/dbraw/zinc/49/42/52/489494252.db2.gz QGUYKLMPRBVOJC-SECBINFHSA-N -1 1 351.388 0.480 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000372299652 489568203 /nfs/dbraw/zinc/56/82/03/489568203.db2.gz BQPPVLQLKWYFSX-UHFFFAOYSA-N -1 1 372.834 0.769 10 0 FCAEMM Cc1cnc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000426644385 489577928 /nfs/dbraw/zinc/57/79/28/489577928.db2.gz CVNFZUNDVOUWMT-STQMWFEESA-N -1 1 354.428 0.904 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000427356624 489603494 /nfs/dbraw/zinc/60/34/94/489603494.db2.gz GZQQRNSFLVMUOZ-GHMZBOCLSA-N -1 1 355.416 0.305 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)co1 ZINC000372876583 489646642 /nfs/dbraw/zinc/64/66/42/489646642.db2.gz BLKRYHFRNIYDNA-GFCCVEGCSA-N -1 1 365.415 0.377 10 0 FCAEMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc3c(cn2)nc[nH]c3=O)s1 ZINC000489733738 489726309 /nfs/dbraw/zinc/72/63/09/489726309.db2.gz HVUFITPCMILMQL-UHFFFAOYSA-N -1 1 360.355 0.940 10 0 FCAEMM COc1cc(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)nn1C ZINC000555816368 491275224 /nfs/dbraw/zinc/27/52/24/491275224.db2.gz OKEOARXVFADTHY-UHFFFAOYSA-N -1 1 369.403 1.453 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)[n-]1 ZINC000474440974 489762112 /nfs/dbraw/zinc/76/21/12/489762112.db2.gz WRNYPDGMGPVSMY-CYBMUJFWSA-N -1 1 364.427 0.919 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)n[n-]1 ZINC000474440974 489762116 /nfs/dbraw/zinc/76/21/16/489762116.db2.gz WRNYPDGMGPVSMY-CYBMUJFWSA-N -1 1 364.427 0.919 10 0 FCAEMM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ncc(C)cc2[O-])CC1 ZINC000460191075 489853910 /nfs/dbraw/zinc/85/39/10/489853910.db2.gz OFTKIOGOEMPXDL-UHFFFAOYSA-N -1 1 363.414 0.969 10 0 FCAEMM COc1cc(C(=O)NCCN2CCN(C(C)=O)CC2)cc(Cl)c1[O-] ZINC000460193977 489854699 /nfs/dbraw/zinc/85/46/99/489854699.db2.gz OZQZNHMGSCFCTE-UHFFFAOYSA-N -1 1 355.822 0.948 10 0 FCAEMM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000476535758 489898240 /nfs/dbraw/zinc/89/82/40/489898240.db2.gz PEFQELXDWOOFQA-GYSYKLTISA-N -1 1 365.473 0.686 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(N3CCOCC3)CCC2)c1 ZINC000461444317 489910376 /nfs/dbraw/zinc/91/03/76/489910376.db2.gz FCFGTCMVGLWREP-UHFFFAOYSA-N -1 1 369.443 0.494 10 0 FCAEMM Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC000377598904 489929738 /nfs/dbraw/zinc/92/97/38/489929738.db2.gz HYOITSZOOAVJLV-GXTWGEPZSA-N -1 1 356.386 0.461 10 0 FCAEMM CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000477057237 489935827 /nfs/dbraw/zinc/93/58/27/489935827.db2.gz MUFOCDBWQVMMGI-UHFFFAOYSA-N -1 1 364.431 0.553 10 0 FCAEMM CCC(CC)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)N1CCOCC1 ZINC000435136346 489983597 /nfs/dbraw/zinc/98/35/97/489983597.db2.gz AYIOOCGEXHKSOD-AWEZNQCLSA-N -1 1 352.435 0.353 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000377965640 489988941 /nfs/dbraw/zinc/98/89/41/489988941.db2.gz WTYMVFRVRNDGNN-JTQLQIEISA-N -1 1 362.839 0.132 10 0 FCAEMM O=C([O-])CCNC(=O)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000420585285 489998702 /nfs/dbraw/zinc/99/87/02/489998702.db2.gz BBMNSFSYFCBXPB-CYBMUJFWSA-N -1 1 371.397 0.769 10 0 FCAEMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)n1nnc(-c2ccccc2)n1 ZINC000463685479 490024883 /nfs/dbraw/zinc/02/48/83/490024883.db2.gz SHVWDBANLODUSK-NSHDSACASA-N -1 1 353.390 1.000 10 0 FCAEMM CCc1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)s1 ZINC000564406011 491305368 /nfs/dbraw/zinc/30/53/68/491305368.db2.gz OSSILGGCDKWYTO-UHFFFAOYSA-N -1 1 373.481 0.909 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)co1 ZINC000408051333 490229229 /nfs/dbraw/zinc/22/92/29/490229229.db2.gz JKGKNUXFSIZGPA-JHJVBQTASA-N -1 1 358.416 0.190 10 0 FCAEMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@H]1O ZINC000408092929 490246160 /nfs/dbraw/zinc/24/61/60/490246160.db2.gz ZXDKAYZMTFJKEC-BXKDBHETSA-N -1 1 366.436 0.589 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000571698407 491323906 /nfs/dbraw/zinc/32/39/06/491323906.db2.gz RATNIUUGSHQXME-UHFFFAOYSA-N -1 1 366.399 0.584 10 0 FCAEMM CS(=O)(=O)Nc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1Cl ZINC000564769390 491325349 /nfs/dbraw/zinc/32/53/49/491325349.db2.gz KRKFHZVMBSUOIY-UHFFFAOYSA-N -1 1 356.795 0.644 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)sc1C ZINC000548761460 490539393 /nfs/dbraw/zinc/53/93/93/490539393.db2.gz JHOUGCIDEOXLGE-UHFFFAOYSA-N -1 1 350.462 0.596 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)OC)cc2)co1 ZINC000535907120 490540824 /nfs/dbraw/zinc/54/08/24/490540824.db2.gz WAGCFJKFOFEJFR-UHFFFAOYSA-N -1 1 352.368 0.904 10 0 FCAEMM CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2C1 ZINC000486543277 490644668 /nfs/dbraw/zinc/64/46/68/490644668.db2.gz GVXZEUGIMYWTDV-LBPRGKRZSA-N -1 1 372.433 0.294 10 0 FCAEMM CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)[C@@H]1c1cccnc1 ZINC000537122155 490650532 /nfs/dbraw/zinc/65/05/32/490650532.db2.gz DSRXPEZBMHMJCW-YDHLFZDLSA-N -1 1 355.402 0.520 10 0 FCAEMM COc1ccc(C(=O)CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000512577855 490689141 /nfs/dbraw/zinc/68/91/41/490689141.db2.gz NWSSNQPHGQCVGY-UHFFFAOYSA-N -1 1 352.372 0.818 10 0 FCAEMM COc1ccc(C(=O)CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000512577855 490689145 /nfs/dbraw/zinc/68/91/45/490689145.db2.gz NWSSNQPHGQCVGY-UHFFFAOYSA-N -1 1 352.372 0.818 10 0 FCAEMM CC(=O)N[C@@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC000512666531 490691891 /nfs/dbraw/zinc/69/18/91/490691891.db2.gz WSXFTISMPSCUOL-NSHDSACASA-N -1 1 351.388 0.414 10 0 FCAEMM CC(=O)N[C@@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC000512666531 490691894 /nfs/dbraw/zinc/69/18/94/490691894.db2.gz WSXFTISMPSCUOL-NSHDSACASA-N -1 1 351.388 0.414 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000487401869 490711490 /nfs/dbraw/zinc/71/14/90/490711490.db2.gz SSFHWQLKOCXANF-IUCAKERBSA-N -1 1 363.461 0.495 10 0 FCAEMM O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1nc2ccccc2c(=O)[n-]1 ZINC000513472929 490732844 /nfs/dbraw/zinc/73/28/44/490732844.db2.gz OJIJJXRQNJWIJF-LBPRGKRZSA-N -1 1 370.331 0.916 10 0 FCAEMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000538849465 490753936 /nfs/dbraw/zinc/75/39/36/490753936.db2.gz DKVRLIINSZFUDJ-SNVBAGLBSA-N -1 1 350.400 0.077 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000540423108 490821409 /nfs/dbraw/zinc/82/14/09/490821409.db2.gz IYNUUQNTGOYFFA-NSHDSACASA-N -1 1 364.431 0.981 10 0 FCAEMM O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540423077 490821452 /nfs/dbraw/zinc/82/14/52/490821452.db2.gz INYXSMBBWIHTFI-LLVKDONJSA-N -1 1 354.370 0.592 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)co1 ZINC000540509616 490825928 /nfs/dbraw/zinc/82/59/28/490825928.db2.gz RQJPXIGIRIOMLI-CYBMUJFWSA-N -1 1 368.367 0.537 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)o1 ZINC000516005086 490846158 /nfs/dbraw/zinc/84/61/58/490846158.db2.gz UBSGDTZNGQZFOI-UHFFFAOYSA-N -1 1 351.340 0.771 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CCOC2)c(F)c1 ZINC000541326045 490858197 /nfs/dbraw/zinc/85/81/97/490858197.db2.gz SVQLKWZBRCAGOR-JTQLQIEISA-N -1 1 366.436 0.902 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCO1 ZINC000529732585 490867885 /nfs/dbraw/zinc/86/78/85/490867885.db2.gz BWYOWPLBFFKOGF-SNVBAGLBSA-N -1 1 372.219 0.925 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H]2CC=CCC2)o1 ZINC000529870561 490879340 /nfs/dbraw/zinc/87/93/40/490879340.db2.gz UZHVMHPJJHHPDE-NSHDSACASA-N -1 1 355.416 0.519 10 0 FCAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000530261889 490895745 /nfs/dbraw/zinc/89/57/45/490895745.db2.gz HNFLKVOVBMRNEJ-SMDDNHRTSA-N -1 1 354.374 0.347 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)CO)cc1)C1CC1 ZINC000566619917 491456636 /nfs/dbraw/zinc/45/66/36/491456636.db2.gz IVRSGZLWALXDPU-NHYWBVRUSA-N -1 1 356.444 0.964 10 0 FCAEMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)[C@H]1n1cccn1 ZINC000568034161 491549212 /nfs/dbraw/zinc/54/92/12/491549212.db2.gz KQYKQHZTJPOHEU-MPKXVKKWSA-N -1 1 368.415 0.533 10 0 FCAEMM CC1(CO)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000576480492 491618475 /nfs/dbraw/zinc/61/84/75/491618475.db2.gz LXSATVFYTRIOKY-UHFFFAOYSA-N -1 1 352.409 0.200 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000579953040 491710852 /nfs/dbraw/zinc/71/08/52/491710852.db2.gz CALMWHFAQQFCJC-LSDHHAIUSA-N -1 1 356.444 0.900 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CN3C(=O)CSc4ccccc43)nc2n1 ZINC000588006470 491737173 /nfs/dbraw/zinc/73/71/73/491737173.db2.gz KFDQVBXAQZBTQM-UHFFFAOYSA-N -1 1 370.394 0.803 10 0 FCAEMM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)C(=O)OC ZINC000589214743 491757381 /nfs/dbraw/zinc/75/73/81/491757381.db2.gz WQDMXHVRXLNGLB-CQSZACIVSA-N -1 1 355.412 0.426 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ccnn1C ZINC000592091500 491831760 /nfs/dbraw/zinc/83/17/60/491831760.db2.gz JINXCQONSAUYTA-CQSZACIVSA-N -1 1 351.384 0.548 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ccnn1C ZINC000592097591 491831830 /nfs/dbraw/zinc/83/18/30/491831830.db2.gz QTJVLHFCXKYYAM-CYBMUJFWSA-N -1 1 351.384 0.548 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000583233442 491840518 /nfs/dbraw/zinc/84/05/18/491840518.db2.gz ANVBXWRQOHJDMH-SNVBAGLBSA-N -1 1 372.451 0.224 10 0 FCAEMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000583233442 491840519 /nfs/dbraw/zinc/84/05/19/491840519.db2.gz ANVBXWRQOHJDMH-SNVBAGLBSA-N -1 1 372.451 0.224 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000594864344 491868190 /nfs/dbraw/zinc/86/81/90/491868190.db2.gz FILBVQAEEHBWLQ-CYBMUJFWSA-N -1 1 353.412 0.931 10 0 FCAEMM O=C(CNC(=O)NCc1ccc(F)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381613 492092928 /nfs/dbraw/zinc/09/29/28/492092928.db2.gz FXJCENKEEQVQBY-UHFFFAOYSA-N -1 1 361.381 0.724 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n[n-]1 ZINC000615919372 492107717 /nfs/dbraw/zinc/10/77/17/492107717.db2.gz GQULAKQDFAMEQL-NSHDSACASA-N -1 1 365.434 0.882 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000615919372 492107721 /nfs/dbraw/zinc/10/77/21/492107721.db2.gz GQULAKQDFAMEQL-NSHDSACASA-N -1 1 365.434 0.882 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)n[n-]1 ZINC000615920134 492107913 /nfs/dbraw/zinc/10/79/13/492107913.db2.gz RNKIEXHIROAXGN-UHFFFAOYSA-N -1 1 357.370 0.820 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000615920134 492107915 /nfs/dbraw/zinc/10/79/15/492107915.db2.gz RNKIEXHIROAXGN-UHFFFAOYSA-N -1 1 357.370 0.820 10 0 FCAEMM O=C(c1ncc2ccccc2c1[O-])N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000616474175 492133565 /nfs/dbraw/zinc/13/35/65/492133565.db2.gz JGFQUFXJULSVLA-KRWDZBQOSA-N -1 1 362.407 0.970 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)CC(F)(F)F)on1 ZINC000599265405 492151519 /nfs/dbraw/zinc/15/15/19/492151519.db2.gz JVJSIZSOUXKSPJ-ZETCQYMHSA-N -1 1 360.310 0.584 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1F ZINC000599325152 492160351 /nfs/dbraw/zinc/16/03/51/492160351.db2.gz ANNMXJQTJJEKDR-VIFPVBQESA-N -1 1 362.354 0.698 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)c1F ZINC000599336410 492162216 /nfs/dbraw/zinc/16/22/16/492162216.db2.gz JSQOSPHBZBALQK-ZDUSSCGKSA-N -1 1 353.343 0.427 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1F ZINC000599392794 492167427 /nfs/dbraw/zinc/16/74/27/492167427.db2.gz XQENAFHLLRZWAK-MNOVXSKESA-N -1 1 365.354 0.570 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1F ZINC000599453253 492174619 /nfs/dbraw/zinc/17/46/19/492174619.db2.gz NWQOBKAZTOSRMP-SNVBAGLBSA-N -1 1 364.370 0.360 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000599456588 492175478 /nfs/dbraw/zinc/17/54/78/492175478.db2.gz NQDRYVLMBREAHR-RYUDHWBXSA-N -1 1 365.448 0.463 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000599476884 492178431 /nfs/dbraw/zinc/17/84/31/492178431.db2.gz OUVOIKWVNFVPDE-UHFFFAOYSA-N -1 1 366.798 0.827 10 0 FCAEMM C[C@H]1CC(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H](C)C1 ZINC000617666713 492179580 /nfs/dbraw/zinc/17/95/80/492179580.db2.gz PYPDORCJWZMXBB-GHMZBOCLSA-N -1 1 371.459 0.845 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[C@@H]1C(=O)[O-] ZINC000647483758 492294516 /nfs/dbraw/zinc/29/45/16/492294516.db2.gz IYVCJHWRJXCXHL-FZMZJTMJSA-N -1 1 357.370 0.775 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)co1 ZINC000620399168 492306498 /nfs/dbraw/zinc/30/64/98/492306498.db2.gz GRJFITRSNWHGRT-LLVKDONJSA-N -1 1 357.432 0.565 10 0 FCAEMM CN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000647586875 492326689 /nfs/dbraw/zinc/32/66/89/492326689.db2.gz PEYBZLLIYMIMRA-ZJIFWQFVSA-N -1 1 359.426 0.918 10 0 FCAEMM CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000647592481 492330561 /nfs/dbraw/zinc/33/05/61/492330561.db2.gz HLWXTDAHQXCHMU-CFVMTHIKSA-N -1 1 365.405 0.914 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000647678019 492343502 /nfs/dbraw/zinc/34/35/02/492343502.db2.gz MYGVYOKWYRYLOI-CQSZACIVSA-N -1 1 366.487 0.568 10 0 FCAEMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000634658033 492359715 /nfs/dbraw/zinc/35/97/15/492359715.db2.gz NDDMPJQXIVTNFS-UHFFFAOYSA-N -1 1 360.321 0.895 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NCC(=O)N3CCCO3)c(=O)c2c(OC)c1 ZINC000627893378 492415525 /nfs/dbraw/zinc/41/55/25/492415525.db2.gz XXYRFUVRTSLINB-UHFFFAOYSA-N -1 1 361.354 0.439 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCn3cc(Br)cn3)nc2n1 ZINC000622871960 492492180 /nfs/dbraw/zinc/49/21/80/492492180.db2.gz PFYQSEZVYOPFFU-UHFFFAOYSA-N -1 1 366.179 0.714 10 0 FCAEMM CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1)C(=O)[O-] ZINC000655985662 492505511 /nfs/dbraw/zinc/50/55/11/492505511.db2.gz AUJUQMZHAMRBPS-AWEZNQCLSA-N -1 1 367.421 0.977 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000656101980 492551762 /nfs/dbraw/zinc/55/17/62/492551762.db2.gz AGWUFGHFBSVCEZ-KBPBESRZSA-N -1 1 353.463 0.888 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccn(-c4ccc(F)cc4)n3)nc2n1 ZINC000643909191 492600609 /nfs/dbraw/zinc/60/06/09/492600609.db2.gz KRJLKDDTGCGVRM-UHFFFAOYSA-N -1 1 353.317 0.725 10 0 FCAEMM CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506449 492647056 /nfs/dbraw/zinc/64/70/56/492647056.db2.gz MMAKKKZOVOYSNE-CVEARBPZSA-N -1 1 355.479 0.789 10 0 FCAEMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2COC2)n1 ZINC000629630683 492660588 /nfs/dbraw/zinc/66/05/88/492660588.db2.gz HGZMKWADEYOTDY-UHFFFAOYSA-N -1 1 363.461 0.088 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC3(CC3)CC2)o1 ZINC000629645284 492661704 /nfs/dbraw/zinc/66/17/04/492661704.db2.gz QLZDUGLSIBSLAT-UHFFFAOYSA-N -1 1 355.416 0.450 10 0 FCAEMM O=S(=O)([N-]CC1(O)CCOCC1)c1ncccc1Br ZINC000656909927 492666953 /nfs/dbraw/zinc/66/69/53/492666953.db2.gz KCFNTACWTBNFHP-UHFFFAOYSA-N -1 1 351.222 0.664 10 0 FCAEMM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1=O ZINC000657016523 492694877 /nfs/dbraw/zinc/69/48/77/492694877.db2.gz AATIWXGMZAYXOT-MRVPVSSYSA-N -1 1 362.205 0.270 10 0 FCAEMM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ncccc1Br ZINC000657023398 492696965 /nfs/dbraw/zinc/69/69/65/492696965.db2.gz RTHSZWBNMJAXRQ-LLVKDONJSA-N -1 1 351.222 0.664 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CCOCC1 ZINC000657072248 492709040 /nfs/dbraw/zinc/70/90/40/492709040.db2.gz YPWFUFYQXYSDRC-CQSZACIVSA-N -1 1 368.455 0.689 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000625027220 492713169 /nfs/dbraw/zinc/71/31/69/492713169.db2.gz KJLUVZKBGMWRIH-TUKIKUTGSA-N -1 1 370.475 0.648 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)[n-]1 ZINC000651495615 492767574 /nfs/dbraw/zinc/76/75/74/492767574.db2.gz PYFIIVHNQCSHQO-HNNXBMFYSA-N -1 1 358.446 0.509 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000630728924 492770048 /nfs/dbraw/zinc/77/00/48/492770048.db2.gz FCQRODJFCKWIRA-UHFFFAOYSA-N -1 1 366.223 0.639 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)[n-]1 ZINC000651559860 492782398 /nfs/dbraw/zinc/78/23/98/492782398.db2.gz KRJOMIPYGMFKMW-UHFFFAOYSA-N -1 1 359.434 0.205 10 0 FCAEMM C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1nn[n-]n1 ZINC000630917759 492784664 /nfs/dbraw/zinc/78/46/64/492784664.db2.gz ZZKNBJRZIROYIC-OAHLLOKOSA-N -1 1 358.446 0.882 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)[n-]1 ZINC000651613306 492794165 /nfs/dbraw/zinc/79/41/65/492794165.db2.gz VLQHYRQTFSCFNQ-UHFFFAOYSA-N -1 1 364.475 0.871 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(=O)n(C)c1=O ZINC000625620020 492841709 /nfs/dbraw/zinc/84/17/09/492841709.db2.gz GHGNSZNDSBJBCR-UHFFFAOYSA-N -1 1 369.365 0.485 10 0 FCAEMM CC[C@@H](NC(=O)CCc1nn[n-]n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000631806029 492856622 /nfs/dbraw/zinc/85/66/22/492856622.db2.gz ZNDMWDHCTOXLDT-CVEARBPZSA-N -1 1 358.446 0.928 10 0 FCAEMM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)C1 ZINC000632014029 492910135 /nfs/dbraw/zinc/91/01/35/492910135.db2.gz ZQGFNOLRASIPSE-MFKMUULPSA-N -1 1 350.387 0.248 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)c(=O)n(C)c1=O ZINC000645819177 492977616 /nfs/dbraw/zinc/97/76/16/492977616.db2.gz RDEXMXDOCRNPEU-UHFFFAOYSA-N -1 1 367.402 0.581 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC2)c(=O)n(C)c1=O ZINC000645810034 492978009 /nfs/dbraw/zinc/97/80/09/492978009.db2.gz VWZGCJUASUAYDR-UHFFFAOYSA-N -1 1 367.402 0.581 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1=O ZINC000632548581 493026821 /nfs/dbraw/zinc/02/68/21/493026821.db2.gz RFUSDPBGAYFVEK-OLZOCXBDSA-N -1 1 351.428 0.114 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1=O ZINC000632548580 493027371 /nfs/dbraw/zinc/02/73/71/493027371.db2.gz RFUSDPBGAYFVEK-CHWSQXEVSA-N -1 1 351.428 0.114 10 0 FCAEMM COc1ccc(NC(=O)N2CCn3nncc3C2)cc1[N-]S(C)(=O)=O ZINC000654008591 493202395 /nfs/dbraw/zinc/20/23/95/493202395.db2.gz REUJYMCCRFOIPC-UHFFFAOYSA-N -1 1 366.403 0.706 10 0 FCAEMM Cc1ccc2nc(CNC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)[nH]c2c1 ZINC000659654127 493233321 /nfs/dbraw/zinc/23/33/21/493233321.db2.gz XVLVCRKTMAIZSF-ADLMAVQZSA-N -1 1 372.381 0.047 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)CC(=O)[O-] ZINC000659666787 493241199 /nfs/dbraw/zinc/24/11/99/493241199.db2.gz VHTZPUPDUZYGFZ-DZGCQCFKSA-N -1 1 353.463 0.935 10 0 FCAEMM CCc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000436209807 536154906 /nfs/dbraw/zinc/15/49/06/536154906.db2.gz YDBYWAOQDODSFC-UHFFFAOYSA-N -1 1 354.432 0.154 10 0 FCAEMM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000593649349 546727725 /nfs/dbraw/zinc/72/77/25/546727725.db2.gz IXUZDHSDAHJBSM-RYUDHWBXSA-N -1 1 364.464 0.273 10 0 FCAEMM COC[C@@](C)([N-]S(=O)(=O)c1ncccc1Br)C(=O)OC ZINC000594760589 546821000 /nfs/dbraw/zinc/82/10/00/546821000.db2.gz RKQJXIXVAUWYKV-LLVKDONJSA-N -1 1 367.221 0.701 10 0 FCAEMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC1(c2nn[n-]n2)CC1 ZINC000477060079 546942199 /nfs/dbraw/zinc/94/21/99/546942199.db2.gz VVMRPTWKGMUINC-UHFFFAOYSA-N -1 1 370.822 0.327 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867506462 663139903 /nfs/dbraw/zinc/13/99/03/663139903.db2.gz XPJJPFLOLXVMSM-POYBYMJQSA-N -1 1 357.310 0.048 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c1C(F)(F)F ZINC000866850318 663145032 /nfs/dbraw/zinc/14/50/32/663145032.db2.gz ZMCHEVXLMQNXKR-SECBINFHSA-N -1 1 357.354 0.505 10 0 FCAEMM CSCc1n[nH]c(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n1 ZINC000899473571 665940642 /nfs/dbraw/zinc/94/06/42/665940642.db2.gz MUSRNNARPDADPC-VIFPVBQESA-N -1 1 353.370 0.987 10 0 FCAEMM CSCc1nnc(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)[nH]1 ZINC000899473571 665940644 /nfs/dbraw/zinc/94/06/44/665940644.db2.gz MUSRNNARPDADPC-VIFPVBQESA-N -1 1 353.370 0.987 10 0 FCAEMM CC[S@](=O)CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000311201862 664247236 /nfs/dbraw/zinc/24/72/36/664247236.db2.gz KVVNGGWKYCZLOR-KRWDZBQOSA-N -1 1 358.283 0.538 10 0 FCAEMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866963725 665252721 /nfs/dbraw/zinc/25/27/21/665252721.db2.gz XMGBSGSQEVQKJL-QMMMGPOBSA-N -1 1 369.369 0.521 10 0 FCAEMM Cn1c([S-])nnc1CCNC(=O)c1cccn(CC(F)(F)F)c1=O ZINC000906574679 666058294 /nfs/dbraw/zinc/05/82/94/666058294.db2.gz WYIYIWPLSDEKLT-UHFFFAOYSA-N -1 1 361.349 0.800 10 0 FCAEMM C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000908205712 666194442 /nfs/dbraw/zinc/19/44/42/666194442.db2.gz PPBSLQTUVIMBGP-QXEWZRGKSA-N -1 1 362.352 0.641 10 0 FCAEMM C[C@H]1CCN(C(=O)[C@H]2OCCN(C)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000908206115 666194907 /nfs/dbraw/zinc/19/49/07/666194907.db2.gz STMGZSVSDWDTON-NAKRPEOUSA-N -1 1 365.352 0.148 10 0 FCAEMM C[C@@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCS1(=O)=O ZINC000908285618 666198342 /nfs/dbraw/zinc/19/83/42/666198342.db2.gz UHFZTXNZGCYCGT-GWCFXTLKSA-N -1 1 370.393 0.871 10 0 FCAEMM O=C([O-])[C@@H](CF)NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000908753824 666217219 /nfs/dbraw/zinc/21/72/19/666217219.db2.gz PYJHJUWWZSBCFO-OAHLLOKOSA-N -1 1 352.410 0.526 10 0 FCAEMM CN1CCN(c2cccc(C(=O)NC[C@@H]3[C@H](C(=O)[O-])C3(F)F)n2)CC1 ZINC000910485355 666246605 /nfs/dbraw/zinc/24/66/05/666246605.db2.gz AIPRYFDQFYSSCA-ZWNOBZJWSA-N -1 1 354.357 0.529 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)O2 ZINC000910547922 666250407 /nfs/dbraw/zinc/25/04/07/666250407.db2.gz WWICGZQEXDEFBX-KQVLKZGSSA-N -1 1 354.447 0.872 10 0 FCAEMM CN1CCN(c2ncccc2CNC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC000911294802 666332011 /nfs/dbraw/zinc/33/20/11/666332011.db2.gz FGHUYOQJNFEIHA-UHFFFAOYSA-N -1 1 361.427 0.918 10 0 FCAEMM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000921338274 666435742 /nfs/dbraw/zinc/43/57/42/666435742.db2.gz FCDVHRUYZZNJQJ-CYBMUJFWSA-N -1 1 352.815 0.451 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000921377542 666442092 /nfs/dbraw/zinc/44/20/92/666442092.db2.gz XROVCKYCIVMKKK-WOPDTQHZSA-N -1 1 355.478 0.252 10 0 FCAEMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000921433575 666451178 /nfs/dbraw/zinc/45/11/78/666451178.db2.gz QNZJCIVACSQFTK-LAJNKCICSA-N -1 1 355.526 0.828 10 0 FCAEMM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1=O ZINC000921490065 666454220 /nfs/dbraw/zinc/45/42/20/666454220.db2.gz YBDYRLYKEMZENP-MRVPVSSYSA-N -1 1 354.354 0.728 10 0 FCAEMM COc1cc[n-]c(=NNS(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000055585241 666543721 /nfs/dbraw/zinc/54/37/21/666543721.db2.gz MCUQDZFMPPOGGX-UHFFFAOYSA-N -1 1 354.779 0.514 10 0 FCAEMM O=C([N-]CC1CN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)C1)C(F)(F)F ZINC000913781142 666649993 /nfs/dbraw/zinc/64/99/93/666649993.db2.gz CVNAYUOKDMXLBJ-LBPRGKRZSA-N -1 1 356.304 0.712 10 0 FCAEMM CCN(CCO)CCNS(=O)(=O)c1c([O-])cccc1OC(F)(F)F ZINC000914384894 666749568 /nfs/dbraw/zinc/74/95/68/666749568.db2.gz ITQRTVFCQYEDED-UHFFFAOYSA-N -1 1 372.365 0.883 10 0 FCAEMM CC[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000733959713 666944619 /nfs/dbraw/zinc/94/46/19/666944619.db2.gz DASLIUUCPQAIPF-NRFANRHFSA-N -1 1 350.462 0.855 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)c(F)c1 ZINC000917050915 667047946 /nfs/dbraw/zinc/04/79/46/667047946.db2.gz LOIOKLUQBKLGCZ-NSHDSACASA-N -1 1 361.414 0.642 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H](CO)c2cccnc2)c1C(F)(F)F ZINC000917484460 667075835 /nfs/dbraw/zinc/07/58/35/667075835.db2.gz KNHDCYKDWSIQCR-SECBINFHSA-N -1 1 350.322 0.846 10 0 FCAEMM O=S(=O)([N-]CC12COCCN1CCOC2)c1cc(F)c(F)cc1F ZINC000918397043 667118025 /nfs/dbraw/zinc/11/80/25/667118025.db2.gz SQNFUZKFUOUFCX-UHFFFAOYSA-N -1 1 366.361 0.483 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCSC3(CCC3)C2)c(=O)n(C)c1=O ZINC000921716645 667467809 /nfs/dbraw/zinc/46/78/09/667467809.db2.gz OALPMFKGIPHHGT-SNVBAGLBSA-N -1 1 359.473 0.181 10 0 FCAEMM Cc1cc(F)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1 ZINC000921896878 667534890 /nfs/dbraw/zinc/53/48/90/667534890.db2.gz WNUSZKCBMHIESV-UHFFFAOYSA-N -1 1 359.354 0.149 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)co1 ZINC000756569125 667679163 /nfs/dbraw/zinc/67/91/63/667679163.db2.gz ATBJLKLSTQMEAL-VHSXEESVSA-N -1 1 351.402 0.310 10 0 FCAEMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000758506868 667768666 /nfs/dbraw/zinc/76/86/66/667768666.db2.gz ZALLCVJDAYBTAY-OAHLLOKOSA-N -1 1 355.412 0.826 10 0 FCAEMM CCN1CC[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1=O ZINC000709096457 667792227 /nfs/dbraw/zinc/79/22/27/667792227.db2.gz PEAHGSRLPUIECV-QMMMGPOBSA-N -1 1 365.253 0.390 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000759871063 667825294 /nfs/dbraw/zinc/82/52/94/667825294.db2.gz UHSWEJVCWDSAFI-LBPRGKRZSA-N -1 1 351.403 0.650 10 0 FCAEMM CCN1CC[C@H]1C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000712310903 667882389 /nfs/dbraw/zinc/88/23/89/667882389.db2.gz OGHNQQIWRQTHQO-VIFPVBQESA-N -1 1 351.270 0.864 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)nc1=O ZINC000765461057 668007401 /nfs/dbraw/zinc/00/74/01/668007401.db2.gz YRBAANUQYIMSAU-LLVKDONJSA-N -1 1 350.400 0.447 10 0 FCAEMM Cc1cnn(Cc2cc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)no2)c1 ZINC000773163262 668077821 /nfs/dbraw/zinc/07/78/21/668077821.db2.gz UNQYBKJFTZDKCF-LBPRGKRZSA-N -1 1 360.403 0.671 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000774261021 668141450 /nfs/dbraw/zinc/14/14/50/668141450.db2.gz FAZPMOSSSCVSRC-XMMPIXPASA-N -1 1 362.293 0.082 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(=O)[nH]c1=O ZINC000769651162 668146224 /nfs/dbraw/zinc/14/62/24/668146224.db2.gz AYMGPJOGVUZEKL-GFCCVEGCSA-N -1 1 359.448 0.987 10 0 FCAEMM C[C@@H]1[C@@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997344 668818660 /nfs/dbraw/zinc/81/86/60/668818660.db2.gz DDOGCBZCENDUBD-BDAKNGLRSA-N -1 1 373.435 0.792 10 0 FCAEMM C[C@@H]1[C@@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCN1C(=O)OC(C)(C)C ZINC000787997344 668818662 /nfs/dbraw/zinc/81/86/62/668818662.db2.gz DDOGCBZCENDUBD-BDAKNGLRSA-N -1 1 373.435 0.792 10 0 FCAEMM COc1cccc(C2=NO[C@H](C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)C2)c1 ZINC000792639322 668906274 /nfs/dbraw/zinc/90/62/74/668906274.db2.gz WKZLZXCFFNWCKU-NSHDSACASA-N -1 1 365.371 0.349 10 0 FCAEMM COc1cccc(C2=NO[C@H](C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)C2)c1 ZINC000792639322 668906275 /nfs/dbraw/zinc/90/62/75/668906275.db2.gz WKZLZXCFFNWCKU-NSHDSACASA-N -1 1 365.371 0.349 10 0 FCAEMM COc1ncc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1Br ZINC000819257492 668992414 /nfs/dbraw/zinc/99/24/14/668992414.db2.gz WVSAJCKIBAKFPT-SECBINFHSA-N -1 1 369.179 0.580 10 0 FCAEMM Cc1ccsc1[C@@H](CO)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806934729 669454178 /nfs/dbraw/zinc/45/41/78/669454178.db2.gz PRRCZGQHTSXQDE-GFCCVEGCSA-N -1 1 359.411 0.500 10 0 FCAEMM CC(C)(C)OC(=O)NC1(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000826833640 669519870 /nfs/dbraw/zinc/51/98/70/669519870.db2.gz GPBBPXGKZTTXCL-JTQLQIEISA-N -1 1 352.395 0.547 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(OC)cc1)c1ccnn1C ZINC000828133166 669618947 /nfs/dbraw/zinc/61/89/47/669618947.db2.gz UQQRXEBZRGTBQP-OAHLLOKOSA-N -1 1 367.427 0.805 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000811137166 669732704 /nfs/dbraw/zinc/73/27/04/669732704.db2.gz RJBKFSSJHHVSHO-UHFFFAOYSA-N -1 1 366.399 0.731 10 0 FCAEMM Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812275918 669794604 /nfs/dbraw/zinc/79/46/04/669794604.db2.gz FGNQRWVEMMHJML-VIFPVBQESA-N -1 1 360.336 0.655 10 0 FCAEMM Cn1cc(C[C@@H](O)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000812277118 669794690 /nfs/dbraw/zinc/79/46/90/669794690.db2.gz ROBGOEBKOUMMCM-CMPLNLGQSA-N -1 1 362.352 0.241 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)c3ccc4n[n-]c(=S)n4c3)C[C@H]1COCC2 ZINC000831005371 669820864 /nfs/dbraw/zinc/82/08/64/669820864.db2.gz JKIULYKEGWFLAD-MEDUHNTESA-N -1 1 362.411 0.670 10 0 FCAEMM C[S@](=O)(=NS(=O)(=O)[N-]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000867071967 669846855 /nfs/dbraw/zinc/84/68/55/669846855.db2.gz QAYISXQXHYOZEU-DAOPMYJZSA-N -1 1 371.484 0.989 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831521571 669849772 /nfs/dbraw/zinc/84/97/72/669849772.db2.gz DRUAILRFTNPOHS-QMMMGPOBSA-N -1 1 356.857 0.156 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@@H]1n1cccn1 ZINC000815109476 669900259 /nfs/dbraw/zinc/90/02/59/669900259.db2.gz DCMCMMRREJHPOV-AXFHLTTASA-N -1 1 359.839 0.967 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1cccc(C(F)(F)F)n1 ZINC000817452987 670013037 /nfs/dbraw/zinc/01/30/37/670013037.db2.gz YYWGOSCKKYDZKH-UHFFFAOYSA-N -1 1 356.304 0.699 10 0 FCAEMM C[C@H]1CN(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCO1 ZINC000867145858 670017590 /nfs/dbraw/zinc/01/75/90/670017590.db2.gz JWVMEDWXMQLXQY-WHEQGISXSA-N -1 1 361.489 0.698 10 0 FCAEMM O=[S@](CC[N-]S(=O)(=O)c1ccc(F)nc1F)CC(F)(F)F ZINC000867496906 670519335 /nfs/dbraw/zinc/51/93/35/670519335.db2.gz KSBUHWPEPXXQOU-HXUWFJFHSA-N -1 1 352.306 0.949 10 0 FCAEMM COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014139 670766053 /nfs/dbraw/zinc/76/60/53/670766053.db2.gz MDEZRWPNESKWPS-LBPRGKRZSA-N -1 1 363.480 0.687 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnc(-n3ccnc3)c2)CCC1 ZINC000843016882 670767500 /nfs/dbraw/zinc/76/75/00/670767500.db2.gz WJZKMUAZQCXFGR-UHFFFAOYSA-N -1 1 363.443 0.811 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C)CCC1 ZINC000843017828 670768135 /nfs/dbraw/zinc/76/81/35/670768135.db2.gz KLEIIUOAJUEHKJ-UHFFFAOYSA-N -1 1 363.480 0.832 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(OCC(N)=O)cc2)CCC1 ZINC000843018591 670768559 /nfs/dbraw/zinc/76/85/59/670768559.db2.gz ZJGHGWFUXBADDG-UHFFFAOYSA-N -1 1 369.443 0.095 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)nnc3C2)o1 ZINC000843943554 670872465 /nfs/dbraw/zinc/87/24/65/670872465.db2.gz GWCYXYGZGOGVQX-UHFFFAOYSA-N -1 1 356.791 0.830 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCC[C@H]1CSc2ccccc2O1 ZINC000843962883 670873656 /nfs/dbraw/zinc/87/36/56/670873656.db2.gz KZIKJNCNTWXPER-LBPRGKRZSA-N -1 1 361.423 0.986 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1cn(C)nn1 ZINC000845107718 670966108 /nfs/dbraw/zinc/96/61/08/670966108.db2.gz GHBUIYLJRRETAC-UHFFFAOYSA-N -1 1 352.372 0.616 10 0 FCAEMM C[C@H](O)[C@H]([N-]S(=O)(=O)N1CCCOCC1)C(=O)OCc1ccccc1 ZINC000845942623 671055009 /nfs/dbraw/zinc/05/50/09/671055009.db2.gz VDOVHLRVMMSDSK-ZFWWWQNUSA-N -1 1 372.443 0.036 10 0 FCAEMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000846332994 671102430 /nfs/dbraw/zinc/10/24/30/671102430.db2.gz WUXDKAKCBNTTAD-VXGBXAGGSA-N -1 1 351.403 0.648 10 0 FCAEMM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000848456637 671277236 /nfs/dbraw/zinc/27/72/36/671277236.db2.gz YWVKWWZAFSRECB-SECBINFHSA-N -1 1 351.327 0.710 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)o1 ZINC000848513854 671283048 /nfs/dbraw/zinc/28/30/48/671283048.db2.gz QCRVQRCHCGBMGU-JTQLQIEISA-N -1 1 358.372 0.718 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CC1 ZINC000849230210 671323022 /nfs/dbraw/zinc/32/30/22/671323022.db2.gz AJJOFKIHKYTDOO-NXEZZACHSA-N -1 1 372.365 0.712 10 0 FCAEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(C)(C)C ZINC000849381148 671332236 /nfs/dbraw/zinc/33/22/36/671332236.db2.gz NKPUECZTVWJPLG-JHJVBQTASA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)N1CC([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000849383121 671332669 /nfs/dbraw/zinc/33/26/69/671332669.db2.gz ZSSGTMIJJQMUMO-UHFFFAOYSA-N -1 1 350.194 0.573 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)c1 ZINC000849420023 671340944 /nfs/dbraw/zinc/34/09/44/671340944.db2.gz MXIUOEURLJXDDB-NRFANRHFSA-N -1 1 363.335 0.656 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)c1Cl ZINC000849447314 671347302 /nfs/dbraw/zinc/34/73/02/671347302.db2.gz LWNRHPXBPYCRSO-ZDUSSCGKSA-N -1 1 365.839 0.853 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)nc1Cl ZINC000849447910 671347525 /nfs/dbraw/zinc/34/75/25/671347525.db2.gz WEVAVOZANLMQQS-ZDUSSCGKSA-N -1 1 365.839 0.853 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000851502699 671445591 /nfs/dbraw/zinc/44/55/91/671445591.db2.gz RFRLHZSGFMBBAH-UHFFFAOYSA-N -1 1 354.388 0.193 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cnn1C ZINC000851699278 671459778 /nfs/dbraw/zinc/45/97/78/671459778.db2.gz AZIFAFNJNYNXRW-NXEZZACHSA-N -1 1 362.308 0.465 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCCCn2ccnn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852250554 671498544 /nfs/dbraw/zinc/49/85/44/671498544.db2.gz LINRGCQWXFHDHO-MNOVXSKESA-N -1 1 362.356 0.767 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1)OC ZINC000853207356 671542685 /nfs/dbraw/zinc/54/26/85/671542685.db2.gz BCHXZCGDLFSDFO-LBPRGKRZSA-N -1 1 354.388 0.193 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856416901 671687470 /nfs/dbraw/zinc/68/74/70/671687470.db2.gz YWIPMRDBEJRTQN-KXUCPTDWSA-N -1 1 354.325 0.216 10 0 FCAEMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CCC1=O ZINC000859000253 671788377 /nfs/dbraw/zinc/78/83/77/671788377.db2.gz AFWGVJUWCGVXRP-SSDOTTSWSA-N -1 1 366.212 0.882 10 0 FCAEMM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cc(Cl)ccc1F ZINC000903541144 675941093 /nfs/dbraw/zinc/94/10/93/675941093.db2.gz SNIPHJWNMLRQIB-JTQLQIEISA-N -1 1 370.855 0.534 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCN(c2ccc3nncn3n2)C1)c1c[nH]nc1Cl ZINC000859300468 671812030 /nfs/dbraw/zinc/81/20/30/671812030.db2.gz BAVIVDBNURUYDI-MRVPVSSYSA-N -1 1 368.810 0.058 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC[S@](=O)Cc1ccccc1 ZINC000866754908 672298834 /nfs/dbraw/zinc/29/88/34/672298834.db2.gz MSEDOFLWXYRLKY-PMACEKPBSA-N -1 1 352.503 0.887 10 0 FCAEMM CN1CCN(Cc2ccccc2)[C@H](C[N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC000867536228 672333484 /nfs/dbraw/zinc/33/34/84/672333484.db2.gz SOALOFCLVAVDLJ-OAHLLOKOSA-N -1 1 374.532 0.365 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)CCn1cccn1 ZINC000867557858 672336849 /nfs/dbraw/zinc/33/68/49/672336849.db2.gz MHDLXLOMMACHQO-OAHLLOKOSA-N -1 1 367.427 0.595 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000867763097 672364777 /nfs/dbraw/zinc/36/47/77/672364777.db2.gz QDFBSHCURAZYKP-JTQLQIEISA-N -1 1 365.354 0.938 10 0 FCAEMM CO[C@H](CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000868760276 672409690 /nfs/dbraw/zinc/40/96/90/672409690.db2.gz UPOUYVPUMIIHRZ-MISXGVKJSA-N -1 1 367.368 0.890 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)C1(N2CCOCC2)CCC1 ZINC000869460968 672434049 /nfs/dbraw/zinc/43/40/49/672434049.db2.gz YHILDQGDMQLUEB-UHFFFAOYSA-N -1 1 366.336 0.422 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cccn(C3CC3)c2=O)CCC1 ZINC000870446195 672492671 /nfs/dbraw/zinc/49/26/71/672492671.db2.gz CWTGZVFTMPZYTA-UHFFFAOYSA-N -1 1 353.444 0.727 10 0 FCAEMM CCO[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C1CCOCC1 ZINC000870447620 672493109 /nfs/dbraw/zinc/49/31/09/672493109.db2.gz VKYFBYPECSGBLA-AWEZNQCLSA-N -1 1 362.492 0.748 10 0 FCAEMM COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2ncccc2[O-])CCO1 ZINC000870899959 672518330 /nfs/dbraw/zinc/51/83/30/672518330.db2.gz HWUSEWQZYHKDQM-KRWDZBQOSA-N -1 1 352.387 0.987 10 0 FCAEMM C[C@H](O)[C@H](O)CNC(=O)c1ccc(I)cc1[O-] ZINC000871122716 672529501 /nfs/dbraw/zinc/52/95/01/672529501.db2.gz KBGTTXCMQKUIID-QUBYGPBYSA-N -1 1 351.140 0.468 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000924871309 673767811 /nfs/dbraw/zinc/76/78/11/673767811.db2.gz VVGCLCCYEICUIJ-QWRGUYRKSA-N -1 1 350.400 0.859 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CC23CC(O)C3)c(Br)n1C ZINC000724987554 675450062 /nfs/dbraw/zinc/45/00/62/675450062.db2.gz UWKANLKPLCXFAL-KAIZJQOQSA-N -1 1 350.238 0.683 10 0 FCAEMM O=C(C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccc([O-])cc1 ZINC001625790902 1167849854 /nfs/dbraw/zinc/84/98/54/1167849854.db2.gz VGFMMELOYFLUKC-DZGCQCFKSA-N -1 1 367.423 0.770 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@H]1c1ccco1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001745269523 1181842208 /nfs/dbraw/zinc/84/22/08/1181842208.db2.gz YMEUIGAICWUZDL-GHMZBOCLSA-N -1 1 370.369 0.003 10 0 FCAEMM Cn1cc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2C)nn1 ZINC000828248266 1182872676 /nfs/dbraw/zinc/87/26/76/1182872676.db2.gz HXEABHKXTXQZFL-UHFFFAOYSA-N -1 1 372.355 0.506 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001745552730 1186667071 /nfs/dbraw/zinc/66/70/71/1186667071.db2.gz UOGVDPWLVZQYDM-MWLCHTKSSA-N -1 1 364.402 0.663 10 0 FCAEMM O=C(NCC[C@@H]1CCCC[C@@H]1O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687391073 1188352308 /nfs/dbraw/zinc/35/23/08/1188352308.db2.gz RFTHHVCGWWIDSW-FZMZJTMJSA-N -1 1 350.419 0.995 10 0 FCAEMM CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001687390817 1188352336 /nfs/dbraw/zinc/35/23/36/1188352336.db2.gz KSSDZPTUKUDEET-LBPRGKRZSA-N -1 1 363.418 0.265 10 0 FCAEMM COCCN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1CCOCC1 ZINC001687391274 1188352681 /nfs/dbraw/zinc/35/26/81/1188352681.db2.gz XPCXENIWBORVKG-UHFFFAOYSA-N -1 1 366.418 0.592 10 0 FCAEMM Cc1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)cc(C)c1OCC(=O)[O-] ZINC000910687693 1195833472 /nfs/dbraw/zinc/83/34/72/1195833472.db2.gz MEXISHQATMFEKI-MRXNPFEDSA-N -1 1 361.442 0.887 10 0 FCAEMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000911315088 1195937556 /nfs/dbraw/zinc/93/75/56/1195937556.db2.gz JJPQDELAJBGXNE-NRXGSXMXSA-N -1 1 361.442 0.877 10 0 FCAEMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)[N-]OCc3ccccc3)cc21 ZINC000760891352 1196527514 /nfs/dbraw/zinc/52/75/14/1196527514.db2.gz YTUDLIYDWZIWME-UHFFFAOYSA-N -1 1 353.338 0.848 10 0 FCAEMM C[C@@H]1NC(C(=O)NC2(c3nn[n-]n3)CCCC2)=NN(c2ccccc2)C1=O ZINC000735821445 1197890813 /nfs/dbraw/zinc/89/08/13/1197890813.db2.gz GXSCQELUJFVKAT-NSHDSACASA-N -1 1 368.401 0.424 10 0 FCAEMM Cn1ccnc1C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742857696 1198221169 /nfs/dbraw/zinc/22/11/69/1198221169.db2.gz HVCIIWXYRCHBPP-OAHLLOKOSA-N -1 1 367.409 0.760 10 0 FCAEMM COc1cccc([C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CCO2)c1 ZINC000766628249 1199057005 /nfs/dbraw/zinc/05/70/05/1199057005.db2.gz RTLYFLWWZJKGRP-HNNXBMFYSA-N -1 1 359.382 0.535 10 0 FCAEMM CCOC(=O)c1ccn(-c2ccccc2NC(=O)NN2CC(=O)[N-]C2=O)n1 ZINC000770446488 1200446783 /nfs/dbraw/zinc/44/67/83/1200446783.db2.gz SRHUJMOEZUKMAC-UHFFFAOYSA-N -1 1 372.341 0.637 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC000787904676 1200916920 /nfs/dbraw/zinc/91/69/20/1200916920.db2.gz ASQYTZFTALHYTM-UHFFFAOYSA-N -1 1 367.406 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000787904676 1200916927 /nfs/dbraw/zinc/91/69/27/1200916927.db2.gz ASQYTZFTALHYTM-UHFFFAOYSA-N -1 1 367.406 0.855 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1n[n-]c(C(=O)OCC)n1 ZINC000787905946 1200917224 /nfs/dbraw/zinc/91/72/24/1200917224.db2.gz JWWLMKZTBQNXDI-UHFFFAOYSA-N -1 1 355.354 0.724 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1nc(C(=O)OCC)n[n-]1 ZINC000787905946 1200917227 /nfs/dbraw/zinc/91/72/27/1200917227.db2.gz JWWLMKZTBQNXDI-UHFFFAOYSA-N -1 1 355.354 0.724 10 0 FCAEMM Cc1cc(=O)n2nc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)[n-]c2n1 ZINC000813378889 1202994264 /nfs/dbraw/zinc/99/42/64/1202994264.db2.gz UFZJOAHYIINCTP-UHFFFAOYSA-N -1 1 365.353 0.848 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCOC[C@@H]3CC3CCC3)ccnc1-2 ZINC000815885798 1203056362 /nfs/dbraw/zinc/05/63/62/1203056362.db2.gz BVINEERKKRWXQL-ZDUSSCGKSA-N -1 1 357.414 0.698 10 0 FCAEMM O=C(CCNC(=O)c1ccc([O-])cn1)N1CCN(c2ccccn2)CC1 ZINC001136478240 1203213676 /nfs/dbraw/zinc/21/36/76/1203213676.db2.gz OGROQSMMNXQTRT-UHFFFAOYSA-N -1 1 355.398 0.651 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000822332499 1203227665 /nfs/dbraw/zinc/22/76/65/1203227665.db2.gz MFWYEEWEKUUMMP-FZKQIMNGSA-N -1 1 372.381 0.618 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001143928110 1204398760 /nfs/dbraw/zinc/39/87/60/1204398760.db2.gz OXPLMEVPNLDHAF-JTQLQIEISA-N -1 1 369.385 0.394 10 0 FCAEMM Cc1oc(C(=O)NCc2nn[n-]n2)cc1CN1C(=O)c2ccccc2C1=O ZINC001143974454 1204410031 /nfs/dbraw/zinc/41/00/31/1204410031.db2.gz OKLSFPZCSCSCLQ-UHFFFAOYSA-N -1 1 366.337 0.827 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C(=O)NCCCc2ccccc2)n[n-]1 ZINC001146857222 1204747498 /nfs/dbraw/zinc/74/74/98/1204747498.db2.gz XMSMITFDRZADSI-GFCCVEGCSA-N -1 1 373.413 0.908 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C(=O)NCCCc2ccccc2)[n-]1 ZINC001146857222 1204747502 /nfs/dbraw/zinc/74/75/02/1204747502.db2.gz XMSMITFDRZADSI-GFCCVEGCSA-N -1 1 373.413 0.908 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC001146857222 1204747507 /nfs/dbraw/zinc/74/75/07/1204747507.db2.gz XMSMITFDRZADSI-GFCCVEGCSA-N -1 1 373.413 0.908 10 0 FCAEMM CCOc1ccccc1-c1cc(C(=O)[N-]NC(=O)C(=O)NC(C)C)n[nH]1 ZINC000045064343 1204835799 /nfs/dbraw/zinc/83/57/99/1204835799.db2.gz BSQKVJMZRKVDPY-UHFFFAOYSA-N -1 1 359.386 0.761 10 0 FCAEMM C[C@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)n1nnnc1C(C)(C)C ZINC001175213206 1206301603 /nfs/dbraw/zinc/30/16/03/1206301603.db2.gz CJAKQFSKLNFXII-SECBINFHSA-N -1 1 361.406 0.416 10 0 FCAEMM C[C@@H](C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)n1nnnc1C(C)(C)C ZINC001175213208 1206301718 /nfs/dbraw/zinc/30/17/18/1206301718.db2.gz CJAKQFSKLNFXII-VIFPVBQESA-N -1 1 361.406 0.416 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001175213825 1206301922 /nfs/dbraw/zinc/30/19/22/1206301922.db2.gz HGCIJLWJGXFJJK-KDOFPFPSSA-N -1 1 363.414 0.989 10 0 FCAEMM Cc1c(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)nnn1-c1ccc(C)cc1 ZINC001175552121 1206305668 /nfs/dbraw/zinc/30/56/68/1206305668.db2.gz AKRIZGXPNQVJTO-ZDUSSCGKSA-N -1 1 352.402 0.956 10 0 FCAEMM COCCOc1cc(C(=O)N[C@H](COC)c2nn[n-]n2)nc2ccccc21 ZINC001177828749 1206346846 /nfs/dbraw/zinc/34/68/46/1206346846.db2.gz QQQGYXGMRZYNOL-CQSZACIVSA-N -1 1 372.385 0.891 10 0 FCAEMM CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](Cc4nn[n-]n4)C3)cc2C1=O ZINC001177866678 1206347576 /nfs/dbraw/zinc/34/75/76/1206347576.db2.gz OVBDPEBVSKFXPP-JTQLQIEISA-N -1 1 354.370 0.520 10 0 FCAEMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177871186 1206347912 /nfs/dbraw/zinc/34/79/12/1206347912.db2.gz QMCCBHMBAJLWQW-GFCCVEGCSA-N -1 1 366.466 0.691 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCOC1CCOCC1 ZINC001178637502 1206360976 /nfs/dbraw/zinc/36/09/76/1206360976.db2.gz LGKCWCMVTGXVGC-UHFFFAOYSA-N -1 1 372.425 0.995 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CCc3nnn(C)c3C2)[n-]c1=O ZINC001180059257 1206388838 /nfs/dbraw/zinc/38/88/38/1206388838.db2.gz FNDTULQSISXCRH-CMPLNLGQSA-N -1 1 358.402 0.788 10 0 FCAEMM CC[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1CC ZINC001489983894 1209196008 /nfs/dbraw/zinc/19/60/08/1209196008.db2.gz QZHGBWJVDJNOPY-MELADBBJSA-N -1 1 364.446 0.469 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1CC ZINC001489983893 1209196011 /nfs/dbraw/zinc/19/60/11/1209196011.db2.gz QZHGBWJVDJNOPY-HZSPNIEDSA-N -1 1 364.446 0.469 10 0 FCAEMM C/C=C(\C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001489991271 1209199373 /nfs/dbraw/zinc/19/93/73/1209199373.db2.gz JYXOXWXYUSLXLY-WJHWTWHCSA-N -1 1 364.402 0.972 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)COC[C@@H]1CCOC1 ZINC001490087545 1209248806 /nfs/dbraw/zinc/24/88/06/1209248806.db2.gz IEUWWLSXJOXGQN-MCIONIFRSA-N -1 1 363.414 0.560 10 0 FCAEMM CC/C=C(/C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001490655847 1209405680 /nfs/dbraw/zinc/40/56/80/1209405680.db2.gz FIWHJGWYPKVUIX-NLBPGCASSA-N -1 1 374.441 0.531 10 0 FCAEMM COCCOCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001490783361 1209430327 /nfs/dbraw/zinc/43/03/27/1209430327.db2.gz JWQMXJQSKNMBQN-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@]45COC[C@@]4(C3)CCCC5)ccnc1-2 ZINC000850730259 1209488067 /nfs/dbraw/zinc/48/80/67/1209488067.db2.gz YDNDLZOURLPHRB-KDURUIRLSA-N -1 1 369.425 0.700 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C/c1cnccn1 ZINC000852959193 1209579976 /nfs/dbraw/zinc/57/99/76/1209579976.db2.gz XYRQENRZQFFPFO-YGEYTSGZSA-N -1 1 372.303 0.613 10 0 FCAEMM C[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@@](C)(C(F)F)O1 ZINC000854000402 1209612789 /nfs/dbraw/zinc/61/27/89/1209612789.db2.gz WDKLYVKGRFQPBU-ABKXIKBNSA-N -1 1 367.356 0.551 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000856494519 1209713701 /nfs/dbraw/zinc/71/37/01/1209713701.db2.gz KHYXITDDQBDMDJ-CQSZACIVSA-N -1 1 365.393 0.916 10 0 FCAEMM CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)ccn1 ZINC000856634738 1209721297 /nfs/dbraw/zinc/72/12/97/1209721297.db2.gz SESFZRAUGCCJLC-ZDUSSCGKSA-N -1 1 374.401 0.423 10 0 FCAEMM CN(CCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)Cc1ccco1 ZINC000868349008 1210054018 /nfs/dbraw/zinc/05/40/18/1210054018.db2.gz SCNBTTJFAKMLLL-CQSZACIVSA-N -1 1 365.430 0.883 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000777362184 1210995126 /nfs/dbraw/zinc/99/51/26/1210995126.db2.gz FSXYVJGWROOCMX-GFCCVEGCSA-N -1 1 369.381 0.630 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001296177313 1211095517 /nfs/dbraw/zinc/09/55/17/1211095517.db2.gz IZHSQTFBZNJHEG-SGTLLEGYSA-N -1 1 362.430 0.839 10 0 FCAEMM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C[C@H]1C1CC1 ZINC000926298197 1211527933 /nfs/dbraw/zinc/52/79/33/1211527933.db2.gz LTNOSRCXHWKHBE-JKSUJKDBSA-N -1 1 363.458 0.642 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000927944317 1211593938 /nfs/dbraw/zinc/59/39/38/1211593938.db2.gz YSGHBJKULZZPMH-BMFZPTHFSA-N -1 1 361.442 0.850 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927941302 1211593958 /nfs/dbraw/zinc/59/39/58/1211593958.db2.gz PLUGJKQLLZSORE-HOTGVXAUSA-N -1 1 361.442 0.994 10 0 FCAEMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)cc2)[n-]1 ZINC000928453069 1211603295 /nfs/dbraw/zinc/60/32/95/1211603295.db2.gz IEQAIJUGDGPQQC-LRDDRELGSA-N -1 1 372.425 0.704 10 0 FCAEMM C[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@H]1CN(C)CCO1 ZINC000930515322 1211711459 /nfs/dbraw/zinc/71/14/59/1211711459.db2.gz KYWCUEDOOGBEMA-MEBBXXQBSA-N -1 1 371.384 0.164 10 0 FCAEMM CN1C[C@H](CCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC000931651804 1211768047 /nfs/dbraw/zinc/76/80/47/1211768047.db2.gz BDADOZAFKZEKDG-SNVBAGLBSA-N -1 1 369.368 0.314 10 0 FCAEMM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC[C@@H](O)C4)nc3)c[n-]c-2n1 ZINC000629758465 1212575374 /nfs/dbraw/zinc/57/53/74/1212575374.db2.gz AAUIOUUGKWIWKY-GFCCVEGCSA-N -1 1 374.426 0.780 10 0 FCAEMM O=C(C=Cc1cnc2ccccc2n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798270438 1221283255 /nfs/dbraw/zinc/28/32/55/1221283255.db2.gz QKJGOMZIVGMGAN-WAYWQWQTSA-N -1 1 351.370 0.666 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cn[nH]c1 ZINC001116391033 1221359270 /nfs/dbraw/zinc/35/92/70/1221359270.db2.gz NEPVHKHPXALLLX-NSHDSACASA-N -1 1 360.418 0.860 10 0 FCAEMM C[C@@H]1CCN(c2nnc(-c3cn(C)nn3)n2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000828242574 1222397935 /nfs/dbraw/zinc/39/79/35/1222397935.db2.gz KZDRRDCQFJLWRU-BDAKNGLRSA-N -1 1 372.355 0.504 10 0 FCAEMM CCc1cc(=O)c2cc(NC(=O)CCn3cc[n-]c(=O)c3=O)ccc2[nH]1 ZINC001137923168 1222448697 /nfs/dbraw/zinc/44/86/97/1222448697.db2.gz BYXGLCGERZEZBP-UHFFFAOYSA-N -1 1 354.366 0.969 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCc3nn[n-]n3)=NO2)C1 ZINC000832223213 1222524230 /nfs/dbraw/zinc/52/42/30/1222524230.db2.gz ZQGYEJISRCINNP-OAHLLOKOSA-N -1 1 365.394 0.362 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000832228754 1222524682 /nfs/dbraw/zinc/52/46/82/1222524682.db2.gz SHKFJHGUANXKMO-SUMWQHHRSA-N -1 1 356.386 0.865 10 0 FCAEMM Cn1cc([C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C2(CO)CCC2)cn1 ZINC001141342960 1222654796 /nfs/dbraw/zinc/65/47/96/1222654796.db2.gz IWGBPPIPNUSKLO-MRXNPFEDSA-N -1 1 373.413 0.271 10 0 FCAEMM CCC[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)c1nn[n-]n1 ZINC001149121538 1222879487 /nfs/dbraw/zinc/87/94/87/1222879487.db2.gz BRZSQXWBSWGYHC-LLVKDONJSA-N -1 1 373.348 0.658 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n[n-]1 ZINC001166126625 1223267578 /nfs/dbraw/zinc/26/75/78/1223267578.db2.gz MEZGHOAVLASIOB-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)[n-]1 ZINC001166126625 1223267580 /nfs/dbraw/zinc/26/75/80/1223267580.db2.gz MEZGHOAVLASIOB-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n1 ZINC001166126625 1223267584 /nfs/dbraw/zinc/26/75/84/1223267584.db2.gz MEZGHOAVLASIOB-CABZTGNLSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)n[n-]1 ZINC001166126444 1223267935 /nfs/dbraw/zinc/26/79/35/1223267935.db2.gz LFYPKKWTPNVNMN-VIFPVBQESA-N -1 1 373.369 0.828 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[n-]1 ZINC001166126444 1223267937 /nfs/dbraw/zinc/26/79/37/1223267937.db2.gz LFYPKKWTPNVNMN-VIFPVBQESA-N -1 1 373.369 0.828 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC001166126444 1223267939 /nfs/dbraw/zinc/26/79/39/1223267939.db2.gz LFYPKKWTPNVNMN-VIFPVBQESA-N -1 1 373.369 0.828 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000847076429 1245330127 /nfs/dbraw/zinc/33/01/27/1245330127.db2.gz CTTYRBMTAGXYRZ-ZYOFXKKJSA-N -1 1 357.370 0.949 10 0 FCAEMM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001520594494 1265943503 /nfs/dbraw/zinc/94/35/03/1265943503.db2.gz PFTVZOPHOOFTNL-IRXDYDNUSA-N -1 1 370.457 0.882 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC001331356396 1266198994 /nfs/dbraw/zinc/19/89/94/1266198994.db2.gz KLKBJGYRFLMNMD-SECBINFHSA-N -1 1 374.279 0.185 10 0 FCAEMM CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C)(N2CCOCC2)CC1)C(=O)[O-] ZINC001331572868 1266238570 /nfs/dbraw/zinc/23/85/70/1266238570.db2.gz MCHQISRCDWSXPB-CQSZACIVSA-N -1 1 369.462 0.173 10 0 FCAEMM O=C(NCCc1ccc(CO)cc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235542202 1259575558 /nfs/dbraw/zinc/57/55/58/1259575558.db2.gz AXMUIGOGAHEUJC-UHFFFAOYSA-N -1 1 358.398 0.789 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001335354985 1259622382 /nfs/dbraw/zinc/62/23/82/1259622382.db2.gz WDJSTDDUMDUUIF-UHFFFAOYSA-N -1 1 357.436 0.012 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)CCOC1 ZINC001335428429 1259659917 /nfs/dbraw/zinc/65/99/17/1259659917.db2.gz DXJNXEBAPSSDFH-QAPCUYQASA-N -1 1 366.389 0.637 10 0 FCAEMM CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001335764228 1259829048 /nfs/dbraw/zinc/82/90/48/1259829048.db2.gz MLGJKTXXJGKQPI-HUUCEWRRSA-N -1 1 372.368 0.639 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001331807599 1266291252 /nfs/dbraw/zinc/29/12/52/1266291252.db2.gz OPWSONLHSYNVGT-CABCVRRESA-N -1 1 358.398 0.339 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCOC2(CCOCC2)C1 ZINC001254487408 1259885712 /nfs/dbraw/zinc/88/57/12/1259885712.db2.gz BIXPEAAJAYBODB-UHFFFAOYSA-N -1 1 364.402 0.346 10 0 FCAEMM CC(=O)NC[C@H]1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001254488227 1259886019 /nfs/dbraw/zinc/88/60/19/1259886019.db2.gz HOHXKIWPMQVDNT-GFCCVEGCSA-N -1 1 363.418 0.313 10 0 FCAEMM COc1ccc([C@H](O)CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001254490826 1259887601 /nfs/dbraw/zinc/88/76/01/1259887601.db2.gz YVVTWGZSPJVIMA-OAHLLOKOSA-N -1 1 374.397 0.796 10 0 FCAEMM CC(C)c1noc(CCC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001331883097 1266299423 /nfs/dbraw/zinc/29/94/23/1266299423.db2.gz LFALMQAAURYMAH-QGZVFWFLSA-N -1 1 366.418 0.514 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3CCC(NC(=O)C4CC4)CC3)nc2n1 ZINC001261779311 1260188210 /nfs/dbraw/zinc/18/82/10/1260188210.db2.gz HRSSVXYAUBSFDG-UHFFFAOYSA-N -1 1 358.402 0.750 10 0 FCAEMM CC(C)c1noc2ncc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc21 ZINC001332069440 1266328488 /nfs/dbraw/zinc/32/84/88/1266328488.db2.gz OIUNUCBSKDSHRR-UHFFFAOYSA-N -1 1 357.374 0.983 10 0 FCAEMM O=C(NCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266227633 1260423982 /nfs/dbraw/zinc/42/39/82/1260423982.db2.gz TXXVKSDOZDGCLS-ULSDXFBPSA-N -1 1 361.446 0.795 10 0 FCAEMM CNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001522149353 1266373960 /nfs/dbraw/zinc/37/39/60/1266373960.db2.gz IKBNCSREBSTBCL-WXHSDQCUSA-N -1 1 373.413 0.057 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001281308594 1261108724 /nfs/dbraw/zinc/10/87/24/1261108724.db2.gz AXJVNHZOCUXPDJ-LNSITVRQSA-N -1 1 365.430 0.852 10 0 FCAEMM CC/C=C(/C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001282327182 1261413089 /nfs/dbraw/zinc/41/30/89/1261413089.db2.gz MGANJIBACXPREL-YCYRZOEZSA-N -1 1 362.430 0.389 10 0 FCAEMM COC(=O)c1cccc2c1OCCN(C(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001472175626 1261447131 /nfs/dbraw/zinc/44/71/31/1261447131.db2.gz LYVWXTDOAVJPRQ-UHFFFAOYSA-N -1 1 373.365 0.135 10 0 FCAEMM CS(=O)(=O)c1cc(C(=O)[N-]N2CC(=O)NC2=O)c(Cl)cc1Cl ZINC001472486055 1261471151 /nfs/dbraw/zinc/47/11/51/1261471151.db2.gz IGUXJFPXBZBIMV-UHFFFAOYSA-N -1 1 366.182 0.594 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001282722357 1261597919 /nfs/dbraw/zinc/59/79/19/1261597919.db2.gz RVDSUOLMERYRLI-LPXCTLEWSA-N -1 1 370.413 0.636 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](C)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001285779975 1261877450 /nfs/dbraw/zinc/87/74/50/1261877450.db2.gz HPLKDZGWRJGDTE-VHCOLVSPSA-N -1 1 364.402 0.663 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001287838412 1261987771 /nfs/dbraw/zinc/98/77/71/1261987771.db2.gz MGOGQHJHXBQOTB-JHJVBQTASA-N -1 1 362.430 0.703 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001288129639 1262004102 /nfs/dbraw/zinc/00/41/02/1262004102.db2.gz NEVQILSZSLVAIW-KGYLQXTDSA-N -1 1 362.430 0.655 10 0 FCAEMM NC(=O)CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001288997181 1262063889 /nfs/dbraw/zinc/06/38/89/1262063889.db2.gz DODOAFOBYPKXJZ-QWHCGFSZSA-N -1 1 360.414 0.506 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001289283152 1262162612 /nfs/dbraw/zinc/16/26/12/1262162612.db2.gz RICCHYJBGSRQBO-ZWNOBZJWSA-N -1 1 362.430 0.797 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCCF)C1 ZINC001290195791 1262398895 /nfs/dbraw/zinc/39/88/95/1262398895.db2.gz UUOKLZFBDGDVQC-VHSXEESVSA-N -1 1 370.381 0.661 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1C(=O)c1ncccc1[O-] ZINC001290390375 1262435217 /nfs/dbraw/zinc/43/52/17/1262435217.db2.gz KYTIJAWVPBHNAZ-QWHCGFSZSA-N -1 1 358.402 0.578 10 0 FCAEMM O=C(NCCNC(=O)[C@@H]1CCO[C@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001292759913 1262700747 /nfs/dbraw/zinc/70/07/47/1262700747.db2.gz ZIUJZMWJTDOMTJ-OCCSQVGLSA-N -1 1 360.414 0.721 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001294304330 1262729580 /nfs/dbraw/zinc/72/95/80/1262729580.db2.gz DYLGMUAZSQBSRY-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM COC(=O)[C@H](COC1CCC1)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001295019677 1262755129 /nfs/dbraw/zinc/75/51/29/1262755129.db2.gz JLNQSNPGDPXVCR-LBPRGKRZSA-N -1 1 365.386 0.086 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CCCn4ncnc43)CC2)n1 ZINC001297216913 1262854403 /nfs/dbraw/zinc/85/44/03/1262854403.db2.gz BPCBDXGFAAXXFU-LBPRGKRZSA-N -1 1 373.417 0.857 10 0 FCAEMM CCC(CC)(NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1nn[n-]n1 ZINC001297487267 1262873046 /nfs/dbraw/zinc/87/30/46/1262873046.db2.gz GSLUEUQPVMBQFV-UHFFFAOYSA-N -1 1 371.401 0.697 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)C(C)C ZINC001297987416 1262903656 /nfs/dbraw/zinc/90/36/56/1262903656.db2.gz FYJGUSDXYUYMGZ-MCIONIFRSA-N -1 1 364.446 0.230 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001298659206 1262935536 /nfs/dbraw/zinc/93/55/36/1262935536.db2.gz REAYSQJUGAHOPW-OPRDCNLKSA-N -1 1 366.418 0.813 10 0 FCAEMM COCCN1CCC[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1 ZINC001299737689 1262977534 /nfs/dbraw/zinc/97/75/34/1262977534.db2.gz YIORJXUUKAGFSW-ZDUSSCGKSA-N -1 1 361.402 0.107 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001299913843 1262980220 /nfs/dbraw/zinc/98/02/20/1262980220.db2.gz COMXTSMMZGLQCL-MRXNPFEDSA-N -1 1 366.381 0.219 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](N2CCCCC2=O)C1 ZINC001302116135 1263032912 /nfs/dbraw/zinc/03/29/12/1263032912.db2.gz LCNDCYKSXXOIIF-ZDUSSCGKSA-N -1 1 360.414 0.521 10 0 FCAEMM COc1ccn2c(c1)ncc2C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302841226 1263061409 /nfs/dbraw/zinc/06/14/09/1263061409.db2.gz BXLGISCDOBFZOS-UHFFFAOYSA-N -1 1 355.354 0.841 10 0 FCAEMM O=C(Cn1ncc2ccccc2c1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302843491 1263063254 /nfs/dbraw/zinc/06/32/54/1263063254.db2.gz SNGQCYFLMGTLBZ-UHFFFAOYSA-N -1 1 367.365 0.281 10 0 FCAEMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@H](c3nn[n-]n3)C1)C2=O ZINC001302935521 1263065853 /nfs/dbraw/zinc/06/58/53/1263065853.db2.gz ASFWNKRJBNOVJY-GDLVEWKHSA-N -1 1 361.406 0.016 10 0 FCAEMM Cn1nc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1NC(=O)OC(C)(C)C ZINC001302936924 1263065974 /nfs/dbraw/zinc/06/59/74/1263065974.db2.gz KVMQSHFRDNMPGB-SECBINFHSA-N -1 1 362.394 0.910 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001478328895 1263130286 /nfs/dbraw/zinc/13/02/86/1263130286.db2.gz PRMYJJCKNOZXEV-GTNSWQLSSA-N -1 1 364.402 0.392 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1Cc2cccc(O)c2C1 ZINC001478433512 1263132917 /nfs/dbraw/zinc/13/29/17/1263132917.db2.gz PWEAICIFDXSGGY-LLVKDONJSA-N -1 1 356.382 0.927 10 0 FCAEMM Cc1cc(CN2CC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C)no1 ZINC001316796158 1263485139 /nfs/dbraw/zinc/48/51/39/1263485139.db2.gz QMVQFESVJYJUBY-OCCSQVGLSA-N -1 1 361.402 0.002 10 0 FCAEMM C[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001494852013 1263789364 /nfs/dbraw/zinc/78/93/64/1263789364.db2.gz IFJZMYQQTJWHAO-LJISPDSOSA-N -1 1 374.441 0.150 10 0 FCAEMM O=C(c1cccnc1)N1CCC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC001320367570 1263790311 /nfs/dbraw/zinc/79/03/11/1263790311.db2.gz SZTUOSXQGWMPJS-OAHLLOKOSA-N -1 1 369.429 0.853 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1C[C@H](O)C2(CC2)C1 ZINC001320472343 1263798501 /nfs/dbraw/zinc/79/85/01/1263798501.db2.gz ZFXGSJHJMUTIIU-AWEZNQCLSA-N -1 1 362.430 0.243 10 0 FCAEMM O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)c1 ZINC001321393844 1263951800 /nfs/dbraw/zinc/95/18/00/1263951800.db2.gz UBPARPXGYBURHE-FZKQIMNGSA-N -1 1 357.366 0.229 10 0 FCAEMM C[C@@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001498340644 1263969928 /nfs/dbraw/zinc/96/99/28/1263969928.db2.gz KJAJPAFQFNKBKH-ODRUYCQJSA-N -1 1 371.441 0.383 10 0 FCAEMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001500637338 1264076375 /nfs/dbraw/zinc/07/63/75/1264076375.db2.gz UDGXGIOWHTZBTO-XQQFMLRXSA-N -1 1 360.414 0.410 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)Cc1cc[nH]n1 ZINC001322752647 1264255790 /nfs/dbraw/zinc/25/57/90/1264255790.db2.gz QJLSFRZHWXHBRF-UHFFFAOYSA-N -1 1 360.418 0.642 10 0 FCAEMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001508032015 1264391776 /nfs/dbraw/zinc/39/17/76/1264391776.db2.gz TWEQYWSVQFJLBB-WZRBSPASSA-N -1 1 361.450 0.668 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001327444501 1265323795 /nfs/dbraw/zinc/32/37/95/1265323795.db2.gz IVJHWTSJZJACGC-GFCCVEGCSA-N -1 1 364.402 0.191 10 0 FCAEMM COCCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001514362320 1265341952 /nfs/dbraw/zinc/34/19/52/1265341952.db2.gz LIQIMYOPEKJOKA-ZIAGYGMSSA-N -1 1 365.430 0.998 10 0 FCAEMM Cn1ncc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])n1 ZINC001522341958 1266501655 /nfs/dbraw/zinc/50/16/55/1266501655.db2.gz OPEGTFFYJAPJKU-MCIONIFRSA-N -1 1 370.413 0.410 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCC[C@@H](C)[S@@](C)=O ZINC001333519750 1266621680 /nfs/dbraw/zinc/62/16/80/1266621680.db2.gz CLUONGOYGSTPJQ-SSINHNECSA-N -1 1 362.455 0.956 10 0 FCAEMM COc1ccc(OC)c(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001333622735 1266654378 /nfs/dbraw/zinc/65/43/78/1266654378.db2.gz QDRHNUNTDJRBDK-PIGZYNQJSA-N -1 1 350.371 0.675 10 0 FCAEMM COCc1nnc2n1CCN(C(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)C2 ZINC001527751562 1266921636 /nfs/dbraw/zinc/92/16/36/1266921636.db2.gz ZTTCWCRLSZOAGG-UHFFFAOYSA-N -1 1 371.401 0.375 10 0 FCAEMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528206032 1266952915 /nfs/dbraw/zinc/95/29/15/1266952915.db2.gz UGTKJZSEQBRGHF-PHIMTYICSA-N -1 1 356.382 0.951 10 0 FCAEMM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001528879831 1267003198 /nfs/dbraw/zinc/00/31/98/1267003198.db2.gz OYWOQWYMPVGBDR-UWVGGRQHSA-N -1 1 360.340 0.534 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@]3(CC(C)C)CCNC3=O)nc2n1 ZINC001534155316 1267251007 /nfs/dbraw/zinc/25/10/07/1267251007.db2.gz YYEWAZRFYFVLOX-KRWDZBQOSA-N -1 1 360.418 0.861 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC001540698104 1267460096 /nfs/dbraw/zinc/46/00/96/1267460096.db2.gz BUKDHHFCOQFNTI-UHFFFAOYSA-N -1 1 361.398 0.723 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC001543062896 1267521912 /nfs/dbraw/zinc/52/19/12/1267521912.db2.gz HZKCASXPTFKVBG-QWHCGFSZSA-N -1 1 353.444 0.440 10 0 FCAEMM CSc1ncc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(=O)[n-]1 ZINC001543784786 1267560967 /nfs/dbraw/zinc/56/09/67/1267560967.db2.gz VOJWTEGKRIHRGM-HNNXBMFYSA-N -1 1 370.500 0.842 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001546037703 1267632901 /nfs/dbraw/zinc/63/29/01/1267632901.db2.gz NXPTYBDAMLRLEH-TXNVCOODSA-N -1 1 354.370 0.950 10 0 FCAEMM CC[S@@](=O)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001339064087 1268160575 /nfs/dbraw/zinc/16/05/75/1268160575.db2.gz VVBKGPFUAQFIMJ-RUZDIDTESA-N -1 1 370.475 0.145 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001556102998 1268813065 /nfs/dbraw/zinc/81/30/65/1268813065.db2.gz CKOLRESQYSJINI-AXFHLTTASA-N -1 1 354.411 0.444 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC001556563184 1268866355 /nfs/dbraw/zinc/86/63/55/1268866355.db2.gz JKKBEBHLNRGFGV-ANRSDYALSA-N -1 1 365.415 0.372 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCn2c(C)csc2=O)n[n-]1 ZINC001557439207 1268946997 /nfs/dbraw/zinc/94/69/97/1268946997.db2.gz BCDDHVBSAZJZNI-SECBINFHSA-N -1 1 353.404 0.781 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCn2c(C)csc2=O)[n-]1 ZINC001557439207 1268947004 /nfs/dbraw/zinc/94/70/04/1268947004.db2.gz BCDDHVBSAZJZNI-SECBINFHSA-N -1 1 353.404 0.781 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCn2c(C)csc2=O)n1 ZINC001557439207 1268947017 /nfs/dbraw/zinc/94/70/17/1268947017.db2.gz BCDDHVBSAZJZNI-SECBINFHSA-N -1 1 353.404 0.781 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001557457113 1268948639 /nfs/dbraw/zinc/94/86/39/1268948639.db2.gz XWXSXWDZLGUUHZ-ZJUUUORDSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001557457113 1268948654 /nfs/dbraw/zinc/94/86/54/1268948654.db2.gz XWXSXWDZLGUUHZ-ZJUUUORDSA-N -1 1 369.447 0.860 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001557457113 1268948656 /nfs/dbraw/zinc/94/86/56/1268948656.db2.gz XWXSXWDZLGUUHZ-ZJUUUORDSA-N -1 1 369.447 0.860 10 0 FCAEMM C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001558025607 1269003798 /nfs/dbraw/zinc/00/37/98/1269003798.db2.gz QEXRUMBUIBJRJE-GFCCVEGCSA-N -1 1 365.312 0.139 10 0 FCAEMM Cn1cc(-c2nn(C)cc2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001558049525 1269012541 /nfs/dbraw/zinc/01/25/41/1269012541.db2.gz TWDTYOVFKTZALY-UHFFFAOYSA-N -1 1 369.385 0.319 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001558049390 1269012808 /nfs/dbraw/zinc/01/28/08/1269012808.db2.gz SEZHZAFIHMWYJW-NSCUHMNNSA-N -1 1 369.381 0.339 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1(c2nn[n-]n2)CCC1 ZINC001558173273 1269044684 /nfs/dbraw/zinc/04/46/84/1269044684.db2.gz JIRVLCFGNPEHNV-NHCYSSNCSA-N -1 1 365.463 0.421 10 0 FCAEMM CS(=O)(=O)c1ccccc1CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001558345797 1269073729 /nfs/dbraw/zinc/07/37/29/1269073729.db2.gz HZFRBRVDCSWIIE-GFCCVEGCSA-N -1 1 363.443 0.627 10 0 FCAEMM Cn1nccc1[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001558516020 1269104343 /nfs/dbraw/zinc/10/43/43/1269104343.db2.gz JBBFAETZKIZVLB-NSHDSACASA-N -1 1 370.431 0.553 10 0 FCAEMM CCOC(=O)c1cccc2nc(NC(=O)C3=NN(CCO)C(=O)CC3)[nH]c21 ZINC001558740357 1269136080 /nfs/dbraw/zinc/13/60/80/1269136080.db2.gz YWWJWNQSGUOBKE-UHFFFAOYSA-N -1 1 373.369 0.649 10 0 FCAEMM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc3n[n-]c(=S)n3c2)[nH]1 ZINC001558820100 1269144162 /nfs/dbraw/zinc/14/41/62/1269144162.db2.gz SWQYYLAAMDOVQW-ZJUUUORDSA-N -1 1 359.415 0.647 10 0 FCAEMM COC(=O)/C=C/[C@@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001558833190 1269147645 /nfs/dbraw/zinc/14/76/45/1269147645.db2.gz AGVMDTNWNBXKNW-SGUJLRQBSA-N -1 1 356.382 0.917 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001564983595 1269446885 /nfs/dbraw/zinc/44/68/85/1269446885.db2.gz ULAXCIJGORILJP-JTQLQIEISA-N -1 1 363.374 0.037 10 0 FCAEMM COC(=O)C[C@H](C)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001566251808 1269625300 /nfs/dbraw/zinc/62/53/00/1269625300.db2.gz PJFVORSPQDOUET-JTQLQIEISA-N -1 1 354.432 0.614 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001567016526 1269674069 /nfs/dbraw/zinc/67/40/69/1269674069.db2.gz HJILJSCAOZZOQA-NWANDNLSSA-N -1 1 359.430 0.925 10 0 FCAEMM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001569485958 1269787586 /nfs/dbraw/zinc/78/75/86/1269787586.db2.gz LFBUZEXBZRVZKC-HNNXBMFYSA-N -1 1 360.414 0.280 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001570204692 1269848900 /nfs/dbraw/zinc/84/89/00/1269848900.db2.gz AKOUEBCULSKNAX-QWRGUYRKSA-N -1 1 368.440 0.046 10 0 FCAEMM CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001572670378 1270104959 /nfs/dbraw/zinc/10/49/59/1270104959.db2.gz LXKFYARYWQKKDG-XUJVJEKNSA-N -1 1 351.403 0.558 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C2(C)CC2)C1 ZINC001344282472 1270130223 /nfs/dbraw/zinc/13/02/23/1270130223.db2.gz LQXDZSWEKYSWKB-VHSXEESVSA-N -1 1 364.402 0.711 10 0 FCAEMM CC(C)(C)OC(=O)c1cnc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cn1 ZINC001344706467 1270226715 /nfs/dbraw/zinc/22/67/15/1270226715.db2.gz LWORWPHRQZWIPK-NSHDSACASA-N -1 1 361.362 0.159 10 0 FCAEMM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001573272903 1270727262 /nfs/dbraw/zinc/72/72/62/1270727262.db2.gz YMOJLXCIAPNDSE-RWMBFGLXSA-N -1 1 362.430 0.811 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001573481235 1270789746 /nfs/dbraw/zinc/78/97/46/1270789746.db2.gz YGHMIPRVDMPFPM-XJMUJKMXSA-N -1 1 364.402 0.972 10 0 FCAEMM O=C(NCC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001574291693 1271168522 /nfs/dbraw/zinc/16/85/22/1271168522.db2.gz BDIUZOBKNPSLSK-UTLUCORTSA-N -1 1 368.340 0.030 10 0 FCAEMM CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001574575144 1271371216 /nfs/dbraw/zinc/37/12/16/1271371216.db2.gz VLKBYSFCRAVQNB-WZRBSPASSA-N -1 1 372.429 0.716 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001716021363 1287368672 /nfs/dbraw/zinc/36/86/72/1287368672.db2.gz FNXSNRSBVOIYIU-AHIWAGSCSA-N -1 1 361.446 0.774 10 0 FCAEMM CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)c1ncccc1[O-] ZINC001581421796 1279916229 /nfs/dbraw/zinc/91/62/29/1279916229.db2.gz IFYCPQOCHZQGFX-OLZOCXBDSA-N -1 1 362.430 0.657 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001582567860 1281753445 /nfs/dbraw/zinc/75/34/45/1281753445.db2.gz JHMMMUWAMOAGDH-KXUCPTDWSA-N -1 1 352.391 0.567 10 0 FCAEMM COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)CCc1nn[n-]n1 ZINC001583783279 1282111542 /nfs/dbraw/zinc/11/15/42/1282111542.db2.gz WDIVFTSIGUVPOP-UHFFFAOYSA-N -1 1 363.374 0.351 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC001584274808 1282149304 /nfs/dbraw/zinc/14/93/04/1282149304.db2.gz QJSNYPYYBRDSQL-UHFFFAOYSA-N -1 1 353.386 0.598 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001584380037 1282152948 /nfs/dbraw/zinc/15/29/48/1282152948.db2.gz SXIZPUDOOLZDMW-BFHYXJOUSA-N -1 1 364.446 0.230 10 0 FCAEMM CCO[C@@H]1CN(C(=O)CCc2nn[n-]n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001632096667 1282155173 /nfs/dbraw/zinc/15/51/73/1282155173.db2.gz XDACGNPJOBAXCP-VXGBXAGGSA-N -1 1 368.438 0.521 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@@H](C)c2n[n-]c(C(=O)OCC)n2)cn1 ZINC001632567100 1282187574 /nfs/dbraw/zinc/18/75/74/1282187574.db2.gz BTCVLLXIRLQEFM-JTQLQIEISA-N -1 1 350.379 0.705 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@@H](C)c2nnc(C(=O)OCC)[n-]2)cn1 ZINC001632567100 1282187580 /nfs/dbraw/zinc/18/75/80/1282187580.db2.gz BTCVLLXIRLQEFM-JTQLQIEISA-N -1 1 350.379 0.705 10 0 FCAEMM CCOCCn1cc(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[n-]2)cn1 ZINC001632567100 1282187586 /nfs/dbraw/zinc/18/75/86/1282187586.db2.gz BTCVLLXIRLQEFM-JTQLQIEISA-N -1 1 350.379 0.705 10 0 FCAEMM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001632767877 1282206289 /nfs/dbraw/zinc/20/62/89/1282206289.db2.gz WSBCDTLIHAHKMZ-CYBMUJFWSA-N -1 1 351.355 0.938 10 0 FCAEMM Nc1c(F)cc(Br)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001632776813 1282206425 /nfs/dbraw/zinc/20/64/25/1282206425.db2.gz ZWEBPVPTGLDRSQ-VIFPVBQESA-N -1 1 371.170 0.897 10 0 FCAEMM CSCC[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)c1nn[n-]n1 ZINC001585197379 1282212690 /nfs/dbraw/zinc/21/26/90/1282212690.db2.gz VTWDBNTXLHDPNF-NSHDSACASA-N -1 1 352.395 0.566 10 0 FCAEMM O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001585949689 1282258972 /nfs/dbraw/zinc/25/89/72/1282258972.db2.gz DJROFDQEVZRIDU-UHFFFAOYSA-N -1 1 370.365 0.971 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001633670158 1282264300 /nfs/dbraw/zinc/26/43/00/1282264300.db2.gz PLQNFDFWYDGEFU-JQWIXIFHSA-N -1 1 354.432 0.507 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)O1 ZINC001633714890 1282269516 /nfs/dbraw/zinc/26/95/16/1282269516.db2.gz DILHVDXAJLGHBN-SDDRHHMPSA-N -1 1 353.375 0.982 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001634405926 1282327643 /nfs/dbraw/zinc/32/76/43/1282327643.db2.gz HUHOAMBQRYOPJS-JTQLQIEISA-N -1 1 354.325 0.218 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC001634847842 1282360029 /nfs/dbraw/zinc/36/00/29/1282360029.db2.gz GLLKUZODPZXUJH-JTQLQIEISA-N -1 1 352.416 0.289 10 0 FCAEMM CCC[C@@H](NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001587598058 1282367542 /nfs/dbraw/zinc/36/75/42/1282367542.db2.gz PGQMPMWPIATUBO-IONNQARKSA-N -1 1 369.476 0.822 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001587636223 1282371417 /nfs/dbraw/zinc/37/14/17/1282371417.db2.gz KIUVNOIMRIGEIL-KRWDZBQOSA-N -1 1 364.402 0.739 10 0 FCAEMM Nc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1OC(F)(F)F ZINC001635091490 1282379055 /nfs/dbraw/zinc/37/90/55/1282379055.db2.gz YMDZULQQHRKRRP-SECBINFHSA-N -1 1 358.280 0.894 10 0 FCAEMM O=C(CCNC(=O)c1cccs1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588027292 1282398623 /nfs/dbraw/zinc/39/86/23/1282398623.db2.gz FJOQYRSAFDZASX-UHFFFAOYSA-N -1 1 362.411 0.753 10 0 FCAEMM C[C@@H](Sc1nc(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cs1)C(N)=O ZINC001588221638 1282408486 /nfs/dbraw/zinc/40/84/86/1282408486.db2.gz OWXJLUZMVAKKER-HTQZYQBOSA-N -1 1 367.460 0.181 10 0 FCAEMM O=C(CCc1nc(-c2ccncc2)no1)N1CCC(c2nn[n-]n2)CC1 ZINC001636174707 1282468052 /nfs/dbraw/zinc/46/80/52/1282468052.db2.gz PSWYBZDCMWYTPP-UHFFFAOYSA-N -1 1 354.374 0.984 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(-c2nc[nH]n2)c1 ZINC001636321563 1282485673 /nfs/dbraw/zinc/48/56/73/1282485673.db2.gz FWMYHWFWLRLZFA-UHFFFAOYSA-N -1 1 352.354 0.970 10 0 FCAEMM COc1ccc(-c2cc(C(=O)[N-]N3CC(=O)N(C)C3=O)n[nH]2)c(OC)c1 ZINC001636525539 1282511786 /nfs/dbraw/zinc/51/17/86/1282511786.db2.gz DABSEKIMDHECNS-UHFFFAOYSA-N -1 1 359.342 0.633 10 0 FCAEMM CS(=O)(=O)c1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1F ZINC001636660955 1282525875 /nfs/dbraw/zinc/52/58/75/1282525875.db2.gz CJRYZGRQCPIXQG-UHFFFAOYSA-N -1 1 355.347 0.108 10 0 FCAEMM C[NH+](C)CCn1nccc1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001636715666 1282531764 /nfs/dbraw/zinc/53/17/64/1282531764.db2.gz NUUQMBIDJOTGEH-UHFFFAOYSA-N -1 1 357.374 0.277 10 0 FCAEMM CNC(=O)Cn1nc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)cc1C ZINC001637792512 1282626166 /nfs/dbraw/zinc/62/61/66/1282626166.db2.gz BLHQEOYQPSHFIA-UHFFFAOYSA-N -1 1 362.390 0.868 10 0 FCAEMM COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001637889505 1282633670 /nfs/dbraw/zinc/63/36/70/1282633670.db2.gz AEFLGOCMZFLSTM-AOOOYVTPSA-N -1 1 350.375 0.348 10 0 FCAEMM CSCc1n[nH]c(CNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)n1 ZINC001638518210 1282703765 /nfs/dbraw/zinc/70/37/65/1282703765.db2.gz FAFKAFXFBMQSBH-UHFFFAOYSA-N -1 1 374.430 0.484 10 0 FCAEMM CSCc1nnc(CNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)[nH]1 ZINC001638518210 1282703770 /nfs/dbraw/zinc/70/37/70/1282703770.db2.gz FAFKAFXFBMQSBH-UHFFFAOYSA-N -1 1 374.430 0.484 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C[C@H]1c1ccccc1 ZINC001639431720 1282786263 /nfs/dbraw/zinc/78/62/63/1282786263.db2.gz BRSVFGRARKVWPH-SCLBCKFNSA-N -1 1 371.397 0.357 10 0 FCAEMM C[C@]1(C[C@@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)NC(=O)NC1=O ZINC001640483781 1282865981 /nfs/dbraw/zinc/86/59/81/1282865981.db2.gz SAWMLOXSXHEBHZ-DYZYQPBXSA-N -1 1 359.386 0.652 10 0 FCAEMM COC(=O)c1cnc(CC2CCN(C(=O)CCc3nn[n-]n3)CC2)s1 ZINC001589543469 1282905321 /nfs/dbraw/zinc/90/53/21/1282905321.db2.gz WZBWIAMEDXUPIO-UHFFFAOYSA-N -1 1 364.431 0.857 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)n[n-]1 ZINC001641468068 1282953872 /nfs/dbraw/zinc/95/38/72/1282953872.db2.gz PIOQDPOLRXVEET-JTQLQIEISA-N -1 1 351.407 0.635 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)n1 ZINC001641468068 1282953882 /nfs/dbraw/zinc/95/38/82/1282953882.db2.gz PIOQDPOLRXVEET-JTQLQIEISA-N -1 1 351.407 0.635 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)o1 ZINC001641891992 1282979044 /nfs/dbraw/zinc/97/90/44/1282979044.db2.gz ZKWVGBATWSNWFA-RISCZKNCSA-N -1 1 360.432 0.220 10 0 FCAEMM COc1ccc([C@@H](CC(=O)N2CCOC[C@H]2c2nn[n-]n2)NC(C)=O)cc1 ZINC001642263554 1282994946 /nfs/dbraw/zinc/99/49/46/1282994946.db2.gz HGSHSRNAZWALGH-CABCVRRESA-N -1 1 374.401 0.376 10 0 FCAEMM CCOC(CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)OCC ZINC001680191267 1283401074 /nfs/dbraw/zinc/40/10/74/1283401074.db2.gz HWBDPUBUCSVYEL-UHFFFAOYSA-N -1 1 354.407 0.843 10 0 FCAEMM COC(=O)CCNC(=O)CCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001683295190 1283932739 /nfs/dbraw/zinc/93/27/39/1283932739.db2.gz OVKQYQQXTGCHHF-UHFFFAOYSA-N -1 1 373.356 0.582 10 0 FCAEMM CN(C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H](CO)Cc1ccccc1 ZINC001683595438 1284053312 /nfs/dbraw/zinc/05/33/12/1284053312.db2.gz XYJHPKMVIJRQPC-CQSZACIVSA-N -1 1 372.425 1.000 10 0 FCAEMM O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001702541437 1285711655 /nfs/dbraw/zinc/71/16/55/1285711655.db2.gz FMLGYVGDWFOBPZ-YNEHKIRRSA-N -1 1 360.414 0.471 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CNC(=O)C1CCC1 ZINC001702690223 1285788356 /nfs/dbraw/zinc/78/83/56/1285788356.db2.gz CJOMHCIOZPVJSX-YPMHNXCESA-N -1 1 360.414 0.423 10 0 FCAEMM COCCOCC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001702763276 1285839359 /nfs/dbraw/zinc/83/93/59/1285839359.db2.gz ZWIPTJLQDOUZKJ-SCLBCKFNSA-N -1 1 363.414 0.371 10 0 FCAEMM C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001702834950 1285927596 /nfs/dbraw/zinc/92/75/96/1285927596.db2.gz ATPBHIHWTBLKRC-GRYCIOLGSA-N -1 1 363.418 0.058 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001702909752 1285985772 /nfs/dbraw/zinc/98/57/72/1285985772.db2.gz RVDSUOLMERYRLI-GYIFJTERSA-N -1 1 370.413 0.636 10 0 FCAEMM CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001703024317 1286058830 /nfs/dbraw/zinc/05/88/30/1286058830.db2.gz FXDCZXJAVGCCDI-UGSOOPFHSA-N -1 1 362.430 0.224 10 0 FCAEMM O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595941092 1286273511 /nfs/dbraw/zinc/27/35/11/1286273511.db2.gz JISDIEPMGLJLBC-OAHLLOKOSA-N -1 1 356.430 0.730 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]4CC[C@@H](C3)S4(=O)=O)nc2n1 ZINC001596088370 1286284896 /nfs/dbraw/zinc/28/48/96/1286284896.db2.gz UPICXYJJEZGDRW-OWUUHHOZSA-N -1 1 351.388 0.020 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])O2 ZINC001596518125 1286306087 /nfs/dbraw/zinc/30/60/87/1286306087.db2.gz MTDCAXAEKNJRFX-SJBDTSRBSA-N -1 1 363.414 0.606 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC001596518676 1286306323 /nfs/dbraw/zinc/30/63/23/1286306323.db2.gz QUNVMNYOWSADDD-ZESJGQACSA-N -1 1 353.375 0.599 10 0 FCAEMM NS(=O)(=O)c1cc(C(=O)NCCc2c(F)cc([O-])cc2F)ccn1 ZINC001597409881 1286343355 /nfs/dbraw/zinc/34/33/55/1286343355.db2.gz OCDHSFYXCAKISI-UHFFFAOYSA-N -1 1 357.338 0.685 10 0 FCAEMM CN(CCOCCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001707231404 1287080772 /nfs/dbraw/zinc/08/07/72/1287080772.db2.gz WRGURGSSYBSTRE-ZIAGYGMSSA-N -1 1 367.494 0.697 10 0 FCAEMM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C(F)(F)F ZINC001719304942 1288073880 /nfs/dbraw/zinc/07/38/80/1288073880.db2.gz VQTPGDWYMKPIEQ-NGZCFLSTSA-N -1 1 361.320 0.677 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H](C)OCCOC ZINC001719540291 1288172515 /nfs/dbraw/zinc/17/25/15/1288172515.db2.gz XDHCPBVFLCAXGF-HZSPNIEDSA-N -1 1 365.430 0.948 10 0 FCAEMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001725972282 1288482344 /nfs/dbraw/zinc/48/23/44/1288482344.db2.gz MOVKJUPBLGAMQT-YNEHKIRRSA-N -1 1 357.414 0.901 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001733916920 1288636676 /nfs/dbraw/zinc/63/66/76/1288636676.db2.gz WRBRSDFNVNUGNQ-ZIAGYGMSSA-N -1 1 365.478 0.234 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccccc2N2CCOCC2)n[n-]1 ZINC001611155176 1289634196 /nfs/dbraw/zinc/63/41/96/1289634196.db2.gz YDGLBBPGODPRCD-UHFFFAOYSA-N -1 1 359.386 0.748 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccccc2N2CCOCC2)n1 ZINC001611155176 1289634206 /nfs/dbraw/zinc/63/42/06/1289634206.db2.gz YDGLBBPGODPRCD-UHFFFAOYSA-N -1 1 359.386 0.748 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cn1 ZINC001611212259 1289637321 /nfs/dbraw/zinc/63/73/21/1289637321.db2.gz OAQPAWZYNQGOAT-CQSZACIVSA-N -1 1 368.459 0.436 10 0 FCAEMM O=C(CN1C(=O)CCC1=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001611201411 1289637399 /nfs/dbraw/zinc/63/73/99/1289637399.db2.gz XIMWYARKHPIMJK-ZDUSSCGKSA-N -1 1 366.740 0.347 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001738491732 1289693182 /nfs/dbraw/zinc/69/31/82/1289693182.db2.gz FNDDSNFIUCJJSH-XCUNLHGCSA-N -1 1 355.398 0.727 10 0 FCAEMM O=C(C[C@H]1CCC2(CCOCC2)CO1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616141711 1289768311 /nfs/dbraw/zinc/76/83/11/1289768311.db2.gz CYCHHYXOMWUJFC-OLZOCXBDSA-N -1 1 351.407 0.466 10 0 FCAEMM CC(C)n1cc(Br)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)n1 ZINC001616141694 1289768429 /nfs/dbraw/zinc/76/84/29/1289768429.db2.gz CKZURXOMOITNET-VIFPVBQESA-N -1 1 370.211 0.953 10 0 FCAEMM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616141713 1289769426 /nfs/dbraw/zinc/76/94/26/1289769426.db2.gz CYCHHYXOMWUJFC-STQMWFEESA-N -1 1 351.407 0.466 10 0 FCAEMM CC[C@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001702168655 1289778030 /nfs/dbraw/zinc/77/80/30/1289778030.db2.gz BSQWCGBAABTDHT-CKYFFXLPSA-N -1 1 357.357 0.770 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[nH]n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001617641944 1289852984 /nfs/dbraw/zinc/85/29/84/1289852984.db2.gz HVJCNCCDMXOKPA-GARJFASQSA-N -1 1 366.447 0.459 10 0 FCAEMM CSCC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001617641944 1289852998 /nfs/dbraw/zinc/85/29/98/1289852998.db2.gz HVJCNCCDMXOKPA-GARJFASQSA-N -1 1 366.447 0.459 10 0 FCAEMM CCSc1c[nH]c(=O)c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001617702634 1289857083 /nfs/dbraw/zinc/85/70/83/1289857083.db2.gz CPDKRPCGCNKWBE-UHFFFAOYSA-N -1 1 350.404 0.536 10 0 FCAEMM O=C(Cc1ccccc1N1CCCC1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617702607 1289857388 /nfs/dbraw/zinc/85/73/88/1289857388.db2.gz CBKPRDOZDAWFDN-UHFFFAOYSA-N -1 1 370.413 0.379 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)n[n-]1 ZINC001618278137 1289895026 /nfs/dbraw/zinc/89/50/26/1289895026.db2.gz MZJBQLZQBZNPKY-WDEREUQCSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)[n-]1 ZINC001618278137 1289895039 /nfs/dbraw/zinc/89/50/39/1289895039.db2.gz MZJBQLZQBZNPKY-WDEREUQCSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H]2OCCN(C)C2=O)n1 ZINC001618278137 1289895051 /nfs/dbraw/zinc/89/50/51/1289895051.db2.gz MZJBQLZQBZNPKY-WDEREUQCSA-N -1 1 367.406 0.042 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)/C=C\Cn3cncn3)CC2)n1 ZINC001618407901 1289905261 /nfs/dbraw/zinc/90/52/61/1289905261.db2.gz DDKAAKYNWLACIM-ARJAWSKDSA-N -1 1 359.390 0.535 10 0 FCAEMM CC[C@@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001739428759 1289967658 /nfs/dbraw/zinc/96/76/58/1289967658.db2.gz MOGZQZRNUYEYJE-HOSYDEDBSA-N -1 1 357.357 0.770 10 0 FCAEMM COc1cnc([C@@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)[n-]c1=O ZINC001620648333 1290012068 /nfs/dbraw/zinc/01/20/68/1290012068.db2.gz RMZZMFAUNZBMAC-JTQLQIEISA-N -1 1 357.374 0.910 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC001620692841 1290018950 /nfs/dbraw/zinc/01/89/50/1290018950.db2.gz KRMRRSPWCWBLSC-JTQLQIEISA-N -1 1 360.374 0.452 10 0 FCAEMM CSc1ncc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001621422562 1290034423 /nfs/dbraw/zinc/03/44/23/1290034423.db2.gz WNFMHSDLMUJZNE-AYVTZFPOSA-N -1 1 365.415 0.354 10 0 FCAEMM CC(C)OCCOC[C@H](O)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001621862367 1290067190 /nfs/dbraw/zinc/06/71/90/1290067190.db2.gz GXEWMOYSMWHRNF-CYBMUJFWSA-N -1 1 353.419 0.934 10 0 FCAEMM CO[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001739568792 1290168197 /nfs/dbraw/zinc/16/81/97/1290168197.db2.gz VMTFCVRDZSZVBA-UKRRQHHQSA-N -1 1 363.414 0.560 10 0 FCAEMM CCCCNC(=O)[C@H]1CSCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001623642604 1290227474 /nfs/dbraw/zinc/22/74/74/1290227474.db2.gz HBVQIYLCQXJGOB-MRVPVSSYSA-N -1 1 356.404 0.328 10 0 FCAEMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001624730995 1290291939 /nfs/dbraw/zinc/29/19/39/1290291939.db2.gz QPJIFAXTERCTGX-WDEREUQCSA-N -1 1 366.418 0.935 10 0 FCAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001625611298 1290354826 /nfs/dbraw/zinc/35/48/26/1290354826.db2.gz FVWODAZYVCIECC-SECBINFHSA-N -1 1 357.417 0.435 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n[n-]1 ZINC001626416619 1290395585 /nfs/dbraw/zinc/39/55/85/1290395585.db2.gz IRLPSMHNDCJHOK-TVRMLOFPSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)[n-]1 ZINC001626416619 1290395594 /nfs/dbraw/zinc/39/55/94/1290395594.db2.gz IRLPSMHNDCJHOK-TVRMLOFPSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n1 ZINC001626416619 1290395605 /nfs/dbraw/zinc/39/56/05/1290395605.db2.gz IRLPSMHNDCJHOK-TVRMLOFPSA-N -1 1 351.407 0.829 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1ccn(Cc2ccccn2)n1 ZINC001626596701 1290406196 /nfs/dbraw/zinc/40/61/96/1290406196.db2.gz RCNLFALYESGEEY-UHFFFAOYSA-N -1 1 352.354 0.796 10 0 FCAEMM CS(C)(=O)=Nc1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001627165535 1290442915 /nfs/dbraw/zinc/44/29/15/1290442915.db2.gz HTABKGABBOETDQ-LBPRGKRZSA-N -1 1 350.404 0.773 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001627165947 1290442928 /nfs/dbraw/zinc/44/29/28/1290442928.db2.gz SHLNVRGLOFFHRK-DCAQKATOSA-N -1 1 352.395 0.260 10 0 FCAEMM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001627165365 1290443257 /nfs/dbraw/zinc/44/32/57/1290443257.db2.gz BLOFRVIHWCCLEO-QWRGUYRKSA-N -1 1 370.410 0.029 10 0 FCAEMM CCn1ncnc1-c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC001627165369 1290443290 /nfs/dbraw/zinc/44/32/90/1290443290.db2.gz BNSJPXAHIPVAAF-ZDUSSCGKSA-N -1 1 354.374 0.692 10 0 FCAEMM CS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(N)c1 ZINC001627362901 1290458585 /nfs/dbraw/zinc/45/85/85/1290458585.db2.gz RPDQBLRWYQJSBD-UHFFFAOYSA-N -1 1 366.399 0.781 10 0 FCAEMM COC(=O)[C@@]1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCOC1 ZINC001628012952 1290502449 /nfs/dbraw/zinc/50/24/49/1290502449.db2.gz RFBCZAFFGVWLHH-QGZVFWFLSA-N -1 1 362.386 0.290 10 0 FCAEMM CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)NCc1nn[n-]n1 ZINC001628113007 1290506226 /nfs/dbraw/zinc/50/62/26/1290506226.db2.gz VZIAXZWSJWTAME-LBPRGKRZSA-N -1 1 360.374 0.888 10 0 FCAEMM C/C=C(\C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001740375623 1290546635 /nfs/dbraw/zinc/54/66/35/1290546635.db2.gz ZLGDYOBXAYIRGW-PRTDEMGBSA-N -1 1 360.414 0.141 10 0 FCAEMM CN(C)C(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001740378179 1290549096 /nfs/dbraw/zinc/54/90/96/1290549096.db2.gz QEIFDDHEXNRNJL-MCIONIFRSA-N -1 1 374.441 0.907 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n[n-]1 ZINC001629030188 1290570869 /nfs/dbraw/zinc/57/08/69/1290570869.db2.gz WMWODHMSHPJQOK-MRVPVSSYSA-N -1 1 371.353 0.698 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[n-]1 ZINC001629030188 1290570876 /nfs/dbraw/zinc/57/08/76/1290570876.db2.gz WMWODHMSHPJQOK-MRVPVSSYSA-N -1 1 371.353 0.698 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC001629030188 1290570880 /nfs/dbraw/zinc/57/08/80/1290570880.db2.gz WMWODHMSHPJQOK-MRVPVSSYSA-N -1 1 371.353 0.698 10 0 FCAEMM O=C([N-][C@@H]1CN(C(=O)C2(O)COC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001629763793 1290623644 /nfs/dbraw/zinc/62/36/44/1290623644.db2.gz MVKASVFGCOYLGE-CHWSQXEVSA-N -1 1 372.343 0.811 10 0 FCAEMM CSCC[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)c1nn[n-]n1 ZINC001629930988 1290635494 /nfs/dbraw/zinc/63/54/94/1290635494.db2.gz AMFOKQBFSKOLIZ-JTQLQIEISA-N -1 1 361.431 0.803 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNC(=O)c1ccccc1F ZINC001630358721 1290662011 /nfs/dbraw/zinc/66/20/11/1290662011.db2.gz UGWUYLCOGBHKBY-UHFFFAOYSA-N -1 1 364.333 0.585 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)o1 ZINC001630409399 1290666887 /nfs/dbraw/zinc/66/68/87/1290666887.db2.gz OXATYXACXGPOCL-CYBMUJFWSA-N -1 1 365.367 0.665 10 0 FCAEMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001630646262 1290685769 /nfs/dbraw/zinc/68/57/69/1290685769.db2.gz DRIAWDGUPFGKTC-LBPRGKRZSA-N -1 1 356.354 0.709 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)co1 ZINC001630656555 1290686332 /nfs/dbraw/zinc/68/63/32/1290686332.db2.gz OZWMJAIWUGAURX-GFCCVEGCSA-N -1 1 353.404 0.647 10 0 FCAEMM CN1CC[C@](Cc2ccccc2)(C(=O)NCc2nc([O-])cc(=O)[nH]2)C1=O ZINC001630646984 1290686834 /nfs/dbraw/zinc/68/68/34/1290686834.db2.gz QONWDOXDCGGULO-SFHVURJKSA-N -1 1 356.382 0.595 10 0 FCAEMM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001643132926 1290852415 /nfs/dbraw/zinc/85/24/15/1290852415.db2.gz SCXVVGRZQXVJEA-UHFFFAOYSA-N -1 1 368.394 0.314 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001644649152 1290969933 /nfs/dbraw/zinc/96/99/33/1290969933.db2.gz QTASOTUHUDSVOF-UHFFFAOYSA-N -1 1 359.351 0.486 10 0 FCAEMM CN(C)S(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001644748480 1290981207 /nfs/dbraw/zinc/98/12/07/1290981207.db2.gz KUSFKULZSPZJDY-UHFFFAOYSA-N -1 1 350.404 0.259 10 0 FCAEMM Cc1[nH]nc(C(=O)Nc2c[nH]cc(I)c2=O)c1[O-] ZINC001644854705 1290989186 /nfs/dbraw/zinc/98/91/86/1290989186.db2.gz UHZYFTRDJIHEPB-UHFFFAOYSA-N -1 1 360.111 0.969 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCOC[C@H]1c1nn[n-]n1)C2=O ZINC001648468951 1291123465 /nfs/dbraw/zinc/12/34/65/1291123465.db2.gz SJEPPWPZVXKXOZ-MFKMUULPSA-N -1 1 370.369 0.093 10 0 FCAEMM O=C([C@H]1CCCN(c2ccccc2)C1=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001648468866 1291123761 /nfs/dbraw/zinc/12/37/61/1291123761.db2.gz OSPJSMMYXZJMTR-UONOGXRCSA-N -1 1 356.386 0.543 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2 ZINC001648504602 1291126603 /nfs/dbraw/zinc/12/66/03/1291126603.db2.gz SBMCXUAEFUKVMI-HNNXBMFYSA-N -1 1 364.383 0.627 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2 ZINC001648504602 1291126607 /nfs/dbraw/zinc/12/66/07/1291126607.db2.gz SBMCXUAEFUKVMI-HNNXBMFYSA-N -1 1 364.383 0.627 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650858748 1291180943 /nfs/dbraw/zinc/18/09/43/1291180943.db2.gz SEFRXVFHWAPJJJ-FYQHACEVSA-N -1 1 351.374 0.509 10 0 FCAEMM CC(C)n1cc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c(=O)[nH]c1=O ZINC001650866368 1291182334 /nfs/dbraw/zinc/18/23/34/1291182334.db2.gz KPFWDIUSTMWPCW-UHFFFAOYSA-N -1 1 360.399 0.791 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)NC2(c3nn[nH]n3)CCC2)o1)C(F)(F)F ZINC001651218731 1291207938 /nfs/dbraw/zinc/20/79/38/1291207938.db2.gz UDHOAZSXIHLHFN-UHFFFAOYSA-N -1 1 358.280 0.780 10 0 FCAEMM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218490 1291208459 /nfs/dbraw/zinc/20/84/59/1291208459.db2.gz LXNYXHVJXRNGBS-SNVBAGLBSA-N -1 1 354.411 0.625 10 0 FCAEMM CC1(C)OC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](c2ccccc2)O1 ZINC001651253739 1291212288 /nfs/dbraw/zinc/21/22/88/1291212288.db2.gz KHQCYOJMJCVNCY-GDBMZVCRSA-N -1 1 373.409 0.936 10 0 FCAEMM CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1 ZINC001651874720 1291247298 /nfs/dbraw/zinc/24/72/98/1291247298.db2.gz PZCAZIJTJCLIGM-NSHDSACASA-N -1 1 364.431 0.666 10 0 FCAEMM CCCC(=O)N1CCC[C@@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652612908 1291286949 /nfs/dbraw/zinc/28/69/49/1291286949.db2.gz DSMVESRIFHOTCH-GFCCVEGCSA-N -1 1 350.419 0.988 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCNC1=O ZINC001652680302 1291289214 /nfs/dbraw/zinc/28/92/14/1291289214.db2.gz AFPAVHWCPHMCKJ-GOSISDBHSA-N -1 1 355.398 0.880 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC2(C1)CCNC(=O)O2 ZINC001653008002 1291316844 /nfs/dbraw/zinc/31/68/44/1291316844.db2.gz LGSBPUIHBDCHGP-UHFFFAOYSA-N -1 1 369.381 0.394 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCC1(OCCO)CCCCC1 ZINC001653208741 1291326887 /nfs/dbraw/zinc/32/68/87/1291326887.db2.gz CCKIYFVJLVKJDE-UHFFFAOYSA-N -1 1 351.403 0.345 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CC(=O)NCC(F)(F)F)[n-]c1=O ZINC001653332891 1291337304 /nfs/dbraw/zinc/33/73/04/1291337304.db2.gz IMHTYCWREGPRGN-QMMMGPOBSA-N -1 1 362.308 0.923 10 0 FCAEMM CN(C)[S@](C)(=O)=NCC1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001653569922 1291353767 /nfs/dbraw/zinc/35/37/67/1291353767.db2.gz VRQNMWQNULMCSH-XMMPIXPASA-N -1 1 357.484 0.335 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n[n-]1 ZINC001654490356 1291414475 /nfs/dbraw/zinc/41/44/75/1291414475.db2.gz PECBQGVDNPQYSG-AOOOYVTPSA-N -1 1 367.406 0.901 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC001654490356 1291414480 /nfs/dbraw/zinc/41/44/80/1291414480.db2.gz PECBQGVDNPQYSG-AOOOYVTPSA-N -1 1 367.406 0.901 10 0 FCAEMM O=c1cc(CN2CCS(=O)(=O)C[C@@H]2CCO)c2ccc([O-])cc2o1 ZINC001654856915 1291441025 /nfs/dbraw/zinc/44/10/25/1291441025.db2.gz RFGWMNHOYFFQMA-LBPRGKRZSA-N -1 1 353.396 0.480 10 0 FCAEMM COCCS(=O)(=O)CCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001660522162 1291662898 /nfs/dbraw/zinc/66/28/98/1291662898.db2.gz LITYZBWOCONQLW-GFCCVEGCSA-N -1 1 359.448 0.779 10 0 FCAEMM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1n[nH]c(=O)[n-]1 ZINC001667478185 1291938034 /nfs/dbraw/zinc/93/80/34/1291938034.db2.gz DDQUYBQGMZOOOV-MJBXVCDLSA-N -1 1 351.451 0.803 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CCN1C(=O)c1ncccc1[O-] ZINC001684950828 1292380013 /nfs/dbraw/zinc/38/00/13/1292380013.db2.gz UHXGHFVQQTXHDD-VHSXEESVSA-N -1 1 370.356 0.278 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@]1(O)CCOC1 ZINC001686960164 1292969322 /nfs/dbraw/zinc/96/93/22/1292969322.db2.gz JVGLMWMUWOALJS-MJVIPROJSA-N -1 1 367.368 0.769 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2)c(Br)n1C ZINC000388463675 836055366 /nfs/dbraw/zinc/05/53/66/836055366.db2.gz CPCSBEXCEIMVAW-SECBINFHSA-N -1 1 351.270 0.864 10 0 FCAEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CCC2 ZINC000394705889 836063709 /nfs/dbraw/zinc/06/37/09/836063709.db2.gz MFMIIGYRWUXGHT-LLVKDONJSA-N -1 1 358.395 0.402 10 0 FCAEMM COC(=O)[C@]12CN(C(=O)c3csc(=NC4CC4)[n-]3)C[C@H]1COCC2 ZINC000478086575 836079404 /nfs/dbraw/zinc/07/94/04/836079404.db2.gz QBHFOUIWIQCACS-MGPLVRAMSA-N -1 1 351.428 0.791 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC(C(N)=O)CC1 ZINC000749284615 836353286 /nfs/dbraw/zinc/35/32/86/836353286.db2.gz YDBGTVCBOWJATJ-MRVPVSSYSA-N -1 1 356.325 0.940 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000749278066 836353518 /nfs/dbraw/zinc/35/35/18/836353518.db2.gz HBPZTWOGQNCPMS-BDAKNGLRSA-N -1 1 356.325 0.940 10 0 FCAEMM CC(=O)N[C@H](CC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1cccs1 ZINC001118837972 847601247 /nfs/dbraw/zinc/60/12/47/847601247.db2.gz XAOQKNRJOJHQGX-SNVBAGLBSA-N -1 1 360.399 0.994 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCCNC(=O)c1cccc(Br)c1 ZINC001136550204 849227012 /nfs/dbraw/zinc/22/70/12/849227012.db2.gz GETYQNIMUGSPOE-UHFFFAOYSA-N -1 1 367.207 0.441 10 0 FCAEMM COC[C@@]1(C(=O)NCc2nn[n-]n2)CCCCN1C(=O)OC(C)(C)C ZINC001136627207 849230709 /nfs/dbraw/zinc/23/07/09/849230709.db2.gz AEZUVXKZPNOVCJ-OAHLLOKOSA-N -1 1 354.411 0.622 10 0 FCAEMM COC(=O)C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccs1 ZINC001141319726 849389850 /nfs/dbraw/zinc/38/98/50/849389850.db2.gz PCWJEMJUEJOTFH-SNVBAGLBSA-N -1 1 363.395 0.999 10 0 FCAEMM NS(=O)(=O)C1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC001143896872 849503041 /nfs/dbraw/zinc/50/30/41/849503041.db2.gz JKBAWOCUYBTFBN-UHFFFAOYSA-N -1 1 353.375 0.973 10 0 FCAEMM Cc1nc(S(=O)(=O)NCCC(=O)[N-]Oc2ccc(F)cc2)cn1C ZINC001146553310 849561455 /nfs/dbraw/zinc/56/14/55/849561455.db2.gz YIYWZUHVNDUTDG-UHFFFAOYSA-N -1 1 356.379 0.646 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc2n[n-]c(=S)n2c1 ZINC001175214896 850756424 /nfs/dbraw/zinc/75/64/24/850756424.db2.gz TTWDIGVOLMGDTI-UHFFFAOYSA-N -1 1 358.383 0.516 10 0 FCAEMM COC[C@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1nn[n-]n1 ZINC001177828193 850870839 /nfs/dbraw/zinc/87/08/39/850870839.db2.gz LUAJGNWCGKACSZ-NSHDSACASA-N -1 1 364.431 0.430 10 0 FCAEMM COC[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1nn[n-]n1 ZINC001177827066 850871395 /nfs/dbraw/zinc/87/13/95/850871395.db2.gz COMXNLLCVDLQGD-NSHDSACASA-N -1 1 365.781 0.500 10 0 FCAEMM CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001180060185 851011033 /nfs/dbraw/zinc/01/10/33/851011033.db2.gz USWQEJUATHXLPR-ZJUUUORDSA-N -1 1 358.420 0.182 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC001180287124 851023786 /nfs/dbraw/zinc/02/37/86/851023786.db2.gz MASLWZHJIJYTJF-UHFFFAOYSA-N -1 1 350.404 0.353 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCCN1C(=O)NC(C)(C)C1=O ZINC001181071060 851088439 /nfs/dbraw/zinc/08/84/39/851088439.db2.gz ACYZZUNFWMICEZ-UHFFFAOYSA-N -1 1 353.404 0.230 10 0 FCAEMM Cn1cc(C(=O)Nc2ccc(Br)c([O-])c2)c(=O)n(C)c1=O ZINC001256447489 858080841 /nfs/dbraw/zinc/08/08/41/858080841.db2.gz OYVZYQPHXYBRIZ-UHFFFAOYSA-N -1 1 354.160 0.804 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C[C@@H]3CCC4(CCOCC4)O3)CC2)CCOC1 ZINC001262156998 858802159 /nfs/dbraw/zinc/80/21/59/858802159.db2.gz MTKRMZJMJZBZPG-MAUKXSAKSA-N -1 1 354.447 0.576 10 0 FCAEMM O=C(N[C@H](C(=O)[O-])[C@H]1CCCOC1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001262210191 858820218 /nfs/dbraw/zinc/82/02/18/858820218.db2.gz OUKQPPKJCKLASI-DGAVXFQQSA-N -1 1 357.476 0.745 10 0 FCAEMM CSC[C@H]1CCCN1c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCOC1 ZINC001263573550 859179743 /nfs/dbraw/zinc/17/97/43/859179743.db2.gz MSRTYPJCVKWANR-WDEREUQCSA-N -1 1 350.452 0.827 10 0 FCAEMM CSC[C@H]1CCCN1c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001263573550 859179752 /nfs/dbraw/zinc/17/97/52/859179752.db2.gz MSRTYPJCVKWANR-WDEREUQCSA-N -1 1 350.452 0.827 10 0 FCAEMM C([C@H]1CCCCO1)n1c(-c2nnn[n-]2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001263585200 859180440 /nfs/dbraw/zinc/18/04/40/859180440.db2.gz NIXGWJIBBFXTCW-GRYCIOLGSA-N -1 1 362.463 0.827 10 0 FCAEMM C([C@H]1CCCCO1)n1c(-c2nn[n-]n2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001263585200 859180445 /nfs/dbraw/zinc/18/04/45/859180445.db2.gz NIXGWJIBBFXTCW-GRYCIOLGSA-N -1 1 362.463 0.827 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001285381795 864626577 /nfs/dbraw/zinc/62/65/77/864626577.db2.gz IMLLTSCRQKBEJR-NXEZZACHSA-N -1 1 352.391 0.473 10 0 FCAEMM C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001289152103 864951897 /nfs/dbraw/zinc/95/18/97/864951897.db2.gz ARXKMBYSLAKPCL-FXPVBKGRSA-N -1 1 361.320 0.677 10 0 FCAEMM C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001289280775 865003813 /nfs/dbraw/zinc/00/38/13/865003813.db2.gz OMEDDVVZPLZPKC-VXGBXAGGSA-N -1 1 369.443 0.189 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC001319867018 868022261 /nfs/dbraw/zinc/02/22/61/868022261.db2.gz OJNPNAIGPWLUDH-PBINXNQUSA-N -1 1 354.384 0.220 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CCCCC(N)=O)CC2)n1 ZINC001320813793 868286517 /nfs/dbraw/zinc/28/65/17/868286517.db2.gz GNPXGUXSFUSINZ-UHFFFAOYSA-N -1 1 351.407 0.733 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(=O)[O-])c(F)cc1Cl ZINC001322037483 868718468 /nfs/dbraw/zinc/71/84/68/868718468.db2.gz TWQJYCLVXYBKKU-VIFPVBQESA-N -1 1 368.770 0.346 10 0 FCAEMM c1csc(Cn2c(Cc3nnn[n-]3)nnc2N2CCC3(COC3)C2)c1 ZINC001343512289 870463047 /nfs/dbraw/zinc/46/30/47/870463047.db2.gz JJFSYFCPHKGQNW-UHFFFAOYSA-N -1 1 358.431 0.719 10 0 FCAEMM c1csc(Cn2c(Cc3nn[n-]n3)nnc2N2CCC3(COC3)C2)c1 ZINC001343512289 870463051 /nfs/dbraw/zinc/46/30/51/870463051.db2.gz JJFSYFCPHKGQNW-UHFFFAOYSA-N -1 1 358.431 0.719 10 0 FCAEMM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001328350879 871380819 /nfs/dbraw/zinc/38/08/19/871380819.db2.gz OVGPMOJEBINCNY-IUODEOHRSA-N -1 1 351.447 0.689 10 0 FCAEMM CN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001329437940 872030075 /nfs/dbraw/zinc/03/00/75/872030075.db2.gz RSXQGFZUVKTJJH-YGRLFVJLSA-N -1 1 365.352 0.293 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CC(CC3CC3)C2)C1 ZINC001329443404 872032636 /nfs/dbraw/zinc/03/26/36/872032636.db2.gz OQFXJEHXCBRFGY-HNNXBMFYSA-N -1 1 361.364 0.914 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1=O ZINC001347475582 872351221 /nfs/dbraw/zinc/35/12/21/872351221.db2.gz WZIHXTYWJMZMGL-SSDOTTSWSA-N -1 1 353.180 0.291 10 0 FCAEMM COCCOCCN1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001348846234 872811367 /nfs/dbraw/zinc/81/13/67/872811367.db2.gz OJFYAOJCPXZZST-UHFFFAOYSA-N -1 1 356.448 0.200 10 0 FCAEMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001331934309 873309088 /nfs/dbraw/zinc/30/90/88/873309088.db2.gz OPHCWCWECFSPLU-ZIAGYGMSSA-N -1 1 353.463 0.840 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001332299698 873443879 /nfs/dbraw/zinc/44/38/79/873443879.db2.gz OWUULMCFOCWSNG-JTQLQIEISA-N -1 1 353.343 0.830 10 0 FCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000294280951 214235263 /nfs/dbraw/zinc/23/52/63/214235263.db2.gz GODREPWVUROMAV-RYUDHWBXSA-N -1 1 367.475 0.896 10 0 FCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000294280955 214235312 /nfs/dbraw/zinc/23/53/12/214235312.db2.gz GODREPWVUROMAV-VXGBXAGGSA-N -1 1 367.475 0.896 10 0 FCAEMM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000294280947 214236180 /nfs/dbraw/zinc/23/61/80/214236180.db2.gz GODREPWVUROMAV-NWDGAFQWSA-N -1 1 367.475 0.896 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)CO ZINC000930999834 674085468 /nfs/dbraw/zinc/08/54/68/674085468.db2.gz IWUUXMLDKRQFQD-HBNTYKKESA-N -1 1 370.368 0.193 10 0 FCAEMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1 ZINC000284991757 213261911 /nfs/dbraw/zinc/26/19/11/213261911.db2.gz MTBFIAWFGYLAKV-HZPDHXFCSA-N -1 1 367.471 0.912 10 0 FCAEMM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366679868 216015805 /nfs/dbraw/zinc/01/58/05/216015805.db2.gz OYOOFKQAYPLUEW-JTQLQIEISA-N -1 1 358.402 0.816 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)n1 ZINC000369338386 216386352 /nfs/dbraw/zinc/38/63/52/216386352.db2.gz IGIFASNLRBVCRM-CMPLNLGQSA-N -1 1 372.447 0.668 10 0 FCAEMM C[C@@H](CN1CCOC[C@@H]1CNS(C)(=O)=O)C(=O)c1ccc([O-])cc1 ZINC000931330316 674108686 /nfs/dbraw/zinc/10/86/86/674108686.db2.gz FMFZXKSQFSPUHU-JSGCOSHPSA-N -1 1 356.444 0.461 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)o1 ZINC000276355779 212218877 /nfs/dbraw/zinc/21/88/77/212218877.db2.gz IINCFIHNXQMYBY-CWSCBRNRSA-N -1 1 356.400 0.601 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000276236433 212193531 /nfs/dbraw/zinc/19/35/31/212193531.db2.gz TYUBTLAFZOQNCL-NZVBXONLSA-N -1 1 355.412 0.932 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275301170 212002787 /nfs/dbraw/zinc/00/27/87/212002787.db2.gz NBGVTALTCNBEKS-UHFFFAOYSA-N -1 1 356.400 0.254 10 0 FCAEMM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1 ZINC000424063189 247164584 /nfs/dbraw/zinc/16/45/84/247164584.db2.gz HVKGZICBDBASKZ-UHFFFAOYSA-N -1 1 355.416 0.070 10 0 FCAEMM CN(Cc1nnnn1C)C(=O)c1cc(I)ccc1[O-] ZINC000436776885 248049129 /nfs/dbraw/zinc/04/91/29/248049129.db2.gz APZURMORFVZXHQ-UHFFFAOYSA-N -1 1 373.154 0.793 10 0 FCAEMM COC(=O)C1CCN(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000438998154 248104894 /nfs/dbraw/zinc/10/48/94/248104894.db2.gz IDYSESJOXQCMLK-UHFFFAOYSA-N -1 1 351.407 0.101 10 0 FCAEMM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444292343 248354403 /nfs/dbraw/zinc/35/44/03/248354403.db2.gz WTJYFSJEOAMATB-NHYWBVRUSA-N -1 1 365.448 0.606 10 0 FCAEMM C[C@H]1CCC[C@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000469908685 250011850 /nfs/dbraw/zinc/01/18/50/250011850.db2.gz QSMNVEWGIXHSQX-NWDGAFQWSA-N -1 1 371.459 0.989 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CCSC1 ZINC000270190237 211165269 /nfs/dbraw/zinc/16/52/69/211165269.db2.gz AECNJBGIBIOUDU-LLVKDONJSA-N -1 1 353.853 0.709 10 0 FCAEMM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470983392 250084581 /nfs/dbraw/zinc/08/45/81/250084581.db2.gz GDYZWOIMUKGHMW-LBPRGKRZSA-N -1 1 357.353 0.223 10 0 FCAEMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000470978542 250085399 /nfs/dbraw/zinc/08/53/99/250085399.db2.gz UDBDVKPBPNJFIQ-CQSZACIVSA-N -1 1 353.386 0.534 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000269981113 211132648 /nfs/dbraw/zinc/13/26/48/211132648.db2.gz CQSHSWURKYWEQN-LBPRGKRZSA-N -1 1 366.399 0.804 10 0 FCAEMM CCc1nc2n(n1)C[C@H](NC(=O)Cc1c(C)nc3cc(=O)[n-]n3c1C)CC2 ZINC000114873177 208319837 /nfs/dbraw/zinc/31/98/37/208319837.db2.gz RVGQEECNJMAJKU-GFCCVEGCSA-N -1 1 369.429 0.467 10 0 FCAEMM COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000409957560 533299898 /nfs/dbraw/zinc/29/98/98/533299898.db2.gz LATDENHZSKRUEO-ZDUSSCGKSA-N -1 1 356.386 0.618 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000410027832 533404948 /nfs/dbraw/zinc/40/49/48/533404948.db2.gz ICFYNUOJOYPPET-CMPLNLGQSA-N -1 1 364.427 0.371 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)o1 ZINC000054016942 488215290 /nfs/dbraw/zinc/21/52/90/488215290.db2.gz BVRNNIJREQIWBG-NSHDSACASA-N -1 1 365.415 0.377 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(-c3ccccc3F)n2)n1 ZINC000101664296 488495371 /nfs/dbraw/zinc/49/53/71/488495371.db2.gz CDDVISCXPBEZBZ-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccn(-c3ccccc3F)n2)[n-]1 ZINC000101664296 488495373 /nfs/dbraw/zinc/49/53/73/488495373.db2.gz CDDVISCXPBEZBZ-UHFFFAOYSA-N -1 1 350.335 0.785 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N(C)CC2CC2)cc1[N-]S(C)(=O)=O ZINC000271547297 488525889 /nfs/dbraw/zinc/52/58/89/488525889.db2.gz JAAYEORTPIYXDN-UHFFFAOYSA-N -1 1 355.416 0.874 10 0 FCAEMM Cc1nc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000262737122 488588961 /nfs/dbraw/zinc/58/89/61/488588961.db2.gz VPPPCNZBRMICHY-RQJHMYQMSA-N -1 1 373.295 0.696 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1nn[n-]n1 ZINC000124631851 488594432 /nfs/dbraw/zinc/59/44/32/488594432.db2.gz ZSFUQCOZCYYGFM-DZGCQCFKSA-N -1 1 356.430 0.853 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CCN1CC(F)F ZINC000125507176 488602038 /nfs/dbraw/zinc/60/20/38/488602038.db2.gz MWDOEYJCUMFFOH-SNVBAGLBSA-N -1 1 365.402 0.989 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000273315596 488643331 /nfs/dbraw/zinc/64/33/31/488643331.db2.gz PTTPLSNAERETEU-HNNXBMFYSA-N -1 1 365.405 0.554 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000131265276 488644677 /nfs/dbraw/zinc/64/46/77/488644677.db2.gz CMYLTADFNFPKEG-UKRRQHHQSA-N -1 1 371.441 0.699 10 0 FCAEMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCO2)c(OC)c1 ZINC000273529227 488656904 /nfs/dbraw/zinc/65/69/04/488656904.db2.gz QGLLNTDJNFJXOS-UHFFFAOYSA-N -1 1 350.418 0.783 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cs1 ZINC000274942847 488746093 /nfs/dbraw/zinc/74/60/93/488746093.db2.gz REZJXNWTUSYFQK-SECBINFHSA-N -1 1 359.385 0.232 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000274962416 488748407 /nfs/dbraw/zinc/74/84/07/488748407.db2.gz VBSXJFVKPNMPBR-VIFPVBQESA-N -1 1 364.305 0.798 10 0 FCAEMM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000274999366 488751852 /nfs/dbraw/zinc/75/18/52/488751852.db2.gz NVMBKLXLZHILKP-ZDUSSCGKSA-N -1 1 358.464 0.757 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1 ZINC000275028886 488754686 /nfs/dbraw/zinc/75/46/86/488754686.db2.gz TYUYDUHIYAJZTI-AWEZNQCLSA-N -1 1 369.443 0.264 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])cc1OC ZINC000275056037 488757352 /nfs/dbraw/zinc/75/73/52/488757352.db2.gz YBAKISMFUXPQCN-CYBMUJFWSA-N -1 1 372.443 0.921 10 0 FCAEMM COC[C@H](C)S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)[O-] ZINC000275207929 488772934 /nfs/dbraw/zinc/77/29/34/488772934.db2.gz HKJDJZMPWOJNGJ-LBPRGKRZSA-N -1 1 371.459 0.913 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172752497 488837609 /nfs/dbraw/zinc/83/76/09/488837609.db2.gz SWRPRVOPDOHIBF-CQSZACIVSA-N -1 1 359.430 0.115 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnccn1 ZINC000280885173 489038273 /nfs/dbraw/zinc/03/82/73/489038273.db2.gz CPHKMSBEMDKOBL-UHFFFAOYSA-N -1 1 364.383 0.455 10 0 FCAEMM CC(C)c1nnc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)s1 ZINC000289444807 489067964 /nfs/dbraw/zinc/06/79/64/489067964.db2.gz OSAUVNABTFNWQX-SECBINFHSA-N -1 1 351.436 0.891 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000289457155 489068851 /nfs/dbraw/zinc/06/88/51/489068851.db2.gz PSYIDSNHPUFUDI-UHFFFAOYSA-N -1 1 359.386 0.243 10 0 FCAEMM COC(=O)c1ccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289457171 489069096 /nfs/dbraw/zinc/06/90/96/489069096.db2.gz PTLBMTFTHIISAJ-GFCCVEGCSA-N -1 1 359.386 0.703 10 0 FCAEMM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000289857228 489098259 /nfs/dbraw/zinc/09/82/59/489098259.db2.gz MTTBVISAQSOUMD-UHFFFAOYSA-N -1 1 360.417 0.719 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000365793412 489114067 /nfs/dbraw/zinc/11/40/67/489114067.db2.gz IQPAKVYEVXFDLV-UHFFFAOYSA-N -1 1 361.851 1.000 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000365810113 489116115 /nfs/dbraw/zinc/11/61/15/489116115.db2.gz NNGBZRWBTMDEMV-UHFFFAOYSA-N -1 1 363.386 0.625 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC2CCC1CC2 ZINC000563262585 491234009 /nfs/dbraw/zinc/23/40/09/491234009.db2.gz YRLAUEAOUKLCJY-WTIISPKJSA-N -1 1 355.460 0.577 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282104646 489134591 /nfs/dbraw/zinc/13/45/91/489134591.db2.gz FCWQHOGUDYNVIK-LLVKDONJSA-N -1 1 355.398 0.784 10 0 FCAEMM C[C@H](CN(C)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000282176228 489141839 /nfs/dbraw/zinc/14/18/39/489141839.db2.gz CWXFPRIHABNECW-ZJUUUORDSA-N -1 1 367.410 0.431 10 0 FCAEMM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C[C@]2(CCOC2)O1 ZINC000366512998 489190884 /nfs/dbraw/zinc/19/08/84/489190884.db2.gz FVBIMHJVRPBNRC-NHYWBVRUSA-N -1 1 358.416 0.598 10 0 FCAEMM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282815654 489191989 /nfs/dbraw/zinc/19/19/89/489191989.db2.gz BVFJWVBQYZUMLJ-IUCAKERBSA-N -1 1 361.324 0.215 10 0 FCAEMM O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282899855 489198196 /nfs/dbraw/zinc/19/81/96/489198196.db2.gz LMWWUBSVPZUTMI-RYUDHWBXSA-N -1 1 359.386 0.446 10 0 FCAEMM Cc1sc2ncc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)c(=O)n2c1C ZINC000282979075 489203834 /nfs/dbraw/zinc/20/38/34/489203834.db2.gz STZMRBHKLROYAZ-SNVBAGLBSA-N -1 1 374.426 0.804 10 0 FCAEMM COc1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1-n1cnnn1 ZINC000283018742 489206469 /nfs/dbraw/zinc/20/64/69/489206469.db2.gz XGLOOORMZKTKNC-LLVKDONJSA-N -1 1 370.373 0.102 10 0 FCAEMM C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)NC1=O ZINC000283031683 489208440 /nfs/dbraw/zinc/20/84/40/489208440.db2.gz YMZUWJHEIGRUGL-VHSXEESVSA-N -1 1 357.370 0.837 10 0 FCAEMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO1 ZINC000349469230 489292767 /nfs/dbraw/zinc/29/27/67/489292767.db2.gz QSIOULWPFMPQTM-UHFFFAOYSA-N -1 1 363.461 0.743 10 0 FCAEMM CC(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n[nH]1 ZINC000349470501 489293090 /nfs/dbraw/zinc/29/30/90/489293090.db2.gz SSTHDNGULHUWMK-UHFFFAOYSA-N -1 1 366.465 0.632 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1ccccn1 ZINC000349557679 489314543 /nfs/dbraw/zinc/31/45/43/489314543.db2.gz QFCKJOSUVUTCDE-CLLJXQQHSA-N -1 1 359.473 0.931 10 0 FCAEMM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370160570 489322424 /nfs/dbraw/zinc/32/24/24/489322424.db2.gz HBAPQZQKGJPCBG-GFCCVEGCSA-N -1 1 361.312 0.877 10 0 FCAEMM COc1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(OC)c1 ZINC000298646356 489348349 /nfs/dbraw/zinc/34/83/49/489348349.db2.gz HWLFDKFICWPNJI-NSHDSACASA-N -1 1 355.372 0.401 10 0 FCAEMM O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298837863 489371973 /nfs/dbraw/zinc/37/19/73/489371973.db2.gz DESSDMCBJCKWQM-CYBMUJFWSA-N -1 1 355.398 0.783 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000570702092 491258981 /nfs/dbraw/zinc/25/89/81/491258981.db2.gz ZRXUWRNADXXAHW-SFYZADRCSA-N -1 1 354.354 0.761 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)no1 ZINC000371746113 489504908 /nfs/dbraw/zinc/50/49/08/489504908.db2.gz HAVKXDMDVIYOFU-AWEZNQCLSA-N -1 1 350.400 0.993 10 0 FCAEMM Cc1cnc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c([O-])c1 ZINC000427768008 489620134 /nfs/dbraw/zinc/62/01/34/489620134.db2.gz QURFPKCJMOSXLS-LBPRGKRZSA-N -1 1 353.386 0.884 10 0 FCAEMM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC000373126473 489671453 /nfs/dbraw/zinc/67/14/53/489671453.db2.gz VBRFCQDRGUIXFW-JTQLQIEISA-N -1 1 370.456 0.205 10 0 FCAEMM O=C(COc1ccccc1)N1CCC[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)C1 ZINC000477023103 489931853 /nfs/dbraw/zinc/93/18/53/489931853.db2.gz WOFPHWIHRZADEV-CYBMUJFWSA-N -1 1 370.413 0.623 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000477065547 489938759 /nfs/dbraw/zinc/93/87/59/489938759.db2.gz XCHWVDQJXQVJKY-ZDUSSCGKSA-N -1 1 361.406 0.667 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000477107391 489943988 /nfs/dbraw/zinc/94/39/88/489943988.db2.gz MJPOVPDJROEMSU-UHFFFAOYSA-N -1 1 358.401 0.254 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000477107391 489943992 /nfs/dbraw/zinc/94/39/92/489943992.db2.gz MJPOVPDJROEMSU-UHFFFAOYSA-N -1 1 358.401 0.254 10 0 FCAEMM CCN1C(=O)[C@H]2CN(C(=O)c3cnc4nc(C)ccc4c3[O-])CCN2C1=O ZINC000378051719 490002121 /nfs/dbraw/zinc/00/21/21/490002121.db2.gz BZABWTSEOCTZKE-CYBMUJFWSA-N -1 1 369.381 0.752 10 0 FCAEMM CCN1C(=O)[C@H]2CN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)CCN2C1=O ZINC000378051719 490002123 /nfs/dbraw/zinc/00/21/23/490002123.db2.gz BZABWTSEOCTZKE-CYBMUJFWSA-N -1 1 369.381 0.752 10 0 FCAEMM CN(C)c1nccc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000436906586 490014646 /nfs/dbraw/zinc/01/46/46/490014646.db2.gz QTRTVXQNNQBGBI-UHFFFAOYSA-N -1 1 355.398 0.780 10 0 FCAEMM Cc1ncsc1CCS(=O)(=O)N[C@H](CN1CCCCC1)C(=O)[O-] ZINC000564217005 491295054 /nfs/dbraw/zinc/29/50/54/491295054.db2.gz UVBBIULLTVLAIZ-GFCCVEGCSA-N -1 1 361.489 0.853 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NCCCCF)cc1[N-]S(C)(=O)=O ZINC000464107502 490039904 /nfs/dbraw/zinc/03/99/04/490039904.db2.gz KIRLFGQNPRUMNH-UHFFFAOYSA-N -1 1 361.395 0.871 10 0 FCAEMM CNC(=O)Cn1nc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1C ZINC000443123778 490066605 /nfs/dbraw/zinc/06/66/05/490066605.db2.gz OGTYWSGHDRHEMP-UHFFFAOYSA-N -1 1 352.778 1.557 10 0 FCAEMM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1nc2ccccc2c(=O)[n-]1 ZINC000465065797 490079786 /nfs/dbraw/zinc/07/97/86/490079786.db2.gz LSWONCIFZBPGAA-HUTHGQBESA-N -1 1 355.354 0.031 10 0 FCAEMM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000533113698 490178616 /nfs/dbraw/zinc/17/86/16/490178616.db2.gz JYVGZAMFEYHDLF-GFCCVEGCSA-N -1 1 353.386 0.817 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)o1 ZINC000497585095 490180005 /nfs/dbraw/zinc/18/00/05/490180005.db2.gz MTMNVKFDFGUSAX-AWEZNQCLSA-N -1 1 354.388 0.934 10 0 FCAEMM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000408071007 490238792 /nfs/dbraw/zinc/23/87/92/490238792.db2.gz JIZIOJYUOOBKIM-FOGDFJRCSA-N -1 1 358.464 0.509 10 0 FCAEMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H]1O ZINC000408092936 490247070 /nfs/dbraw/zinc/24/70/70/490247070.db2.gz ZXDKAYZMTFJKEC-SKDRFNHKSA-N -1 1 366.436 0.589 10 0 FCAEMM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CC1 ZINC000448114869 490315243 /nfs/dbraw/zinc/31/52/43/490315243.db2.gz YOHIVUYVHZHBCV-UHFFFAOYSA-N -1 1 371.463 0.868 10 0 FCAEMM CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CC1 ZINC000448114869 490315246 /nfs/dbraw/zinc/31/52/46/490315246.db2.gz YOHIVUYVHZHBCV-UHFFFAOYSA-N -1 1 371.463 0.868 10 0 FCAEMM Cc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nnn1CC1CCCC1 ZINC000448113379 490315517 /nfs/dbraw/zinc/31/55/17/490315517.db2.gz KAAVCWMPRLDQOW-UHFFFAOYSA-N -1 1 353.408 0.551 10 0 FCAEMM Cc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nnn1CC1CCCC1 ZINC000448113379 490315521 /nfs/dbraw/zinc/31/55/21/490315521.db2.gz KAAVCWMPRLDQOW-UHFFFAOYSA-N -1 1 353.408 0.551 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000508545136 490337632 /nfs/dbraw/zinc/33/76/32/490337632.db2.gz IEIJQOFVCFGLJY-MWLCHTKSSA-N -1 1 355.416 0.920 10 0 FCAEMM CN(C)c1cccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000571617913 491319236 /nfs/dbraw/zinc/31/92/36/491319236.db2.gz HZROJBAGMBVENA-OAHLLOKOSA-N -1 1 355.460 0.970 10 0 FCAEMM CC(=O)N(CCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)Cc1ccccc1 ZINC000522358383 490371919 /nfs/dbraw/zinc/37/19/19/490371919.db2.gz QFHOFFUJCPSRPB-UHFFFAOYSA-N -1 1 365.415 0.586 10 0 FCAEMM CC(=O)N(CCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)Cc1ccccc1 ZINC000522358383 490371928 /nfs/dbraw/zinc/37/19/28/490371928.db2.gz QFHOFFUJCPSRPB-UHFFFAOYSA-N -1 1 365.415 0.586 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cn1C ZINC000547893304 490379241 /nfs/dbraw/zinc/37/92/41/490379241.db2.gz GGRMFYVDXFUJJD-LBPRGKRZSA-N -1 1 373.431 0.029 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000510507313 490523092 /nfs/dbraw/zinc/52/30/92/490523092.db2.gz YWRUYTYTXMVRLY-QMMMGPOBSA-N -1 1 351.402 0.310 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)sc1C ZINC000548824358 490545350 /nfs/dbraw/zinc/54/53/50/490545350.db2.gz MVOGEXUXTLDKOV-QWRGUYRKSA-N -1 1 367.518 0.756 10 0 FCAEMM COC(=O)c1cn(CCNC(=O)c2cnc3nc(C)ccc3c2[O-])nn1 ZINC000511549673 490603341 /nfs/dbraw/zinc/60/33/41/490603341.db2.gz FGNCNCJYHLFSKU-UHFFFAOYSA-N -1 1 356.342 0.452 10 0 FCAEMM COC(=O)c1cn(CCNC(=O)c2c[n-]c3nc(C)ccc3c2=O)nn1 ZINC000511549673 490603348 /nfs/dbraw/zinc/60/33/48/490603348.db2.gz FGNCNCJYHLFSKU-UHFFFAOYSA-N -1 1 356.342 0.452 10 0 FCAEMM CCCNC(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000525494771 490609244 /nfs/dbraw/zinc/60/92/44/490609244.db2.gz OFQNBXWSVKBCKA-UHFFFAOYSA-N -1 1 351.388 0.600 10 0 FCAEMM CCCNC(=O)c1cccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000525494771 490609249 /nfs/dbraw/zinc/60/92/49/490609249.db2.gz OFQNBXWSVKBCKA-UHFFFAOYSA-N -1 1 351.388 0.600 10 0 FCAEMM CNC(=O)COc1cccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000537123770 490650800 /nfs/dbraw/zinc/65/08/00/490650800.db2.gz HGUCKEMQHIJUBP-ZDUSSCGKSA-N -1 1 358.402 0.273 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c1 ZINC000486845303 490675658 /nfs/dbraw/zinc/67/56/58/490675658.db2.gz VVQXPAMAQWWKGV-UHFFFAOYSA-N -1 1 374.396 0.343 10 0 FCAEMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc2c1OCCO2 ZINC000512620222 490690899 /nfs/dbraw/zinc/69/08/99/490690899.db2.gz TXXXWQRFFDWWKC-UHFFFAOYSA-N -1 1 354.344 0.240 10 0 FCAEMM COc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc2c1OCCO2 ZINC000512620222 490690902 /nfs/dbraw/zinc/69/09/02/490690902.db2.gz TXXXWQRFFDWWKC-UHFFFAOYSA-N -1 1 354.344 0.240 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000487353305 490707330 /nfs/dbraw/zinc/70/73/30/490707330.db2.gz DKUWXNLXNVEFIV-IUCAKERBSA-N -1 1 364.370 0.699 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC[C@H](c3nn[n-]n3)C1)C2=O ZINC000538222769 490720182 /nfs/dbraw/zinc/72/01/82/490720182.db2.gz AQENCHRFXVENHM-NEPJUHHUSA-N -1 1 368.397 0.899 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000538224533 490720980 /nfs/dbraw/zinc/72/09/80/490720980.db2.gz BXSCKEMIWPZWLZ-VIFPVBQESA-N -1 1 354.392 0.063 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513450406 490729344 /nfs/dbraw/zinc/72/93/44/490729344.db2.gz KALQYLZJKCUVBF-LLVKDONJSA-N -1 1 364.427 0.467 10 0 FCAEMM CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1=O ZINC000539152115 490765049 /nfs/dbraw/zinc/76/50/49/490765049.db2.gz SHRRATJPKDCQQB-UHFFFAOYSA-N -1 1 372.378 0.466 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)c(=O)n(C)c1=O ZINC000528501083 490805050 /nfs/dbraw/zinc/80/50/50/490805050.db2.gz YPJKHFHFKWZNPC-CQSZACIVSA-N -1 1 364.427 0.299 10 0 FCAEMM CCn1nc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(=O)c2ccccc21 ZINC000540424619 490821779 /nfs/dbraw/zinc/82/17/79/490821779.db2.gz UGGTZRUIURZUAX-NSHDSACASA-N -1 1 353.386 0.949 10 0 FCAEMM CC1(C)CCC[C@@H]1CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000529564079 490862601 /nfs/dbraw/zinc/86/26/01/490862601.db2.gz DFRCETPPBJIMMR-LLVKDONJSA-N -1 1 371.459 0.989 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)o1 ZINC000529623944 490863784 /nfs/dbraw/zinc/86/37/84/490863784.db2.gz NGVLMLQXXAFLFZ-VIFPVBQESA-N -1 1 366.321 0.918 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)n1[C@@H]1CCOC1 ZINC000530262063 490895716 /nfs/dbraw/zinc/89/57/16/490895716.db2.gz JNVTZNYKTDQKEX-SNVBAGLBSA-N -1 1 353.404 0.840 10 0 FCAEMM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)n1[C@@H]1CCOC1 ZINC000530262063 490895717 /nfs/dbraw/zinc/89/57/17/490895717.db2.gz JNVTZNYKTDQKEX-SNVBAGLBSA-N -1 1 353.404 0.840 10 0 FCAEMM CO[C@H](C)c1nc(=NC(CS(=O)(=O)N(C)C)C(F)(F)F)s[n-]1 ZINC000557425936 491373732 /nfs/dbraw/zinc/37/37/32/491373732.db2.gz CDXWQWHYXCLWRT-RNFRBKRXSA-N -1 1 362.399 0.902 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000572528183 491376804 /nfs/dbraw/zinc/37/68/04/491376804.db2.gz HREWZPPXSTWISL-GWCFXTLKSA-N -1 1 364.427 1.033 10 0 FCAEMM Cn1cc(NC(=O)c2cc(Br)ccc2[O-])c(=O)n(C)c1=O ZINC000558620469 491438875 /nfs/dbraw/zinc/43/88/75/491438875.db2.gz FOGKSLDZGNUQCQ-UHFFFAOYSA-N -1 1 354.160 0.804 10 0 FCAEMM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2 ZINC000586757183 491731709 /nfs/dbraw/zinc/73/17/09/491731709.db2.gz ORKXZXKFASYBGY-SECBINFHSA-N -1 1 352.372 0.407 10 0 FCAEMM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2 ZINC000586757183 491731711 /nfs/dbraw/zinc/73/17/11/491731711.db2.gz ORKXZXKFASYBGY-SECBINFHSA-N -1 1 352.372 0.407 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)CCOCC(F)(F)F)CCSC1 ZINC000589227140 491757866 /nfs/dbraw/zinc/75/78/66/491757866.db2.gz QDVSYXREYVOAAO-SECBINFHSA-N -1 1 351.368 0.533 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Nc3ncccn3)C2)co1 ZINC000582005100 491793863 /nfs/dbraw/zinc/79/38/63/491793863.db2.gz NJPXINVTPCWMNC-NSHDSACASA-N -1 1 351.388 0.304 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CCOCC1CCCC1)c1ccnn1C ZINC000592097064 491831846 /nfs/dbraw/zinc/83/18/46/491831846.db2.gz OXCABOOHLRWCKE-CQSZACIVSA-N -1 1 359.448 0.760 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1ccnn1C ZINC000592095379 491832012 /nfs/dbraw/zinc/83/20/12/491832012.db2.gz ZZENPJXBVWAHJX-AWEZNQCLSA-N -1 1 351.384 0.643 10 0 FCAEMM COC1CCN(S(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)CC1 ZINC000594846908 491865679 /nfs/dbraw/zinc/86/56/79/491865679.db2.gz LHOSAMHCZLVUOE-OAHLLOKOSA-N -1 1 364.464 0.432 10 0 FCAEMM O=C(N[C@H]1CCOC[C@H]1O)c1cc(I)ccc1[O-] ZINC000600594473 491869934 /nfs/dbraw/zinc/86/99/34/491869934.db2.gz YGFVYEXJIVAQAC-GXSJLCMTSA-N -1 1 363.151 0.876 10 0 FCAEMM Cn1ccnc(N2CCN(C(=O)c3ncc4ccccc4c3[O-])CC2)c1=O ZINC000611731540 491870920 /nfs/dbraw/zinc/87/09/20/491870920.db2.gz JOGIEXVPAJTGFC-UHFFFAOYSA-N -1 1 365.393 0.997 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000601368923 491909886 /nfs/dbraw/zinc/90/98/86/491909886.db2.gz GWVHJNKDQDSRBJ-UKRRQHHQSA-N -1 1 358.460 0.791 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)OC)C1CC1 ZINC000601420842 491916852 /nfs/dbraw/zinc/91/68/52/491916852.db2.gz YQZPXJPWPLFRKG-CABCVRRESA-N -1 1 356.444 0.900 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)OC)C1CC1 ZINC000601420846 491916854 /nfs/dbraw/zinc/91/68/54/491916854.db2.gz YQZPXJPWPLFRKG-HUUCEWRRSA-N -1 1 356.444 0.900 10 0 FCAEMM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000595363859 491924268 /nfs/dbraw/zinc/92/42/68/491924268.db2.gz KHOVFWSOXHLEAZ-UHFFFAOYSA-N -1 1 365.429 0.620 10 0 FCAEMM CC(C)(C)OC(=O)CN1CC[C@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000595467013 491933346 /nfs/dbraw/zinc/93/33/46/491933346.db2.gz WOJDMYSPILRTFX-LBPRGKRZSA-N -1 1 365.434 0.632 10 0 FCAEMM O=C([C@H](C[C@H]1COCCO1)C(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612814332 491952417 /nfs/dbraw/zinc/95/24/17/491952417.db2.gz BERCWGDAGONYIF-VWYCJHECSA-N -1 1 363.340 0.890 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CN(C)C(=O)N2)c1 ZINC000613208418 491972828 /nfs/dbraw/zinc/97/28/28/491972828.db2.gz VDAIMQZYYOLQHJ-GFCCVEGCSA-N -1 1 370.431 0.385 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnnn2-c2ccccc2Cl)n1 ZINC000603547425 492037132 /nfs/dbraw/zinc/03/71/32/492037132.db2.gz HRTNAXHXZFJTFI-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cnnn2-c2ccccc2Cl)[n-]1 ZINC000603547425 492037135 /nfs/dbraw/zinc/03/71/35/492037135.db2.gz HRTNAXHXZFJTFI-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)ccc1[O-] ZINC000614568876 492039392 /nfs/dbraw/zinc/03/93/92/492039392.db2.gz KODLFXFEBVJFQV-SECBINFHSA-N -1 1 350.400 0.767 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000598006247 492078093 /nfs/dbraw/zinc/07/80/93/492078093.db2.gz POGBHCOJBIOQPT-CMPLNLGQSA-N -1 1 355.416 0.592 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000605531455 492097862 /nfs/dbraw/zinc/09/78/62/492097862.db2.gz ZXRSGDQTFIESNI-UHFFFAOYSA-N -1 1 369.385 0.451 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCNC(=O)Cc2ccccc2)n[n-]1 ZINC000615919213 492107173 /nfs/dbraw/zinc/10/71/73/492107173.db2.gz ABGDVFYQCQTEHN-UHFFFAOYSA-N -1 1 359.386 0.347 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCNC(=O)Cc2ccccc2)n1 ZINC000615919213 492107174 /nfs/dbraw/zinc/10/71/74/492107174.db2.gz ABGDVFYQCQTEHN-UHFFFAOYSA-N -1 1 359.386 0.347 10 0 FCAEMM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cccc([O-])c1Cl ZINC000598675456 492113410 /nfs/dbraw/zinc/11/34/10/492113410.db2.gz XPFONJPZVPYUBZ-QWRGUYRKSA-N -1 1 367.789 0.713 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2cccc(Cl)c2)n[n-]1 ZINC000616030074 492114867 /nfs/dbraw/zinc/11/48/67/492114867.db2.gz QWOOBLFMALARKV-UHFFFAOYSA-N -1 1 365.777 0.681 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2cccc(Cl)c2)n1 ZINC000616030074 492114868 /nfs/dbraw/zinc/11/48/68/492114868.db2.gz QWOOBLFMALARKV-UHFFFAOYSA-N -1 1 365.777 0.681 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(C(=O)OC(C)(C)C)cn3)nc2n1 ZINC000598837984 492119038 /nfs/dbraw/zinc/11/90/38/492119038.db2.gz HWIYOEUALCNIPA-UHFFFAOYSA-N -1 1 370.369 0.751 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]C(C)(C)c2nc(C)no2)on1 ZINC000599301817 492157104 /nfs/dbraw/zinc/15/71/04/492157104.db2.gz BSVJAIQTCPWCHH-UHFFFAOYSA-N -1 1 358.376 0.897 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cnc(C(F)(F)F)nc2)co1 ZINC000617222620 492159821 /nfs/dbraw/zinc/15/98/21/492159821.db2.gz SEDOOKYEYBRFJE-UHFFFAOYSA-N -1 1 364.305 0.927 10 0 FCAEMM CCOC1(CS(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)CCOCC1 ZINC000599346474 492163102 /nfs/dbraw/zinc/16/31/02/492163102.db2.gz KQOMRVWICKPCKM-CYBMUJFWSA-N -1 1 355.428 0.783 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)o1 ZINC000617500459 492172427 /nfs/dbraw/zinc/17/24/27/492172427.db2.gz VEXSRZMGWMXDBB-LLVKDONJSA-N -1 1 363.395 0.505 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c1F ZINC000599453252 492174547 /nfs/dbraw/zinc/17/45/47/492174547.db2.gz NWQOBKAZTOSRMP-JTQLQIEISA-N -1 1 364.370 0.360 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)o1 ZINC000599519966 492182979 /nfs/dbraw/zinc/18/29/79/492182979.db2.gz XQPHSFPCVXHZTR-SKDRFNHKSA-N -1 1 371.371 0.956 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)o1 ZINC000599518532 492183178 /nfs/dbraw/zinc/18/31/78/492183178.db2.gz JEFFRGLLQBVLMZ-KCJUWKMLSA-N -1 1 357.344 0.566 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)o1 ZINC000618901565 492242387 /nfs/dbraw/zinc/24/23/87/492242387.db2.gz HQEMVCMRRNHGTQ-UHFFFAOYSA-N -1 1 354.388 0.988 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000622117280 492455716 /nfs/dbraw/zinc/45/57/16/492455716.db2.gz ZBVYKURSAFGJPM-UHFFFAOYSA-N -1 1 356.360 0.003 10 0 FCAEMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000643450986 492465651 /nfs/dbraw/zinc/46/56/51/492465651.db2.gz MPZBTZKSUNVGLI-RYUDHWBXSA-N -1 1 357.370 0.775 10 0 FCAEMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)C1 ZINC000622871575 492491555 /nfs/dbraw/zinc/49/15/55/492491555.db2.gz AJFMAYOADRYEMA-CMPLNLGQSA-N -1 1 360.418 0.949 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cnc(OCC4CC4)cn3)nc2n1 ZINC000622993565 492498062 /nfs/dbraw/zinc/49/80/62/492498062.db2.gz SJQWCHXLUCBUBP-UHFFFAOYSA-N -1 1 355.358 0.811 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)co1 ZINC000623277809 492537241 /nfs/dbraw/zinc/53/72/41/492537241.db2.gz FGPRQJYWOUBAMO-UHFFFAOYSA-N -1 1 363.395 0.807 10 0 FCAEMM CCO[C@H](CS(=O)(=O)[N-]c1cnn(CC(=O)NC2CC2)c1)C1CC1 ZINC000629287143 492601228 /nfs/dbraw/zinc/60/12/28/492601228.db2.gz GQGFEJBYVABZTG-CQSZACIVSA-N -1 1 356.448 0.719 10 0 FCAEMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(N)=O)cc1)C1CC1 ZINC000629288245 492602851 /nfs/dbraw/zinc/60/28/51/492602851.db2.gz FCJWFRKHJQCIFF-AWEZNQCLSA-N -1 1 369.443 0.459 10 0 FCAEMM CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629496436 492636512 /nfs/dbraw/zinc/63/65/12/492636512.db2.gz TWMWAMLPWDLJJC-BZUAXINKSA-N -1 1 355.479 0.502 10 0 FCAEMM O=S(=O)([N-]Cc1nnnn1C1CC1)c1ncccc1Br ZINC000656922240 492669461 /nfs/dbraw/zinc/66/94/61/492669461.db2.gz YBXFLCBWYPRBIL-UHFFFAOYSA-N -1 1 359.209 0.644 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(O)CCSC1)c1ncccc1Br ZINC000656926257 492670331 /nfs/dbraw/zinc/67/03/31/492670331.db2.gz MHPUFZAMEZHSDL-JTQLQIEISA-N -1 1 353.263 0.990 10 0 FCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ncccc1Br)C(C)C ZINC000656940118 492674442 /nfs/dbraw/zinc/67/44/42/492674442.db2.gz SVFSBCOJCLOVRC-VIFPVBQESA-N -1 1 350.238 0.893 10 0 FCAEMM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000657014837 492694921 /nfs/dbraw/zinc/69/49/21/492694921.db2.gz YQBVEVHKCQGFBV-UHFFFAOYSA-N -1 1 371.278 0.947 10 0 FCAEMM CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000657036133 492701959 /nfs/dbraw/zinc/70/19/59/492701959.db2.gz ZVLJSSXEGLQYJY-SECBINFHSA-N -1 1 367.431 0.587 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(N)=O)co2)c(C(F)(F)F)n1 ZINC000657071692 492709386 /nfs/dbraw/zinc/70/93/86/492709386.db2.gz WAECMBFVVFNHIA-UHFFFAOYSA-N -1 1 353.282 0.004 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1F ZINC000657086025 492712314 /nfs/dbraw/zinc/71/23/14/492712314.db2.gz KESKIXHGHSYOKS-ZDUSSCGKSA-N -1 1 353.799 0.925 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC000651691164 492807928 /nfs/dbraw/zinc/80/79/28/492807928.db2.gz FHYRSCYIJVKMKK-MRXNPFEDSA-N -1 1 370.457 0.952 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000651979230 492857601 /nfs/dbraw/zinc/85/76/01/492857601.db2.gz DCAWYBSBGZOFBW-LBPRGKRZSA-N -1 1 370.417 0.499 10 0 FCAEMM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)CCOC1 ZINC000632495182 493012271 /nfs/dbraw/zinc/01/22/71/493012271.db2.gz JIUQQJFYGLXMBW-WCQYABFASA-N -1 1 355.478 0.066 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCOC[C@H]2c2ccnn2C)c1 ZINC000632514759 493018745 /nfs/dbraw/zinc/01/87/45/493018745.db2.gz XCEOPHAEYXYTTA-ZDUSSCGKSA-N -1 1 353.400 0.897 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000633166572 493137471 /nfs/dbraw/zinc/13/74/71/493137471.db2.gz AIVPWYPTLZPLMY-SNVBAGLBSA-N -1 1 367.207 0.970 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Cc3ccc([O-])c(Cl)c3)C[C@H]21 ZINC000633637184 493174948 /nfs/dbraw/zinc/17/49/48/493174948.db2.gz QPBXWQRTKCRQBK-GDLCADMTSA-N -1 1 359.831 0.859 10 0 FCAEMM COCC1(CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1 ZINC000654094571 493208791 /nfs/dbraw/zinc/20/87/91/493208791.db2.gz WGAHXGJFBJIKBT-UHFFFAOYSA-N -1 1 364.446 0.803 10 0 FCAEMM O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1(c2nn[n-]n2)CC1 ZINC000682689417 493316979 /nfs/dbraw/zinc/31/69/79/493316979.db2.gz CIVDQNZQNCVYSI-UHFFFAOYSA-N -1 1 370.822 0.327 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc[nH]1 ZINC000684886327 493437512 /nfs/dbraw/zinc/43/75/12/493437512.db2.gz JCDMRAMWMHHBJY-UHFFFAOYSA-N -1 1 351.384 0.994 10 0 FCAEMM O=C(CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Nc1ccc2c(c1)OCCCO2 ZINC000662220283 493497628 /nfs/dbraw/zinc/49/76/28/493497628.db2.gz GWBRGNROLHUFAS-KZULUSFZSA-N -1 1 362.382 0.819 10 0 FCAEMM O=C([O-])C1(CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)CCC1 ZINC000663141609 493574523 /nfs/dbraw/zinc/57/45/23/493574523.db2.gz NNNMVBGKOJBZNN-UHFFFAOYSA-N -1 1 362.354 0.614 10 0 FCAEMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nc(N(C)C)no3)n2)cc1 ZINC000663248477 493580077 /nfs/dbraw/zinc/58/00/77/493580077.db2.gz OUBWKHVXPIBLHV-UHFFFAOYSA-N -1 1 364.387 0.903 10 0 FCAEMM COc1ccc(-c2nc(S(=O)(=O)Cc3nc(N(C)C)no3)n[n-]2)cc1 ZINC000663248477 493580078 /nfs/dbraw/zinc/58/00/78/493580078.db2.gz OUBWKHVXPIBLHV-UHFFFAOYSA-N -1 1 364.387 0.903 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)C1CCC1 ZINC000663601436 493602785 /nfs/dbraw/zinc/60/27/85/493602785.db2.gz APQUQNNECDBLKN-ZDUSSCGKSA-N -1 1 357.370 0.823 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)C1CCC1 ZINC000663631363 493606977 /nfs/dbraw/zinc/60/69/77/493606977.db2.gz ZLDYZFQCKYTOBV-HUUCEWRRSA-N -1 1 351.447 0.737 10 0 FCAEMM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677924839 493624913 /nfs/dbraw/zinc/62/49/13/493624913.db2.gz AZODQTLDACFLAJ-SNVBAGLBSA-N -1 1 350.404 0.175 10 0 FCAEMM COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000677926494 493624973 /nfs/dbraw/zinc/62/49/73/493624973.db2.gz JYTUIKZDTYUYDZ-LLVKDONJSA-N -1 1 374.401 0.353 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)co1 ZINC000672186916 493741463 /nfs/dbraw/zinc/74/14/63/493741463.db2.gz OSMWOAOEGAQYLM-APPZFPTMSA-N -1 1 356.322 0.980 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000411659001 527830446 /nfs/dbraw/zinc/83/04/46/527830446.db2.gz NWRCBJBMGDHGLA-CYBMUJFWSA-N -1 1 365.434 0.491 10 0 FCAEMM COC[C@](C)(O)CCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000452353027 536646676 /nfs/dbraw/zinc/64/66/76/536646676.db2.gz CUCQHEONURSCFO-OAHLLOKOSA-N -1 1 362.448 0.874 10 0 FCAEMM COC(=O)c1coc(C[N-]S(=O)(=O)c2cnc(OC)c(Cl)c2)n1 ZINC000593646435 546735917 /nfs/dbraw/zinc/73/59/17/546735917.db2.gz XJLFGXQLSWKSPN-UHFFFAOYSA-N -1 1 361.763 0.997 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594744008 546818344 /nfs/dbraw/zinc/81/83/44/546818344.db2.gz FWGVVVLAJAQLSX-PMPSAXMXSA-N -1 1 371.455 0.742 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2ncccc2Br)CCOC1 ZINC000594759869 546820535 /nfs/dbraw/zinc/82/05/35/546820535.db2.gz MAOGIJSOPCMKME-LLVKDONJSA-N -1 1 365.205 0.455 10 0 FCAEMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594791921 546825154 /nfs/dbraw/zinc/82/51/54/546825154.db2.gz AGOMIAMPTBLCGO-AGIUHOORSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)o1 ZINC000594803020 546827839 /nfs/dbraw/zinc/82/78/39/546827839.db2.gz IHELBOUOMPXEAC-NSHDSACASA-N -1 1 364.379 0.932 10 0 FCAEMM CCN1CCN(C(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1 ZINC000262984796 665224268 /nfs/dbraw/zinc/22/42/68/665224268.db2.gz NAXPUXBOAWOWFL-QJPTWQEYSA-N -1 1 351.369 0.734 10 0 FCAEMM C/C=C/[C@H](O)C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000908972704 666222540 /nfs/dbraw/zinc/22/25/40/666222540.db2.gz UVXODQCCOLTVBP-HZZZHAEWSA-N -1 1 364.364 0.998 10 0 FCAEMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000921317622 666431963 /nfs/dbraw/zinc/43/19/63/666431963.db2.gz FKIDOUVARLTJTM-AAEUAGOBSA-N -1 1 366.436 0.269 10 0 FCAEMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC000921317624 666432045 /nfs/dbraw/zinc/43/20/45/666432045.db2.gz FKIDOUVARLTJTM-WCQYABFASA-N -1 1 366.436 0.269 10 0 FCAEMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000921380351 666442359 /nfs/dbraw/zinc/44/23/59/666442359.db2.gz UBMNWQBFSHRXQG-ZETCQYMHSA-N -1 1 359.326 0.295 10 0 FCAEMM COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000921381694 666442606 /nfs/dbraw/zinc/44/26/06/666442606.db2.gz KPHJQDFWOKYBBP-LSDHHAIUSA-N -1 1 374.434 0.160 10 0 FCAEMM CCN1C[C@H](S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)OC)CC1=O ZINC000921385313 666443361 /nfs/dbraw/zinc/44/33/61/666443361.db2.gz MIZIQTBYLWMMMB-KGLIPLIRSA-N -1 1 372.418 0.450 10 0 FCAEMM CC(C)(CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000921490004 666454309 /nfs/dbraw/zinc/45/43/09/666454309.db2.gz WMOIWYYNKSGXCI-UHFFFAOYSA-N -1 1 360.379 0.710 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)Cc1ccsc1Br)C(N)=O ZINC000914303402 666737313 /nfs/dbraw/zinc/73/73/13/666737313.db2.gz YQEFIXZECSCJOM-SSDOTTSWSA-N -1 1 357.251 0.430 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)(F)F ZINC000921599251 667141422 /nfs/dbraw/zinc/14/14/22/667141422.db2.gz QMMKLIILBZCXGW-GWNMQOMSSA-N -1 1 351.416 0.965 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(Cl)cnc1Cl ZINC000918968701 667146817 /nfs/dbraw/zinc/14/68/17/667146817.db2.gz AUXGWUXMGYZGRZ-JTQLQIEISA-N -1 1 370.258 0.360 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)c1C(F)(F)F ZINC000866973984 667149973 /nfs/dbraw/zinc/14/99/73/667149973.db2.gz PMGQYTNTZHDMLA-ZETCQYMHSA-N -1 1 361.367 0.294 10 0 FCAEMM O=C(NN/C=C1/C(=O)[N-]C(=S)NC1=O)c1ccccc1Br ZINC000028978806 667168612 /nfs/dbraw/zinc/16/86/12/667168612.db2.gz LLFQVNGKXHZGMI-UHFFFAOYSA-N -1 1 369.200 0.939 10 0 FCAEMM O=C(NN/C=C1\C(=O)[N-]C(=S)NC1=O)c1ccccc1Br ZINC000028978806 667168614 /nfs/dbraw/zinc/16/86/14/667168614.db2.gz LLFQVNGKXHZGMI-UHFFFAOYSA-N -1 1 369.200 0.939 10 0 FCAEMM O=C(NNC=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1Br ZINC000028978806 667168616 /nfs/dbraw/zinc/16/86/16/667168616.db2.gz LLFQVNGKXHZGMI-UHFFFAOYSA-N -1 1 369.200 0.939 10 0 FCAEMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCN1CCC2(C1)OCCO2 ZINC000920090171 667222882 /nfs/dbraw/zinc/22/28/82/667222882.db2.gz VBHZELQPJIKGDM-JOCHJYFZSA-N -1 1 369.509 0.166 10 0 FCAEMM O=C1COc2ccccc2CN1CC[N-]S(=O)(=O)c1ccns1 ZINC000920936529 667261530 /nfs/dbraw/zinc/26/15/30/667261530.db2.gz IIVJOILXLHQWAZ-UHFFFAOYSA-N -1 1 353.425 0.843 10 0 FCAEMM COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)[C@H]2C[C@H]21 ZINC000921989948 667560448 /nfs/dbraw/zinc/56/04/48/667560448.db2.gz LKWZLYIXBWHAGX-XAVMHZPKSA-N -1 1 367.349 0.915 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCc3nnn(C)c3C2)c1C(F)(F)F ZINC000922039428 667572685 /nfs/dbraw/zinc/57/26/85/667572685.db2.gz REMLMFKNVGFKQA-ZETCQYMHSA-N -1 1 364.353 0.403 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2csc(CC(=O)NC)n2)o1 ZINC000754817002 667612160 /nfs/dbraw/zinc/61/21/60/667612160.db2.gz OMKVAWXPLLGGOT-UHFFFAOYSA-N -1 1 373.412 0.290 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2csc(CC(=O)NC)n2)co1 ZINC000756404218 667673090 /nfs/dbraw/zinc/67/30/90/667673090.db2.gz MFYVROAFZACYGR-UHFFFAOYSA-N -1 1 373.412 0.290 10 0 FCAEMM Cn1ncc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000805100949 667680459 /nfs/dbraw/zinc/68/04/59/667680459.db2.gz PBFOPAURWDIOAX-UHFFFAOYSA-N -1 1 364.836 0.351 10 0 FCAEMM C[C@H]1CCN(S(=O)(=O)[C@H]2CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805126817 667712597 /nfs/dbraw/zinc/71/25/97/667712597.db2.gz IBISRHGFLRHHOO-NAKRPEOUSA-N -1 1 358.382 0.883 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c(Br)n1C ZINC000700143740 667730317 /nfs/dbraw/zinc/73/03/17/667730317.db2.gz KGDNUSBNWOOPQN-SECBINFHSA-N -1 1 367.269 0.100 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1cc(Br)cnc1Cl ZINC000707055168 667791067 /nfs/dbraw/zinc/79/10/67/667791067.db2.gz DCJLCKLZHIJIBE-SFYZADRCSA-N -1 1 371.640 0.926 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805183144 667812114 /nfs/dbraw/zinc/81/21/14/667812114.db2.gz AVBAPRIIIZXRGY-GUDRVLHUSA-N -1 1 364.368 0.704 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000866988293 667943284 /nfs/dbraw/zinc/94/32/84/667943284.db2.gz NTVKVJSQXORMME-DTWKUNHWSA-N -1 1 356.370 0.436 10 0 FCAEMM C[C@@H](CN(C)C(=O)C=Cc1ccc(NS(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000774001862 668117495 /nfs/dbraw/zinc/11/74/95/668117495.db2.gz ISBJQSQDSWGKBT-LAHYYIKRSA-N -1 1 364.431 0.847 10 0 FCAEMM O=S(=O)(c1ncc(-c2ccc(F)cc2)[n-]1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000774007461 668118121 /nfs/dbraw/zinc/11/81/21/668118121.db2.gz KUEXCWFCHHGZLV-NEPJUHHUSA-N -1 1 360.388 0.147 10 0 FCAEMM O=S(=O)(c1nc(-c2ccc(F)cc2)c[n-]1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000774007461 668118125 /nfs/dbraw/zinc/11/81/25/668118125.db2.gz KUEXCWFCHHGZLV-NEPJUHHUSA-N -1 1 360.388 0.147 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)ccc1F ZINC000776686911 668286308 /nfs/dbraw/zinc/28/63/08/668286308.db2.gz QDEYFGWAAJZBPY-UHFFFAOYSA-N -1 1 374.390 0.393 10 0 FCAEMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)cc21 ZINC000778954684 668401213 /nfs/dbraw/zinc/40/12/13/668401213.db2.gz SEGIIGNUNHCOTJ-UHFFFAOYSA-N -1 1 359.264 0.601 10 0 FCAEMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000783260789 668607068 /nfs/dbraw/zinc/60/70/68/668607068.db2.gz ARZKVQAJYZJHBJ-IONNQARKSA-N -1 1 363.338 0.519 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC000789901279 668866718 /nfs/dbraw/zinc/86/67/18/668866718.db2.gz HLTFJEVWFCGUDA-MRVPVSSYSA-N -1 1 371.419 0.404 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC000789901279 668866719 /nfs/dbraw/zinc/86/67/19/668866719.db2.gz HLTFJEVWFCGUDA-MRVPVSSYSA-N -1 1 371.419 0.404 10 0 FCAEMM COC[C@@](C)([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000790035666 668870472 /nfs/dbraw/zinc/87/04/72/668870472.db2.gz BDXIRGYIPZKMMC-CQSZACIVSA-N -1 1 366.436 0.103 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCC1CS(=O)(=O)C1 ZINC000790649252 668880117 /nfs/dbraw/zinc/88/01/17/668880117.db2.gz BWWQGCLTKHDDJU-UHFFFAOYSA-N -1 1 367.427 0.962 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2nc(Br)ccc2F)[n-]1 ZINC000792639736 668906314 /nfs/dbraw/zinc/90/63/14/668906314.db2.gz ZWVTWYXRSNZFIH-UHFFFAOYSA-N -1 1 364.156 0.757 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2nc(Br)ccc2F)n[n-]1 ZINC000792639736 668906315 /nfs/dbraw/zinc/90/63/15/668906315.db2.gz ZWVTWYXRSNZFIH-UHFFFAOYSA-N -1 1 364.156 0.757 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469070 668929394 /nfs/dbraw/zinc/92/93/94/668929394.db2.gz NYYPXPFTQJNEBL-VHSXEESVSA-N -1 1 354.325 0.218 10 0 FCAEMM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000819886873 669035265 /nfs/dbraw/zinc/03/52/65/669035265.db2.gz DLTYGWYCIMAJIO-UHFFFAOYSA-N -1 1 358.445 0.488 10 0 FCAEMM COC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795963587 669073858 /nfs/dbraw/zinc/07/38/58/669073858.db2.gz NYUDRGFKWUBDHE-ZETCQYMHSA-N -1 1 355.771 0.551 10 0 FCAEMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)[n-]1 ZINC000796369691 669097785 /nfs/dbraw/zinc/09/77/85/669097785.db2.gz RJBAJELKVSPILW-SECBINFHSA-N -1 1 351.359 0.084 10 0 FCAEMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000820723958 669118689 /nfs/dbraw/zinc/11/86/89/669118689.db2.gz NLCSRCCONPHMKM-LLVKDONJSA-N -1 1 372.834 0.840 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(S(N)(=O)=O)cc3)ccnc1-2 ZINC000806490222 669417357 /nfs/dbraw/zinc/41/73/57/669417357.db2.gz PPCAMVCTASBQOG-UHFFFAOYSA-N -1 1 360.399 0.311 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCc3ncccc3S(C)(=O)=O)ccnc1-2 ZINC000806491337 669417585 /nfs/dbraw/zinc/41/75/85/669417585.db2.gz IOUJIRCROHAWAT-UHFFFAOYSA-N -1 1 360.399 0.462 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1=O ZINC000811422870 669751252 /nfs/dbraw/zinc/75/12/52/669751252.db2.gz HAVWWRXIMXIBBO-SSDOTTSWSA-N -1 1 354.285 0.607 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)Nc2nc(Br)ccc2[O-])n1 ZINC000816953047 669989802 /nfs/dbraw/zinc/98/98/02/669989802.db2.gz YCIZPTXMANMQJP-UHFFFAOYSA-N -1 1 373.188 0.996 10 0 FCAEMM CN1CCN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000867149310 670017974 /nfs/dbraw/zinc/01/79/74/670017974.db2.gz XLOPAIIIXPNRSS-QFIPXVFZSA-N -1 1 360.505 0.225 10 0 FCAEMM C[S@](=O)(=NS(=O)(=O)[N-]CCN1CCCOCC1)c1ccccc1 ZINC000867157550 670024436 /nfs/dbraw/zinc/02/44/36/670024436.db2.gz ZYPLCMWIKUJPJF-JOCHJYFZSA-N -1 1 361.489 0.700 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)c1C(F)(F)F ZINC000867220086 670087240 /nfs/dbraw/zinc/08/72/40/670087240.db2.gz FXRUGZXVFINBMO-RKDXNWHRSA-N -1 1 357.354 0.362 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)C2CCOCC2)c1C(F)(F)F ZINC000867220203 670087367 /nfs/dbraw/zinc/08/73/67/670087367.db2.gz JKSRORACIIHMDC-VIFPVBQESA-N -1 1 357.354 0.505 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(=O)NCC(F)F)c1C(F)(F)F ZINC000867221729 670088199 /nfs/dbraw/zinc/08/81/99/670088199.db2.gz YWHGBONVUAWDJC-UHFFFAOYSA-N -1 1 350.269 0.099 10 0 FCAEMM CS[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1 ZINC000867249940 670530467 /nfs/dbraw/zinc/53/04/67/670530467.db2.gz QZWSBRGAIDUXIV-KYZUINATSA-N -1 1 366.477 0.374 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1F ZINC000841559069 670594287 /nfs/dbraw/zinc/59/42/87/670594287.db2.gz ZRRUUYBHWFDRTE-UHFFFAOYSA-N -1 1 362.354 0.651 10 0 FCAEMM COc1ccn2c(c1)ncc2C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843013180 670766155 /nfs/dbraw/zinc/76/61/55/670766155.db2.gz BCMFBHBOXYPHSA-UHFFFAOYSA-N -1 1 366.443 0.887 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2sccc2-n2ccnn2)CCC1 ZINC000843016096 670767391 /nfs/dbraw/zinc/76/73/91/670767391.db2.gz ZYCDLBZFDXZOHL-UHFFFAOYSA-N -1 1 369.472 0.873 10 0 FCAEMM C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018206 670768026 /nfs/dbraw/zinc/76/80/26/670768026.db2.gz IURTXRSDPBZIRB-GFCCVEGCSA-N -1 1 359.492 0.612 10 0 FCAEMM CC(=O)Nc1nc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)cs1 ZINC000843018549 670768617 /nfs/dbraw/zinc/76/86/17/670768617.db2.gz WLCYKZUTUZXJQD-UHFFFAOYSA-N -1 1 360.461 0.645 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)OCO3)CCC1 ZINC000843019771 670769296 /nfs/dbraw/zinc/76/92/96/670769296.db2.gz VVXCBFQSGKJGAL-UHFFFAOYSA-N -1 1 354.428 0.888 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2sccc2-n2cnnn2)CCC1 ZINC000843019355 670769325 /nfs/dbraw/zinc/76/93/25/670769325.db2.gz OKORMSQDIUTOCA-UHFFFAOYSA-N -1 1 370.460 0.268 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c(=O)n(C)c1=O ZINC000845979106 671060389 /nfs/dbraw/zinc/06/03/89/671060389.db2.gz GVEKHDHEGVKHKZ-NEPJUHHUSA-N -1 1 353.803 0.067 10 0 FCAEMM C[C@]1(CS(=O)(=O)[N-]CC(=O)N=S(C)(C)=O)CC1(Cl)Cl ZINC000867428632 671124486 /nfs/dbraw/zinc/12/44/86/671124486.db2.gz MVCQNVCENHPVJX-MRVPVSSYSA-N -1 1 351.277 0.744 10 0 FCAEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(C)(C)C ZINC000849381149 671332175 /nfs/dbraw/zinc/33/21/75/671332175.db2.gz NKPUECZTVWJPLG-RWMBFGLXSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000849432012 671342989 /nfs/dbraw/zinc/34/29/89/671342989.db2.gz QXFNERYOEUFECW-IMTBSYHQSA-N -1 1 354.178 0.651 10 0 FCAEMM CN(C1CCOCC1)S(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000849448076 671347559 /nfs/dbraw/zinc/34/75/59/671347559.db2.gz ZIIKEVXPYQVJKA-OAHLLOKOSA-N -1 1 364.464 0.432 10 0 FCAEMM Cc1c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cnn1C ZINC000851699320 671459806 /nfs/dbraw/zinc/45/98/06/671459806.db2.gz AZIFAFNJNYNXRW-UWVGGRQHSA-N -1 1 362.308 0.465 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC(=O)Nc1ccon1 ZINC000852737412 671522179 /nfs/dbraw/zinc/52/21/79/671522179.db2.gz SJOMYCLZXFBUSA-XCBNKYQSSA-N -1 1 364.280 0.209 10 0 FCAEMM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])on1 ZINC000852958201 671533985 /nfs/dbraw/zinc/53/39/85/671533985.db2.gz GGQKVDBYCDNEID-MWLCHTKSSA-N -1 1 363.292 0.648 10 0 FCAEMM COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1)OC ZINC000853205516 671542014 /nfs/dbraw/zinc/54/20/14/671542014.db2.gz GSEYLEAAYJELHF-LBPRGKRZSA-N -1 1 354.388 0.193 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)OC ZINC000853209344 671543255 /nfs/dbraw/zinc/54/32/55/671543255.db2.gz JCVJJHKNLONHIJ-BXUZGUMPSA-N -1 1 354.444 0.306 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)CCc2ccc(Cl)cc2)COC1 ZINC000903175320 675918239 /nfs/dbraw/zinc/91/82/39/675918239.db2.gz OTLKJXINWXGDRV-UHFFFAOYSA-N -1 1 367.876 0.616 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)COC1 ZINC000903177193 675918785 /nfs/dbraw/zinc/91/87/85/675918785.db2.gz ZUIDALQFWNWYAW-UHFFFAOYSA-N -1 1 371.839 0.712 10 0 FCAEMM CCC(CC)(C(=O)COC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)OC ZINC000803503034 675931345 /nfs/dbraw/zinc/93/13/45/675931345.db2.gz HXWNMWIBZLABOV-UHFFFAOYSA-N -1 1 353.375 0.954 10 0 FCAEMM CC(C)(C)OC(=O)NCCCOCCNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000858782727 671776396 /nfs/dbraw/zinc/77/63/96/671776396.db2.gz WVGISFFLNRWJST-UHFFFAOYSA-N -1 1 352.395 0.775 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1COCCO1)c1ccc(Br)nc1F ZINC000858913906 671782556 /nfs/dbraw/zinc/78/25/56/671782556.db2.gz OFLYUDVOHWBDJJ-SSDOTTSWSA-N -1 1 355.185 0.677 10 0 FCAEMM O=S(=O)([N-]CC1(CO)COC1)c1ccc(Br)nc1F ZINC000859074279 671791870 /nfs/dbraw/zinc/79/18/70/671791870.db2.gz CDLRHTRBEBAZTG-UHFFFAOYSA-N -1 1 355.185 0.270 10 0 FCAEMM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cccc(F)c1F ZINC000903541982 675941473 /nfs/dbraw/zinc/94/14/73/675941473.db2.gz OXGZIPDEAXCAOF-SECBINFHSA-N -1 1 354.400 0.020 10 0 FCAEMM CCN1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000859178492 671798448 /nfs/dbraw/zinc/79/84/48/671798448.db2.gz JOKPQVIRCFOOQZ-ZETCQYMHSA-N -1 1 366.212 0.882 10 0 FCAEMM COC(=O)N(C)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859224998 671802470 /nfs/dbraw/zinc/80/24/70/671802470.db2.gz LQULRWLIRNQAHM-UHFFFAOYSA-N -1 1 370.200 0.960 10 0 FCAEMM CNS(=O)(=O)C[C@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000860195172 671874955 /nfs/dbraw/zinc/87/49/55/671874955.db2.gz QIMCDFIKARDURN-HNNXBMFYSA-N -1 1 355.460 0.496 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=S)NCCN2CCOCC2)C1 ZINC000865275133 672236738 /nfs/dbraw/zinc/23/67/38/672236738.db2.gz IEBNXQXWJITKPS-CYBMUJFWSA-N -1 1 368.425 0.336 10 0 FCAEMM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866558332 672282266 /nfs/dbraw/zinc/28/22/66/672282266.db2.gz ZTWOVADJDYVWIX-YTEVENLXSA-N -1 1 359.473 0.989 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCNC(=O)C(C)(C)C)c1C(F)(F)F ZINC000866683376 672287857 /nfs/dbraw/zinc/28/78/57/672287857.db2.gz XPCPCKVENNCPQN-UHFFFAOYSA-N -1 1 356.370 0.880 10 0 FCAEMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866710533 672290805 /nfs/dbraw/zinc/29/08/05/672290805.db2.gz ZRTLHJUMSMNUEE-QMMMGPOBSA-N -1 1 370.353 0.948 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c1C(F)(F)F ZINC000866792858 672306544 /nfs/dbraw/zinc/30/65/44/672306544.db2.gz CAAAWOLVTAGXTI-VIFPVBQESA-N -1 1 357.354 0.913 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c1C(F)(F)F ZINC000867465836 672320910 /nfs/dbraw/zinc/32/09/10/672320910.db2.gz HPPLDFFCSVUHSU-LLVKDONJSA-N -1 1 357.354 0.649 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]C(c2ccnn2C)c2ccnn2C)sn1 ZINC000867567495 672338817 /nfs/dbraw/zinc/33/88/17/672338817.db2.gz VYEZZMCKNPSXNV-UHFFFAOYSA-N -1 1 352.445 0.986 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000868746706 672409208 /nfs/dbraw/zinc/40/92/08/672409208.db2.gz NDBPLOXDECDRRQ-QWHCGFSZSA-N -1 1 353.341 0.380 10 0 FCAEMM COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2cncc([O-])c2)CCO1 ZINC000870899520 672517902 /nfs/dbraw/zinc/51/79/02/672517902.db2.gz QPWIZTYAIUPWAP-KRWDZBQOSA-N -1 1 352.387 0.987 10 0 FCAEMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CN1CCCCC1 ZINC000872452234 672620002 /nfs/dbraw/zinc/62/00/02/672620002.db2.gz IEDAFHHYFJXCMR-GTJPDFRWSA-N -1 1 355.526 0.564 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000927962174 673894604 /nfs/dbraw/zinc/89/46/04/673894604.db2.gz WRUVVPWGYROKQX-SMDDNHRTSA-N -1 1 353.394 0.772 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000801976152 675815997 /nfs/dbraw/zinc/81/59/97/675815997.db2.gz PCOIBWBWSWBXOK-CYBMUJFWSA-N -1 1 366.292 0.976 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cnc1Br ZINC001650754381 1168470240 /nfs/dbraw/zinc/47/02/40/1168470240.db2.gz AGGQLPPOYWOIRJ-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cnc1Br ZINC001650754381 1168470250 /nfs/dbraw/zinc/47/02/50/1168470250.db2.gz AGGQLPPOYWOIRJ-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM CCn1nc(C(=O)Nc2[n-]nc(OCCO)c2C(=O)OC)cc1C1CC1 ZINC001648868877 1169086722 /nfs/dbraw/zinc/08/67/22/1169086722.db2.gz DIQGTPPOCCUHOM-UHFFFAOYSA-N -1 1 363.374 0.914 10 0 FCAEMM CC/C(C)=C\C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001719629206 1170846923 /nfs/dbraw/zinc/84/69/23/1170846923.db2.gz HPCQGLBAIYSOIP-GIQRUMHBSA-N -1 1 362.430 0.389 10 0 FCAEMM CC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001719698776 1179492454 /nfs/dbraw/zinc/49/24/54/1179492454.db2.gz JOKWZJIJAQIGAK-GMTAPVOTSA-N -1 1 366.418 0.767 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1cccc(CN2CCOCC2)c1 ZINC000509924889 1186302202 /nfs/dbraw/zinc/30/22/02/1186302202.db2.gz IUJCJLSUPCKTBW-UHFFFAOYSA-N -1 1 370.409 0.988 10 0 FCAEMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001269766975 1187867234 /nfs/dbraw/zinc/86/72/34/1187867234.db2.gz YYSVLAWHPZMZII-UPJWGTAASA-N -1 1 364.450 0.130 10 0 FCAEMM O=C(NC[C@@H]1CNC(=O)C1)c1ccc(I)c([O-])c1 ZINC000398317942 1188083533 /nfs/dbraw/zinc/08/35/33/1188083533.db2.gz XBNMCLABGXWXOP-ZETCQYMHSA-N -1 1 360.151 0.863 10 0 FCAEMM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719910199 1191048324 /nfs/dbraw/zinc/04/83/24/1191048324.db2.gz WRULVMCOYFYPQB-SYQHCUMBSA-N -1 1 374.441 0.797 10 0 FCAEMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001719910198 1191048459 /nfs/dbraw/zinc/04/84/59/1191048459.db2.gz WRULVMCOYFYPQB-RQJABVFESA-N -1 1 374.441 0.797 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000912179550 1196333161 /nfs/dbraw/zinc/33/31/61/1196333161.db2.gz LYACIDCSTZJXQC-IAGOWNOFSA-N -1 1 371.437 0.911 10 0 FCAEMM C[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302167 1196419687 /nfs/dbraw/zinc/41/96/87/1196419687.db2.gz PXCOUONEKIWQRP-SNVBAGLBSA-N -1 1 360.370 0.952 10 0 FCAEMM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN(C)[C@@H](C(C)C)C3)cc2=O)n1 ZINC000913761663 1197126371 /nfs/dbraw/zinc/12/63/71/1197126371.db2.gz VHTMIXNVXKTMNS-OAHLLOKOSA-N -1 1 358.446 0.985 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccn(Cc2ccccc2)n1 ZINC000793488002 1201238268 /nfs/dbraw/zinc/23/82/68/1201238268.db2.gz LNPUXBRTJPBRNL-UHFFFAOYSA-N -1 1 353.382 0.488 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccnc1-2 ZINC000806482409 1202744943 /nfs/dbraw/zinc/74/49/43/1202744943.db2.gz PMYVYIPPJGHBTO-CYBMUJFWSA-N -1 1 372.429 0.445 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@H](c4ccccn4)C3)ccnc1-2 ZINC000807074499 1202810658 /nfs/dbraw/zinc/81/06/58/1202810658.db2.gz RWPYNIQRTHJUNF-LBPRGKRZSA-N -1 1 350.382 0.691 10 0 FCAEMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(N3CCN(C)CC3)n2)C1=O ZINC000813548367 1202998530 /nfs/dbraw/zinc/99/85/30/1202998530.db2.gz YSOSMUWGSBXZLT-QGZVFWFLSA-N -1 1 360.418 0.199 10 0 FCAEMM O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001144254835 1204442362 /nfs/dbraw/zinc/44/23/62/1204442362.db2.gz FXLJHASLLOYACM-AWEZNQCLSA-N -1 1 367.369 0.024 10 0 FCAEMM CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000846132493 1204588773 /nfs/dbraw/zinc/58/87/73/1204588773.db2.gz FXJNSRUOVJMJKY-CYBMUJFWSA-N -1 1 364.402 0.194 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cn2ccnn2)o1 ZINC001175214676 1206301771 /nfs/dbraw/zinc/30/17/71/1206301771.db2.gz RPJNBCPLJOBXSO-UHFFFAOYSA-N -1 1 356.342 0.418 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001175345432 1206303673 /nfs/dbraw/zinc/30/36/73/1206303673.db2.gz PICDMSLOQYUMRC-GUYCJALGSA-N -1 1 373.413 0.100 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(C)nn2C2CCOCC2)n[n-]1 ZINC001183194545 1206450199 /nfs/dbraw/zinc/45/01/99/1206450199.db2.gz ZTUGIASMOTXNFD-UHFFFAOYSA-N -1 1 362.390 0.768 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)nn2C2CCOCC2)n1 ZINC001183194545 1206450202 /nfs/dbraw/zinc/45/02/02/1206450202.db2.gz ZTUGIASMOTXNFD-UHFFFAOYSA-N -1 1 362.390 0.768 10 0 FCAEMM Cc1cc(C)n(CCC(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)n1 ZINC001489280784 1208757789 /nfs/dbraw/zinc/75/77/89/1208757789.db2.gz MENGSSYQEHFUCU-KGLIPLIRSA-N -1 1 361.450 0.091 10 0 FCAEMM CCCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001490073183 1209213081 /nfs/dbraw/zinc/21/30/81/1209213081.db2.gz JWTDOZSPVKWSNW-OLZOCXBDSA-N -1 1 350.419 0.223 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCO[C@H](CC(F)(F)F)C3)ccnc1-2 ZINC000850720524 1209487265 /nfs/dbraw/zinc/48/72/65/1209487265.db2.gz IHBTVXYUBRAIOF-SECBINFHSA-N -1 1 371.319 0.460 10 0 FCAEMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc(C)n1 ZINC000851703226 1209516696 /nfs/dbraw/zinc/51/66/96/1209516696.db2.gz OIJLGRPNBUWTMI-ONGXEEELSA-N -1 1 374.319 0.830 10 0 FCAEMM NC(=O)c1cccc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737052 1209561921 /nfs/dbraw/zinc/56/19/21/1209561921.db2.gz QFJJPHFMDYZOHI-NEPJUHHUSA-N -1 1 373.331 0.882 10 0 FCAEMM NC(=O)c1cccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737052 1209561927 /nfs/dbraw/zinc/56/19/27/1209561927.db2.gz QFJJPHFMDYZOHI-NEPJUHHUSA-N -1 1 373.331 0.882 10 0 FCAEMM Cn1cc(-c2ccnc(C3CCN(Cc4nc(=O)n(C)[n-]4)CC3)n2)cn1 ZINC000854101567 1209615412 /nfs/dbraw/zinc/61/54/12/1209615412.db2.gz AJIKAVBGDVOAEZ-UHFFFAOYSA-N -1 1 354.418 0.679 10 0 FCAEMM O=C(NC1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1)OCc1ccccc1 ZINC000859279100 1209815281 /nfs/dbraw/zinc/81/52/81/1209815281.db2.gz YNFKNRCBSBKUGT-ZDUSSCGKSA-N -1 1 372.385 0.559 10 0 FCAEMM NC(=O)c1ccc(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000861772573 1209881407 /nfs/dbraw/zinc/88/14/07/1209881407.db2.gz VSBNUXBKVJNZHB-LLVKDONJSA-N -1 1 372.347 0.640 10 0 FCAEMM CCOC(=O)C1=CC[C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000862048091 1209894060 /nfs/dbraw/zinc/89/40/60/1209894060.db2.gz GIMJHTIPIOLFQO-LLVKDONJSA-N -1 1 357.370 0.048 10 0 FCAEMM CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000862685998 1209921742 /nfs/dbraw/zinc/92/17/42/1209921742.db2.gz ZNFNGDBOOUXZJJ-AWEZNQCLSA-N -1 1 361.354 0.209 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cccc(-n2cncn2)c1 ZINC000128285085 1210523153 /nfs/dbraw/zinc/52/31/53/1210523153.db2.gz ASVRXSKYGFGFKB-UHFFFAOYSA-N -1 1 365.353 0.706 10 0 FCAEMM CNC(=O)c1cncc(/C=C\C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC001274693894 1211103249 /nfs/dbraw/zinc/10/32/49/1211103249.db2.gz WHAFZOCSKQWODZ-ARJAWSKDSA-N -1 1 353.342 0.133 10 0 FCAEMM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275935947 1211312927 /nfs/dbraw/zinc/31/29/27/1211312927.db2.gz GCIYJNGCNLRPKC-NGFQHRJXSA-N -1 1 359.430 0.527 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001275935946 1211313189 /nfs/dbraw/zinc/31/31/89/1211313189.db2.gz GCIYJNGCNLRPKC-MYPMTAMASA-N -1 1 359.430 0.527 10 0 FCAEMM CC(C)NC(=O)C(=O)N1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929099949 1211616861 /nfs/dbraw/zinc/61/68/61/1211616861.db2.gz MFPTYWFHQUNUCQ-CQSZACIVSA-N -1 1 361.442 0.880 10 0 FCAEMM C[C@@H]1CCN(C[C@H]2CN=C(c3cnn(C)c3)O2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000931074327 1211738564 /nfs/dbraw/zinc/73/85/64/1211738564.db2.gz COLCTKZPZFQGDV-RTXFEEFZSA-N -1 1 373.379 0.954 10 0 FCAEMM CC(=O)N1CCCN(C(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000933104624 1211835189 /nfs/dbraw/zinc/83/51/89/1211835189.db2.gz RPCNFHDCFUROCM-UHFFFAOYSA-N -1 1 369.368 0.410 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000047060103 1211936168 /nfs/dbraw/zinc/93/61/68/1211936168.db2.gz WGARMCPCBWKNSX-VIFPVBQESA-N -1 1 371.319 0.900 10 0 FCAEMM O=C(C=CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)Nc1ccc2n[nH]cc2c1 ZINC000778932781 1211939217 /nfs/dbraw/zinc/93/92/17/1211939217.db2.gz CSZRKAIBTQUYIQ-GZTOBOFZSA-N -1 1 366.385 0.977 10 0 FCAEMM CCN1C[C@H](c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)CC1=O ZINC000351390610 1214786235 /nfs/dbraw/zinc/78/62/35/1214786235.db2.gz LRTAZODICIRZRN-LLVKDONJSA-N -1 1 360.436 0.250 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)NCc1n[nH]c(=O)[n-]1 ZINC001491530701 1220152267 /nfs/dbraw/zinc/15/22/67/1220152267.db2.gz QAPZJJUMWRAVIY-CFVMTHIKSA-N -1 1 359.430 0.895 10 0 FCAEMM O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148064 1221280087 /nfs/dbraw/zinc/28/00/87/1221280087.db2.gz LGYLYBFRGPOPRR-STQMWFEESA-N -1 1 371.397 0.585 10 0 FCAEMM CN(CCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1)C(=O)OC(C)(C)C ZINC000798269678 1221283322 /nfs/dbraw/zinc/28/33/22/1221283322.db2.gz AWYYZHCOIDRUFR-UHFFFAOYSA-N -1 1 368.438 0.657 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CC(=O)N1Cc1ccccc1 ZINC000799087127 1221301761 /nfs/dbraw/zinc/30/17/61/1221301761.db2.gz JMXIYMVGMVEXIC-HIFRSBDPSA-N -1 1 370.409 0.233 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCOC[C@H]1C ZINC001116773775 1221389490 /nfs/dbraw/zinc/38/94/90/1221389490.db2.gz QMUFBROTSKHYKS-IUODEOHRSA-N -1 1 364.446 0.801 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cccn(C)c3=O)CC2)n1 ZINC001116820432 1221392832 /nfs/dbraw/zinc/39/28/32/1221392832.db2.gz CXGGFPHGTKCCKP-UHFFFAOYSA-N -1 1 359.386 0.700 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)CCOC1 ZINC001119574496 1221934807 /nfs/dbraw/zinc/93/48/07/1221934807.db2.gz CZGNMBIUVVOYJR-GVTIMSHASA-N -1 1 374.393 0.816 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001119644507 1221944109 /nfs/dbraw/zinc/94/41/09/1221944109.db2.gz ZHYQJLYPVOEIIJ-CVEARBPZSA-N -1 1 368.478 0.288 10 0 FCAEMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)C1 ZINC001119654434 1221945838 /nfs/dbraw/zinc/94/58/38/1221945838.db2.gz WXVZWHGHUXVOAS-DOTOQJQBSA-N -1 1 368.474 0.857 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000831296944 1222495194 /nfs/dbraw/zinc/49/51/94/1222495194.db2.gz WUJJOAUGULHJBL-IPYPFGDCSA-N -1 1 360.414 0.904 10 0 FCAEMM O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001138436792 1222506907 /nfs/dbraw/zinc/50/69/07/1222506907.db2.gz BPJQFMDESPQQMF-LBPRGKRZSA-N -1 1 372.410 0.783 10 0 FCAEMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000836951124 1222632488 /nfs/dbraw/zinc/63/24/88/1222632488.db2.gz RKZTZRUREXFOOK-UHFFFAOYSA-N -1 1 372.303 0.664 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n[n-]1 ZINC001166126629 1223267853 /nfs/dbraw/zinc/26/78/53/1223267853.db2.gz MEZGHOAVLASIOB-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)[n-]1 ZINC001166126629 1223267856 /nfs/dbraw/zinc/26/78/56/1223267856.db2.gz MEZGHOAVLASIOB-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n1 ZINC001166126629 1223267858 /nfs/dbraw/zinc/26/78/58/1223267858.db2.gz MEZGHOAVLASIOB-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C1CCCCCC1 ZINC000848350902 1245367654 /nfs/dbraw/zinc/36/76/54/1245367654.db2.gz VEGGSILDERVRND-OAHLLOKOSA-N -1 1 365.430 0.945 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000922455065 1245679097 /nfs/dbraw/zinc/67/90/97/1245679097.db2.gz BRUIPEKUEFNERC-PXAZEXFGSA-N -1 1 357.414 0.721 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001515292922 1265493979 /nfs/dbraw/zinc/49/39/79/1265493979.db2.gz SPYXVLIZJGKFGT-OLZOCXBDSA-N -1 1 362.430 0.622 10 0 FCAEMM C=CS(=O)(=O)CCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001518218131 1265655196 /nfs/dbraw/zinc/65/51/96/1265655196.db2.gz VAJMLMWFIGMSPJ-SNVBAGLBSA-N -1 1 356.366 0.852 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001519770841 1265768948 /nfs/dbraw/zinc/76/89/48/1265768948.db2.gz SYMKPURLVKCBTI-FRRDWIJNSA-N -1 1 362.430 0.811 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCNC(=O)NC)CCN1C(=O)c1ncccc1[O-] ZINC001519792424 1265771978 /nfs/dbraw/zinc/77/19/78/1265771978.db2.gz CQOPFKAXGDSPGS-NWDGAFQWSA-N -1 1 363.418 0.216 10 0 FCAEMM C/C=C(\C)C(=O)N1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001519934775 1265807999 /nfs/dbraw/zinc/80/79/99/1265807999.db2.gz FFVRRAQIPQWVQN-QSTROWBPSA-N -1 1 362.430 0.389 10 0 FCAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCN2CCOC[C@]2(CO)C1 ZINC001520743487 1265985113 /nfs/dbraw/zinc/98/51/13/1265985113.db2.gz FTMUJDICHDNRSN-LJQANCHMSA-N -1 1 358.394 0.770 10 0 FCAEMM COCCCC(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001520903715 1266034995 /nfs/dbraw/zinc/03/49/95/1266034995.db2.gz PMVVJVJIFNWJLV-ZJUUUORDSA-N -1 1 368.390 0.042 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001521893761 1266202996 /nfs/dbraw/zinc/20/29/96/1266202996.db2.gz HJSUUOZXMZGJQR-JHJVBQTASA-N -1 1 362.430 0.526 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)nc2C1 ZINC001168692587 1259390173 /nfs/dbraw/zinc/39/01/73/1259390173.db2.gz DVEFTSKRKJCZBL-WFASDCNBSA-N -1 1 353.386 0.877 10 0 FCAEMM Cc1cccc(C[C@@H](CO)NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001235545158 1259575303 /nfs/dbraw/zinc/57/53/03/1259575303.db2.gz NHJRRLIZZJMGOH-AWEZNQCLSA-N -1 1 372.425 0.966 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCCC[C@@H]1C1OCCO1 ZINC001235546492 1259578794 /nfs/dbraw/zinc/57/87/94/1259578794.db2.gz SNAAKBXYSGHUMA-CYBMUJFWSA-N -1 1 364.402 0.692 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)c(=O)c2c(OC)c1 ZINC001331714931 1266271764 /nfs/dbraw/zinc/27/17/64/1266271764.db2.gz AYKJMZRSLVVVHB-LJQANCHMSA-N -1 1 371.393 0.898 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2OC3CCC2CC3)C1 ZINC001335656488 1259767732 /nfs/dbraw/zinc/76/77/32/1259767732.db2.gz VZZGNSRVWQUNIJ-RPFQZYLTSA-N -1 1 363.336 0.741 10 0 FCAEMM CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001335764224 1259828977 /nfs/dbraw/zinc/82/89/77/1259828977.db2.gz MLGJKTXXJGKQPI-GJZGRUSLSA-N -1 1 372.368 0.639 10 0 FCAEMM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001337779603 1260482774 /nfs/dbraw/zinc/48/27/74/1260482774.db2.gz JZBBNEUGANFDTQ-AUSJPIAWSA-N -1 1 369.421 0.972 10 0 FCAEMM COC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001282306727 1261410708 /nfs/dbraw/zinc/41/07/08/1261410708.db2.gz MFDORWDMRGXYMY-IPYPFGDCSA-N -1 1 363.414 0.369 10 0 FCAEMM O=C(CC1(n2cnnn2)CCOCC1)NCCc1c(F)cc([O-])cc1F ZINC001472041464 1261427844 /nfs/dbraw/zinc/42/78/44/1261427844.db2.gz KUGZLWPAIASSFP-UHFFFAOYSA-N -1 1 367.356 0.912 10 0 FCAEMM CON(CCNC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ncccc1[O-] ZINC001472392010 1261462549 /nfs/dbraw/zinc/46/25/49/1261462549.db2.gz FHFSXHKHTARTDX-UHFFFAOYSA-N -1 1 368.390 0.432 10 0 FCAEMM O=C(NN1CC(=O)NC1=O)c1ccc(I)cc1[O-] ZINC001472486667 1261470604 /nfs/dbraw/zinc/47/06/04/1261470604.db2.gz ULRBTVHJAVWBJG-UHFFFAOYSA-N -1 1 361.095 0.193 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)C(=O)NCCO3)n[n-]1 ZINC001472545350 1261473805 /nfs/dbraw/zinc/47/38/05/1261473805.db2.gz KNFLACUTTNIGEB-UHFFFAOYSA-N -1 1 359.342 0.034 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)C(=O)NCCO3)n1 ZINC001472545350 1261473809 /nfs/dbraw/zinc/47/38/09/1261473809.db2.gz KNFLACUTTNIGEB-UHFFFAOYSA-N -1 1 359.342 0.034 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001282486741 1261479458 /nfs/dbraw/zinc/47/94/58/1261479458.db2.gz PBRQXSAQPHPBIJ-JHJVBQTASA-N -1 1 360.414 0.138 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1c[nH]c(=O)cn1 ZINC001282560521 1261531223 /nfs/dbraw/zinc/53/12/23/1261531223.db2.gz VGGKCOACRNWHFR-VXGBXAGGSA-N -1 1 371.397 0.399 10 0 FCAEMM COC[C@@H](OC)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282561616 1261531324 /nfs/dbraw/zinc/53/13/24/1261531324.db2.gz KRVNCDAHFPEWFF-UMVBOHGHSA-N -1 1 365.430 0.663 10 0 FCAEMM CCN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)CCn1cc[n-]c(=O)c1=O ZINC001284635420 1261774191 /nfs/dbraw/zinc/77/41/91/1261774191.db2.gz MDMXVRIEXIPAPQ-FZKQIMNGSA-N -1 1 362.430 0.082 10 0 FCAEMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ncccc1[O-] ZINC001285100228 1261810371 /nfs/dbraw/zinc/81/03/71/1261810371.db2.gz RZBBQIQXAZYJQB-JHJVBQTASA-N -1 1 357.414 0.949 10 0 FCAEMM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001285730263 1261870848 /nfs/dbraw/zinc/87/08/48/1261870848.db2.gz FLSJVHPQDFLLTA-KVMADOOQSA-N -1 1 372.425 0.718 10 0 FCAEMM CNC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001290119926 1262383308 /nfs/dbraw/zinc/38/33/08/1262383308.db2.gz VNCPXEKNMJJHBA-QWHCGFSZSA-N -1 1 362.430 0.718 10 0 FCAEMM CC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001290870767 1262524555 /nfs/dbraw/zinc/52/45/55/1262524555.db2.gz GLBWWKJGZVHQQW-BFHYXJOUSA-N -1 1 364.446 0.184 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001290928414 1262537908 /nfs/dbraw/zinc/53/79/08/1262537908.db2.gz ULBNLZUKPBWBOC-JHJVBQTASA-N -1 1 362.430 0.526 10 0 FCAEMM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001291600409 1262564217 /nfs/dbraw/zinc/56/42/17/1262564217.db2.gz ZEKCWXXWIRFOQO-YRGRVCCFSA-N -1 1 362.430 0.526 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001291965525 1262621795 /nfs/dbraw/zinc/62/17/95/1262621795.db2.gz TXZDGYGYUWQCNU-IMSYWVGJSA-N -1 1 368.365 0.506 10 0 FCAEMM C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2)C1CC1 ZINC001292158351 1262657674 /nfs/dbraw/zinc/65/76/74/1262657674.db2.gz FIJSIHATCWQOPR-MYPMTAMASA-N -1 1 374.441 0.221 10 0 FCAEMM COC(=O)c1ccc(N2CCN(C(=O)CCc3nn[n-]n3)[C@H](C)C2)cc1 ZINC001292687379 1262700081 /nfs/dbraw/zinc/70/00/81/1262700081.db2.gz UZLRFIQHPMSWCC-GFCCVEGCSA-N -1 1 358.402 0.656 10 0 FCAEMM O=C(CN1CCCCC(=O)C1=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001293574445 1262719555 /nfs/dbraw/zinc/71/95/55/1262719555.db2.gz KHHAPTKPXWMMEP-UHFFFAOYSA-N -1 1 358.358 0.299 10 0 FCAEMM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001295759385 1262778851 /nfs/dbraw/zinc/77/88/51/1262778851.db2.gz QXZYDGUMXJVTMI-NSHDSACASA-N -1 1 361.406 0.871 10 0 FCAEMM COC(=O)N1CCC([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001296638936 1262829309 /nfs/dbraw/zinc/82/93/09/1262829309.db2.gz LJHLWJUGSKOSHB-LLVKDONJSA-N -1 1 364.402 0.500 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCSC[C@H]1c1nn[n-]n1 ZINC001296691439 1262831848 /nfs/dbraw/zinc/83/18/48/1262831848.db2.gz WIOSVLCHNXIJLF-KMOQFTEPSA-N -1 1 372.410 0.861 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)C(C)C ZINC001298017809 1262907228 /nfs/dbraw/zinc/90/72/28/1262907228.db2.gz JSNZQKIDPBHDCJ-NQBHXWOUSA-N -1 1 360.418 0.334 10 0 FCAEMM COC(=O)c1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1OC ZINC001300236267 1262986334 /nfs/dbraw/zinc/98/63/34/1262986334.db2.gz INLBSEDJLHXZLE-UHFFFAOYSA-N -1 1 359.338 0.951 10 0 FCAEMM C[C@@H]1[C@@H](C)N(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C)C(=O)N1C ZINC001479159252 1263174071 /nfs/dbraw/zinc/17/40/71/1263174071.db2.gz YFELZOPPOVQUTA-MXWKQRLJSA-N -1 1 363.418 0.404 10 0 FCAEMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC(O)(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001484956818 1263492807 /nfs/dbraw/zinc/49/28/07/1263492807.db2.gz UDMFBJGCPILENC-MELADBBJSA-N -1 1 363.462 0.780 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001496337888 1263872496 /nfs/dbraw/zinc/87/24/96/1263872496.db2.gz ZIUOTWGAMTYCMD-NXEZZACHSA-N -1 1 366.418 0.767 10 0 FCAEMM O=C(NCC1(NC(=O)[C@]23C[C@H]2COC3)CC1)c1cnc(C2CC2)[n-]c1=O ZINC001506066067 1264288300 /nfs/dbraw/zinc/28/83/00/1264288300.db2.gz BBUOEYZVDULSQH-VOJFVSQTSA-N -1 1 358.398 0.475 10 0 FCAEMM O=C([O-])CN1CC[C@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1=O ZINC001333621709 1266654648 /nfs/dbraw/zinc/65/46/48/1266654648.db2.gz DNVRLBVGMZWUNN-HNNXBMFYSA-N -1 1 351.447 0.833 10 0 FCAEMM COC[C@@H](C(N)=O)N(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001324371291 1264628205 /nfs/dbraw/zinc/62/82/05/1264628205.db2.gz MCCQUHIGCODUQR-AWEZNQCLSA-N -1 1 373.413 0.444 10 0 FCAEMM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)C(F)(F)F ZINC001512925772 1264742770 /nfs/dbraw/zinc/74/27/70/1264742770.db2.gz BCPXREKPGYZUMU-IQJOONFLSA-N -1 1 361.320 0.677 10 0 FCAEMM COC(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001515029592 1265401557 /nfs/dbraw/zinc/40/15/57/1265401557.db2.gz XPNYMRYTQUVXKV-WDEREUQCSA-N -1 1 350.375 0.158 10 0 FCAEMM CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001522262307 1266449729 /nfs/dbraw/zinc/44/97/29/1266449729.db2.gz ACOUQWBLMVLJJZ-REBRKWNGSA-N -1 1 374.441 0.938 10 0 FCAEMM O=C([O-])CC[C@@H](CN1CCOCC1)NCc1cnn(-c2ccccc2)n1 ZINC001333185754 1266549688 /nfs/dbraw/zinc/54/96/88/1266549688.db2.gz PRYNAIMPEORMJS-HNNXBMFYSA-N -1 1 359.430 0.923 10 0 FCAEMM O=C(NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cnc(C2CC2)[n-]c1=O ZINC001522648315 1266569439 /nfs/dbraw/zinc/56/94/39/1266569439.db2.gz FBYIQKAEWBSLRG-SGMGOOAPSA-N -1 1 360.414 0.721 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@H]2CC(C)(C)CO2)CC1 ZINC001333316806 1266576590 /nfs/dbraw/zinc/57/65/90/1266576590.db2.gz QOQCOSGHGKWMBH-HNNXBMFYSA-N -1 1 370.494 0.535 10 0 FCAEMM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc3cnccn3n2)n1 ZINC001532152647 1267159869 /nfs/dbraw/zinc/15/98/69/1267159869.db2.gz HKUSVOKPKWRSSG-UHFFFAOYSA-N -1 1 352.763 0.829 10 0 FCAEMM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ncccc1[O-] ZINC001532848439 1267189432 /nfs/dbraw/zinc/18/94/32/1267189432.db2.gz UZWWRXLOHHXREH-FRRDWIJNSA-N -1 1 362.430 0.559 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)C3CCN(CC(F)(F)F)CC3)nc2n1 ZINC001334825326 1267191029 /nfs/dbraw/zinc/19/10/29/1267191029.db2.gz NLDNYKGLEIFYFO-UHFFFAOYSA-N -1 1 358.324 0.939 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC001540076380 1267439327 /nfs/dbraw/zinc/43/93/27/1267439327.db2.gz BVOIJPSFOUFNKK-UHFFFAOYSA-N -1 1 374.488 0.761 10 0 FCAEMM COc1ccc([C@H](CNC(=O)CCc2nn[n-]n2)N2CCOCC2)cc1 ZINC001540579456 1267453323 /nfs/dbraw/zinc/45/33/23/1267453323.db2.gz XRTVFLCEYRCPQX-HNNXBMFYSA-N -1 1 360.418 0.331 10 0 FCAEMM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001542348583 1267494633 /nfs/dbraw/zinc/49/46/33/1267494633.db2.gz JUNDBCYSRZGCRG-WDEREUQCSA-N -1 1 368.459 0.907 10 0 FCAEMM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001542348582 1267495203 /nfs/dbraw/zinc/49/52/03/1267495203.db2.gz JUNDBCYSRZGCRG-QWRGUYRKSA-N -1 1 368.459 0.907 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001543062894 1267521354 /nfs/dbraw/zinc/52/13/54/1267521354.db2.gz HZKCASXPTFKVBG-OLZOCXBDSA-N -1 1 353.444 0.440 10 0 FCAEMM O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001544938059 1267598675 /nfs/dbraw/zinc/59/86/75/1267598675.db2.gz NSOGAPJVVWHTOO-LLVKDONJSA-N -1 1 370.369 0.752 10 0 FCAEMM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC001339007437 1268147132 /nfs/dbraw/zinc/14/71/32/1268147132.db2.gz YXPPFHPEKRLGFO-PMPSAXMXSA-N -1 1 368.478 0.336 10 0 FCAEMM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CN3CCOCC3)C2)O1 ZINC001339601431 1268279849 /nfs/dbraw/zinc/27/98/49/1268279849.db2.gz CTHZSIVIBZPKDY-OWCLPIDISA-N -1 1 354.447 0.970 10 0 FCAEMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001556436153 1268854498 /nfs/dbraw/zinc/85/44/98/1268854498.db2.gz NHUNOYNXUGSFCE-WCQYABFASA-N -1 1 366.443 0.504 10 0 FCAEMM O=C(Cn1cnc2sccc2c1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558047713 1269011204 /nfs/dbraw/zinc/01/12/04/1269011204.db2.gz ACUIWPFRMSQBJA-UHFFFAOYSA-N -1 1 373.394 0.343 10 0 FCAEMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC1(c2nn[n-]n2)CCC1 ZINC001558173292 1269045501 /nfs/dbraw/zinc/04/55/01/1269045501.db2.gz JZQMPUNESPFVAM-UHFFFAOYSA-N -1 1 355.358 0.201 10 0 FCAEMM CNS(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCC2)ccc1F ZINC001558173242 1269045870 /nfs/dbraw/zinc/04/58/70/1269045870.db2.gz IGKZKDRYJYOOEH-UHFFFAOYSA-N -1 1 354.367 0.056 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001558173296 1269046550 /nfs/dbraw/zinc/04/65/50/1269046550.db2.gz KDRJTGQXFYAXMB-HZMBPMFUSA-N -1 1 371.319 0.506 10 0 FCAEMM COc1cnc(C2(NC(=O)[C@@H]3CSCC(=O)N3)CCCC2)[n-]c1=O ZINC001558575774 1269115779 /nfs/dbraw/zinc/11/57/79/1269115779.db2.gz IUHDAKKKPXACRQ-VIFPVBQESA-N -1 1 352.416 0.308 10 0 FCAEMM COc1cnc(C2(NC(=O)Cc3nnc(N)s3)CCCC2)[n-]c1=O ZINC001558576610 1269116076 /nfs/dbraw/zinc/11/60/76/1269116076.db2.gz YXCSMXISWGYXAG-UHFFFAOYSA-N -1 1 350.404 0.753 10 0 FCAEMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001558802502 1269142153 /nfs/dbraw/zinc/14/21/53/1269142153.db2.gz JKVNICJVIBKTSS-XYPYZODXSA-N -1 1 364.402 0.689 10 0 FCAEMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc2c(c1)C(=O)NC2=O ZINC001558936847 1269153788 /nfs/dbraw/zinc/15/37/88/1269153788.db2.gz DMGIRUBILLSTAV-UHFFFAOYSA-N -1 1 364.321 0.915 10 0 FCAEMM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001565595726 1269480736 /nfs/dbraw/zinc/48/07/36/1269480736.db2.gz XQSJPFGBWULAPE-UHFFFAOYSA-N -1 1 366.418 0.937 10 0 FCAEMM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCO[C@H](c3nn[n-]n3)C1)C2 ZINC001565614635 1269482906 /nfs/dbraw/zinc/48/29/06/1269482906.db2.gz VWSYYQJMOYGWQU-SUMWQHHRSA-N -1 1 357.370 0.580 10 0 FCAEMM CCC[C@@H](OCC)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1CC ZINC001566020438 1269557744 /nfs/dbraw/zinc/55/77/44/1269557744.db2.gz JTZNCIQSJGYAQW-BFHYXJOUSA-N -1 1 353.467 0.783 10 0 FCAEMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001568334878 1269728066 /nfs/dbraw/zinc/72/80/66/1269728066.db2.gz APEORFDMDADUPA-JHJVBQTASA-N -1 1 361.450 0.668 10 0 FCAEMM CSc1nc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc(=O)[n-]1 ZINC001570806840 1269916163 /nfs/dbraw/zinc/91/61/63/1269916163.db2.gz ZSTRHZKDGZHCGP-YUMQZZPRSA-N -1 1 364.349 0.977 10 0 FCAEMM C[C@H](CCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1ncccc1[O-] ZINC001572097841 1269994562 /nfs/dbraw/zinc/99/45/62/1269994562.db2.gz VNRFHGKGXVRRGA-XUJVJEKNSA-N -1 1 351.403 0.606 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(Cc3nnn[n-]3)n1C[C@@H]1CCOC1)C2 ZINC001344192852 1270111647 /nfs/dbraw/zinc/11/16/47/1270111647.db2.gz WNBQWSZNRIULQZ-HZMBPMFUSA-N -1 1 366.376 0.654 10 0 FCAEMM FC1(F)C[C@]12CCN(c1nnc(Cc3nn[n-]n3)n1C[C@@H]1CCOC1)C2 ZINC001344192852 1270111650 /nfs/dbraw/zinc/11/16/50/1270111650.db2.gz WNBQWSZNRIULQZ-HZMBPMFUSA-N -1 1 366.376 0.654 10 0 FCAEMM CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001573185896 1270646052 /nfs/dbraw/zinc/64/60/52/1270646052.db2.gz YLANJBOEQFLNQU-QWHCGFSZSA-N -1 1 350.419 0.128 10 0 FCAEMM CC[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001573563321 1270831410 /nfs/dbraw/zinc/83/14/10/1270831410.db2.gz GAZONRMYVQZEEC-HLTSFMKQSA-N -1 1 356.354 0.364 10 0 FCAEMM C[C@@H](CC(N)=O)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001574026103 1271003345 /nfs/dbraw/zinc/00/33/45/1271003345.db2.gz YJWBGGLYDMEYED-YNEHKIRRSA-N -1 1 362.430 0.513 10 0 FCAEMM COC(=O)C[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)cc1OC ZINC001631778617 1282111305 /nfs/dbraw/zinc/11/13/05/1282111305.db2.gz JLYSNPQCKZMKCP-LBPRGKRZSA-N -1 1 363.374 0.570 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)[n-]1 ZINC001584257055 1282146261 /nfs/dbraw/zinc/14/62/61/1282146261.db2.gz MYBIBAGYCVQYAP-UHFFFAOYSA-N -1 1 350.331 0.273 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]1 ZINC001584268012 1282147999 /nfs/dbraw/zinc/14/79/99/1282147999.db2.gz AOMWMFICRBEYDK-SNVBAGLBSA-N -1 1 373.369 0.729 10 0 FCAEMM O=C(CCCCCO)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001632232508 1282164131 /nfs/dbraw/zinc/16/41/31/1282164131.db2.gz IWVZJMAESSJKGI-UHFFFAOYSA-N -1 1 372.443 0.904 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)n[n-]1 ZINC001632562781 1282187278 /nfs/dbraw/zinc/18/72/78/1282187278.db2.gz POMSSGVRRJKXFX-VHSXEESVSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)[n-]1 ZINC001632562781 1282187287 /nfs/dbraw/zinc/18/72/87/1282187287.db2.gz POMSSGVRRJKXFX-VHSXEESVSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)n1 ZINC001632562781 1282187291 /nfs/dbraw/zinc/18/72/91/1282187291.db2.gz POMSSGVRRJKXFX-VHSXEESVSA-N -1 1 371.463 0.807 10 0 FCAEMM C[C@]1(c2ccc(C(=O)N3CCC(c4nn[n-]n4)CC3)cc2)NC(=O)NC1=O ZINC001632649988 1282195303 /nfs/dbraw/zinc/19/53/03/1282195303.db2.gz FOOGJSZXHHZDNN-QGZVFWFLSA-N -1 1 369.385 0.274 10 0 FCAEMM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001632992460 1282222592 /nfs/dbraw/zinc/22/25/92/1282222592.db2.gz IGQFUSUGHFIIKB-SSDOTTSWSA-N -1 1 369.179 0.285 10 0 FCAEMM O=C(CNC(=O)c1c([O-])cccc1F)NCC(=O)NCc1ccccc1 ZINC001634180693 1282307899 /nfs/dbraw/zinc/30/78/99/1282307899.db2.gz JSXKWCUWAFLQJR-UHFFFAOYSA-N -1 1 359.357 0.694 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)n[n-]1 ZINC001634277461 1282315156 /nfs/dbraw/zinc/31/51/56/1282315156.db2.gz UZJZMSXHKDEFDR-NSHDSACASA-N -1 1 372.447 0.620 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)[n-]1 ZINC001634277461 1282315167 /nfs/dbraw/zinc/31/51/67/1282315167.db2.gz UZJZMSXHKDEFDR-NSHDSACASA-N -1 1 372.447 0.620 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CC2CS(=O)(=O)C2)n1 ZINC001634277461 1282315176 /nfs/dbraw/zinc/31/51/76/1282315176.db2.gz UZJZMSXHKDEFDR-NSHDSACASA-N -1 1 372.447 0.620 10 0 FCAEMM CSc1ncc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(=O)[n-]1 ZINC001586847009 1282317615 /nfs/dbraw/zinc/31/76/15/1282317615.db2.gz DRVMDLMWUNJZTC-UOWDBTKRSA-N -1 1 351.388 0.012 10 0 FCAEMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cnncc1[O-] ZINC001634473523 1282333139 /nfs/dbraw/zinc/33/31/39/1282333139.db2.gz NEQMWXNPTWPZQS-JTQLQIEISA-N -1 1 351.388 0.607 10 0 FCAEMM CCC[C@@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1nn[n-]n1 ZINC001587598059 1282366502 /nfs/dbraw/zinc/36/65/02/1282366502.db2.gz PGQMPMWPIATUBO-VXNVDRBHSA-N -1 1 369.476 0.822 10 0 FCAEMM CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H]1Cc1ccccc1 ZINC001634985966 1282369823 /nfs/dbraw/zinc/36/98/23/1282369823.db2.gz XOKVTBHAEKRWPX-INIZCTEOSA-N -1 1 368.437 0.902 10 0 FCAEMM Cn1cc(N2C[C@@H](C(=O)N3CCC(c4nn[n-]n4)CC3)CCC2=O)cn1 ZINC001587875010 1282383909 /nfs/dbraw/zinc/38/39/09/1282383909.db2.gz LPPNCZLGXCWJCU-LBPRGKRZSA-N -1 1 358.406 0.082 10 0 FCAEMM CC(C)(C)OC(=O)COCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588032734 1282399999 /nfs/dbraw/zinc/39/99/99/1282399999.db2.gz KEWFECMMSRIPJT-UHFFFAOYSA-N -1 1 353.375 0.229 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001636995867 1282550575 /nfs/dbraw/zinc/55/05/75/1282550575.db2.gz ITXFCIFMHUUWLD-UHFFFAOYSA-N -1 1 361.402 0.871 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(=O)n(C)cc1Br ZINC001637057215 1282556002 /nfs/dbraw/zinc/55/60/02/1282556002.db2.gz DEWSKBXQBZTHAP-UHFFFAOYSA-N -1 1 369.223 0.959 10 0 FCAEMM Cn1cc(CCC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])nn1 ZINC001637134639 1282566820 /nfs/dbraw/zinc/56/68/20/1282566820.db2.gz KBAPTTACYIYUES-UHFFFAOYSA-N -1 1 365.415 0.533 10 0 FCAEMM CN(CC(F)(F)Br)C(=O)CNC(=O)c1ncccc1[O-] ZINC001637148149 1282568120 /nfs/dbraw/zinc/56/81/20/1282568120.db2.gz CBPFFUNKBDPZPO-UHFFFAOYSA-N -1 1 352.135 0.963 10 0 FCAEMM CCOC(=O)c1cnc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001638537013 1282705189 /nfs/dbraw/zinc/70/51/89/1282705189.db2.gz ZPLCCXFSBMSWTH-UHFFFAOYSA-N -1 1 368.390 0.897 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 ZINC001638537013 1282705194 /nfs/dbraw/zinc/70/51/94/1282705194.db2.gz ZPLCCXFSBMSWTH-UHFFFAOYSA-N -1 1 368.390 0.897 10 0 FCAEMM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC001639228218 1282761700 /nfs/dbraw/zinc/76/17/00/1282761700.db2.gz MFBRQJZEJMFZOQ-SKDRFNHKSA-N -1 1 362.379 0.551 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)[n-]c1=O ZINC001640132619 1282840586 /nfs/dbraw/zinc/84/05/86/1282840586.db2.gz RNGOMRDKXPECQL-AXFHLTTASA-N -1 1 357.432 0.924 10 0 FCAEMM CCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001640133775 1282842847 /nfs/dbraw/zinc/84/28/47/1282842847.db2.gz ZJPBHPLWEPAFBB-LLVKDONJSA-N -1 1 372.447 0.574 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CNC(=O)C2CCCCC2)n[n-]1 ZINC001640225612 1282848378 /nfs/dbraw/zinc/84/83/78/1282848378.db2.gz SHCXUTKUVGOCMJ-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CNC(=O)C2CCCCC2)[n-]1 ZINC001640225612 1282848386 /nfs/dbraw/zinc/84/83/86/1282848386.db2.gz SHCXUTKUVGOCMJ-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CNC(=O)C2CCCCC2)n1 ZINC001640225612 1282848396 /nfs/dbraw/zinc/84/83/96/1282848396.db2.gz SHCXUTKUVGOCMJ-JTQLQIEISA-N -1 1 351.407 0.855 10 0 FCAEMM O=C(c1cnncc1[O-])N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001640419748 1282862491 /nfs/dbraw/zinc/86/24/91/1282862491.db2.gz MEYHGDYXPBEPAA-OKILXGFUSA-N -1 1 352.350 0.439 10 0 FCAEMM CC(C)CN1C(=O)C(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001640689716 1282890990 /nfs/dbraw/zinc/89/09/90/1282890990.db2.gz YQCOPLIDLXLYQP-UHFFFAOYSA-N -1 1 351.281 0.071 10 0 FCAEMM NC(=O)c1cccc2c1CCN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001641273187 1282937270 /nfs/dbraw/zinc/93/72/70/1282937270.db2.gz HQQFUWWXNILPLJ-UHFFFAOYSA-N -1 1 354.366 0.201 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CO)c1cncn1C ZINC001641748318 1282972695 /nfs/dbraw/zinc/97/26/95/1282972695.db2.gz AGEXCXIBIBRALF-CYBMUJFWSA-N -1 1 358.402 0.568 10 0 FCAEMM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1O ZINC001682385642 1283587506 /nfs/dbraw/zinc/58/75/06/1283587506.db2.gz FQFSTZRHSVGDLC-LERXQTSPSA-N -1 1 362.430 0.797 10 0 FCAEMM CN(C)S(=O)(=O)NCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001682552862 1283669941 /nfs/dbraw/zinc/66/99/41/1283669941.db2.gz NVNGVNXEOGPMMK-UHFFFAOYSA-N -1 1 350.828 0.241 10 0 FCAEMM C[C@H]1OCC[C@@]12CN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CCO2 ZINC001683595027 1284053240 /nfs/dbraw/zinc/05/32/40/1284053240.db2.gz SQUBYAQRMRKILV-PIGZYNQJSA-N -1 1 364.402 0.344 10 0 FCAEMM CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001702433682 1285674063 /nfs/dbraw/zinc/67/40/63/1285674063.db2.gz BBNGNQYWLFXCHD-ZIAGYGMSSA-N -1 1 364.446 0.661 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@H](C)NC(N)=O ZINC001702623420 1285757706 /nfs/dbraw/zinc/75/77/06/1285757706.db2.gz FBLISTIRPVVMCI-SDDRHHMPSA-N -1 1 363.418 0.343 10 0 FCAEMM Cc1cnc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c([O-])c1 ZINC001595732056 1286261598 /nfs/dbraw/zinc/26/15/98/1286261598.db2.gz SLMRUMMMNYTPJN-ZDUSSCGKSA-N -1 1 364.427 0.831 10 0 FCAEMM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001597103521 1286327883 /nfs/dbraw/zinc/32/78/83/1286327883.db2.gz SHGOUJNXQKOLJA-QMMMGPOBSA-N -1 1 356.433 0.237 10 0 FCAEMM CC(C)(C)OC(=O)NC/C=C/CNC(=O)CNC(=O)c1ncccc1[O-] ZINC001597519207 1286349836 /nfs/dbraw/zinc/34/98/36/1286349836.db2.gz SAURNPMQWBPHGK-SNAWJCMRSA-N -1 1 364.402 0.714 10 0 FCAEMM CCOC(=O)N1CSC[C@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597555192 1286350277 /nfs/dbraw/zinc/35/02/77/1286350277.db2.gz YKHWVUNOSRTRRL-JTQLQIEISA-N -1 1 370.431 0.729 10 0 FCAEMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001597713420 1286358251 /nfs/dbraw/zinc/35/82/51/1286358251.db2.gz PJBFUOPXLNTFPE-HZSPNIEDSA-N -1 1 367.450 0.570 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)C[C@H]1C ZINC001597910497 1286369303 /nfs/dbraw/zinc/36/93/03/1286369303.db2.gz IFKSCYZMGLYUBL-SNVBAGLBSA-N -1 1 354.432 0.614 10 0 FCAEMM CCCCNC(=O)[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001598422028 1286391930 /nfs/dbraw/zinc/39/19/30/1286391930.db2.gz YSBZICDEXJECJF-JTQLQIEISA-N -1 1 352.391 0.665 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)COc2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001707203362 1286510508 /nfs/dbraw/zinc/51/05/08/1286510508.db2.gz GITQYVUWAMXEGE-LSDHHAIUSA-N -1 1 359.430 0.657 10 0 FCAEMM CC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001719208699 1287869497 /nfs/dbraw/zinc/86/94/97/1287869497.db2.gz SWMABPUHZRTAFW-JKSUJKDBSA-N -1 1 370.409 0.057 10 0 FCAEMM CC[C@@H](F)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001736116712 1289156165 /nfs/dbraw/zinc/15/61/65/1289156165.db2.gz UVGUUFQQCLXODT-YNEHKIRRSA-N -1 1 368.409 0.076 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@@H](C)OC ZINC001719487900 1288144175 /nfs/dbraw/zinc/14/41/75/1288144175.db2.gz ABXNPSJZTVQOSU-UMVBOHGHSA-N -1 1 365.430 0.806 10 0 FCAEMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001721534767 1288347814 /nfs/dbraw/zinc/34/78/14/1288347814.db2.gz XAXAFIVDBFLYDI-GEWABHDNSA-N -1 1 363.414 0.606 10 0 FCAEMM CC(=O)N1CCN(c2ccccc2CNC(=O)CCc2nn[n-]n2)CC1 ZINC001607874115 1288741430 /nfs/dbraw/zinc/74/14/30/1288741430.db2.gz BJMWMWLFNCGBEL-UHFFFAOYSA-N -1 1 357.418 0.117 10 0 FCAEMM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1OC ZINC001735867412 1288964556 /nfs/dbraw/zinc/96/45/56/1288964556.db2.gz UDHMXRXAQDRSQO-OASPWFOLSA-N -1 1 364.402 0.050 10 0 FCAEMM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1OC ZINC001735867413 1288964645 /nfs/dbraw/zinc/96/46/45/1288964645.db2.gz UDHMXRXAQDRSQO-ZWKOPEQDSA-N -1 1 364.402 0.050 10 0 FCAEMM CCC[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001736255433 1289221270 /nfs/dbraw/zinc/22/12/70/1289221270.db2.gz IOLMPBRBLYZIBD-MJBXVCDLSA-N -1 1 364.446 0.469 10 0 FCAEMM CCOCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001736260378 1289224775 /nfs/dbraw/zinc/22/47/75/1289224775.db2.gz HEVYMMOSAHZNHW-RDBSUJKOSA-N -1 1 365.430 0.948 10 0 FCAEMM C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001736402623 1289315029 /nfs/dbraw/zinc/31/50/29/1289315029.db2.gz LETWWVJZLOVFPY-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM CC(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001736453863 1289359618 /nfs/dbraw/zinc/35/96/18/1289359618.db2.gz DMXSSYQBSSDOSL-MDZLAQPJSA-N -1 1 358.402 0.325 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)n1 ZINC001611154047 1289631684 /nfs/dbraw/zinc/63/16/84/1289631684.db2.gz BZHXLGURMAXWEX-VIFPVBQESA-N -1 1 351.329 0.774 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001616142770 1289768405 /nfs/dbraw/zinc/76/84/05/1289768405.db2.gz SSTVHSIOZJIQGU-STQMWFEESA-N -1 1 357.370 0.832 10 0 FCAEMM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616141712 1289768479 /nfs/dbraw/zinc/76/84/79/1289768479.db2.gz CYCHHYXOMWUJFC-QWHCGFSZSA-N -1 1 351.407 0.466 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001617136376 1289817406 /nfs/dbraw/zinc/81/74/06/1289817406.db2.gz DEYJJNWFVIHCRR-HNNXBMFYSA-N -1 1 367.431 0.140 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)c1nncs1 ZINC001617254912 1289827208 /nfs/dbraw/zinc/82/72/08/1289827208.db2.gz BEPSBTQAKVJSDY-UHFFFAOYSA-N -1 1 364.431 0.774 10 0 FCAEMM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCc1nn[n-]n1 ZINC001617811652 1289866504 /nfs/dbraw/zinc/86/65/04/1289866504.db2.gz HKLYXUBEOWQOKF-LLVKDONJSA-N -1 1 352.420 0.006 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@]3(C)CCNC3=O)c2)n1 ZINC001618521184 1289915426 /nfs/dbraw/zinc/91/54/26/1289915426.db2.gz JJSHFOXXLAJOOI-GOSISDBHSA-N -1 1 371.397 0.791 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C[C@@H](C)SC ZINC001702304033 1289996480 /nfs/dbraw/zinc/99/64/80/1289996480.db2.gz XFXPVJGOKQYEJM-NQBHXWOUSA-N -1 1 353.444 0.884 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1cn(-c2ccccc2)nn1 ZINC001622142492 1290098518 /nfs/dbraw/zinc/09/85/18/1290098518.db2.gz BRGSNMGIUJPYSP-UHFFFAOYSA-N -1 1 352.354 0.414 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC001623456338 1290221261 /nfs/dbraw/zinc/22/12/61/1290221261.db2.gz XAOVCONBTULWTH-UHFFFAOYSA-N -1 1 374.469 0.549 10 0 FCAEMM CC[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])NC(=O)OC(C)(C)C ZINC001624576229 1290281833 /nfs/dbraw/zinc/28/18/33/1290281833.db2.gz LEKHAHFJTWTFNQ-NSHDSACASA-N -1 1 366.418 0.937 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 ZINC001624931343 1290306647 /nfs/dbraw/zinc/30/66/47/1290306647.db2.gz QIXJLYYBCCWIBL-UHFFFAOYSA-N -1 1 361.398 0.322 10 0 FCAEMM CN(C)c1cnn(C2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)c1 ZINC001625103249 1290319585 /nfs/dbraw/zinc/31/95/85/1290319585.db2.gz QRHGTBACSJUCPN-UHFFFAOYSA-N -1 1 372.429 0.643 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3nncn3CC2)c1 ZINC001625730739 1290362439 /nfs/dbraw/zinc/36/24/39/1290362439.db2.gz XATYGPCVFDYJMG-SNVBAGLBSA-N -1 1 365.415 0.483 10 0 FCAEMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n[n-]1 ZINC001626416620 1290395848 /nfs/dbraw/zinc/39/58/48/1290395848.db2.gz IRLPSMHNDCJHOK-WSKFYRRCSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)[n-]1 ZINC001626416620 1290395858 /nfs/dbraw/zinc/39/58/58/1290395858.db2.gz IRLPSMHNDCJHOK-WSKFYRRCSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=CC(=O)N(C)C)n1 ZINC001626416620 1290395868 /nfs/dbraw/zinc/39/58/68/1290395868.db2.gz IRLPSMHNDCJHOK-WSKFYRRCSA-N -1 1 351.407 0.829 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)[n-]c1Cl ZINC001626429526 1290396669 /nfs/dbraw/zinc/39/66/69/1290396669.db2.gz CSZWNGOICFHQQS-SSDOTTSWSA-N -1 1 364.811 0.602 10 0 FCAEMM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001626578579 1290403947 /nfs/dbraw/zinc/40/39/47/1290403947.db2.gz MKKLBQREOWUEGT-DGCLKSJQSA-N -1 1 351.403 0.546 10 0 FCAEMM CCC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001739883922 1290420045 /nfs/dbraw/zinc/42/00/45/1290420045.db2.gz IFCFNHKZYPMTLD-FRRDWIJNSA-N -1 1 362.430 0.717 10 0 FCAEMM CNS(=O)(=O)NCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001627038888 1290433252 /nfs/dbraw/zinc/43/32/52/1290433252.db2.gz MCZHSPWCCCPOAU-UHFFFAOYSA-N -1 1 372.628 0.800 10 0 FCAEMM CC1=C(C)C(=O)N(CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)C1=O ZINC001627759605 1290484718 /nfs/dbraw/zinc/48/47/18/1290484718.db2.gz KOPIAEYJHUAGDT-UHFFFAOYSA-N -1 1 371.397 0.763 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC001627874518 1290491411 /nfs/dbraw/zinc/49/14/11/1290491411.db2.gz LJUQRKVERMXTRX-UHFFFAOYSA-N -1 1 361.427 0.605 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCn1cncn1 ZINC001740158510 1290500832 /nfs/dbraw/zinc/50/08/32/1290500832.db2.gz ZLQPHLBEBSSQMC-CHWSQXEVSA-N -1 1 358.402 0.293 10 0 FCAEMM CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1nn[n-]n1 ZINC001628170088 1290513430 /nfs/dbraw/zinc/51/34/30/1290513430.db2.gz PHIAIYYZQUUKSZ-ZDUSSCGKSA-N -1 1 361.402 0.907 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])Nc1nncn1Cc1ccccc1 ZINC001628415861 1290532099 /nfs/dbraw/zinc/53/20/99/1290532099.db2.gz NYTYQXRANURVED-UHFFFAOYSA-N -1 1 352.354 0.796 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC001628802930 1290556302 /nfs/dbraw/zinc/55/63/02/1290556302.db2.gz GYCKEOLSGITOKE-VIFPVBQESA-N -1 1 362.415 0.438 10 0 FCAEMM CSc1ncc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c(=O)[n-]1 ZINC001628986810 1290567688 /nfs/dbraw/zinc/56/76/88/1290567688.db2.gz OKLZYRNQXKTDFQ-JTQLQIEISA-N -1 1 354.457 0.945 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc3c2oc(=O)n3C)n[n-]1 ZINC001629028991 1290570291 /nfs/dbraw/zinc/57/02/91/1290570291.db2.gz GVUQUXLFTMXAPX-QMMMGPOBSA-N -1 1 359.342 0.917 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc3c2oc(=O)n3C)[n-]1 ZINC001629028991 1290570294 /nfs/dbraw/zinc/57/02/94/1290570294.db2.gz GVUQUXLFTMXAPX-QMMMGPOBSA-N -1 1 359.342 0.917 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc3c2oc(=O)n3C)n1 ZINC001629028991 1290570300 /nfs/dbraw/zinc/57/03/00/1290570300.db2.gz GVUQUXLFTMXAPX-QMMMGPOBSA-N -1 1 359.342 0.917 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cncc(N3CCCC3)n2)n[n-]1 ZINC001629029782 1290571370 /nfs/dbraw/zinc/57/13/70/1290571370.db2.gz PQPNPBQDTPELLT-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cncc(N3CCCC3)n2)[n-]1 ZINC001629029782 1290571379 /nfs/dbraw/zinc/57/13/79/1290571379.db2.gz PQPNPBQDTPELLT-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cncc(N3CCCC3)n2)n1 ZINC001629029782 1290571390 /nfs/dbraw/zinc/57/13/90/1290571390.db2.gz PQPNPBQDTPELLT-JTQLQIEISA-N -1 1 359.390 0.863 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001744202632 1290574153 /nfs/dbraw/zinc/57/41/53/1290574153.db2.gz NNLLDQBGAWYJIC-MGPQQGTHSA-N -1 1 369.425 0.949 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)o1 ZINC001629813127 1290626492 /nfs/dbraw/zinc/62/64/92/1290626492.db2.gz VNABZTJASPWPMP-CYBMUJFWSA-N -1 1 365.367 0.665 10 0 FCAEMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001630294770 1290656982 /nfs/dbraw/zinc/65/69/82/1290656982.db2.gz HFFJWRZAHIRELJ-VIFPVBQESA-N -1 1 355.354 0.976 10 0 FCAEMM CSc1ncc(C(=O)N2CCC(C(=O)NCCCO)CC2)c(=O)[n-]1 ZINC001630331272 1290659309 /nfs/dbraw/zinc/65/93/09/1290659309.db2.gz GJXQVAZCHJPLHG-UHFFFAOYSA-N -1 1 354.432 0.255 10 0 FCAEMM O=C(CCc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001757713820 1290804369 /nfs/dbraw/zinc/80/43/69/1290804369.db2.gz GSVAKXOGCMCGAZ-WOPDTQHZSA-N -1 1 356.386 0.400 10 0 FCAEMM O=C(CCc1nc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001757713820 1290804384 /nfs/dbraw/zinc/80/43/84/1290804384.db2.gz GSVAKXOGCMCGAZ-WOPDTQHZSA-N -1 1 356.386 0.400 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(CN2CCOCC2)o1 ZINC001643244992 1290865367 /nfs/dbraw/zinc/86/53/67/1290865367.db2.gz YBYTXDAVUWUORR-UHFFFAOYSA-N -1 1 374.397 0.610 10 0 FCAEMM O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643241764 1290867006 /nfs/dbraw/zinc/86/70/06/1290867006.db2.gz PRUZCHAOAMOANY-LLVKDONJSA-N -1 1 354.366 0.997 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1c[nH]nc1I ZINC001643875308 1290922180 /nfs/dbraw/zinc/92/21/80/1290922180.db2.gz YSXDIUQNEDHKRD-UHFFFAOYSA-N -1 1 359.131 0.337 10 0 FCAEMM CCCC(=O)N1CCC[C@@H](C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001644156636 1290944102 /nfs/dbraw/zinc/94/41/02/1290944102.db2.gz KPUPAUZXRMUZLY-GFCCVEGCSA-N -1 1 362.430 0.910 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644156157 1290944602 /nfs/dbraw/zinc/94/46/02/1290944602.db2.gz FOCPGRDYLTWNPY-UHFFFAOYSA-N -1 1 366.377 0.998 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C(=O)OC)CCC[C@@H]23)o1 ZINC001644199120 1290946372 /nfs/dbraw/zinc/94/63/72/1290946372.db2.gz WRUDDUFJMRNHSX-ABAIWWIYSA-N -1 1 356.400 0.746 10 0 FCAEMM O=C(CN1c2ccccc2OC(F)(F)C1=O)NC1(c2nn[n-]n2)CCC1 ZINC001644748804 1290981470 /nfs/dbraw/zinc/98/14/70/1290981470.db2.gz ZFXUJNCBEMEGBT-UHFFFAOYSA-N -1 1 364.312 0.714 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001644861796 1290990386 /nfs/dbraw/zinc/99/03/86/1290990386.db2.gz IKTFJNDVVDELPK-VIFPVBQESA-N -1 1 351.750 0.676 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(n2cnnn2)CCCCC1 ZINC001647948046 1291088153 /nfs/dbraw/zinc/08/81/53/1291088153.db2.gz SXWYIXHYWIFVNV-ZDUSSCGKSA-N -1 1 353.390 0.751 10 0 FCAEMM C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1nn(C)cc1[O-] ZINC001648325080 1291118939 /nfs/dbraw/zinc/11/89/39/1291118939.db2.gz FVBZSSTWSRSIQI-CQSZACIVSA-N -1 1 358.446 0.910 10 0 FCAEMM COCCCS(=O)(=O)NCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001648550879 1291129304 /nfs/dbraw/zinc/12/93/04/1291129304.db2.gz OSTRCDNZFOFFHH-GFCCVEGCSA-N -1 1 374.463 0.284 10 0 FCAEMM C[S@@](=O)c1ccc(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001650748979 1291178092 /nfs/dbraw/zinc/17/80/92/1291178092.db2.gz PLPOFROSOIUBCY-RUZDIDTESA-N -1 1 361.423 0.851 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001651180915 1291201974 /nfs/dbraw/zinc/20/19/74/1291201974.db2.gz ROALOGRQVCGCJU-UHFFFAOYSA-N -1 1 371.445 0.952 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001651182928 1291202181 /nfs/dbraw/zinc/20/21/81/1291202181.db2.gz YBWHZGBVSXGFQD-YPMHNXCESA-N -1 1 368.438 0.867 10 0 FCAEMM Cc1n[nH]c(C(=O)NC2(c3nn[n-]n3)CCC2)c1I ZINC001651218759 1291208231 /nfs/dbraw/zinc/20/82/31/1291208231.db2.gz VIVZNZDIERFUAE-UHFFFAOYSA-N -1 1 373.158 0.645 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001651450431 1291222669 /nfs/dbraw/zinc/22/26/69/1291222669.db2.gz FMFDFIMRGQBDSI-SECBINFHSA-N -1 1 360.461 0.224 10 0 FCAEMM NC(=O)C1CC2(C1)C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)CCS2(=O)=O ZINC001651487434 1291224938 /nfs/dbraw/zinc/22/49/38/1291224938.db2.gz NNJLXGMIBPLTKG-DMWDQNTBSA-N -1 1 360.823 0.459 10 0 FCAEMM C[C@]1([C@@H]2CCCN(C(=O)CNC(=O)c3ncccc3[O-])C2)COC(=O)N1 ZINC001652121819 1291262682 /nfs/dbraw/zinc/26/26/82/1291262682.db2.gz KIFQQRRFMCZONF-PIGZYNQJSA-N -1 1 362.386 0.254 10 0 FCAEMM COC(=O)N1CCC(C(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)CC1 ZINC001652618429 1291287053 /nfs/dbraw/zinc/28/70/53/1291287053.db2.gz ZNZKDOCGQIVCFP-UHFFFAOYSA-N -1 1 352.391 0.676 10 0 FCAEMM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001653050247 1291318842 /nfs/dbraw/zinc/31/88/42/1291318842.db2.gz OHMCEVHFNNTJNG-NSHDSACASA-N -1 1 367.379 0.600 10 0 FCAEMM COc1cccc([C@@H](O)CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001675456774 1292177205 /nfs/dbraw/zinc/17/72/05/1292177205.db2.gz PTWOJARMNSUOCW-HNNXBMFYSA-N -1 1 374.397 0.796 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1Cc2ccccc2NC1=O ZINC001675456328 1292177484 /nfs/dbraw/zinc/17/74/84/1292177484.db2.gz DPZJVFQIARZVTE-AWEZNQCLSA-N -1 1 369.381 0.618 10 0 FCAEMM COC[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C[C@H](C)O1 ZINC001675456655 1292177602 /nfs/dbraw/zinc/17/76/02/1292177602.db2.gz MWLPGVQEZPNOBB-QWRGUYRKSA-N -1 1 352.391 0.200 10 0 FCAEMM O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(I)ccc1[O-] ZINC000161593407 836019908 /nfs/dbraw/zinc/01/99/08/836019908.db2.gz YUEQGGBPONFGOB-MRVPVSSYSA-N -1 1 374.134 0.532 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c(Br)n1C ZINC000396627185 836064282 /nfs/dbraw/zinc/06/42/82/836064282.db2.gz CKGBWCVLMGWPAV-MRVPVSSYSA-N -1 1 365.253 0.438 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)CCOC1 ZINC001119645423 847920950 /nfs/dbraw/zinc/92/09/50/847920950.db2.gz RIZZMKRNTRPHFX-ZDUSSCGKSA-N -1 1 362.308 0.430 10 0 FCAEMM CSc1ncc(C(=O)N2CCC(N3CCCNC3=O)CC2)c(=O)[n-]1 ZINC001137690462 849278014 /nfs/dbraw/zinc/27/80/14/849278014.db2.gz WWZFCIYCRBNBSF-UHFFFAOYSA-N -1 1 351.432 0.924 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ncc(Br)cn2)c1 ZINC001137774817 849284263 /nfs/dbraw/zinc/28/42/63/849284263.db2.gz LHKURHISEPTYAN-UHFFFAOYSA-N -1 1 373.188 0.844 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)O1 ZINC001138438529 849311086 /nfs/dbraw/zinc/31/10/86/849311086.db2.gz WCJQMEVLYFYHJI-GARJFASQSA-N -1 1 355.420 0.317 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCCn2cccnc2=O)c(=O)[n-]1 ZINC001140122792 849354920 /nfs/dbraw/zinc/35/49/20/849354920.db2.gz SMVBHGPUPJIWLS-UHFFFAOYSA-N -1 1 363.443 0.908 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC001141260408 849387565 /nfs/dbraw/zinc/38/75/65/849387565.db2.gz PEIWPGUWRNGYMQ-UHFFFAOYSA-N -1 1 354.413 0.820 10 0 FCAEMM CSc1nc(CNC(=O)c2cc(S(C)(=O)=O)ccc2N)cc(=O)[n-]1 ZINC001143620218 849496328 /nfs/dbraw/zinc/49/63/28/849496328.db2.gz OIGADZJYNMHZOK-UHFFFAOYSA-N -1 1 368.440 0.820 10 0 FCAEMM CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H]1C(C)(C)C ZINC001144036149 849507678 /nfs/dbraw/zinc/50/76/78/849507678.db2.gz XIBJYPHFIFWKTP-CQSZACIVSA-N -1 1 355.460 0.842 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146750864 849565271 /nfs/dbraw/zinc/56/52/71/849565271.db2.gz YGIVIHULNZMACE-CMPLNLGQSA-N -1 1 354.359 0.621 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)n[n-]1 ZINC001146865403 849568143 /nfs/dbraw/zinc/56/81/43/849568143.db2.gz JUTFUAKTZBTXME-QMMMGPOBSA-N -1 1 358.420 0.514 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)[n-]1 ZINC001146865403 849568160 /nfs/dbraw/zinc/56/81/60/849568160.db2.gz JUTFUAKTZBTXME-QMMMGPOBSA-N -1 1 358.420 0.514 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C(C)(C)S(=O)(=O)C2CC2)n1 ZINC001146865403 849568164 /nfs/dbraw/zinc/56/81/64/849568164.db2.gz JUTFUAKTZBTXME-QMMMGPOBSA-N -1 1 358.420 0.514 10 0 FCAEMM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001163585508 850375081 /nfs/dbraw/zinc/37/50/81/850375081.db2.gz LKJHXSPOUUHTLT-GWCFXTLKSA-N -1 1 353.350 0.267 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001164330795 850408023 /nfs/dbraw/zinc/40/80/23/850408023.db2.gz RVNZHNRRBOICBW-QMMMGPOBSA-N -1 1 358.383 0.849 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568590 850854042 /nfs/dbraw/zinc/85/40/42/850854042.db2.gz YZQWXYXZQUWXSY-UWVGGRQHSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568590 850854051 /nfs/dbraw/zinc/85/40/51/850854051.db2.gz YZQWXYXZQUWXSY-UWVGGRQHSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001177568590 850854058 /nfs/dbraw/zinc/85/40/58/850854058.db2.gz YZQWXYXZQUWXSY-UWVGGRQHSA-N -1 1 356.404 0.080 10 0 FCAEMM O=C(CCCS(=O)(=O)N1CCCC1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001177865432 850874893 /nfs/dbraw/zinc/87/48/93/850874893.db2.gz AUYCCZDFCOICJJ-CYBMUJFWSA-N -1 1 370.479 0.187 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC001178126095 850887433 /nfs/dbraw/zinc/88/74/33/850887433.db2.gz NOYPXMHDVDYGLE-GLEZIHRCSA-N -1 1 352.347 0.247 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C[C@H]2C=CS(=O)(=O)C2)[n-]c1=O ZINC001180058657 851011524 /nfs/dbraw/zinc/01/15/24/851011524.db2.gz AOJPMKBDFWISCD-MNOVXSKESA-N -1 1 353.400 0.803 10 0 FCAEMM C[C@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC[S@@](=O)C1 ZINC001254497055 857974944 /nfs/dbraw/zinc/97/49/44/857974944.db2.gz PQLBCKNFGROKQV-CCGUKBGLSA-N -1 1 354.432 0.165 10 0 FCAEMM CCn1ncc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1Br ZINC001274693899 860800363 /nfs/dbraw/zinc/80/03/63/860800363.db2.gz WLGHYJRFYQPJNB-UHFFFAOYSA-N -1 1 366.179 0.957 10 0 FCAEMM CCS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282127430 864071597 /nfs/dbraw/zinc/07/15/97/864071597.db2.gz UJAPPMZHFHARNA-NWDGAFQWSA-N -1 1 369.443 0.237 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CSC ZINC001282179016 864102418 /nfs/dbraw/zinc/10/24/18/864102418.db2.gz NYMSCFGRXWXGIN-DGCLKSJQSA-N -1 1 353.444 0.744 10 0 FCAEMM COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1nn[n-]n1 ZINC001290470283 865425725 /nfs/dbraw/zinc/42/57/25/865425725.db2.gz YRBLCYTUFXCUMZ-UHFFFAOYSA-N -1 1 366.403 0.220 10 0 FCAEMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cnn3c2CCCC3)c1 ZINC001295508018 865901880 /nfs/dbraw/zinc/90/18/80/865901880.db2.gz CAYZLFWREWOGFP-UHFFFAOYSA-N -1 1 350.400 0.754 10 0 FCAEMM O=C(CCc1nn[n-]n1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001295703066 865915608 /nfs/dbraw/zinc/91/56/08/865915608.db2.gz VCONAQUJYVGCAC-LLVKDONJSA-N -1 1 352.757 0.847 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)co1 ZINC001296365758 865963481 /nfs/dbraw/zinc/96/34/81/865963481.db2.gz BOALLDANOPJVSH-CYBMUJFWSA-N -1 1 365.411 0.275 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC001298656819 866124822 /nfs/dbraw/zinc/12/48/22/866124822.db2.gz NLNOQCBIBTZGQQ-UHFFFAOYSA-N -1 1 364.749 0.565 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn(C)nc2COC)c1 ZINC001298863646 866136352 /nfs/dbraw/zinc/13/63/52/866136352.db2.gz AUMDVYKRBYBOPF-UHFFFAOYSA-N -1 1 354.388 0.433 10 0 FCAEMM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@@H](Cc3nn[n-]n3)C1)CS2 ZINC001349214211 866266281 /nfs/dbraw/zinc/26/62/81/866266281.db2.gz RLLFZSBWEOZIMS-RWSFTLGLSA-N -1 1 350.448 0.435 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=CC23CCCCC3)o1 ZINC001301577044 866271440 /nfs/dbraw/zinc/27/14/40/866271440.db2.gz QFZUDRMFBBBDPP-UHFFFAOYSA-N -1 1 367.427 0.758 10 0 FCAEMM CN1C(=O)CN=C1NC(=O)c1cc(I)ccc1[O-] ZINC001301593674 866272665 /nfs/dbraw/zinc/27/26/65/866272665.db2.gz QQOJTUZCUXWRCR-UHFFFAOYSA-N -1 1 359.123 0.555 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)co1 ZINC001302559694 866339900 /nfs/dbraw/zinc/33/99/00/866339900.db2.gz PEZAZIWIONBPGO-NSHDSACASA-N -1 1 364.379 0.952 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)co1 ZINC001302559692 866340574 /nfs/dbraw/zinc/34/05/74/866340574.db2.gz PEZAZIWIONBPGO-LLVKDONJSA-N -1 1 364.379 0.952 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001354160521 867557184 /nfs/dbraw/zinc/55/71/84/867557184.db2.gz NTFLAJVJXPQGEB-LBPRGKRZSA-N -1 1 370.258 0.360 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccc(N3CCOC3=O)cc2)n[n-]1 ZINC001321368301 868447516 /nfs/dbraw/zinc/44/75/16/868447516.db2.gz CPSVHGWUJRNGGT-UHFFFAOYSA-N -1 1 351.344 0.417 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC001321368301 868447523 /nfs/dbraw/zinc/44/75/23/868447523.db2.gz CPSVHGWUJRNGGT-UHFFFAOYSA-N -1 1 351.344 0.417 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@]1(F)CCOC1 ZINC001323017395 869026155 /nfs/dbraw/zinc/02/61/55/869026155.db2.gz ALWUPQBCZUMXEN-HNNXBMFYSA-N -1 1 374.390 0.480 10 0 FCAEMM NS(=O)(=O)c1cc(Cl)cc(CN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)c1 ZINC001326577878 870391199 /nfs/dbraw/zinc/39/11/99/870391199.db2.gz PZAVJLAHLKDVPF-NHYWBVRUSA-N -1 1 374.846 0.911 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nnc(SC)s1)[C@@H]1CCOC1 ZINC001327082041 870658124 /nfs/dbraw/zinc/65/81/24/870658124.db2.gz ZTSKBYYMEXMCDG-BDAKNGLRSA-N -1 1 353.491 0.731 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cn3cnnc3)CC2)co1 ZINC001327429665 870865709 /nfs/dbraw/zinc/86/57/09/870865709.db2.gz XSWPBFHXTAKLFY-UHFFFAOYSA-N -1 1 353.404 0.332 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001328807511 871636890 /nfs/dbraw/zinc/63/68/90/871636890.db2.gz VYEYMGQBTKWRLM-UTLUCORTSA-N -1 1 365.312 0.084 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001328807507 871637557 /nfs/dbraw/zinc/63/75/57/871637557.db2.gz VYEYMGQBTKWRLM-KXUCPTDWSA-N -1 1 365.312 0.084 10 0 FCAEMM CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC001329492119 872064767 /nfs/dbraw/zinc/06/47/67/872064767.db2.gz LSVIUIUNXPPQBL-RBZYPMLTSA-N -1 1 365.352 0.197 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCN(CC(F)F)CC1 ZINC001329580469 872119171 /nfs/dbraw/zinc/11/91/71/872119171.db2.gz ADCXQLXJYUELPA-UHFFFAOYSA-N -1 1 357.361 0.347 10 0 FCAEMM CCc1nnc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])o1 ZINC001347145994 872183318 /nfs/dbraw/zinc/18/33/18/872183318.db2.gz UBODVCNZCHCARS-GMSGAONNSA-N -1 1 350.297 0.728 10 0 FCAEMM O=C(Cn1cc(Br)cn1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001347673591 872447802 /nfs/dbraw/zinc/44/78/02/872447802.db2.gz ZTNUBVOUXXAEOG-SECBINFHSA-N -1 1 354.212 0.640 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCC2(CS(C)(=O)=O)CC2)o1 ZINC001331230734 873021384 /nfs/dbraw/zinc/02/13/84/873021384.db2.gz UXVHSWOYWCGEOX-UHFFFAOYSA-N -1 1 364.445 0.132 10 0 FCAEMM CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000294280943 214236146 /nfs/dbraw/zinc/23/61/46/214236146.db2.gz GODREPWVUROMAV-NEPJUHHUSA-N -1 1 367.475 0.896 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)o1 ZINC000408126867 530027529 /nfs/dbraw/zinc/02/75/29/530027529.db2.gz BNIREMJKAIZMFL-LBPRGKRZSA-N -1 1 369.443 0.662 10 0 FCAEMM O=C(Cn1ccc([N-]S(=O)(=O)N2CCCCCC2)n1)N1CCOCC1 ZINC000265321936 210095295 /nfs/dbraw/zinc/09/52/95/210095295.db2.gz WCJNYPPOYAJZSD-UHFFFAOYSA-N -1 1 371.463 0.275 10 0 FCAEMM C[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)c1ccn(C)n1 ZINC000930832785 674065706 /nfs/dbraw/zinc/06/57/06/674065706.db2.gz COQCLSIRNSCBSU-SECBINFHSA-N -1 1 352.341 0.940 10 0 FCAEMM CN1CC[C@@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000285091589 213281550 /nfs/dbraw/zinc/28/15/50/213281550.db2.gz SQIVCTGEGZGDRE-GJZGRUSLSA-N -1 1 353.444 0.603 10 0 FCAEMM CN1CC[C@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000285091598 213280992 /nfs/dbraw/zinc/28/09/92/213280992.db2.gz SQIVCTGEGZGDRE-LSDHHAIUSA-N -1 1 353.444 0.603 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284583291 213173988 /nfs/dbraw/zinc/17/39/88/213173988.db2.gz RVQOHDBJTJPDTB-GJZGRUSLSA-N -1 1 359.430 0.113 10 0 FCAEMM C[C@@]1(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)Cc2ccccc2C(=O)O1 ZINC000282976893 212891094 /nfs/dbraw/zinc/89/10/94/212891094.db2.gz SRBQRKCLMWYIHZ-XIKOKIGWSA-N -1 1 356.382 0.976 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)o1 ZINC000366809852 216036327 /nfs/dbraw/zinc/03/63/27/216036327.db2.gz UWIJJNOBAHGPTM-QJPTWQEYSA-N -1 1 358.416 0.596 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)o1 ZINC000366809851 216036630 /nfs/dbraw/zinc/03/66/30/216036630.db2.gz UWIJJNOBAHGPTM-IJLUTSLNSA-N -1 1 358.416 0.596 10 0 FCAEMM NC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC000367387827 216115901 /nfs/dbraw/zinc/11/59/01/216115901.db2.gz ITTGPUMADPUORF-UHFFFAOYSA-N -1 1 369.312 0.620 10 0 FCAEMM O=C(c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1CCNCC1 ZINC000237884445 209359995 /nfs/dbraw/zinc/35/99/95/209359995.db2.gz ZOSCRYBHYKUAHH-UHFFFAOYSA-N -1 1 352.441 0.989 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)co1 ZINC000369030869 216333986 /nfs/dbraw/zinc/33/39/86/216333986.db2.gz ZIVWMHKGLAJPGU-NDMJEZRESA-N -1 1 356.400 0.601 10 0 FCAEMM CNS(=O)(=O)C1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000369229154 216367572 /nfs/dbraw/zinc/36/75/72/216367572.db2.gz DMZSPRBHHIDRGP-UHFFFAOYSA-N -1 1 364.427 0.798 10 0 FCAEMM CNS(=O)(=O)C1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000369229154 216367574 /nfs/dbraw/zinc/36/75/74/216367574.db2.gz DMZSPRBHHIDRGP-UHFFFAOYSA-N -1 1 364.427 0.798 10 0 FCAEMM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000277014616 212319342 /nfs/dbraw/zinc/31/93/42/212319342.db2.gz ISQBSZWKGROAEM-QMMMGPOBSA-N -1 1 357.215 0.979 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cs1 ZINC000275391554 212017805 /nfs/dbraw/zinc/01/78/05/212017805.db2.gz YGBSEGQZDYSESQ-UHFFFAOYSA-N -1 1 362.429 0.316 10 0 FCAEMM COC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1C ZINC000275283354 212000220 /nfs/dbraw/zinc/00/02/20/212000220.db2.gz LJJBTZJMSBSRCG-UHFFFAOYSA-N -1 1 370.427 0.563 10 0 FCAEMM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)[nH]c1-c1ccccc1 ZINC000275320267 212006853 /nfs/dbraw/zinc/00/68/53/212006853.db2.gz XNHKZYRJMOTEGO-NWDGAFQWSA-N -1 1 356.425 0.317 10 0 FCAEMM CC[C@@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@@]2(CCOC2)O1 ZINC000373692583 217046755 /nfs/dbraw/zinc/04/67/55/217046755.db2.gz CVIUBEHORYDERW-IUODEOHRSA-N -1 1 358.416 0.598 10 0 FCAEMM Cc1nnc([C@@H]2CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCO2)[nH]1 ZINC000183662813 209149521 /nfs/dbraw/zinc/14/95/21/209149521.db2.gz WSXXOSFSFICCCD-UWVGGRQHSA-N -1 1 363.340 0.716 10 0 FCAEMM O=C(N[C@@H](CO)CN1CCOCC1)c1ccc(Br)c([O-])c1 ZINC000425293780 247316825 /nfs/dbraw/zinc/31/68/25/247316825.db2.gz LNXPNSCTXHSJFH-LLVKDONJSA-N -1 1 359.220 0.578 10 0 FCAEMM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000469908687 250012202 /nfs/dbraw/zinc/01/22/02/250012202.db2.gz QSMNVEWGIXHSQX-RYUDHWBXSA-N -1 1 371.459 0.989 10 0 FCAEMM COC(=O)c1ccccc1CS(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000270280347 211180515 /nfs/dbraw/zinc/18/05/15/211180515.db2.gz UFEPVCBTUQMFBN-HNNXBMFYSA-N -1 1 373.452 0.941 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000470987186 250085299 /nfs/dbraw/zinc/08/52/99/250085299.db2.gz SODYBTGRFXVPQB-SECBINFHSA-N -1 1 368.444 0.220 10 0 FCAEMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000473378100 250224536 /nfs/dbraw/zinc/22/45/36/250224536.db2.gz VKXRMCPWHQMFMR-SECBINFHSA-N -1 1 353.379 0.554 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)cc1 ZINC000481606635 250346251 /nfs/dbraw/zinc/34/62/51/250346251.db2.gz AFIMOGMWGHCZNS-UHFFFAOYSA-N -1 1 372.410 0.951 10 0 FCAEMM CNS(=O)(=O)c1csc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000482313622 250386559 /nfs/dbraw/zinc/38/65/59/250386559.db2.gz SNIANGVKCKWWLG-UHFFFAOYSA-N -1 1 356.433 0.369 10 0 FCAEMM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000116982151 208340393 /nfs/dbraw/zinc/34/03/93/208340393.db2.gz FHLDFKPWADUCFI-VIFPVBQESA-N -1 1 363.233 0.918 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)o1 ZINC000171335570 208882559 /nfs/dbraw/zinc/88/25/59/208882559.db2.gz LNZZNRKWKGSOQK-NSHDSACASA-N -1 1 368.415 0.974 10 0 FCAEMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)C2 ZINC000180600887 209097424 /nfs/dbraw/zinc/09/74/24/209097424.db2.gz OODCCBBHJQDFJU-XHDPSFHLSA-N -1 1 363.439 0.604 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000409790247 533405323 /nfs/dbraw/zinc/40/53/23/533405323.db2.gz ICGHBBNFBJSGBD-JOYOIKCWSA-N -1 1 368.427 0.961 10 0 FCAEMM CC1=C(C(=O)[O-])N[C@@H]([C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)SC1 ZINC000103544439 222337559 /nfs/dbraw/zinc/33/75/59/222337559.db2.gz JJUQRQMFNIGCFS-SCDSUCTJSA-N -1 1 365.411 0.277 10 0 in-vitro FCAEMM CN1CCN(C(=O)CC[N-]S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000185475989 488400946 /nfs/dbraw/zinc/40/09/46/488400946.db2.gz MVGCINPZXGYIAP-UHFFFAOYSA-N -1 1 363.842 0.922 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000683081428 493332366 /nfs/dbraw/zinc/33/23/66/493332366.db2.gz GDQHJSFTWRSMDQ-GOEBONIOSA-N -1 1 353.386 0.839 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000554531184 491207812 /nfs/dbraw/zinc/20/78/12/491207812.db2.gz KZPVERGRRGQQOT-UHFFFAOYSA-N -1 1 356.444 0.755 10 0 FCAEMM CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000127789887 488619922 /nfs/dbraw/zinc/61/99/22/488619922.db2.gz KBBUOXBAVJFCOD-CYBMUJFWSA-N -1 1 371.441 0.596 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000273315563 488643388 /nfs/dbraw/zinc/64/33/88/488643388.db2.gz PTALTSNVRBANPH-OCCSQVGLSA-N -1 1 370.402 0.409 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000137570676 488681436 /nfs/dbraw/zinc/68/14/36/488681436.db2.gz YTUQENRLWCZZIR-TZMCWYRMSA-N -1 1 359.430 0.732 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)o1 ZINC000264667276 488696358 /nfs/dbraw/zinc/69/63/58/488696358.db2.gz ZQUNBPOLJUBYSU-NSHDSACASA-N -1 1 366.399 0.804 10 0 FCAEMM COc1cccc(OC)c1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)[O-] ZINC000275023294 488754226 /nfs/dbraw/zinc/75/42/26/488754226.db2.gz SCTVYXUKVFLNAP-LBPRGKRZSA-N -1 1 372.443 0.921 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155546057 488756157 /nfs/dbraw/zinc/75/61/57/488756157.db2.gz ZLTDBMLTZDPHBU-GXTWGEPZSA-N -1 1 357.418 0.755 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)o1 ZINC000156416285 488764846 /nfs/dbraw/zinc/76/48/46/488764846.db2.gz PELUWFLWGYWLAK-UHFFFAOYSA-N -1 1 366.321 0.870 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 ZINC000275208547 488772824 /nfs/dbraw/zinc/77/28/24/488772824.db2.gz CAZODLCMFUQMCM-UHFFFAOYSA-N -1 1 356.400 0.239 10 0 FCAEMM O=C([O-])C[N@H+]1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000275258796 488778076 /nfs/dbraw/zinc/77/80/76/488778076.db2.gz IORLDHKOWKLBQW-UHFFFAOYSA-N -1 1 352.334 0.885 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000275258796 488778078 /nfs/dbraw/zinc/77/80/78/488778078.db2.gz IORLDHKOWKLBQW-UHFFFAOYSA-N -1 1 352.334 0.885 10 0 FCAEMM CCN1CCN(c2ccccc2NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000267551417 488796816 /nfs/dbraw/zinc/79/68/16/488796816.db2.gz CKADJSXWECKQFO-UHFFFAOYSA-N -1 1 357.414 0.880 10 0 FCAEMM Cn1[n-]c(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1=O ZINC000329430143 489003927 /nfs/dbraw/zinc/00/39/27/489003927.db2.gz JZRULRWDIRFBEV-UHFFFAOYSA-N -1 1 352.416 0.862 10 0 FCAEMM COC(=O)c1ccccc1NC(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289492943 489071152 /nfs/dbraw/zinc/07/11/52/489071152.db2.gz SSGMJWBQNULNMV-NSHDSACASA-N -1 1 359.386 0.703 10 0 FCAEMM O=C(CNC(=O)c1ccccn1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281700145 489099070 /nfs/dbraw/zinc/09/90/70/489099070.db2.gz LYFBZERZIYPNNV-UHFFFAOYSA-N -1 1 372.347 0.729 10 0 FCAEMM CCN(CC)C(=O)C1CCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC000330437558 489101758 /nfs/dbraw/zinc/10/17/58/489101758.db2.gz BNURLHHIDFBSRY-UHFFFAOYSA-N -1 1 371.459 0.908 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000683081233 493332655 /nfs/dbraw/zinc/33/26/55/493332655.db2.gz ANRODUICDBZYHK-XHDPSFHLSA-N -1 1 357.349 0.919 10 0 FCAEMM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282968426 489202813 /nfs/dbraw/zinc/20/28/13/489202813.db2.gz RYMXXMGSFSWFLY-INIZCTEOSA-N -1 1 371.441 0.895 10 0 FCAEMM Cc1nccnc1N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000369723445 489268087 /nfs/dbraw/zinc/26/80/87/489268087.db2.gz WWBOSCJJHLUCGD-UHFFFAOYSA-N -1 1 350.382 0.984 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)o1 ZINC000283517176 489269179 /nfs/dbraw/zinc/26/91/79/489269179.db2.gz FNNPRDLTNKERPU-RISCZKNCSA-N -1 1 372.443 0.485 10 0 FCAEMM O=C(CNC(=O)c1ccc(F)c(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000555324845 491246326 /nfs/dbraw/zinc/24/63/26/491246326.db2.gz JVJPUUGOFJXPPQ-UHFFFAOYSA-N -1 1 350.329 0.793 10 0 FCAEMM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000349477005 489295161 /nfs/dbraw/zinc/29/51/61/489295161.db2.gz ICRBDZBMMOOEIF-GFCCVEGCSA-N -1 1 364.493 0.972 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)o1 ZINC000370025757 489305274 /nfs/dbraw/zinc/30/52/74/489305274.db2.gz KGWIECJETYXZTB-AXFHLTTASA-N -1 1 356.400 0.744 10 0 FCAEMM CC(C)OCCS(=O)(=O)[N-]Cc1nc(-c2ccc(=O)n(C)c2)no1 ZINC000350931765 489352206 /nfs/dbraw/zinc/35/22/06/489352206.db2.gz XMDANXJVRYFFGM-UHFFFAOYSA-N -1 1 356.404 0.280 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000363110600 489425311 /nfs/dbraw/zinc/42/53/11/489425311.db2.gz CDSDZAIIIQDJSX-GFCCVEGCSA-N -1 1 372.399 0.124 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451200666 489493235 /nfs/dbraw/zinc/49/32/35/489493235.db2.gz YUWMTPBTZJGUER-VIFPVBQESA-N -1 1 365.864 0.417 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000287365435 489480117 /nfs/dbraw/zinc/48/01/17/489480117.db2.gz YQLJPAPWTIAGMC-QMMMGPOBSA-N -1 1 364.305 0.798 10 0 FCAEMM O=c1[nH]c2cc(F)c(S(=O)(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2o1 ZINC000416485501 489599880 /nfs/dbraw/zinc/59/98/80/489599880.db2.gz BIAHXCXRSMDZFO-SNVBAGLBSA-N -1 1 373.406 0.385 10 0 FCAEMM O=c1[nH]c2cc(F)c(S(=O)(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2o1 ZINC000416485500 489600024 /nfs/dbraw/zinc/60/00/24/489600024.db2.gz BIAHXCXRSMDZFO-JTQLQIEISA-N -1 1 373.406 0.385 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1[N-]S(C)(=O)=O ZINC000427616712 489615399 /nfs/dbraw/zinc/61/53/99/489615399.db2.gz ZBUCQHJMHFCYSJ-YABSGUDNSA-N -1 1 367.427 0.920 10 0 FCAEMM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000428396170 489646318 /nfs/dbraw/zinc/64/63/18/489646318.db2.gz GNWSAWWEZKCVEF-UHFFFAOYSA-N -1 1 373.859 0.590 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NS(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000563790937 491269100 /nfs/dbraw/zinc/26/91/00/491269100.db2.gz OQWBHAXUDKAYQP-JTQLQIEISA-N -1 1 363.461 0.689 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)[n-]1 ZINC000474451419 489763118 /nfs/dbraw/zinc/76/31/18/489763118.db2.gz JYBQGMQPBRJVIU-UHFFFAOYSA-N -1 1 368.459 0.810 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)n[n-]1 ZINC000474451419 489763121 /nfs/dbraw/zinc/76/31/21/489763121.db2.gz JYBQGMQPBRJVIU-UHFFFAOYSA-N -1 1 368.459 0.810 10 0 FCAEMM C[C@@H](NC(=O)CNC(=O)CN(C)CCCC(=O)[O-])c1ccc(F)cc1 ZINC000430669690 489763385 /nfs/dbraw/zinc/76/33/85/489763385.db2.gz RUMYCUPUDMYJQE-GFCCVEGCSA-N -1 1 353.394 0.916 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCNS(=O)(=O)NC(C)C)cnc2n1 ZINC000430694001 489765094 /nfs/dbraw/zinc/76/50/94/489765094.db2.gz CFGXFQMCTPWHIP-UHFFFAOYSA-N -1 1 367.431 0.206 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCNS(=O)(=O)NC(C)C)c2=O ZINC000430694001 489765096 /nfs/dbraw/zinc/76/50/96/489765096.db2.gz CFGXFQMCTPWHIP-UHFFFAOYSA-N -1 1 367.431 0.206 10 0 FCAEMM C[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432310351 489837035 /nfs/dbraw/zinc/83/70/35/489837035.db2.gz AMLGHUOLCNHEDU-JOYOIKCWSA-N -1 1 366.436 0.901 10 0 FCAEMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)n1ccc2ccccc2c1=O ZINC000493343126 489844777 /nfs/dbraw/zinc/84/47/77/489844777.db2.gz CZEPBCWMJLHYLQ-VIFPVBQESA-N -1 1 361.383 0.723 10 0 FCAEMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)n1ccc2ccccc2c1=O ZINC000493343126 489844781 /nfs/dbraw/zinc/84/47/81/489844781.db2.gz CZEPBCWMJLHYLQ-VIFPVBQESA-N -1 1 361.383 0.723 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(CCO)CCOC2)o1 ZINC000475827864 489852784 /nfs/dbraw/zinc/85/27/84/489852784.db2.gz JZXKXHMCILEOAF-INIZCTEOSA-N -1 1 374.459 0.875 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2CN(CC(F)(F)F)C2)c1 ZINC000461460114 489911635 /nfs/dbraw/zinc/91/16/35/489911635.db2.gz JOKYSXYYRFOCCU-UHFFFAOYSA-N -1 1 367.349 0.733 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cnn(C)c2)c1 ZINC000461464820 489912862 /nfs/dbraw/zinc/91/28/62/489912862.db2.gz NJTXOAKQXFDARW-UHFFFAOYSA-N -1 1 352.416 0.950 10 0 FCAEMM Cc1cnc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000494842359 489916492 /nfs/dbraw/zinc/91/64/92/489916492.db2.gz NXXYQXPWKOTSDI-UHFFFAOYSA-N -1 1 369.425 0.959 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCC3(CC3)CC2)o1 ZINC000434283567 489920243 /nfs/dbraw/zinc/92/02/43/489920243.db2.gz QPCNQVXDBCQYBE-UHFFFAOYSA-N -1 1 355.416 0.496 10 0 FCAEMM COc1ccc(C(=O)N[C@@H](C(=O)NC2(c3nn[n-]n3)CC2)C(C)C)cc1 ZINC000477028340 489932450 /nfs/dbraw/zinc/93/24/50/489932450.db2.gz XSODLXFHJJTHCL-CYBMUJFWSA-N -1 1 358.402 0.768 10 0 FCAEMM O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NC1(c2nn[n-]n2)CC1 ZINC000477044905 489934947 /nfs/dbraw/zinc/93/49/47/489934947.db2.gz QKBCYSLGTDOAMZ-UHFFFAOYSA-N -1 1 354.370 0.853 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000477044537 489935405 /nfs/dbraw/zinc/93/54/05/489935405.db2.gz PXPZCHILRHRKRJ-LLVKDONJSA-N -1 1 370.369 0.339 10 0 FCAEMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000477040402 489935453 /nfs/dbraw/zinc/93/54/53/489935453.db2.gz PMVHOVLLBNWNGR-UHFFFAOYSA-N -1 1 364.431 0.486 10 0 FCAEMM CCc1csc(-n2cc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cn2)n1 ZINC000477109166 489944119 /nfs/dbraw/zinc/94/41/19/489944119.db2.gz SIQQFNGYTSZNOB-UHFFFAOYSA-N -1 1 367.416 0.665 10 0 FCAEMM CCc1csc(-n2cc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cn2)n1 ZINC000477109166 489944123 /nfs/dbraw/zinc/94/41/23/489944123.db2.gz SIQQFNGYTSZNOB-UHFFFAOYSA-N -1 1 367.416 0.665 10 0 FCAEMM CCn1nccc1CN(CCO)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000477405907 489962847 /nfs/dbraw/zinc/96/28/47/489962847.db2.gz YSQUZQZDYQBAOS-UHFFFAOYSA-N -1 1 356.404 0.039 10 0 FCAEMM CCN([C@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462274649 489965006 /nfs/dbraw/zinc/96/50/06/489965006.db2.gz IHBGFJHYAPWDDG-NSHDSACASA-N -1 1 366.436 0.997 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)sc1C ZINC000435211985 489988239 /nfs/dbraw/zinc/98/82/39/489988239.db2.gz XCGBYZXZIOEGOO-UHFFFAOYSA-N -1 1 353.491 0.462 10 0 FCAEMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000435210138 489988334 /nfs/dbraw/zinc/98/83/34/489988334.db2.gz GWEDZGKNYJFOKE-UHFFFAOYSA-N -1 1 355.507 0.710 10 0 FCAEMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cn1C ZINC000463380958 490014238 /nfs/dbraw/zinc/01/42/38/490014238.db2.gz YGKOUWXDVUHUOB-UHFFFAOYSA-N -1 1 352.420 0.913 10 0 FCAEMM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000564212626 491294616 /nfs/dbraw/zinc/29/46/16/491294616.db2.gz ZIJCZAWLBLEBIW-ZDUSSCGKSA-N -1 1 364.445 0.467 10 0 FCAEMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)nn1-c1nc(C)cc(C)n1 ZINC000478581511 490026655 /nfs/dbraw/zinc/02/66/55/490026655.db2.gz FYTLDDAAEOFTPL-SECBINFHSA-N -1 1 355.406 0.976 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)N=NC3C2)o1 ZINC000438451321 490035951 /nfs/dbraw/zinc/03/59/51/490035951.db2.gz XZMSEHHWHIVPGI-UHFFFAOYSA-N -1 1 369.403 0.310 10 0 FCAEMM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1nc2ccccc2c(=O)[n-]1 ZINC000465065799 490079637 /nfs/dbraw/zinc/07/96/37/490079637.db2.gz LSWONCIFZBPGAA-XLFHBGCDSA-N -1 1 355.354 0.031 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(n4cc([C@H](C)O)nn4)C3)cnc2n1 ZINC000378571761 490097777 /nfs/dbraw/zinc/09/77/77/490097777.db2.gz NMJMKVZLSZKKQO-JTQLQIEISA-N -1 1 354.370 0.986 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CC(n4cc([C@H](C)O)nn4)C3)c[n-]c2n1 ZINC000378571761 490097783 /nfs/dbraw/zinc/09/77/83/490097783.db2.gz NMJMKVZLSZKKQO-JTQLQIEISA-N -1 1 354.370 0.986 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)sc1C ZINC000532931252 490141474 /nfs/dbraw/zinc/14/14/74/490141474.db2.gz HULJRBHVPXPYGY-WDEREUQCSA-N -1 1 367.518 0.756 10 0 FCAEMM C[C@@H](Cn1cncn1)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000520718897 490182612 /nfs/dbraw/zinc/18/26/12/490182612.db2.gz HRROZNXSXKSOPW-JTQLQIEISA-N -1 1 355.420 0.766 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC(=O)N1C ZINC000407971889 490190284 /nfs/dbraw/zinc/19/02/84/490190284.db2.gz RHGQKBOQSQNECU-SNVBAGLBSA-N -1 1 357.432 0.659 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)co1 ZINC000408051340 490228388 /nfs/dbraw/zinc/22/83/88/490228388.db2.gz JKGKNUXFSIZGPA-XQQFMLRXSA-N -1 1 358.416 0.190 10 0 FCAEMM Nc1ccn(C[C@@H](COCc2ccccc2)OC[P@](=O)([O-])O)c(=O)n1 ZINC000498050510 490251639 /nfs/dbraw/zinc/25/16/39/490251639.db2.gz JFHVUYSYDSJMIJ-ZDUSSCGKSA-N -1 1 369.314 0.805 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)o1 ZINC000556406746 491314276 /nfs/dbraw/zinc/31/42/76/491314276.db2.gz CRTKPEHIYHLHCF-PWSUYJOCSA-N -1 1 363.432 0.893 10 0 FCAEMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000508210995 490308190 /nfs/dbraw/zinc/30/81/90/490308190.db2.gz XKVLDECCJQALOK-UHFFFAOYSA-N -1 1 371.444 0.781 10 0 FCAEMM CNS(=O)(=O)NCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000450670688 490482402 /nfs/dbraw/zinc/48/24/02/490482402.db2.gz GCWAVVODDOFXQP-UHFFFAOYSA-N -1 1 352.210 0.455 10 0 FCAEMM Nc1nsc(N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n1 ZINC000485002560 490489433 /nfs/dbraw/zinc/48/94/33/490489433.db2.gz OUTGRFSBQQDSCE-UHFFFAOYSA-N -1 1 357.399 0.319 10 0 FCAEMM CC(=O)N1CCN(CCNC(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000510299018 490506278 /nfs/dbraw/zinc/50/62/78/490506278.db2.gz OTEGNCWLEHXCCF-UHFFFAOYSA-N -1 1 357.414 0.538 10 0 FCAEMM CC(=O)N1CCN(CCNC(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000510299018 490506283 /nfs/dbraw/zinc/50/62/83/490506283.db2.gz OTEGNCWLEHXCCF-UHFFFAOYSA-N -1 1 357.414 0.538 10 0 FCAEMM Cc1cc(=O)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nn1-c1ccccc1 ZINC000500576826 490537335 /nfs/dbraw/zinc/53/73/35/490537335.db2.gz MEJCBZXQTTYRIW-UHFFFAOYSA-N -1 1 374.382 0.315 10 0 FCAEMM Cc1cc(=O)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nn1-c1ccccc1 ZINC000500576826 490537341 /nfs/dbraw/zinc/53/73/41/490537341.db2.gz MEJCBZXQTTYRIW-UHFFFAOYSA-N -1 1 374.382 0.315 10 0 FCAEMM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)c1 ZINC000511139468 490565330 /nfs/dbraw/zinc/56/53/30/490565330.db2.gz BYPPQXOUVAHRRN-UHFFFAOYSA-N -1 1 363.395 0.308 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 ZINC000512603876 490689623 /nfs/dbraw/zinc/68/96/23/490689623.db2.gz ZSOGVGUXCAUHHG-SNVBAGLBSA-N -1 1 363.399 0.738 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[n-]1 ZINC000512603876 490689626 /nfs/dbraw/zinc/68/96/26/490689626.db2.gz ZSOGVGUXCAUHHG-SNVBAGLBSA-N -1 1 363.399 0.738 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCc2ccc3c(c2)OCCO3)n1 ZINC000512639016 490690935 /nfs/dbraw/zinc/69/09/35/490690935.db2.gz CGOFTZQSJCSQNE-UHFFFAOYSA-N -1 1 352.372 0.551 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)[n-]1 ZINC000512639016 490690936 /nfs/dbraw/zinc/69/09/36/490690936.db2.gz CGOFTZQSJCSQNE-UHFFFAOYSA-N -1 1 352.372 0.551 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000487332689 490705082 /nfs/dbraw/zinc/70/50/82/490705082.db2.gz DVPMUAWWHFMBLX-RKDXNWHRSA-N -1 1 364.370 0.699 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000487353308 490706986 /nfs/dbraw/zinc/70/69/86/490706986.db2.gz DKUWXNLXNVEFIV-RKDXNWHRSA-N -1 1 364.370 0.699 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000487401867 490711571 /nfs/dbraw/zinc/71/15/71/490711571.db2.gz SSFHWQLKOCXANF-BDAKNGLRSA-N -1 1 363.461 0.495 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000513479590 490733414 /nfs/dbraw/zinc/73/34/14/490733414.db2.gz OIUJHEFVAKBNJN-UHFFFAOYSA-N -1 1 354.288 0.770 10 0 FCAEMM Cn1cc(Oc2ccccc2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cn1 ZINC000572137798 491351152 /nfs/dbraw/zinc/35/11/52/491351152.db2.gz ZWUXWNQWIDYUEZ-UHFFFAOYSA-N -1 1 362.371 0.986 10 0 FCAEMM Cn1cc(Oc2ccccc2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cn1 ZINC000572137798 491351153 /nfs/dbraw/zinc/35/11/53/491351153.db2.gz ZWUXWNQWIDYUEZ-UHFFFAOYSA-N -1 1 362.371 0.986 10 0 FCAEMM CNC(=O)c1cccc(CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000503259392 490747907 /nfs/dbraw/zinc/74/79/07/490747907.db2.gz VRVGUXBHBOBVMV-UHFFFAOYSA-N -1 1 351.388 0.139 10 0 FCAEMM CNC(=O)c1cccc(CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000503259392 490747911 /nfs/dbraw/zinc/74/79/11/490747911.db2.gz VRVGUXBHBOBVMV-UHFFFAOYSA-N -1 1 351.388 0.139 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC/C=C\c2ccccc2)o1 ZINC000539789132 490796555 /nfs/dbraw/zinc/79/65/55/490796555.db2.gz RIHBWHMPAVQZPA-DAXSKMNVSA-N -1 1 363.395 0.486 10 0 FCAEMM C[C@@]1(c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)NC(=O)NC1=O ZINC000540423153 490821885 /nfs/dbraw/zinc/82/18/85/490821885.db2.gz DHJMTCYCRVZHCC-GTNSWQLSSA-N -1 1 369.385 0.274 10 0 FCAEMM C[C@]1(c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)NC(=O)NC1=O ZINC000540423155 490821905 /nfs/dbraw/zinc/82/19/05/490821905.db2.gz DHJMTCYCRVZHCC-PIGZYNQJSA-N -1 1 369.385 0.274 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)o1 ZINC000529623941 490863794 /nfs/dbraw/zinc/86/37/94/490863794.db2.gz NGVLMLQXXAFLFZ-SECBINFHSA-N -1 1 366.321 0.918 10 0 FCAEMM CCOC(=O)c1cnc(N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)s1 ZINC000541577373 490866614 /nfs/dbraw/zinc/86/66/14/490866614.db2.gz HSYDMHWVTURRMF-UHFFFAOYSA-N -1 1 352.420 0.064 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCO1 ZINC000529739071 490869582 /nfs/dbraw/zinc/86/95/82/490869582.db2.gz IVZZURFHEZXNSS-JTQLQIEISA-N -1 1 372.219 0.925 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)o1 ZINC000529766198 490875425 /nfs/dbraw/zinc/87/54/25/490875425.db2.gz LZGZWYSEVIXCFM-GHMZBOCLSA-N -1 1 360.432 0.626 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)co1 ZINC000530079267 490887863 /nfs/dbraw/zinc/88/78/63/490887863.db2.gz KAQLCAQGNGUNNI-NSHDSACASA-N -1 1 352.372 0.661 10 0 FCAEMM NS(=O)(=O)c1ccc(OCCN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530170530 490892025 /nfs/dbraw/zinc/89/20/25/490892025.db2.gz SZBNQRDLBKUVMN-OAHLLOKOSA-N -1 1 366.395 0.990 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)n1 ZINC000565200990 491360029 /nfs/dbraw/zinc/36/00/29/491360029.db2.gz STCVPTVIFJSFNX-UHFFFAOYSA-N -1 1 369.428 0.878 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(O)CCS(=O)(=O)C1)c1c(F)cccc1Cl ZINC000579860275 491707091 /nfs/dbraw/zinc/70/70/91/491707091.db2.gz BIPYSOQHEMPPRQ-NSHDSACASA-N -1 1 357.812 0.307 10 0 FCAEMM Cc1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)s1 ZINC000542800539 490909882 /nfs/dbraw/zinc/90/98/82/490909882.db2.gz MDNHCYGYPLSLNN-UHFFFAOYSA-N -1 1 359.454 0.655 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C[C@H]1C(=O)[O-] ZINC000565596674 491387715 /nfs/dbraw/zinc/38/77/15/491387715.db2.gz GMIKAODDIABHRQ-UKRRQHHQSA-N -1 1 351.447 0.642 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000558717872 491443270 /nfs/dbraw/zinc/44/32/70/491443270.db2.gz AXLGUDBZOQSYLU-CQSZACIVSA-N -1 1 358.398 0.801 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000558874322 491447806 /nfs/dbraw/zinc/44/78/06/491447806.db2.gz MODOFGHCIRRFBT-QGZVFWFLSA-N -1 1 364.423 0.961 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)c(C(F)(F)F)n1 ZINC000559095145 491454772 /nfs/dbraw/zinc/45/47/72/491454772.db2.gz DGRRWWDJAQGQEV-SNVBAGLBSA-N -1 1 364.349 0.888 10 0 FCAEMM CNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000574577560 491506217 /nfs/dbraw/zinc/50/62/17/491506217.db2.gz BXQZVLKEXQSNKF-UHFFFAOYSA-N -1 1 363.823 0.276 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCn2nnc(CO)c2C1 ZINC000560653529 491549489 /nfs/dbraw/zinc/54/94/89/491549489.db2.gz MRKLEEFPCJWPMM-UHFFFAOYSA-N -1 1 353.176 0.895 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000577220296 491603827 /nfs/dbraw/zinc/60/38/27/491603827.db2.gz LWBSDMXYAWYEAO-RTXFEEFZSA-N -1 1 363.418 0.388 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)sc1C ZINC000580057069 491715275 /nfs/dbraw/zinc/71/52/75/491715275.db2.gz UNESIAPGEGYHEF-LLVKDONJSA-N -1 1 367.518 0.852 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CN3c4ccccc4O[C@@H](C)C3=O)nc2n1 ZINC000588006204 491737236 /nfs/dbraw/zinc/73/72/36/491737236.db2.gz QKUCBKHPDZGVHH-JTQLQIEISA-N -1 1 368.353 0.479 10 0 FCAEMM COCCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000581468294 491774323 /nfs/dbraw/zinc/77/43/23/491774323.db2.gz QHLTVWHNWQZVTF-LLVKDONJSA-N -1 1 352.416 0.787 10 0 FCAEMM COCCCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000581468294 491774325 /nfs/dbraw/zinc/77/43/25/491774325.db2.gz QHLTVWHNWQZVTF-LLVKDONJSA-N -1 1 352.416 0.787 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccnn1C ZINC000592089850 491831241 /nfs/dbraw/zinc/83/12/41/491831241.db2.gz BGPLKRBFMSKOLW-AWEZNQCLSA-N -1 1 366.399 0.571 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(OC)c1)c1ccnn1C ZINC000592090526 491831493 /nfs/dbraw/zinc/83/14/93/491831493.db2.gz BCSORBWSVODSFM-ZDUSSCGKSA-N -1 1 357.363 0.760 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1ccnn1C ZINC000592090950 491831688 /nfs/dbraw/zinc/83/16/88/491831688.db2.gz FWPKVTYGTFNCQL-CQSZACIVSA-N -1 1 369.399 0.630 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)c1)c1ccnn1C ZINC000592090525 491831751 /nfs/dbraw/zinc/83/17/51/491831751.db2.gz BCSORBWSVODSFM-CYBMUJFWSA-N -1 1 357.363 0.760 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000582915363 491832238 /nfs/dbraw/zinc/83/22/38/491832238.db2.gz MVSOVSGFRYYPHG-QGZVFWFLSA-N -1 1 354.414 0.933 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCC1)c1ccnn1C ZINC000592099545 491832456 /nfs/dbraw/zinc/83/24/56/491832456.db2.gz ZFKAHMJZQRKYJZ-LBPRGKRZSA-N -1 1 373.431 0.287 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000594866930 491868528 /nfs/dbraw/zinc/86/85/28/491868528.db2.gz VPFMPMPPCXUYIF-GXTWGEPZSA-N -1 1 355.428 0.639 10 0 FCAEMM COC(=O)Cc1nnc([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)[nH]1 ZINC000600666994 491874451 /nfs/dbraw/zinc/87/44/51/491874451.db2.gz PCQXRAGFGVONIZ-NSHDSACASA-N -1 1 372.378 0.789 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000595341688 491921856 /nfs/dbraw/zinc/92/18/56/491921856.db2.gz JXHSSOHMANMCMK-NXEZZACHSA-N -1 1 365.429 0.619 10 0 FCAEMM C[C@H](CN(C)C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F)c1nn[n-]n1 ZINC000613476079 491982767 /nfs/dbraw/zinc/98/27/67/491982767.db2.gz TVJVBXSOQGUSNZ-UTLUCORTSA-N -1 1 351.329 0.746 10 0 FCAEMM CN1C[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)NC1=O ZINC000613553918 491986013 /nfs/dbraw/zinc/98/60/13/491986013.db2.gz ATKBACQKCRBXQA-ZJUUUORDSA-N -1 1 353.745 0.221 10 0 FCAEMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000614783564 492055801 /nfs/dbraw/zinc/05/58/01/492055801.db2.gz IDRVTMYGKODASO-UHFFFAOYSA-N -1 1 369.424 0.958 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000615053914 492070701 /nfs/dbraw/zinc/07/07/01/492070701.db2.gz LBASKLFGDSHZNJ-UHFFFAOYSA-N -1 1 354.392 0.294 10 0 FCAEMM CN(Cc1cnccn1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000605163702 492084706 /nfs/dbraw/zinc/08/47/06/492084706.db2.gz FHSJMVBNIJDZFG-UHFFFAOYSA-N -1 1 374.419 0.808 10 0 FCAEMM O=C(Cn1cc(Br)ccc1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605382018 492093449 /nfs/dbraw/zinc/09/34/49/492093449.db2.gz QWSMSHOZDQCCDO-UHFFFAOYSA-N -1 1 367.207 0.710 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncns3)CC2)o1 ZINC000615804373 492103584 /nfs/dbraw/zinc/10/35/84/492103584.db2.gz FJJVDDFLQNCWIS-UHFFFAOYSA-N -1 1 357.417 0.002 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)CN(C)C)on1 ZINC000599228071 492145561 /nfs/dbraw/zinc/14/55/61/492145561.db2.gz YHOHCQWVXADFNS-CYBMUJFWSA-N -1 1 367.427 0.912 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1F ZINC000599325625 492160235 /nfs/dbraw/zinc/16/02/35/492160235.db2.gz FTLBBCMHFVVUHC-UHFFFAOYSA-N -1 1 362.354 0.651 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1c(C)onc1N ZINC000599402983 492168442 /nfs/dbraw/zinc/16/84/42/492168442.db2.gz JJDGYNHCOBJANG-GFCCVEGCSA-N -1 1 369.399 0.636 10 0 FCAEMM NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367268 492174329 /nfs/dbraw/zinc/17/43/29/492174329.db2.gz NVBOUSXQXQLIMX-UHFFFAOYSA-N -1 1 353.331 0.756 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)co1 ZINC000617534927 492174528 /nfs/dbraw/zinc/17/45/28/492174528.db2.gz MODJJZAKHWTAEK-RAIGVLPGSA-N -1 1 360.432 0.484 10 0 FCAEMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000599456586 492175439 /nfs/dbraw/zinc/17/54/39/492175439.db2.gz NQDRYVLMBREAHR-NEPJUHHUSA-N -1 1 365.448 0.463 10 0 FCAEMM C[C@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C(=O)N1c1cnn(C)c1 ZINC000608490335 492177863 /nfs/dbraw/zinc/17/78/63/492177863.db2.gz XGHYMTPWOCAUJO-HZMBPMFUSA-N -1 1 366.381 0.580 10 0 FCAEMM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000617962000 492207219 /nfs/dbraw/zinc/20/72/19/492207219.db2.gz NIZAKXSNDVECIL-HDJSIYSDSA-N -1 1 364.446 0.944 10 0 FCAEMM C[C@@]1(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1(F)F ZINC000618628445 492232637 /nfs/dbraw/zinc/23/26/37/492232637.db2.gz OORZIMSSQJQZMZ-GFCCVEGCSA-N -1 1 365.358 0.208 10 0 FCAEMM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(S(C)(=O)=O)c(C)o2)n1 ZINC000600038401 492235473 /nfs/dbraw/zinc/23/54/73/492235473.db2.gz PRKKNWDVFQPTAL-UHFFFAOYSA-N -1 1 356.360 0.398 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)o1 ZINC000600427352 492269184 /nfs/dbraw/zinc/26/91/84/492269184.db2.gz ITLYETZHKLODHX-WDEREUQCSA-N -1 1 374.415 0.276 10 0 FCAEMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000620615912 492321380 /nfs/dbraw/zinc/32/13/80/492321380.db2.gz LKOQYDLCFPRRFE-UHFFFAOYSA-N -1 1 367.374 0.454 10 0 FCAEMM CC(C)(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000647591110 492329620 /nfs/dbraw/zinc/32/96/20/492329620.db2.gz NRNOPYLOPYLHHO-UONOGXRCSA-N -1 1 353.463 0.936 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)co1 ZINC000620778461 492335633 /nfs/dbraw/zinc/33/56/33/492335633.db2.gz NPDRXBCTPPFBIQ-SECBINFHSA-N -1 1 356.322 0.981 10 0 FCAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CCN(CCc2cnccn2)CC1 ZINC000634509620 492347585 /nfs/dbraw/zinc/34/75/85/492347585.db2.gz SZHUOTRXXYIFTM-UHFFFAOYSA-N -1 1 355.377 0.888 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCO[C@@H]([C@H](C)O)C3)c(=O)c2c(OC)c1 ZINC000627768026 492378555 /nfs/dbraw/zinc/37/85/55/492378555.db2.gz LCZDVRZAVQPLNI-ZUZCIYMTSA-N -1 1 362.382 0.767 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCCO2)o1 ZINC000627879483 492411819 /nfs/dbraw/zinc/41/18/19/492411819.db2.gz OZOWILWRMRDYLJ-UHFFFAOYSA-N -1 1 359.404 0.250 10 0 FCAEMM CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000655619372 492465804 /nfs/dbraw/zinc/46/58/04/492465804.db2.gz VGBDTHJYHJKFIY-GFCCVEGCSA-N -1 1 355.391 0.653 10 0 FCAEMM CCCC(=O)N1CSC[C@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622870627 492491788 /nfs/dbraw/zinc/49/17/88/492491788.db2.gz AUXVRTDPXDZIDP-VIFPVBQESA-N -1 1 350.404 0.366 10 0 FCAEMM O=C(NC1CC1)c1[nH]nnc1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000622883472 492492913 /nfs/dbraw/zinc/49/29/13/492492913.db2.gz ZMIJZAQVNAIRDU-UHFFFAOYSA-N -1 1 352.358 0.589 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3N(C)C(=O)C2)o1 ZINC000623272546 492535925 /nfs/dbraw/zinc/53/59/25/492535925.db2.gz YLNMZDDAUVVUSD-UHFFFAOYSA-N -1 1 363.395 0.807 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628779372 492545421 /nfs/dbraw/zinc/54/54/21/492545421.db2.gz XSAWWHKKXUGWED-JOCQHMNTSA-N -1 1 355.398 0.865 10 0 FCAEMM CN1CCOC[C@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000628922452 492565558 /nfs/dbraw/zinc/56/55/58/492565558.db2.gz NQXIRTQDLOIPEA-LLVKDONJSA-N -1 1 359.448 0.417 10 0 FCAEMM COC1(CS(=O)(=O)[N-]c2ccc(-c3nnnn3C)cc2)CCOCC1 ZINC000629321346 492609450 /nfs/dbraw/zinc/60/94/50/492609450.db2.gz QWGMBNQOGJHNQC-UHFFFAOYSA-N -1 1 367.431 0.814 10 0 FCAEMM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000629530245 492639096 /nfs/dbraw/zinc/63/90/96/492639096.db2.gz ALPZXIPZKUQBSL-UHFFFAOYSA-N -1 1 367.349 0.631 10 0 FCAEMM COC1CCN(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)CC1 ZINC000656627286 492639075 /nfs/dbraw/zinc/63/90/75/492639075.db2.gz XIHCHHJXQYPSST-UHFFFAOYSA-N -1 1 366.237 0.905 10 0 FCAEMM C[C@]1([N-]S(=O)(=O)c2ncccc2Br)CCS(=O)(=O)C1 ZINC000656863987 492653500 /nfs/dbraw/zinc/65/35/00/492653500.db2.gz WLEMDROPRHTDLP-JTQLQIEISA-N -1 1 369.262 0.700 10 0 FCAEMM C[C@@H](C[N-]S(=O)(=O)c1ncccc1Br)S(C)(=O)=O ZINC000656943306 492675619 /nfs/dbraw/zinc/67/56/19/492675619.db2.gz LZHUEMMDCOYTMK-ZETCQYMHSA-N -1 1 357.251 0.556 10 0 FCAEMM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000656976105 492685185 /nfs/dbraw/zinc/68/51/85/492685185.db2.gz NFGNJMUYORFTME-KWQFWETISA-N -1 1 351.222 0.662 10 0 FCAEMM CN1CCN(CCCS(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000630442946 492746801 /nfs/dbraw/zinc/74/68/01/492746801.db2.gz WFFSCFMAICGNHL-XHSDSOJGSA-N -1 1 373.519 0.671 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)[n-]1 ZINC000651529268 492775202 /nfs/dbraw/zinc/77/52/02/492775202.db2.gz FFFZLNIFZLGEDH-OAHLLOKOSA-N -1 1 358.446 0.509 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000630915105 492784918 /nfs/dbraw/zinc/78/49/18/492784918.db2.gz JHTZFPXZVLJDJS-UHFFFAOYSA-N -1 1 366.784 0.909 10 0 FCAEMM COc1ccc(Cn2[n-]nnc2=NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000631050728 492795331 /nfs/dbraw/zinc/79/53/31/492795331.db2.gz KUVXKZWNTASWRI-GOSISDBHSA-N -1 1 373.505 0.836 10 0 FCAEMM COc1ccc([O-])c(S(=O)(=O)N2CCN(Cc3nccn3C)CC2)c1 ZINC000631908185 492874523 /nfs/dbraw/zinc/87/45/23/492874523.db2.gz FXGSQELABNHTPO-UHFFFAOYSA-N -1 1 366.443 0.641 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CCC1 ZINC000632048247 492919736 /nfs/dbraw/zinc/91/97/36/492919736.db2.gz DUJXBGJMGHOMAP-DGCLKSJQSA-N -1 1 356.448 0.402 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC(=O)NC3=O)c(=O)c2c(OC)c1 ZINC000626212019 492947752 /nfs/dbraw/zinc/94/77/52/492947752.db2.gz HBOCEUPKSPQBPB-SNVBAGLBSA-N -1 1 359.338 0.080 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)C1CCOCC1 ZINC000645686203 492960091 /nfs/dbraw/zinc/96/00/91/492960091.db2.gz ADDWFKFFBFFYAU-SECBINFHSA-N -1 1 373.353 0.949 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1nc(C(F)(F)F)no1 ZINC000632479834 493005810 /nfs/dbraw/zinc/00/58/10/493005810.db2.gz KKWLOKNYECCJOX-SFYZADRCSA-N -1 1 358.342 0.399 10 0 FCAEMM Cn1nc(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c2ccccc2c1=O ZINC000646067578 493009497 /nfs/dbraw/zinc/00/94/97/493009497.db2.gz LSBJMCYBSRZLCP-NSHDSACASA-N -1 1 369.381 0.971 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@]2(O)CCOC2)o1 ZINC000652809965 493022377 /nfs/dbraw/zinc/02/23/77/493022377.db2.gz VKUPNGBTOXSBQB-OAHLLOKOSA-N -1 1 360.432 0.628 10 0 FCAEMM Cc1noc2ncc(S(=O)(=O)N[C@H](CN3CCCCC3)C(=O)[O-])cc12 ZINC000681578781 493189593 /nfs/dbraw/zinc/18/95/93/493189593.db2.gz UPMAUCXLJWYFHP-CYBMUJFWSA-N -1 1 368.415 0.749 10 0 FCAEMM O=C([O-])C1(CNC(=O)C(=O)N2CCN(C3CCCCC3)CC2)CCC1 ZINC000659669350 493241580 /nfs/dbraw/zinc/24/15/80/493241580.db2.gz SOSWAXDQIOFIAG-UHFFFAOYSA-N -1 1 351.447 0.834 10 0 FCAEMM CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000641605801 493264794 /nfs/dbraw/zinc/26/47/94/493264794.db2.gz VZQCZMTYFULBLE-SNVBAGLBSA-N -1 1 362.249 0.991 10 0 FCAEMM COC[C@](C)(CO)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000674384623 493412498 /nfs/dbraw/zinc/41/24/98/493412498.db2.gz VWRJRCLHJFLAGZ-AWEZNQCLSA-N -1 1 361.420 0.586 10 0 FCAEMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cn1 ZINC000684608289 493423432 /nfs/dbraw/zinc/42/34/32/493423432.db2.gz FBVGNTAFWKQLRY-UHFFFAOYSA-N -1 1 352.397 0.934 10 0 FCAEMM O=C([O-])[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCN1C1CC1)C1CCC1 ZINC000663631361 493607018 /nfs/dbraw/zinc/60/70/18/493607018.db2.gz ZLDYZFQCKYTOBV-CABCVRRESA-N -1 1 351.447 0.737 10 0 FCAEMM O=C(N1CCC[C@@H](c2nn[n-]n2)C1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000678797863 493661325 /nfs/dbraw/zinc/66/13/25/493661325.db2.gz TYRKRDZIDSDGNC-GFCCVEGCSA-N -1 1 361.427 0.912 10 0 FCAEMM O=c1nc(NC[C@@]2(CO)COCCN2Cc2ccccc2)nc2[nH][n-]cc1-2 ZINC000664534518 493665969 /nfs/dbraw/zinc/66/59/69/493665969.db2.gz KVEOIDCXAQTPPZ-GOSISDBHSA-N -1 1 370.413 0.107 10 0 FCAEMM CCOC(=O)CCS(=O)(=O)[N-][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444291813 535653748 /nfs/dbraw/zinc/65/37/48/535653748.db2.gz WHUBZZPFRIPWFJ-ABAIWWIYSA-N -1 1 365.448 0.606 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000424865941 536923249 /nfs/dbraw/zinc/92/32/49/536923249.db2.gz NCLDVJUROHSEMZ-JBEBIEQOSA-N -1 1 354.472 0.766 10 0 FCAEMM CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(F)c1 ZINC000327512499 546512810 /nfs/dbraw/zinc/51/28/10/546512810.db2.gz SSXMMKHQPLBTPQ-UHFFFAOYSA-N -1 1 373.406 0.565 10 0 FCAEMM COC(=O)C[C@@H]([N-]S(=O)(=O)CCCC1CCOCC1)C(=O)OC ZINC000592012318 546605089 /nfs/dbraw/zinc/60/50/89/546605089.db2.gz NECZJZZYDRFFAY-GFCCVEGCSA-N -1 1 351.421 0.217 10 0 FCAEMM Cn1nccc1[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000592105809 546608702 /nfs/dbraw/zinc/60/87/02/546608702.db2.gz JWPYRZIFJGSDDB-AAEUAGOBSA-N -1 1 359.448 0.901 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c1 ZINC000593628083 546723683 /nfs/dbraw/zinc/72/36/83/546723683.db2.gz WBHLFIRMOULAMQ-UHFFFAOYSA-N -1 1 353.356 0.407 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2)c1ccnn1C ZINC000594466969 546790626 /nfs/dbraw/zinc/79/06/26/546790626.db2.gz DKORKZWAUDCRHU-HNNXBMFYSA-N -1 1 363.395 0.742 10 0 FCAEMM CCC[C@H](C(=O)OCC)n1ccc([N-]S(=O)(=O)N2CCOCC2)n1 ZINC000594703283 546816428 /nfs/dbraw/zinc/81/64/28/546816428.db2.gz WEXNXXGQCTVHRY-GFCCVEGCSA-N -1 1 360.436 0.776 10 0 FCAEMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000594789696 546824200 /nfs/dbraw/zinc/82/42/00/546824200.db2.gz CTBWITCGQARCII-VIFPVBQESA-N -1 1 367.210 0.947 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C)[C@@H]1CCOC1 ZINC000594779970 546832879 /nfs/dbraw/zinc/83/28/79/546832879.db2.gz ZTVAEIPGUTVYHQ-RDBSUJKOSA-N -1 1 351.465 0.934 10 0 FCAEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000015756569 547347951 /nfs/dbraw/zinc/34/79/51/547347951.db2.gz CVODJTGZWFNJFM-UHFFFAOYSA-N -1 1 358.383 0.823 10 0 FCAEMM O=C([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1[nH]nc2c1CCCC2 ZINC000189808597 674383638 /nfs/dbraw/zinc/38/36/38/674383638.db2.gz ROQCUQIQULIIFN-UHFFFAOYSA-N -1 1 359.358 0.869 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)co1 ZINC000899611370 665946818 /nfs/dbraw/zinc/94/68/18/665946818.db2.gz NXGJMTZNYLLSLZ-LLVKDONJSA-N -1 1 356.322 0.575 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)o1 ZINC000899614446 665948507 /nfs/dbraw/zinc/94/85/07/665948507.db2.gz BEPOIZXOWNEHLH-NSHDSACASA-N -1 1 356.322 0.575 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1C(N)=O ZINC000028196385 664885160 /nfs/dbraw/zinc/88/51/60/664885160.db2.gz FIWYYDATMADYQB-UHFFFAOYSA-N -1 1 364.427 0.761 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)c1C(F)(F)F ZINC000866918778 665164013 /nfs/dbraw/zinc/16/40/13/665164013.db2.gz JKCJETCBFZMUIF-UHFFFAOYSA-N -1 1 363.383 0.540 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000866965365 665252054 /nfs/dbraw/zinc/25/20/54/665252054.db2.gz HYDSVRNVANFGOG-LAJNKCICSA-N -1 1 351.494 0.730 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000908712141 666216125 /nfs/dbraw/zinc/21/61/25/666216125.db2.gz ABCGWNDVWRUGDD-HRCADAONSA-N -1 1 352.479 0.766 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000921379194 666442061 /nfs/dbraw/zinc/44/20/61/666442061.db2.gz SKKWPIBSWULRML-SRVKXCTJSA-N -1 1 367.489 0.932 10 0 FCAEMM Cc1c(Br)cncc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913499185 666530796 /nfs/dbraw/zinc/53/07/96/666530796.db2.gz NKNGGRWSLLHDSR-JTQLQIEISA-N -1 1 353.180 0.879 10 0 FCAEMM COC(=O)C[N-]S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000913888309 666663712 /nfs/dbraw/zinc/66/37/12/666663712.db2.gz ABPBUWMHKSWTLQ-UHFFFAOYSA-N -1 1 366.189 0.770 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cn(C)nn2)c(Br)n1C ZINC000720613628 674759500 /nfs/dbraw/zinc/75/95/00/674759500.db2.gz BKLZNEQGHPQTCO-LURJTMIESA-N -1 1 363.241 0.659 10 0 FCAEMM CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccsc2Br)C1=O ZINC000915322180 666842341 /nfs/dbraw/zinc/84/23/41/666842341.db2.gz MUZTYWHLQQPEQZ-ZETCQYMHSA-N -1 1 367.246 0.687 10 0 FCAEMM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000735767912 667044688 /nfs/dbraw/zinc/04/46/88/667044688.db2.gz DGZLLBHYPPKXNG-LBPRGKRZSA-N -1 1 366.399 0.565 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)c2cccnc2)c1C(F)(F)F ZINC000917484461 667075692 /nfs/dbraw/zinc/07/56/92/667075692.db2.gz KNHDCYKDWSIQCR-VIFPVBQESA-N -1 1 350.322 0.846 10 0 FCAEMM C[C@H]1CCN(C(=O)NC[C@@H]2COCO2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000923842606 667141765 /nfs/dbraw/zinc/14/17/65/667141765.db2.gz AAUAKUMPBXUZSP-MMWGEVLESA-N -1 1 353.341 0.846 10 0 FCAEMM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1nc[nH]c1Br ZINC000921614408 667144260 /nfs/dbraw/zinc/14/42/60/667144260.db2.gz VJDAYPDWBHYVAW-PRJMDXOYSA-N -1 1 352.210 0.254 10 0 FCAEMM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc2cc(F)ccc2o1 ZINC000918970770 667147199 /nfs/dbraw/zinc/14/71/99/667147199.db2.gz JCRVUTOCEBCLGJ-ZDUSSCGKSA-N -1 1 358.391 0.543 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@@H]1CN(C)CCN1C ZINC000919975160 667211547 /nfs/dbraw/zinc/21/15/47/667211547.db2.gz SXTNEOCBTPIBSQ-OABGYEMISA-N -1 1 354.542 0.351 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)[C@@H]1CN(C)CCN1C ZINC000919982658 667214291 /nfs/dbraw/zinc/21/42/91/667214291.db2.gz VMDRFGBIIPFBSR-HMFCALDFSA-N -1 1 374.532 0.612 10 0 FCAEMM COC(=O)/C(C)=C\C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000921220205 667273259 /nfs/dbraw/zinc/27/32/59/667273259.db2.gz JFJLPLKZUNDVLL-ALCCZGGFSA-N -1 1 366.237 0.889 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCOC2CCOCC2)c1C(F)(F)F ZINC000921875911 667529658 /nfs/dbraw/zinc/52/96/58/667529658.db2.gz NYPGEANAKYLTKZ-UHFFFAOYSA-N -1 1 357.354 0.913 10 0 FCAEMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC000921912425 667540617 /nfs/dbraw/zinc/54/06/17/667540617.db2.gz RJWFCRFVNQYJAJ-XMHCIUCPSA-N -1 1 367.537 0.970 10 0 FCAEMM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000921966924 667556102 /nfs/dbraw/zinc/55/61/02/667556102.db2.gz OMJRHQVVUQYKLK-MRVPVSSYSA-N -1 1 350.194 0.788 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N=c1ccn(C)[nH]1)c1ccccc1 ZINC000451461605 667556934 /nfs/dbraw/zinc/55/69/34/667556934.db2.gz BDCOZWMPBAHIJB-ZDUSSCGKSA-N -1 1 352.416 0.088 10 0 FCAEMM COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@H]2C[C@H]21 ZINC000921990533 667560726 /nfs/dbraw/zinc/56/07/26/667560726.db2.gz NRWSSTNQMJHSSR-XAVMHZPKSA-N -1 1 367.349 0.915 10 0 FCAEMM CN(C)S(=O)(=O)CCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC000922547197 667663219 /nfs/dbraw/zinc/66/32/19/667663219.db2.gz BRRIURXQWHDZMT-UHFFFAOYSA-N -1 1 351.375 0.404 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)co1 ZINC000756569126 667679095 /nfs/dbraw/zinc/67/90/95/667679095.db2.gz ATBJLKLSTQMEAL-ZJUUUORDSA-N -1 1 351.402 0.310 10 0 FCAEMM CCOCCOCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000923256368 667819875 /nfs/dbraw/zinc/81/98/75/667819875.db2.gz XTKUUBORSQVCBD-GHMZBOCLSA-N -1 1 356.341 0.636 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)o1 ZINC000761246401 667883549 /nfs/dbraw/zinc/88/35/49/667883549.db2.gz NUKQXRFVLHZFFJ-DTWKUNHWSA-N -1 1 351.402 0.310 10 0 FCAEMM O=C(CCCNC(=O)c1ccsc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738057211 667901059 /nfs/dbraw/zinc/90/10/59/667901059.db2.gz YYJLPQRICPLQIS-NSHDSACASA-N -1 1 350.404 0.371 10 0 FCAEMM COC[C@]1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)CCOC1 ZINC000838260262 667926789 /nfs/dbraw/zinc/92/67/89/667926789.db2.gz RPDKQLBJCOXUAN-QGZVFWFLSA-N -1 1 351.355 0.548 10 0 FCAEMM Cn1[n-]c(COC(=O)c2cnn3cc(Br)cnc23)nc1=O ZINC000765497238 668008476 /nfs/dbraw/zinc/00/84/76/668008476.db2.gz MYFPOSNPSQFNOH-UHFFFAOYSA-N -1 1 353.136 0.271 10 0 FCAEMM C[C@H]1CCN(C(=O)NCC(=O)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804870698 668028564 /nfs/dbraw/zinc/02/85/64/668028564.db2.gz GMDCOVDYJMZRKA-QXEWZRGKSA-N -1 1 352.357 0.562 10 0 FCAEMM COC(=O)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000778299011 668359857 /nfs/dbraw/zinc/35/98/57/668359857.db2.gz QPPRCOAXCVOCBG-MRVPVSSYSA-N -1 1 361.372 0.644 10 0 FCAEMM CC(C)(C)N1C[C@H](C(=O)OCCOCC[N-]C(=O)C(F)(F)F)CC1=O ZINC000782645671 668573546 /nfs/dbraw/zinc/57/35/46/668573546.db2.gz OGHUNXDXBIQKKL-SNVBAGLBSA-N -1 1 368.352 0.872 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nnc(C3CCC3)n2C)o1 ZINC000783124587 668599221 /nfs/dbraw/zinc/59/92/21/668599221.db2.gz RNGDVWYYXWPOBG-UHFFFAOYSA-N -1 1 354.388 0.941 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCc2ccccc2)o1 ZINC000786198838 668750162 /nfs/dbraw/zinc/75/01/62/668750162.db2.gz VHXVLBIZKQKQDQ-UHFFFAOYSA-N -1 1 352.368 0.443 10 0 FCAEMM Cc1ccc(Br)nc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000788001515 668818959 /nfs/dbraw/zinc/81/89/59/668818959.db2.gz VIWNTIWDDYFEPA-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM Cc1ccc(Br)nc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000788001515 668818961 /nfs/dbraw/zinc/81/89/61/668818961.db2.gz VIWNTIWDDYFEPA-UHFFFAOYSA-N -1 1 360.193 0.926 10 0 FCAEMM Cn1cc(C(N)=O)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021138 669275807 /nfs/dbraw/zinc/27/58/07/669275807.db2.gz OBCSVAJWOKWOKB-UHFFFAOYSA-N -1 1 360.336 0.655 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NCCC3CCS(=O)(=O)CC3)ccnc1-2 ZINC000806484953 669416976 /nfs/dbraw/zinc/41/69/76/669416976.db2.gz RHBNZUGLHAZSSS-UHFFFAOYSA-N -1 1 351.432 0.678 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)n1 ZINC000806695481 669433074 /nfs/dbraw/zinc/43/30/74/669433074.db2.gz QOBQECFXHMJHJK-JTQLQIEISA-N -1 1 371.325 0.618 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)[n-]1 ZINC000806695481 669433077 /nfs/dbraw/zinc/43/30/77/669433077.db2.gz QOBQECFXHMJHJK-JTQLQIEISA-N -1 1 371.325 0.618 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O)C1CCOCC1 ZINC000827625676 669584689 /nfs/dbraw/zinc/58/46/89/669584689.db2.gz PSAVGIZQIXOUNU-DJIMGWMZSA-N -1 1 371.455 0.842 10 0 FCAEMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811139033 669733655 /nfs/dbraw/zinc/73/36/55/669733655.db2.gz ZQKAQURTDQDDSU-HNNXBMFYSA-N -1 1 366.455 0.844 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000831332993 669842101 /nfs/dbraw/zinc/84/21/01/669842101.db2.gz NTPHQQSCCWGWJS-MWLCHTKSSA-N -1 1 369.472 0.466 10 0 FCAEMM CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)NCc2nn[n-]n2)c1 ZINC000832228789 669895387 /nfs/dbraw/zinc/89/53/87/669895387.db2.gz SWCBPGWEZLYEIV-UHFFFAOYSA-N -1 1 350.383 0.795 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@H]1n1cccn1 ZINC000815109477 669900423 /nfs/dbraw/zinc/90/04/23/669900423.db2.gz DCMCMMRREJHPOV-GMTAPVOTSA-N -1 1 359.839 0.967 10 0 FCAEMM COCCN1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C1 ZINC000867149873 670018397 /nfs/dbraw/zinc/01/83/97/670018397.db2.gz YQIYGIVXFMSAEZ-WHEQGISXSA-N -1 1 361.489 0.698 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CC2(N3CCOCC3)CC2)c1C(F)(F)F ZINC000867194209 670060444 /nfs/dbraw/zinc/06/04/44/670060444.db2.gz OZLUKRFZCTYIFO-UHFFFAOYSA-N -1 1 368.381 0.582 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000867196144 670064652 /nfs/dbraw/zinc/06/46/52/670064652.db2.gz RBRXTUHEGSQRHV-IPQOISQHSA-N -1 1 363.509 0.649 10 0 FCAEMM COC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CCCO1 ZINC000867207818 670074598 /nfs/dbraw/zinc/07/45/98/670074598.db2.gz VYYVVWBHHLBCJM-RKDXNWHRSA-N -1 1 357.354 0.911 10 0 FCAEMM CO[C@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)[C@@H]1CCOC1 ZINC000867496301 670124048 /nfs/dbraw/zinc/12/40/48/670124048.db2.gz ABHYGXKUHISNBD-HTQZYQBOSA-N -1 1 354.226 0.502 10 0 FCAEMM CC(C)CN1N=C(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CCC1=O ZINC000843015530 670766863 /nfs/dbraw/zinc/76/68/63/670766863.db2.gz LQESUNSFKZGJRF-UHFFFAOYSA-N -1 1 372.491 0.551 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccccc2OCC(N)=O)CCC1 ZINC000843017520 670768084 /nfs/dbraw/zinc/76/80/84/670768084.db2.gz HYRCSGSIJXUUDP-UHFFFAOYSA-N -1 1 369.443 0.095 10 0 FCAEMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019587 670769249 /nfs/dbraw/zinc/76/92/49/670769249.db2.gz SJHMOEZZUZRVSI-KGLIPLIRSA-N -1 1 362.492 0.891 10 0 FCAEMM CCON(C)C(=O)CNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000844547321 670928813 /nfs/dbraw/zinc/92/88/13/670928813.db2.gz MJHSSLDPGHSJTM-UHFFFAOYSA-N -1 1 374.419 0.598 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000845464308 671007376 /nfs/dbraw/zinc/00/73/76/671007376.db2.gz USMGOHMPUSXXOX-TUAOUCFPSA-N -1 1 351.407 0.858 10 0 FCAEMM CCON(C)C(=O)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000845559459 671021934 /nfs/dbraw/zinc/02/19/34/671021934.db2.gz XKJUEGUOHGFYNS-SNVBAGLBSA-N -1 1 368.356 0.496 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(CO)OC)c(F)cc1Cl ZINC000848468081 671278956 /nfs/dbraw/zinc/27/89/56/671278956.db2.gz ZHCSNGKBWJULFN-CYBMUJFWSA-N -1 1 369.798 0.941 10 0 FCAEMM CC(C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000849231382 671323358 /nfs/dbraw/zinc/32/33/58/671323358.db2.gz COHGJGLWRFEAJB-BDAKNGLRSA-N -1 1 360.354 0.568 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O)[C@@H]1CCOC1 ZINC000849393654 671335253 /nfs/dbraw/zinc/33/52/53/671335253.db2.gz BPRLTGFRNSWQQQ-UIBBOPPKSA-N -1 1 357.428 0.452 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(=O)[nH]c1=O ZINC000849418593 671340554 /nfs/dbraw/zinc/34/05/54/671340554.db2.gz CCJVIGINUZTGPI-ZDUSSCGKSA-N -1 1 373.475 0.969 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)c1Cl ZINC000849418952 671340649 /nfs/dbraw/zinc/34/06/49/671340649.db2.gz FZTQXBPKEUSWKK-LJQANCHMSA-N -1 1 353.775 0.663 10 0 FCAEMM COC[C@@](C)(O)CCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852363896 671503501 /nfs/dbraw/zinc/50/35/01/671503501.db2.gz OFVPEMJGFQHHEA-SUNKGSAMSA-N -1 1 369.384 0.872 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(N)=O ZINC000852520286 671511511 /nfs/dbraw/zinc/51/15/11/671511511.db2.gz FTQWTGWUAQZOPZ-WPRPVWTQSA-N -1 1 353.341 0.325 10 0 FCAEMM CN(C)c1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852732320 671520000 /nfs/dbraw/zinc/52/00/00/671520000.db2.gz AUPPHCBMOWZEHN-APPZFPTMSA-N -1 1 365.312 0.232 10 0 FCAEMM CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856419394 671688062 /nfs/dbraw/zinc/68/80/62/671688062.db2.gz MGXKLPLLAKTXAI-DVVUODLYSA-N -1 1 367.393 0.823 10 0 FCAEMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859000714 671788420 /nfs/dbraw/zinc/78/84/20/671788420.db2.gz BXCHIZNHKXDHBK-ZCFIWIBFSA-N -1 1 352.185 0.492 10 0 FCAEMM CN(C)C(=O)OCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859221495 671801988 /nfs/dbraw/zinc/80/19/88/671801988.db2.gz ORVSJQVHPANERK-UHFFFAOYSA-N -1 1 370.200 0.960 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2csc(-c3ccccn3)n2)[n-]1 ZINC000116614426 671802016 /nfs/dbraw/zinc/80/20/16/671802016.db2.gz YJGLCSNOAJRBDC-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2csc(-c3ccccn3)n2)n[n-]1 ZINC000116614426 671802021 /nfs/dbraw/zinc/80/20/21/671802021.db2.gz YJGLCSNOAJRBDC-UHFFFAOYSA-N -1 1 350.385 0.979 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(Br)n1C ZINC000859286692 671810101 /nfs/dbraw/zinc/81/01/01/671810101.db2.gz IXUQDUZQXTZJJP-RKDXNWHRSA-N -1 1 368.253 0.309 10 0 FCAEMM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1 ZINC000860350115 671881924 /nfs/dbraw/zinc/88/19/24/671881924.db2.gz WDURZVIIFAWPHP-DFVUYQKZSA-N -1 1 351.388 0.616 10 0 FCAEMM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)C1 ZINC000866617664 672284787 /nfs/dbraw/zinc/28/47/87/672284787.db2.gz NBUPARDOWBNQKG-CQSZACIVSA-N -1 1 366.443 0.410 10 0 FCAEMM C[C@H]1COCCN1CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866736592 672294733 /nfs/dbraw/zinc/29/47/33/672294733.db2.gz ZHUWDBBBGXSSAP-WHEQGISXSA-N -1 1 361.489 0.698 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC000867451400 672317702 /nfs/dbraw/zinc/31/77/02/672317702.db2.gz FUKDIICEBFLPDW-DCVWQXJKSA-N -1 1 353.510 0.438 10 0 FCAEMM CCN1C[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000867460690 672319600 /nfs/dbraw/zinc/31/96/00/672319600.db2.gz FLHHBEBYRKFHAE-YTEVENLXSA-N -1 1 359.473 0.846 10 0 FCAEMM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CCOC1 ZINC000867497516 672326258 /nfs/dbraw/zinc/32/62/58/672326258.db2.gz RBMVPTSRNFKOHU-BDAKNGLRSA-N -1 1 357.354 0.769 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@@H](C)CO1 ZINC000867503113 672327352 /nfs/dbraw/zinc/32/73/52/672327352.db2.gz BIGZHDPERRKSSE-VHSXEESVSA-N -1 1 370.397 0.826 10 0 FCAEMM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867547406 672335067 /nfs/dbraw/zinc/33/50/67/672335067.db2.gz BRMMXADPXNZADI-UHFFFAOYSA-N -1 1 363.264 0.590 10 0 FCAEMM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867562759 672337865 /nfs/dbraw/zinc/33/78/65/672337865.db2.gz SLOYHGGRFOZLCY-VHSXEESVSA-N -1 1 364.370 0.996 10 0 FCAEMM O=S(=O)([N-][C@H]1CCCN(CCF)C1)c1nc[nH]c1Br ZINC000867713122 672357950 /nfs/dbraw/zinc/35/79/50/672357950.db2.gz MOPKEDGWQGCOOZ-QMMMGPOBSA-N -1 1 355.233 0.884 10 0 FCAEMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000867762499 672364669 /nfs/dbraw/zinc/36/46/69/672364669.db2.gz DVSTUGQSNVPABM-UWVGGRQHSA-N -1 1 357.375 0.646 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867773878 672366169 /nfs/dbraw/zinc/36/61/69/672366169.db2.gz BPHFVRCXSQPAKM-VXNVDRBHSA-N -1 1 371.337 0.295 10 0 FCAEMM CO[C@H](CNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000868760275 672409641 /nfs/dbraw/zinc/40/96/41/672409641.db2.gz UPOUYVPUMIIHRZ-JTNHKYCSSA-N -1 1 367.368 0.890 10 0 FCAEMM CO[C@H]1COCC[C@@H]1CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869530359 672438245 /nfs/dbraw/zinc/43/82/45/672438245.db2.gz NPHDQLSCMDXPAX-KOLCDFICSA-N -1 1 355.309 0.609 10 0 FCAEMM CCO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000870447803 672493104 /nfs/dbraw/zinc/49/31/04/672493104.db2.gz YYYJRJGTSMBDBM-KBPBESRZSA-N -1 1 362.492 0.748 10 0 FCAEMM COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2ncccc2[O-])CCO1 ZINC000870899960 672518160 /nfs/dbraw/zinc/51/81/60/672518160.db2.gz HWUSEWQZYHKDQM-QGZVFWFLSA-N -1 1 352.387 0.987 10 0 FCAEMM COC(=O)c1ccnc(S(=O)(=O)[N-]C[C@@]2(C(F)(F)F)CCCN2)c1 ZINC000923684184 673448549 /nfs/dbraw/zinc/44/85/49/673448549.db2.gz BMDAMNUQOIHIOQ-GFCCVEGCSA-N -1 1 367.349 0.831 10 0 FCAEMM O=C(N[C@@H]1CCCN2CCSC[C@@H]12)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000925170959 673781364 /nfs/dbraw/zinc/78/13/64/673781364.db2.gz OQKGXXDMCGXGHT-OLZOCXBDSA-N -1 1 366.491 0.979 10 0 FCAEMM CC[C@@H](CNC(=O)C(=O)N1CCN(CC2CCCCC2)CC1)C(=O)[O-] ZINC000927956976 673893902 /nfs/dbraw/zinc/89/39/02/673893902.db2.gz SHPAYATUOMPPQQ-HNNXBMFYSA-N -1 1 353.463 0.938 10 0 FCAEMM CO[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)[C@](C)(C(=O)[O-])C1 ZINC000929063267 673937600 /nfs/dbraw/zinc/93/76/00/673937600.db2.gz JJQXULRYCYHLNB-VLXAULBPSA-N -1 1 357.476 0.840 10 0 FCAEMM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC000900743137 675712764 /nfs/dbraw/zinc/71/27/64/675712764.db2.gz ZWKBZFVZEADNED-SECBINFHSA-N -1 1 353.375 0.843 10 0 FCAEMM COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001167469806 1170387719 /nfs/dbraw/zinc/38/77/19/1170387719.db2.gz AJKFHYVJWMHXEN-GFCCVEGCSA-N -1 1 373.365 0.123 10 0 FCAEMM Cn1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)nn1 ZINC000092082956 1178886294 /nfs/dbraw/zinc/88/62/94/1178886294.db2.gz WGZYDQOGRYMDQH-UHFFFAOYSA-N -1 1 372.410 0.941 10 0 FCAEMM CCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001267482154 1181317700 /nfs/dbraw/zinc/31/77/00/1181317700.db2.gz OOVRAJHBMXBINA-YJNKXOJESA-N -1 1 363.462 0.489 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1COc2ccccc2[C@@H]1O ZINC001687390501 1188303936 /nfs/dbraw/zinc/30/39/36/1188303936.db2.gz AHBGUOYRXWXWKC-CJNGLKHVSA-N -1 1 372.381 0.549 10 0 FCAEMM CC[C@@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)OC ZINC000592864145 1196585014 /nfs/dbraw/zinc/58/50/14/1196585014.db2.gz JYKAETSVUSUGTI-LBPRGKRZSA-N -1 1 358.398 0.998 10 0 FCAEMM Cn1ccnc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1=O ZINC000745991825 1198955233 /nfs/dbraw/zinc/95/52/33/1198955233.db2.gz UQPNLJSYCZXSSL-UHFFFAOYSA-N -1 1 368.393 0.915 10 0 FCAEMM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000822332501 1203227291 /nfs/dbraw/zinc/22/72/91/1203227291.db2.gz MFWYEEWEKUUMMP-UGSOOPFHSA-N -1 1 372.381 0.618 10 0 FCAEMM CC(C)(C)OC(=O)C1(C)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000844044682 1203331867 /nfs/dbraw/zinc/33/18/67/1203331867.db2.gz KLAYHUKVCNUFOM-UHFFFAOYSA-N -1 1 365.430 0.897 10 0 FCAEMM COc1ccc(C2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)nc1 ZINC000846294861 1204611462 /nfs/dbraw/zinc/61/14/62/1204611462.db2.gz QSWAATGBGZNJSC-UHFFFAOYSA-N -1 1 358.398 0.737 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC001146458677 1204724486 /nfs/dbraw/zinc/72/44/86/1204724486.db2.gz JWAXQSJOEGIEIB-UHFFFAOYSA-N -1 1 364.402 0.807 10 0 FCAEMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC001146489375 1204727325 /nfs/dbraw/zinc/72/73/25/1204727325.db2.gz TYPJKNAOYANAKN-AWEZNQCLSA-N -1 1 372.429 0.579 10 0 FCAEMM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC001146647613 1204735091 /nfs/dbraw/zinc/73/50/91/1204735091.db2.gz WYGNQMCDPHKGDV-UHFFFAOYSA-N -1 1 358.398 0.862 10 0 FCAEMM C[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001174931718 1206297196 /nfs/dbraw/zinc/29/71/96/1206297196.db2.gz UZYQTYDBQIRYOR-RTXFEEFZSA-N -1 1 360.418 0.469 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000773470943 1206301851 /nfs/dbraw/zinc/30/18/51/1206301851.db2.gz XIQLEOHRDBSMGI-LJQANCHMSA-N -1 1 355.394 0.975 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nn[n-]n1 ZINC001177826696 1206346796 /nfs/dbraw/zinc/34/67/96/1206346796.db2.gz AAWFTVFWFRSDDF-OCCSQVGLSA-N -1 1 373.417 0.019 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CCN2C(=O)C(C)=C(C)C2=O)[n-]c1=O ZINC001180060067 1206388624 /nfs/dbraw/zinc/38/86/24/1206388624.db2.gz QPJBHEUVCLNHKT-GFCCVEGCSA-N -1 1 374.397 0.950 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC1CC(CCO)C1 ZINC001180257311 1206391363 /nfs/dbraw/zinc/39/13/63/1206391363.db2.gz SEXMMMPKQVLBMF-UHFFFAOYSA-N -1 1 364.446 0.537 10 0 FCAEMM COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1nn[n-]n1 ZINC001180266586 1206391515 /nfs/dbraw/zinc/39/15/15/1206391515.db2.gz XWOINHYAEFDYCB-GFCCVEGCSA-N -1 1 368.438 0.617 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CCNC(=O)NC(C)C ZINC001489111621 1208627592 /nfs/dbraw/zinc/62/75/92/1208627592.db2.gz SFNJEDAKCUSPBE-QWHCGFSZSA-N -1 1 366.466 0.714 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001489576731 1208956185 /nfs/dbraw/zinc/95/61/85/1208956185.db2.gz DHFGGOPVQBESGI-OAAFTFSASA-N -1 1 360.414 0.717 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCN1C(=O)CCOC ZINC001490007652 1209210294 /nfs/dbraw/zinc/21/02/94/1209210294.db2.gz NNDJTTMVJPRHIW-VHSXEESVSA-N -1 1 368.390 0.042 10 0 FCAEMM C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001490233571 1209281417 /nfs/dbraw/zinc/28/14/17/1209281417.db2.gz MRUAOACLPCGOKF-OAVHHTNSSA-N -1 1 360.414 0.219 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1cc[n+]([O-])cc1 ZINC001490382455 1209330397 /nfs/dbraw/zinc/33/03/97/1209330397.db2.gz VDQFSWFOTILBEJ-UKRRQHHQSA-N -1 1 370.409 0.949 10 0 FCAEMM CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001490741312 1209420251 /nfs/dbraw/zinc/42/02/51/1209420251.db2.gz VGBIMXZZUSHTKR-BZPMIXESSA-N -1 1 372.429 0.860 10 0 FCAEMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2n1CCC2 ZINC000851701771 1209516838 /nfs/dbraw/zinc/51/68/38/1209516838.db2.gz IHONOVYGFDNQLZ-GZMMTYOYSA-N -1 1 374.319 0.566 10 0 FCAEMM COC(=O)[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H]2CCCC[C@@H]12 ZINC000855642990 1209676633 /nfs/dbraw/zinc/67/66/33/1209676633.db2.gz NEKUHIAZVGPHSV-MJBXVCDLSA-N -1 1 363.414 0.507 10 0 FCAEMM O=C(COC(=O)c1ccnc(N2CCOCC2)n1)[N-]C(=O)c1ccccc1 ZINC000859936327 1209833200 /nfs/dbraw/zinc/83/32/00/1209833200.db2.gz PUIYVDBDWIAYBI-UHFFFAOYSA-N -1 1 370.365 0.427 10 0 FCAEMM CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCc2nn[n-]n2)C1 ZINC000860838488 1209856705 /nfs/dbraw/zinc/85/67/05/1209856705.db2.gz PZQRWRIBKZBDGK-SUMWQHHRSA-N -1 1 374.401 0.632 10 0 FCAEMM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCc2nn[n-]n2)C1 ZINC000860838482 1209856712 /nfs/dbraw/zinc/85/67/12/1209856712.db2.gz PZQRWRIBKZBDGK-CXAGYDPISA-N -1 1 374.401 0.632 10 0 FCAEMM O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861550868 1209871093 /nfs/dbraw/zinc/87/10/93/1209871093.db2.gz YGOSVMRTSSEOGT-LLVKDONJSA-N -1 1 374.363 0.578 10 0 FCAEMM Cc1cccc2c1C[C@@H](NC(=O)C(=O)N=c1ccnc3n(C)[n-]cc1-3)CO2 ZINC000861965285 1209889906 /nfs/dbraw/zinc/88/99/06/1209889906.db2.gz IAILLJKZUAKVOA-GFCCVEGCSA-N -1 1 365.393 0.709 10 0 FCAEMM CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000862685999 1209921432 /nfs/dbraw/zinc/92/14/32/1209921432.db2.gz ZNFNGDBOOUXZJJ-CQSZACIVSA-N -1 1 361.354 0.209 10 0 FCAEMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000863861452 1209954444 /nfs/dbraw/zinc/95/44/44/1209954444.db2.gz XOUBRCAGRHDKAG-YWAHFTAISA-N -1 1 355.354 0.126 10 0 FCAEMM Cc1cccc(CN2CCO[C@H](CNC(=O)CCCc3nn[n-]n3)C2)c1 ZINC000826551665 1210852144 /nfs/dbraw/zinc/85/21/44/1210852144.db2.gz ONXLUXKEZAQXDD-MRXNPFEDSA-N -1 1 358.446 0.848 10 0 FCAEMM C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929407818 1211637610 /nfs/dbraw/zinc/63/76/10/1211637610.db2.gz LECGCTAPZXVXII-LLVKDONJSA-N -1 1 371.384 0.166 10 0 FCAEMM Cn1cc(CCCNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC000929953357 1211675661 /nfs/dbraw/zinc/67/56/61/1211675661.db2.gz ALYKUXZWAAFTLA-UHFFFAOYSA-N -1 1 366.368 0.812 10 0 FCAEMM COc1cc(CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc(OC)c1O ZINC000826834252 1218908427 /nfs/dbraw/zinc/90/84/27/1218908427.db2.gz OOVHOGWJJSBRKU-CYBMUJFWSA-N -1 1 363.374 0.455 10 0 FCAEMM Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC000752840163 1220083016 /nfs/dbraw/zinc/08/30/16/1220083016.db2.gz NIHHCDQSLYKGBY-LRDDRELGSA-N -1 1 369.381 0.841 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C(=O)[O-])cn2)CC1 ZINC000780432017 1221025014 /nfs/dbraw/zinc/02/50/14/1221025014.db2.gz JAYNNYVIYQDTSW-HNNXBMFYSA-N -1 1 361.446 0.982 10 0 FCAEMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC000798148764 1221280380 /nfs/dbraw/zinc/28/03/80/1221280380.db2.gz QFBOEJDUCVLVAZ-FZMZJTMJSA-N -1 1 370.413 0.918 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(n2ccnn2)C1 ZINC001119600698 1221939793 /nfs/dbraw/zinc/93/97/93/1221939793.db2.gz WUZKBHVKCBCKKR-UHFFFAOYSA-N -1 1 351.370 0.358 10 0 FCAEMM CC(C)N1C[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC001119686547 1221950915 /nfs/dbraw/zinc/95/09/15/1221950915.db2.gz KTVNHTRBCYFUSA-JTQLQIEISA-N -1 1 369.368 0.455 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CC1 ZINC001123910273 1222365398 /nfs/dbraw/zinc/36/53/98/1222365398.db2.gz LBPXOJRYCHKIJE-AWEZNQCLSA-N -1 1 372.477 0.627 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3COC(=O)N3)c2)n1 ZINC000831377320 1222496331 /nfs/dbraw/zinc/49/63/31/1222496331.db2.gz WJRVAWMNZKCDHE-NSHDSACASA-N -1 1 359.342 0.373 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCc3nn[n-]n3)=NO2)C1 ZINC000832223212 1222523854 /nfs/dbraw/zinc/52/38/54/1222523854.db2.gz ZQGYEJISRCINNP-HNNXBMFYSA-N -1 1 365.394 0.362 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001139431856 1222550193 /nfs/dbraw/zinc/55/01/93/1222550193.db2.gz QTGUEXVUERYLOU-MNOVXSKESA-N -1 1 350.371 0.699 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC001139570146 1222553825 /nfs/dbraw/zinc/55/38/25/1222553825.db2.gz NAMDUPUEOXFKEW-NSHDSACASA-N -1 1 368.390 0.002 10 0 FCAEMM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)CNC(=O)c1ncccc1[O-] ZINC001164445894 1223238487 /nfs/dbraw/zinc/23/84/87/1223238487.db2.gz UEEGKBZMSNAQPZ-LBPRGKRZSA-N -1 1 356.382 0.410 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCc4cc(Cl)nnc4C3)ccnc1-2 ZINC001328223283 1265507490 /nfs/dbraw/zinc/50/74/90/1265507490.db2.gz ILDXTNXQNBUSDB-UHFFFAOYSA-N -1 1 371.788 0.309 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)ccn2)CC1 ZINC001329283024 1265725683 /nfs/dbraw/zinc/72/56/83/1265725683.db2.gz ZABQBQUQWMVGIR-LSDHHAIUSA-N -1 1 361.446 0.886 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC001329594011 1265789496 /nfs/dbraw/zinc/78/94/96/1265789496.db2.gz LZJUMDOSCJFBQE-ZDCRXTMVSA-N -1 1 372.351 0.390 10 0 FCAEMM C/C=C(/C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001521932042 1266236809 /nfs/dbraw/zinc/23/68/09/1266236809.db2.gz QOWBAPOKXLGOND-RHHBVARJSA-N -1 1 362.430 0.104 10 0 FCAEMM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001128428948 1259197313 /nfs/dbraw/zinc/19/73/13/1259197313.db2.gz VUHLMRFOAFDMBG-UHFFFAOYSA-N -1 1 360.418 0.090 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)nc2C1 ZINC001168692586 1259389939 /nfs/dbraw/zinc/38/99/39/1259389939.db2.gz DVEFTSKRKJCZBL-SWLSCSKDSA-N -1 1 353.386 0.877 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCN4C(=O)N=NC4C3)c(=O)c2c(OC)c1 ZINC001335404169 1259648949 /nfs/dbraw/zinc/64/89/49/1259648949.db2.gz DHALQXPIPBEFKZ-UHFFFAOYSA-N -1 1 371.353 0.498 10 0 FCAEMM CCCN1C[C@H](CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1=O ZINC001252034752 1259776250 /nfs/dbraw/zinc/77/62/50/1259776250.db2.gz GCQRLMJMMWGLNF-NSHDSACASA-N -1 1 363.418 0.313 10 0 FCAEMM O=C(NCCCNC(=O)C1CCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254488852 1259886631 /nfs/dbraw/zinc/88/66/31/1259886631.db2.gz NZIXADRCXGNWHI-UHFFFAOYSA-N -1 1 363.418 0.361 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CO)Cc1ccccc1 ZINC001254490103 1259886820 /nfs/dbraw/zinc/88/68/20/1259886820.db2.gz VSWGYPSHUYVXRC-CYBMUJFWSA-N -1 1 358.398 0.658 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN2C(=O)N=NC2C1 ZINC001254877625 1259899762 /nfs/dbraw/zinc/89/97/62/1259899762.db2.gz ZFRMLXMBRSLFRR-UHFFFAOYSA-N -1 1 367.369 0.435 10 0 FCAEMM Cn1[n-]c(CN(CCO)[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)nc1=O ZINC001264076777 1260363774 /nfs/dbraw/zinc/36/37/74/1260363774.db2.gz MGCRLMYCMDLJLD-HBUWYVDXSA-N -1 1 363.462 0.084 10 0 FCAEMM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ncccc1[O-] ZINC001281119359 1261094554 /nfs/dbraw/zinc/09/45/54/1261094554.db2.gz JGVNWIYPWPWYHG-MELADBBJSA-N -1 1 356.382 0.193 10 0 FCAEMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001282014525 1261332700 /nfs/dbraw/zinc/33/27/00/1261332700.db2.gz ZNZHCBFMCRICKN-AAVRWANBSA-N -1 1 362.430 0.126 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)Cn2c3ccccc3n(C)c2=O)[n-]c1=O ZINC001472022097 1261426631 /nfs/dbraw/zinc/42/66/31/1261426631.db2.gz PVPIHAGCGAHFPV-UHFFFAOYSA-N -1 1 371.397 0.896 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)C[C@H](C)OC)[C@@H]1C ZINC001282369819 1261432491 /nfs/dbraw/zinc/43/24/91/1261432491.db2.gz RRYNYGBZSKQUNJ-AEJSXWLSSA-N -1 1 368.390 0.041 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)co1 ZINC001472174604 1261447384 /nfs/dbraw/zinc/44/73/84/1261447384.db2.gz ZCZYEPNHVSOLNF-GFCCVEGCSA-N -1 1 358.416 0.646 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)C2(C)CC2)[C@H](C)C1 ZINC001282484316 1261478358 /nfs/dbraw/zinc/47/83/58/1261478358.db2.gz AGFLMVNPIALIDT-NXEZZACHSA-N -1 1 364.402 0.521 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])ccn2)CC1 ZINC001332490148 1266415604 /nfs/dbraw/zinc/41/56/04/1266415604.db2.gz SWONNYIAGQEHHJ-BEFAXECRSA-N -1 1 373.457 0.982 10 0 FCAEMM COC[C@H](OC)C(=O)NCC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001282561615 1261530730 /nfs/dbraw/zinc/53/07/30/1261530730.db2.gz KRVNCDAHFPEWFF-NFAWXSAZSA-N -1 1 365.430 0.663 10 0 FCAEMM CCCOCC(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001345501120 1261724949 /nfs/dbraw/zinc/72/49/49/1261724949.db2.gz NBQHXQQSEWERQV-ZJUUUORDSA-N -1 1 368.390 0.042 10 0 FCAEMM O=C(CCC(F)F)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001289626700 1262277785 /nfs/dbraw/zinc/27/77/85/1262277785.db2.gz JOGIUCYGMZTVBO-MNOVXSKESA-N -1 1 370.356 0.406 10 0 FCAEMM NC(=O)CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001290220636 1262403691 /nfs/dbraw/zinc/40/36/91/1262403691.db2.gz BOSWZOSTVFYHCY-QWHCGFSZSA-N -1 1 362.430 0.848 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)C[C@@H](C)OC)[C@H]1C ZINC001290594770 1262472419 /nfs/dbraw/zinc/47/24/19/1262472419.db2.gz WXGXSKVXOFXQBH-BBBLOLIVSA-N -1 1 368.390 0.041 10 0 FCAEMM CC/C(C)=C\C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001290614138 1262476356 /nfs/dbraw/zinc/47/63/56/1262476356.db2.gz GSHKZUSPPFUXET-GZDUMXDUSA-N -1 1 358.402 0.493 10 0 FCAEMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001294037109 1262725319 /nfs/dbraw/zinc/72/53/19/1262725319.db2.gz KTRSVHSSPAMGNU-HEHGZKQESA-N -1 1 363.414 0.417 10 0 FCAEMM O=C(C=Cc1ccc2c(c1)NC(=O)CO2)N1CCSC[C@H]1c1nn[n-]n1 ZINC001296691440 1262830791 /nfs/dbraw/zinc/83/07/91/1262830791.db2.gz WIOSVLCHNXIJLF-QQHVMHFCSA-N -1 1 372.410 0.861 10 0 FCAEMM COC(=O)NCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001297892407 1262899824 /nfs/dbraw/zinc/89/98/24/1262899824.db2.gz DHUKAHDHSHDYHG-UHFFFAOYSA-N -1 1 359.386 0.957 10 0 FCAEMM COC(=O)c1c(NC(=O)CNC(=O)c2ncccc2[O-])nc2n1CCC2 ZINC001301521946 1263009624 /nfs/dbraw/zinc/00/96/24/1263009624.db2.gz QVOCQSBRWVOPRL-UHFFFAOYSA-N -1 1 359.342 0.085 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001478328894 1263130171 /nfs/dbraw/zinc/13/01/71/1263130171.db2.gz PRMYJJCKNOZXEV-DIFFPNOSSA-N -1 1 364.402 0.392 10 0 FCAEMM CCOC(=O)C[C@@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156712 1263172699 /nfs/dbraw/zinc/17/26/99/1263172699.db2.gz KXTAFWVIGSNDPX-NSHDSACASA-N -1 1 364.402 0.882 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NCCS(=O)(=O)NC1CC1 ZINC001479417955 1263191292 /nfs/dbraw/zinc/19/12/92/1263191292.db2.gz SXOVUHCMZMAAFX-UHFFFAOYSA-N -1 1 363.386 0.594 10 0 FCAEMM O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001484502155 1263478565 /nfs/dbraw/zinc/47/85/65/1263478565.db2.gz SBJKCVCNNBHLIL-UONOGXRCSA-N -1 1 363.393 0.364 10 0 FCAEMM O=C(NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1)c1ncccc1[O-] ZINC001493533674 1263725668 /nfs/dbraw/zinc/72/56/68/1263725668.db2.gz JIRANNADMKUURP-JHJVBQTASA-N -1 1 355.398 0.939 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[C@H]1CCOC1 ZINC001320904227 1263877101 /nfs/dbraw/zinc/87/71/01/1263877101.db2.gz FYOYLXGGHGLKGA-AWEZNQCLSA-N -1 1 364.446 0.803 10 0 FCAEMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001498043528 1263961530 /nfs/dbraw/zinc/96/15/30/1263961530.db2.gz LPVGNBLXPFXWGH-NWANDNLSSA-N -1 1 359.430 0.925 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001500730163 1264085212 /nfs/dbraw/zinc/08/52/12/1264085212.db2.gz SOBGXZWSNDGKPX-RVZJWNSFSA-N -1 1 359.430 0.122 10 0 FCAEMM CN(C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001507508523 1264368791 /nfs/dbraw/zinc/36/87/91/1264368791.db2.gz CCAWUWXITSGUHL-IYOUNJFTSA-N -1 1 359.430 0.613 10 0 FCAEMM CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cn2)CC1 ZINC001326805761 1265170176 /nfs/dbraw/zinc/17/01/76/1265170176.db2.gz LSPOVKMVJYJVLN-LSDHHAIUSA-N -1 1 361.446 0.886 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3cn(C)nn3)CC2)n1 ZINC001332571455 1266432750 /nfs/dbraw/zinc/43/27/50/1266432750.db2.gz IHKNAYAZKWWVPV-UHFFFAOYSA-N -1 1 362.394 0.199 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001522349593 1266505745 /nfs/dbraw/zinc/50/57/45/1266505745.db2.gz XZBMRFBHBBTAML-SYQHCUMBSA-N -1 1 360.414 0.564 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC001333317795 1266577740 /nfs/dbraw/zinc/57/77/40/1266577740.db2.gz ZYSSJXQUAZUVRT-OWCLPIDISA-N -1 1 368.478 0.288 10 0 FCAEMM COC1CCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1 ZINC001333318009 1266578095 /nfs/dbraw/zinc/57/80/95/1266578095.db2.gz NWWPIDKIEOHFFV-UHFFFAOYSA-N -1 1 370.494 0.535 10 0 FCAEMM CCN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001528859412 1267002074 /nfs/dbraw/zinc/00/20/74/1267002074.db2.gz YXZHICGVUZKXTM-SGTLLEGYSA-N -1 1 360.414 0.674 10 0 FCAEMM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001528879830 1267003429 /nfs/dbraw/zinc/00/34/29/1267003429.db2.gz OYWOQWYMPVGBDR-NXEZZACHSA-N -1 1 360.340 0.534 10 0 FCAEMM O=C(NC/C=C/CNC(=O)[C@]12C[C@H]1COC2)c1cnc(C2CC2)[n-]c1=O ZINC001533506187 1267221159 /nfs/dbraw/zinc/22/11/59/1267221159.db2.gz QSCFDKJZXFSWHV-RHQADVSLSA-N -1 1 358.398 0.498 10 0 FCAEMM CNC(=O)C1(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCOCC1 ZINC001538083470 1267392047 /nfs/dbraw/zinc/39/20/47/1267392047.db2.gz GROYSQBACQULLI-UHFFFAOYSA-N -1 1 368.459 0.557 10 0 FCAEMM CS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)c1 ZINC001540439399 1267447720 /nfs/dbraw/zinc/44/77/20/1267447720.db2.gz UCSYIOQMUSYQOT-UHFFFAOYSA-N -1 1 374.378 0.922 10 0 FCAEMM COc1ccc(NC(=O)CCc2nn[n-]n2)cc1OCC(=O)NC1CC1 ZINC001540994289 1267473357 /nfs/dbraw/zinc/47/33/57/1267473357.db2.gz NGFACILQOWXMHE-UHFFFAOYSA-N -1 1 360.374 0.437 10 0 FCAEMM O=C(c1c[nH]cc2nc(C(F)(F)F)nc1-2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001542946492 1267515454 /nfs/dbraw/zinc/51/54/54/1267515454.db2.gz VDJRIFCIAXZXOE-QMMMGPOBSA-N -1 1 368.279 0.704 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)CN3C(=O)c4ccccc4C3=O)nc2n1 ZINC001543187983 1267530137 /nfs/dbraw/zinc/53/01/37/1267530137.db2.gz SLIXMHDEWNKIKY-UHFFFAOYSA-N -1 1 366.337 0.215 10 0 FCAEMM COc1c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cnn1C ZINC001546114590 1267635986 /nfs/dbraw/zinc/63/59/86/1267635986.db2.gz XDALWXNMWNRZCN-UHFFFAOYSA-N -1 1 366.399 0.827 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@]12CCC[C@H]1OCC2 ZINC001338562817 1267986525 /nfs/dbraw/zinc/98/65/25/1267986525.db2.gz BTYLMSJWZKWXCQ-DFHBCGBQSA-N -1 1 363.414 0.296 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082074 1268811434 /nfs/dbraw/zinc/81/14/34/1268811434.db2.gz YICXXSNPGFKWNS-UHFFFAOYSA-N -1 1 357.775 0.853 10 0 FCAEMM C[C@H](CN(C)C(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1nn[n-]n1 ZINC001556102981 1268813596 /nfs/dbraw/zinc/81/35/96/1268813596.db2.gz BPYUTHNLZCXCPF-SNVBAGLBSA-N -1 1 354.411 0.445 10 0 FCAEMM Nc1cc(C(F)(F)F)ccc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348490 1268845836 /nfs/dbraw/zinc/84/58/36/1268845836.db2.gz NHOSHKHLOJFBGP-UHFFFAOYSA-N -1 1 356.308 0.925 10 0 FCAEMM COc1ccc(COCCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001556348571 1268847356 /nfs/dbraw/zinc/84/73/56/1268847356.db2.gz QSLDZFICUNEJNF-UHFFFAOYSA-N -1 1 361.402 0.625 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC001557439260 1268947504 /nfs/dbraw/zinc/94/75/04/1268947504.db2.gz BYLLFFXINNUJIT-WDEREUQCSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)[n-]1 ZINC001557439260 1268947507 /nfs/dbraw/zinc/94/75/07/1268947507.db2.gz BYLLFFXINNUJIT-WDEREUQCSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)n1 ZINC001557439260 1268947515 /nfs/dbraw/zinc/94/75/15/1268947515.db2.gz BYLLFFXINNUJIT-WDEREUQCSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)n[n-]1 ZINC001557439257 1268947822 /nfs/dbraw/zinc/94/78/22/1268947822.db2.gz BYLLFFXINNUJIT-GHMZBOCLSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)[n-]1 ZINC001557439257 1268947830 /nfs/dbraw/zinc/94/78/30/1268947830.db2.gz BYLLFFXINNUJIT-GHMZBOCLSA-N -1 1 359.386 0.977 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)n1 ZINC001557439257 1268947835 /nfs/dbraw/zinc/94/78/35/1268947835.db2.gz BYLLFFXINNUJIT-GHMZBOCLSA-N -1 1 359.386 0.977 10 0 FCAEMM CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1nn[n-]n1 ZINC001557589422 1268955824 /nfs/dbraw/zinc/95/58/24/1268955824.db2.gz ONZXFFSOLSEPEI-NSHDSACASA-N -1 1 360.399 0.650 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)co1 ZINC001558039686 1269007427 /nfs/dbraw/zinc/00/74/27/1269007427.db2.gz QULAFUUPYQJNSJ-UHFFFAOYSA-N -1 1 361.379 0.959 10 0 FCAEMM CSC[C@H](C)C(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CCC2)CC1 ZINC001558173869 1269045258 /nfs/dbraw/zinc/04/52/58/1269045258.db2.gz XNNLLFSCCUHHLR-NSHDSACASA-N -1 1 366.491 0.933 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ncc(C(=O)OC)s2)o1 ZINC001558390184 1269081903 /nfs/dbraw/zinc/08/19/03/1269081903.db2.gz OIXQHUGWMHUUTN-UHFFFAOYSA-N -1 1 359.385 0.361 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3ncccn3)C2)co1 ZINC001558400508 1269083939 /nfs/dbraw/zinc/08/39/39/1269083939.db2.gz NWHAUWQCNUHPGC-LLVKDONJSA-N -1 1 350.400 0.998 10 0 FCAEMM CS(C)(=O)=Nc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1 ZINC001565614179 1269482447 /nfs/dbraw/zinc/48/24/47/1269482447.db2.gz CNJYSWASIOQYCH-LBPRGKRZSA-N -1 1 350.404 0.773 10 0 FCAEMM COC(=O)[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccncc1 ZINC001565634028 1269485438 /nfs/dbraw/zinc/48/54/38/1269485438.db2.gz GJXNSKKDIXVEPL-ZDUSSCGKSA-N -1 1 372.381 0.060 10 0 FCAEMM COCCN(C(=O)c1cc(C)cc(C=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001565662131 1269487798 /nfs/dbraw/zinc/48/77/98/1269487798.db2.gz WFSLYBOMHJRUEN-CYBMUJFWSA-N -1 1 355.412 0.789 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCOC[C@H]1CCO ZINC001342622851 1269540114 /nfs/dbraw/zinc/54/01/14/1269540114.db2.gz IFMSROTVOHPPQU-CQSZACIVSA-N -1 1 358.398 0.293 10 0 FCAEMM CC[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])N1CCO[C@H](CC)C1 ZINC001566778108 1269664455 /nfs/dbraw/zinc/66/44/55/1269664455.db2.gz UFCQSPKPBFRYLY-RISCZKNCSA-N -1 1 371.459 0.868 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NCCN(CC)Cc1cc(=O)n2[n-]ccc2n1 ZINC001567335019 1269689033 /nfs/dbraw/zinc/68/90/33/1269689033.db2.gz IRACKKRIFHLXET-DYVFJYSZSA-N -1 1 361.446 0.776 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)c(F)c1 ZINC001567753100 1269705149 /nfs/dbraw/zinc/70/51/49/1269705149.db2.gz GJSZCDRCWQHIPT-AWEZNQCLSA-N -1 1 351.338 0.701 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001568773590 1269748251 /nfs/dbraw/zinc/74/82/51/1269748251.db2.gz BJCWQKMSJFVQHS-MRXNPFEDSA-N -1 1 359.426 0.938 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 ZINC001570238689 1269854936 /nfs/dbraw/zinc/85/49/36/1269854936.db2.gz AUPHNYZSEZWTCA-UHFFFAOYSA-N -1 1 369.443 0.514 10 0 FCAEMM CC(C)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001343753674 1270000647 /nfs/dbraw/zinc/00/06/47/1270000647.db2.gz HHRZBXRXCGSIFH-GDLCADMTSA-N -1 1 362.430 0.653 10 0 FCAEMM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)n1cncn1 ZINC001573820966 1270894390 /nfs/dbraw/zinc/89/43/90/1270894390.db2.gz YEAVZUYGICJLHT-FRRDWIJNSA-N -1 1 358.402 0.464 10 0 FCAEMM CC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001574306109 1271183011 /nfs/dbraw/zinc/18/30/11/1271183011.db2.gz XAVURYJZEBUVJY-CRWXNKLISA-N -1 1 362.430 0.221 10 0 FCAEMM CC[C@H](C)C(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001574438771 1271277112 /nfs/dbraw/zinc/27/71/12/1271277112.db2.gz PNONKTUBDPQFEB-DGAVXFQQSA-N -1 1 374.441 0.811 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cc(C)c(C(N)=O)cn2)[n-]c1=O ZINC001603346810 1287359834 /nfs/dbraw/zinc/35/98/34/1287359834.db2.gz WJAYDJLYFLWECM-LBPRGKRZSA-N -1 1 357.370 0.970 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc[n+]([O-])c1 ZINC001584133866 1282136589 /nfs/dbraw/zinc/13/65/89/1282136589.db2.gz MWJJNYOOHBKCKZ-UHFFFAOYSA-N -1 1 359.386 0.532 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)C[C@@H]2CCOC[C@H]2OCC)n[n-]1 ZINC001632567075 1282187053 /nfs/dbraw/zinc/18/70/53/1282187053.db2.gz BAAINOMCSLIBQX-SDDRHHMPSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)C[C@@H]2CCOC[C@H]2OCC)[n-]1 ZINC001632567075 1282187056 /nfs/dbraw/zinc/18/70/56/1282187056.db2.gz BAAINOMCSLIBQX-SDDRHHMPSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C[C@@H]2CCOC[C@H]2OCC)n1 ZINC001632567075 1282187064 /nfs/dbraw/zinc/18/70/64/1282187064.db2.gz BAAINOMCSLIBQX-SDDRHHMPSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)n[n-]1 ZINC001632563562 1282187658 /nfs/dbraw/zinc/18/76/58/1282187658.db2.gz YMPNSTYOBIPSLR-JTQLQIEISA-N -1 1 363.374 0.281 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)[n-]1 ZINC001632563562 1282187662 /nfs/dbraw/zinc/18/76/62/1282187662.db2.gz YMPNSTYOBIPSLR-JTQLQIEISA-N -1 1 363.374 0.281 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(=O)n(CCOC)c2)n1 ZINC001632563562 1282187667 /nfs/dbraw/zinc/18/76/67/1282187667.db2.gz YMPNSTYOBIPSLR-JTQLQIEISA-N -1 1 363.374 0.281 10 0 FCAEMM O=C([C@H]1CCN(Cc2ccccc2)C1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183583 1282209281 /nfs/dbraw/zinc/20/92/81/1282209281.db2.gz PECZOAVGCAMDMJ-UONOGXRCSA-N -1 1 356.386 0.148 10 0 FCAEMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001633469942 1282245903 /nfs/dbraw/zinc/24/59/03/1282245903.db2.gz SCFYYDPRRQLBNO-JTQLQIEISA-N -1 1 355.445 0.172 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1nnc2ccc(Cl)cn21 ZINC001633502558 1282249154 /nfs/dbraw/zinc/24/91/54/1282249154.db2.gz XTBWSSANBQUEFG-UHFFFAOYSA-N -1 1 350.722 0.523 10 0 FCAEMM O=C(CCNS(=O)(=O)c1ccccc1F)NC1(c2nn[n-]n2)CCC1 ZINC001633586338 1282256553 /nfs/dbraw/zinc/25/65/53/1282256553.db2.gz CAEXDTCZDXRRAM-UHFFFAOYSA-N -1 1 368.394 0.203 10 0 FCAEMM CC(C)(C)OC(=O)CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001633621807 1282260351 /nfs/dbraw/zinc/26/03/51/1282260351.db2.gz WWPAKWSGTRHJMU-UHFFFAOYSA-N -1 1 352.391 0.786 10 0 FCAEMM O=C(Nn1ccc(=O)[nH]c1=O)c1cc(I)ccc1[O-] ZINC001586191481 1282280415 /nfs/dbraw/zinc/28/04/15/1282280415.db2.gz ZVDVGXMYONJXCT-UHFFFAOYSA-N -1 1 373.106 0.643 10 0 FCAEMM CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)c2ccc([O-])cn2)CC1 ZINC001633890189 1282281216 /nfs/dbraw/zinc/28/12/16/1282281216.db2.gz OCWJKTCCXNMGFE-UHFFFAOYSA-N -1 1 363.386 0.919 10 0 FCAEMM CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895770 1282281734 /nfs/dbraw/zinc/28/17/34/1282281734.db2.gz QHEAWAYFWQJAMS-NSHDSACASA-N -1 1 353.423 0.624 10 0 FCAEMM COC[C@@H](NC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1)c1nn[n-]n1 ZINC001634621751 1282339278 /nfs/dbraw/zinc/33/92/78/1282339278.db2.gz JGPVUWHUOUIVHV-LLVKDONJSA-N -1 1 374.430 0.889 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3nnn(C)c3C(F)(F)F)nc2n1 ZINC001587193147 1282340601 /nfs/dbraw/zinc/34/06/01/1282340601.db2.gz XHQJJYDMUAIVSW-UHFFFAOYSA-N -1 1 370.295 0.770 10 0 FCAEMM CN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1nn[n-]n1 ZINC001587339700 1282349135 /nfs/dbraw/zinc/34/91/35/1282349135.db2.gz OIZDUWXWMFDBKO-UHFFFAOYSA-N -1 1 355.141 0.766 10 0 FCAEMM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001635007402 1282372479 /nfs/dbraw/zinc/37/24/79/1282372479.db2.gz GCWRVFHSBJVQIA-AWEZNQCLSA-N -1 1 370.413 0.453 10 0 FCAEMM COC(=O)C=Cc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001588031953 1282399232 /nfs/dbraw/zinc/39/92/32/1282399232.db2.gz BGQFJWKQKMLIQR-HYXAFXHYSA-N -1 1 359.338 0.964 10 0 FCAEMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)n[n-]1 ZINC001635381489 1282400754 /nfs/dbraw/zinc/40/07/54/1282400754.db2.gz WMSRNPWCLPKRAE-JTQLQIEISA-N -1 1 358.420 0.229 10 0 FCAEMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)[n-]1 ZINC001635381489 1282400758 /nfs/dbraw/zinc/40/07/58/1282400758.db2.gz WMSRNPWCLPKRAE-JTQLQIEISA-N -1 1 358.420 0.229 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2CS(=O)(=O)C2)n1 ZINC001635381489 1282400762 /nfs/dbraw/zinc/40/07/62/1282400762.db2.gz WMSRNPWCLPKRAE-JTQLQIEISA-N -1 1 358.420 0.229 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001588238065 1282411007 /nfs/dbraw/zinc/41/10/07/1282411007.db2.gz WNVMWTMIFVCIEH-UHFFFAOYSA-N -1 1 351.388 0.553 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC12CC(O)C2 ZINC001635898145 1282440835 /nfs/dbraw/zinc/44/08/35/1282440835.db2.gz DRBRLPRCKSEITD-HZEYSBKDSA-N -1 1 362.430 0.289 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001636322848 1282486285 /nfs/dbraw/zinc/48/62/85/1282486285.db2.gz ZQMHHLVTCKVVFY-LLVKDONJSA-N -1 1 372.381 0.513 10 0 FCAEMM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001637110326 1282563185 /nfs/dbraw/zinc/56/31/85/1282563185.db2.gz CNAWGOXWKRBFDP-VHSXEESVSA-N -1 1 356.400 0.958 10 0 FCAEMM COc1nccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])n1 ZINC001637135528 1282567588 /nfs/dbraw/zinc/56/75/88/1282567588.db2.gz XUXHXNZESJPQEK-UHFFFAOYSA-N -1 1 364.383 0.884 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(C(=O)OC)CCC[C@@H]23)co1 ZINC001637542883 1282603569 /nfs/dbraw/zinc/60/35/69/1282603569.db2.gz HXTHBIPFLPJSRU-ABAIWWIYSA-N -1 1 356.400 0.746 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC001638489854 1282701206 /nfs/dbraw/zinc/70/12/06/1282701206.db2.gz PBPBQEDLRZYQQC-NSHDSACASA-N -1 1 368.235 0.862 10 0 FCAEMM NS(=O)(=O)C1CCN(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001638646434 1282711535 /nfs/dbraw/zinc/71/15/35/1282711535.db2.gz RZCZHPOYLVOPBP-UHFFFAOYSA-N -1 1 363.386 0.675 10 0 FCAEMM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001639202071 1282757918 /nfs/dbraw/zinc/75/79/18/1282757918.db2.gz GEVQSBIYKJMDHU-CQSZACIVSA-N -1 1 371.384 0.735 10 0 FCAEMM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC001639228217 1282761572 /nfs/dbraw/zinc/76/15/72/1282761572.db2.gz MFBRQJZEJMFZOQ-JOYOIKCWSA-N -1 1 362.379 0.551 10 0 FCAEMM Cc1cn2cc(CC(=O)NCc3nc(CS(C)(=O)=O)n[n-]3)nc2s1 ZINC001639376733 1282778912 /nfs/dbraw/zinc/77/89/12/1282778912.db2.gz FXJKDBGTVJKEIX-UHFFFAOYSA-N -1 1 368.444 0.226 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C[C@@H]1c1ccccc1 ZINC001639431718 1282787340 /nfs/dbraw/zinc/78/73/40/1282787340.db2.gz BRSVFGRARKVWPH-FZKQIMNGSA-N -1 1 371.397 0.357 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cccn3c(=O)[nH]nc23)[n-]c1=O ZINC001640132565 1282841703 /nfs/dbraw/zinc/84/17/03/1282841703.db2.gz RCTFVINWCNWDTJ-JTQLQIEISA-N -1 1 356.342 0.916 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)c2cnc3c(c2)NC(=O)CO3)[n-]c1=O ZINC001640133394 1282842648 /nfs/dbraw/zinc/84/26/48/1282842648.db2.gz XNPJXHRZPAHOKZ-NSHDSACASA-N -1 1 371.353 0.894 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001641214613 1282932743 /nfs/dbraw/zinc/93/27/43/1282932743.db2.gz SUSZENWAFGZVIC-JTQLQIEISA-N -1 1 364.383 0.880 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001641214613 1282932758 /nfs/dbraw/zinc/93/27/58/1282932758.db2.gz SUSZENWAFGZVIC-JTQLQIEISA-N -1 1 364.383 0.880 10 0 FCAEMM Cn1cc([C@@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])CC2(C)C)cn1 ZINC001641463486 1282954680 /nfs/dbraw/zinc/95/46/80/1282954680.db2.gz IXOKIYALSNIFKP-ZDUSSCGKSA-N -1 1 357.414 0.903 10 0 FCAEMM COc1ccc([C@H](CC(=O)N2CCOC[C@H]2c2nn[n-]n2)NC(C)=O)cc1 ZINC001642263555 1282996088 /nfs/dbraw/zinc/99/60/88/1282996088.db2.gz HGSHSRNAZWALGH-GJZGRUSLSA-N -1 1 374.401 0.376 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001642982424 1283051287 /nfs/dbraw/zinc/05/12/87/1283051287.db2.gz HNPAPWGOOIETAN-CQSZACIVSA-N -1 1 367.409 0.923 10 0 FCAEMM C[C@@H]1OCC[C@@]12CN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)CCO2 ZINC001683595021 1284053639 /nfs/dbraw/zinc/05/36/39/1284053639.db2.gz SQUBYAQRMRKILV-APPDUMDISA-N -1 1 364.402 0.344 10 0 FCAEMM CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001702388226 1285615850 /nfs/dbraw/zinc/61/58/50/1285615850.db2.gz LCCJFGLPLVZJJM-KWCYVHTRSA-N -1 1 351.403 0.150 10 0 FCAEMM CNC(=O)NCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001702528215 1285701661 /nfs/dbraw/zinc/70/16/61/1285701661.db2.gz LYNZJSYGZSOURD-NWDGAFQWSA-N -1 1 363.418 0.121 10 0 FCAEMM CCN(CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC001702689048 1285787269 /nfs/dbraw/zinc/78/72/69/1285787269.db2.gz DWHAPEHTJKYLNI-AGIUHOORSA-N -1 1 369.441 0.823 10 0 FCAEMM CCCCC(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001702712827 1285811644 /nfs/dbraw/zinc/81/16/44/1285811644.db2.gz QTTXJPWHEDIOSV-ZJUUUORDSA-N -1 1 352.391 0.806 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001702909753 1285985906 /nfs/dbraw/zinc/98/59/06/1285985906.db2.gz RVDSUOLMERYRLI-WMJQKJSVSA-N -1 1 370.413 0.636 10 0 FCAEMM Cn1ccnc1[C@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001596942705 1286321840 /nfs/dbraw/zinc/32/18/40/1286321840.db2.gz YXPBYSFPWCFXLP-MRXNPFEDSA-N -1 1 373.413 0.223 10 0 FCAEMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)O1 ZINC001597713421 1286358514 /nfs/dbraw/zinc/35/85/14/1286358514.db2.gz PJBFUOPXLNTFPE-MCIONIFRSA-N -1 1 367.450 0.570 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2ncccc2[O-])C1 ZINC001705469238 1286400331 /nfs/dbraw/zinc/40/03/31/1286400331.db2.gz OYPQVFHWBKOHHC-UVBSCNOISA-N -1 1 363.414 0.296 10 0 FCAEMM O=C(CNC(=O)C1CC1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001736095180 1289140547 /nfs/dbraw/zinc/14/05/47/1289140547.db2.gz HOXWSHVDFQKUCV-WCQYABFASA-N -1 1 360.414 0.328 10 0 FCAEMM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C3)CCC1 ZINC001719914440 1288202364 /nfs/dbraw/zinc/20/23/64/1288202364.db2.gz UFYYBIJDABQNFA-MCIONIFRSA-N -1 1 374.441 0.365 10 0 FCAEMM O=C(NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1)[C@@H]1CCO[C@H]1C1CC1 ZINC001733252744 1288605066 /nfs/dbraw/zinc/60/50/66/1288605066.db2.gz UPDXHGPUHHZTSS-PBHICJAKSA-N -1 1 371.441 0.576 10 0 FCAEMM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ncccc1[O-] ZINC001735257179 1288710903 /nfs/dbraw/zinc/71/09/03/1288710903.db2.gz LVJUSMCFXQUQHW-FRRDWIJNSA-N -1 1 361.423 0.859 10 0 FCAEMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1C ZINC001735844049 1288947814 /nfs/dbraw/zinc/94/78/14/1288947814.db2.gz GISHDEBGWSJKMH-CQDYAAEXSA-N -1 1 370.413 0.517 10 0 FCAEMM CO[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001735875740 1288975429 /nfs/dbraw/zinc/97/54/29/1288975429.db2.gz ANXIULFNJUXWLO-UKRRQHHQSA-N -1 1 365.430 0.806 10 0 FCAEMM CCOCC(=O)N1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1CC ZINC001736202866 1289198207 /nfs/dbraw/zinc/19/82/07/1289198207.db2.gz CICLIAXYXRPLFF-VHSXEESVSA-N -1 1 368.390 0.042 10 0 FCAEMM CC[C@@H](C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC001736374752 1289293005 /nfs/dbraw/zinc/29/30/05/1289293005.db2.gz IMOPADNNLXTCNJ-MGPQQGTHSA-N -1 1 364.446 0.184 10 0 FCAEMM O=C(CNC(=O)C1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001736533460 1289419878 /nfs/dbraw/zinc/41/98/78/1289419878.db2.gz UJKLWRHWHFIDNX-UPJWGTAASA-N -1 1 358.398 0.175 10 0 FCAEMM CCOCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001736540225 1289425443 /nfs/dbraw/zinc/42/54/43/1289425443.db2.gz KJDGJMDPDQSHST-MCIONIFRSA-N -1 1 363.414 0.702 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001700731072 1289606696 /nfs/dbraw/zinc/60/66/96/1289606696.db2.gz QEEQMKRMKLCHFT-BFHYXJOUSA-N -1 1 359.434 0.374 10 0 FCAEMM O=C(Cc1c[nH]cn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001610890682 1289618619 /nfs/dbraw/zinc/61/86/19/1289618619.db2.gz LETQGZMXCOCJRK-UHFFFAOYSA-N -1 1 366.399 0.317 10 0 FCAEMM CCOC(=O)[C@H](COC)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC001611645135 1289664108 /nfs/dbraw/zinc/66/41/08/1289664108.db2.gz IUECUOLVWKUJIY-ZDUSSCGKSA-N -1 1 364.402 0.679 10 0 FCAEMM COCCOCCc1nc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c[nH]1 ZINC001616946216 1289803564 /nfs/dbraw/zinc/80/35/64/1289803564.db2.gz OLQBQTBRXQUMSJ-LLVKDONJSA-N -1 1 367.435 0.059 10 0 FCAEMM O=C(C(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1c[nH]c2cc(F)ccc12 ZINC001617703962 1289860175 /nfs/dbraw/zinc/86/01/75/1289860175.db2.gz ZSSZPNOIZPLTJN-UHFFFAOYSA-N -1 1 358.333 0.513 10 0 FCAEMM CC/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001739421566 1289951966 /nfs/dbraw/zinc/95/19/66/1289951966.db2.gz MQZBYGMJIMUZLU-WADSTATCSA-N -1 1 360.414 0.717 10 0 FCAEMM CCC[C@@H](NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001621661507 1290048791 /nfs/dbraw/zinc/04/87/91/1290048791.db2.gz UFGNFNXBDGFHMP-SNVBAGLBSA-N -1 1 354.411 0.529 10 0 FCAEMM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nn[n-]n2)C1=O ZINC001623399913 1290217553 /nfs/dbraw/zinc/21/75/53/1290217553.db2.gz FWYFWBGMEXEFGT-INIZCTEOSA-N -1 1 357.374 0.107 10 0 FCAEMM C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nn[n-]n2)C1=O ZINC001623399914 1290217581 /nfs/dbraw/zinc/21/75/81/1290217581.db2.gz FWYFWBGMEXEFGT-MRXNPFEDSA-N -1 1 357.374 0.107 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC001623739703 1290235148 /nfs/dbraw/zinc/23/51/48/1290235148.db2.gz YHPCGMBJJNUIRI-UHFFFAOYSA-N -1 1 369.424 0.798 10 0 FCAEMM C[C@@H]1CO[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC001624543699 1290278803 /nfs/dbraw/zinc/27/88/03/1290278803.db2.gz YFBHKLFMUMRAOA-NHYWBVRUSA-N -1 1 370.427 0.777 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624780899 1290295965 /nfs/dbraw/zinc/29/59/65/1290295965.db2.gz MZGWBMFDOCDESK-PWSUYJOCSA-N -1 1 371.756 0.512 10 0 FCAEMM COCC(=O)N1CCc2c1cccc2NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001624829003 1290299703 /nfs/dbraw/zinc/29/97/03/1290299703.db2.gz ZSYYHVGTHKCGKL-UHFFFAOYSA-N -1 1 372.381 0.101 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1nc(-c2ccccc2)no1 ZINC001624881268 1290303002 /nfs/dbraw/zinc/30/30/02/1290303002.db2.gz KGNUJZRTOBASJE-UHFFFAOYSA-N -1 1 353.338 0.883 10 0 FCAEMM Cc1cnc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC001625179844 1290324373 /nfs/dbraw/zinc/32/43/73/1290324373.db2.gz DDJWEUCTOYZXIP-UHFFFAOYSA-N -1 1 350.375 0.300 10 0 FCAEMM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2C1 ZINC001626046508 1290369654 /nfs/dbraw/zinc/36/96/54/1290369654.db2.gz BWMOHTXMIUGNGA-LLVKDONJSA-N -1 1 372.429 0.939 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC001626328633 1290389781 /nfs/dbraw/zinc/38/97/81/1290389781.db2.gz QOUQXUBCDIVVKC-WFASDCNBSA-N -1 1 358.398 0.291 10 0 FCAEMM CCC(CC)(NC(=O)CN1CCCC2(CC2)S1(=O)=O)c1nn[n-]n1 ZINC001626908753 1290425752 /nfs/dbraw/zinc/42/57/52/1290425752.db2.gz PIKGBBXEBAWIJV-UHFFFAOYSA-N -1 1 356.452 0.289 10 0 FCAEMM CSc1nc(CNC(=O)CCN2C(=O)C(C)=C(C)C2=O)cc(=O)[n-]1 ZINC001627727846 1290481281 /nfs/dbraw/zinc/48/12/81/1290481281.db2.gz NMUHFAYTMWGUQL-UHFFFAOYSA-N -1 1 350.400 0.616 10 0 FCAEMM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001643161235 1290854207 /nfs/dbraw/zinc/85/42/07/1290854207.db2.gz ZBRJKEAHTNLQIQ-UHFFFAOYSA-N -1 1 354.411 0.011 10 0 FCAEMM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001643192992 1290859143 /nfs/dbraw/zinc/85/91/43/1290859143.db2.gz XDIPMRIHKDWTRG-OLZOCXBDSA-N -1 1 360.349 0.292 10 0 FCAEMM Cn1ccn2c(CNC(=O)c3c([O-])cnc4c(F)cccc43)nnc2c1=O ZINC001643769161 1290913739 /nfs/dbraw/zinc/91/37/39/1290913739.db2.gz BPIQBIUEKUXBBS-UHFFFAOYSA-N -1 1 368.328 0.751 10 0 FCAEMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC001643899433 1290924237 /nfs/dbraw/zinc/92/42/37/1290924237.db2.gz OWAYDPYQOJSWRQ-ZDUSSCGKSA-N -1 1 368.434 0.873 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2c(c1)nc[nH]c2=O ZINC001644156628 1290944833 /nfs/dbraw/zinc/94/48/33/1290944833.db2.gz KOADRBMFUWZTFP-UHFFFAOYSA-N -1 1 353.338 0.834 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCC2)cc1OC ZINC001644748295 1290980779 /nfs/dbraw/zinc/98/07/79/1290980779.db2.gz BOJGKHWNXNLBGQ-UHFFFAOYSA-N -1 1 360.374 0.142 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc3c2OCCO3)co1 ZINC001645256890 1291013132 /nfs/dbraw/zinc/01/31/32/1291013132.db2.gz PYXUCZYXAWOOLC-UHFFFAOYSA-N -1 1 366.395 0.931 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CS(=O)(=O)C2CCCC2)[n-]c1=O ZINC001646340705 1291063415 /nfs/dbraw/zinc/06/34/15/1291063415.db2.gz VIUBMPWWVZOJOQ-UHFFFAOYSA-N -1 1 357.432 0.900 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CC(=O)NCC(F)(F)F)[n-]c1=O ZINC001646345278 1291064105 /nfs/dbraw/zinc/06/41/05/1291064105.db2.gz GKJVBDDFGKGYKB-UHFFFAOYSA-N -1 1 350.297 0.611 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)n[n-]1 ZINC001648716775 1291137929 /nfs/dbraw/zinc/13/79/29/1291137929.db2.gz FLYSKJJOTGHHKF-WDEREUQCSA-N -1 1 368.390 0.298 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)n1 ZINC001648716775 1291137936 /nfs/dbraw/zinc/13/79/36/1291137936.db2.gz FLYSKJJOTGHHKF-WDEREUQCSA-N -1 1 368.390 0.298 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689092 1291233332 /nfs/dbraw/zinc/23/33/32/1291233332.db2.gz VTOJRYXPLMWASE-LBPRGKRZSA-N -1 1 359.390 0.814 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689092 1291233339 /nfs/dbraw/zinc/23/33/39/1291233339.db2.gz VTOJRYXPLMWASE-LBPRGKRZSA-N -1 1 359.390 0.814 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001651689092 1291233346 /nfs/dbraw/zinc/23/33/46/1291233346.db2.gz VTOJRYXPLMWASE-LBPRGKRZSA-N -1 1 359.390 0.814 10 0 FCAEMM COC[C@H](NC(=O)c1cc(N2CCOC2=O)ccc1F)c1nn[n-]n1 ZINC001651846942 1291243288 /nfs/dbraw/zinc/24/32/88/1291243288.db2.gz RHXMENMGDNZEAI-NSHDSACASA-N -1 1 350.310 0.413 10 0 FCAEMM CCC1(Cn2cc(C(=O)N3CCC[C@H](Cc4nn[n-]n4)C3)nn2)COC1 ZINC001651875446 1291247177 /nfs/dbraw/zinc/24/71/77/1291247177.db2.gz YNOOWWCXPGVARG-GFCCVEGCSA-N -1 1 360.422 0.313 10 0 FCAEMM O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001651875072 1291247960 /nfs/dbraw/zinc/24/79/60/1291247960.db2.gz UHSGKMLPRYRLOH-AWEZNQCLSA-N -1 1 352.402 0.934 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CNC(=O)Cc2ccccc2)[n-]c1=O ZINC001652474015 1291280092 /nfs/dbraw/zinc/28/00/92/1291280092.db2.gz RSSFZHSYVJLPPB-UHFFFAOYSA-N -1 1 358.398 0.901 10 0 FCAEMM CCCC(=O)N1CCC[C@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652612912 1291286920 /nfs/dbraw/zinc/28/69/20/1291286920.db2.gz DSMVESRIFHOTCH-LBPRGKRZSA-N -1 1 350.419 0.988 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCCc1nc2c(s1)COCC2 ZINC001652852803 1291306299 /nfs/dbraw/zinc/30/62/99/1291306299.db2.gz DXSMTBXJHMNGLF-UHFFFAOYSA-N -1 1 362.411 0.405 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001653500847 1291349230 /nfs/dbraw/zinc/34/92/30/1291349230.db2.gz WPRSPPZCPUBEHN-UHFFFAOYSA-N -1 1 374.328 0.366 10 0 FCAEMM COC(=O)[C@H]1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C[C@H]1C(=O)OC ZINC001653675630 1291362553 /nfs/dbraw/zinc/36/25/53/1291362553.db2.gz KBLFRLSFNZOXSC-DTORHVGOSA-N -1 1 369.399 0.247 10 0 FCAEMM CCC[C@]1(CO)CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456872 1292177330 /nfs/dbraw/zinc/17/73/30/1292177330.db2.gz STBPIGHPQKUPLK-KRWDZBQOSA-N -1 1 350.419 0.949 10 0 FCAEMM O=C([N-]CC1CN(C(=O)N[C@@H]2CCC3(C2)OCCO3)C1)C(F)(F)F ZINC001679546354 1292306771 /nfs/dbraw/zinc/30/67/71/1292306771.db2.gz DJRPVSUAXJDRNS-SNVBAGLBSA-N -1 1 351.325 0.602 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](O)c1ccsc1 ZINC001684758019 1292329236 /nfs/dbraw/zinc/32/92/36/1292329236.db2.gz VDAUMVZBWBDWKI-GFCCVEGCSA-N -1 1 350.400 0.849 10 0 FCAEMM Cn1nccc1[C@@H]1COCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684869621 1292346230 /nfs/dbraw/zinc/34/62/30/1292346230.db2.gz QRJBUTRQTYYCPK-AWEZNQCLSA-N -1 1 374.401 0.272 10 0 FCAEMM Cn1ccn2c(CNC(=O)NCc3ccc([O-])c(Cl)c3)nnc2c1=O ZINC001684955913 1292382400 /nfs/dbraw/zinc/38/24/00/1292382400.db2.gz SLWFKRHAAKAZHD-UHFFFAOYSA-N -1 1 362.777 0.786 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1ccnn1C ZINC001685684628 1292594563 /nfs/dbraw/zinc/59/45/63/1292594563.db2.gz QHOAIEGXLNVHMU-ZIAGYGMSSA-N -1 1 371.441 0.978 10 0 FCAEMM C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)cc21 ZINC000327340656 836039107 /nfs/dbraw/zinc/03/91/07/836039107.db2.gz DVYLXVICGCCZLV-LLVKDONJSA-N -1 1 367.427 0.523 10 0 FCAEMM CC(=O)N1CCC(NC(=O)COC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000749280320 836353249 /nfs/dbraw/zinc/35/32/49/836353249.db2.gz QQQDQGJTNYJFQF-UHFFFAOYSA-N -1 1 356.325 0.954 10 0 FCAEMM O=C(NCCS(=O)(=O)C(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000828172254 836537270 /nfs/dbraw/zinc/53/72/70/836537270.db2.gz VVABSVOBSLSVNW-UHFFFAOYSA-N -1 1 354.335 0.682 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCCSCC2)C1 ZINC001118941161 847644746 /nfs/dbraw/zinc/64/47/46/847644746.db2.gz YJDZUTKTSJNMST-ZDUSSCGKSA-N -1 1 367.393 0.621 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC2)CCOC1 ZINC001119645422 847921028 /nfs/dbraw/zinc/92/10/28/847921028.db2.gz RIZZMKRNTRPHFX-CYBMUJFWSA-N -1 1 362.308 0.430 10 0 FCAEMM Cn1nnc(C[N-]S(=O)(=O)Cc2cccc(F)c2Br)n1 ZINC001119672474 847931428 /nfs/dbraw/zinc/93/14/28/847931428.db2.gz USTHPRFXYROIFG-UHFFFAOYSA-N -1 1 364.200 0.731 10 0 FCAEMM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001123905526 848652696 /nfs/dbraw/zinc/65/26/96/848652696.db2.gz NZJXBYBAGNDSNO-GFCCVEGCSA-N -1 1 364.349 0.920 10 0 FCAEMM Cn1nccc1C1(O)CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001123983426 848663364 /nfs/dbraw/zinc/66/33/64/848663364.db2.gz OGHNSJBSLVHXNV-UHFFFAOYSA-N -1 1 358.427 0.875 10 0 FCAEMM COCCNC(=O)C1(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC001129644789 848874556 /nfs/dbraw/zinc/87/45/56/848874556.db2.gz GZVWWXUBFYXZFY-UHFFFAOYSA-N -1 1 368.459 0.557 10 0 FCAEMM CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nn[n-]n1 ZINC001131169494 849084696 /nfs/dbraw/zinc/08/46/96/849084696.db2.gz IBXNYJOYIGBGMS-JTQLQIEISA-N -1 1 363.765 0.721 10 0 FCAEMM C[C@@]1(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])CCNC1=O ZINC001137782911 849283724 /nfs/dbraw/zinc/28/37/24/849283724.db2.gz XAUFCBGHEHFTJE-OAHLLOKOSA-N -1 1 353.400 0.298 10 0 FCAEMM COC(=O)NCCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001137782927 849283765 /nfs/dbraw/zinc/28/37/65/849283765.db2.gz YNCVXBIWCJTGCW-UHFFFAOYSA-N -1 1 357.388 0.518 10 0 FCAEMM CCO[C@H]1COCC[C@H]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001137774661 849284379 /nfs/dbraw/zinc/28/43/79/849284379.db2.gz DWHFERAOBDXJON-HZMBPMFUSA-N -1 1 358.416 0.810 10 0 FCAEMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCSC[C@@H]2c2nn[n-]n2)O1 ZINC001138438530 849311031 /nfs/dbraw/zinc/31/10/31/849311031.db2.gz WCJQMEVLYFYHJI-HBNTYKKESA-N -1 1 355.420 0.317 10 0 FCAEMM Cc1oc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1S(C)(=O)=O ZINC001138438487 849311457 /nfs/dbraw/zinc/31/14/57/849311457.db2.gz UTNLFHXSYCVAOA-QMMMGPOBSA-N -1 1 357.417 0.435 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccoc2CC(=O)OC)n[n-]1 ZINC001146863914 849568513 /nfs/dbraw/zinc/56/85/13/849568513.db2.gz DDNHDLOOQIFKFS-MRVPVSSYSA-N -1 1 350.331 0.781 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccoc2CC(=O)OC)[n-]1 ZINC001146863914 849568522 /nfs/dbraw/zinc/56/85/22/849568522.db2.gz DDNHDLOOQIFKFS-MRVPVSSYSA-N -1 1 350.331 0.781 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccoc2CC(=O)OC)n1 ZINC001146863914 849568529 /nfs/dbraw/zinc/56/85/29/849568529.db2.gz DDNHDLOOQIFKFS-MRVPVSSYSA-N -1 1 350.331 0.781 10 0 FCAEMM CN(C(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001149220341 849632810 /nfs/dbraw/zinc/63/28/10/849632810.db2.gz WLXCMOOAOKKANY-VWLOTQADSA-N -1 1 372.451 0.311 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c(=O)[n-]1 ZINC001167640440 850549873 /nfs/dbraw/zinc/54/98/73/850549873.db2.gz UXTVDOVFEXJEBF-UHFFFAOYSA-N -1 1 361.427 0.841 10 0 FCAEMM CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001176724723 850799992 /nfs/dbraw/zinc/79/99/92/850799992.db2.gz IGJHCXSBHPRTDR-UHFFFAOYSA-N -1 1 368.394 0.446 10 0 FCAEMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001176726060 850800066 /nfs/dbraw/zinc/80/00/66/850800066.db2.gz OKGPQRIIDNHNJR-VIFPVBQESA-N -1 1 353.379 0.697 10 0 FCAEMM COC[C@H](NC(=O)c1snc(OC)c1Br)c1nn[n-]n1 ZINC001177829477 850871041 /nfs/dbraw/zinc/87/10/41/850871041.db2.gz YVFXEXADWOIJOC-BYPYZUCNSA-N -1 1 363.197 0.545 10 0 FCAEMM CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](COC)c2nn[n-]n2)cc1 ZINC001177827598 850871175 /nfs/dbraw/zinc/87/11/75/850871175.db2.gz HLJQUEPBWIWURP-ZDUSSCGKSA-N -1 1 367.431 0.430 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)COCC(=O)OC(C)(C)C)[n-]c1=O ZINC001178686328 850917232 /nfs/dbraw/zinc/91/72/32/850917232.db2.gz AZQOPFWBWJQLCG-UHFFFAOYSA-N -1 1 355.391 0.900 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[n-]c1=O ZINC001178686520 850917323 /nfs/dbraw/zinc/91/73/23/850917323.db2.gz FZGZIPQCFFMDKR-BDAKNGLRSA-N -1 1 365.308 0.888 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@@H]2C=CS(=O)(=O)C2)[n-]c1=O ZINC001180058659 851011840 /nfs/dbraw/zinc/01/18/40/851011840.db2.gz AOJPMKBDFWISCD-WDEREUQCSA-N -1 1 353.400 0.803 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)o1 ZINC001181233239 851096648 /nfs/dbraw/zinc/09/66/48/851096648.db2.gz VSIVOFXVTMAZEL-NWDGAFQWSA-N -1 1 374.459 0.419 10 0 FCAEMM CSC[C@H](C(=O)N(C)c1nn[n-]n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001279181417 862712013 /nfs/dbraw/zinc/71/20/13/862712013.db2.gz TWBNVGXQXBGDBW-OPRDCNLKSA-N -1 1 352.420 0.069 10 0 FCAEMM CN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)c1nn[n-]n1 ZINC001279188467 862717070 /nfs/dbraw/zinc/71/70/70/862717070.db2.gz VZDCGYNYMGKMKP-VIFPVBQESA-N -1 1 352.148 0.707 10 0 FCAEMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001248410932 857625898 /nfs/dbraw/zinc/62/58/98/857625898.db2.gz JGAGNBQOACLVIB-JTQLQIEISA-N -1 1 360.823 0.089 10 0 FCAEMM C[C@@H](CO)C1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001254497283 857974603 /nfs/dbraw/zinc/97/46/03/857974603.db2.gz SKVSKUHXWIGSOE-NSHDSACASA-N -1 1 350.419 0.805 10 0 FCAEMM O=C(NCCOC1CCOCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254496846 857974788 /nfs/dbraw/zinc/97/47/88/857974788.db2.gz MXNSEYWWHUGZPA-UHFFFAOYSA-N -1 1 352.391 0.250 10 0 FCAEMM CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001261779517 858663750 /nfs/dbraw/zinc/66/37/50/858663750.db2.gz OUQNZKXUXRORCD-NSHDSACASA-N -1 1 369.447 0.906 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H](C)C(F)(F)F ZINC001281849468 863821298 /nfs/dbraw/zinc/82/12/98/863821298.db2.gz PCWGWUJSTBYVOU-FXPVBKGRSA-N -1 1 361.320 0.941 10 0 FCAEMM CC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001282325133 864187868 /nfs/dbraw/zinc/18/78/68/864187868.db2.gz TUVXHBOJFQGFLX-UPJWGTAASA-N -1 1 350.419 0.078 10 0 FCAEMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001290608264 865458974 /nfs/dbraw/zinc/45/89/74/865458974.db2.gz CXXMHKMQXBFCKV-TUAOUCFPSA-N -1 1 369.443 0.187 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001290637697 865470638 /nfs/dbraw/zinc/47/06/38/865470638.db2.gz WRRDURGARRVTOE-NSHDSACASA-N -1 1 360.388 0.319 10 0 FCAEMM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)CCc1nn[n-]n1)C2 ZINC001291971249 865661509 /nfs/dbraw/zinc/66/15/09/865661509.db2.gz CCLCCCWWYRGNSP-UHFFFAOYSA-N -1 1 350.404 0.089 10 0 FCAEMM CC[C@@H](O)Cn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nn1 ZINC001295601838 865909837 /nfs/dbraw/zinc/90/98/37/865909837.db2.gz ZTXYBDHUPWMZRA-SNVBAGLBSA-N -1 1 371.394 0.812 10 0 FCAEMM CC[C@H](O)Cn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nn1 ZINC001295601835 865909890 /nfs/dbraw/zinc/90/98/90/865909890.db2.gz ZTXYBDHUPWMZRA-JTQLQIEISA-N -1 1 371.394 0.812 10 0 FCAEMM COC(=O)CCN(CC(OC)OC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001296244899 865952291 /nfs/dbraw/zinc/95/22/91/865952291.db2.gz NLQDDUHQGIOXPF-UHFFFAOYSA-N -1 1 353.375 0.684 10 0 FCAEMM CSc1ncc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(=O)[n-]1 ZINC001297721468 866053215 /nfs/dbraw/zinc/05/32/15/866053215.db2.gz DJIFJJYQKVVNPZ-VXJOIVPMSA-N -1 1 365.415 0.497 10 0 FCAEMM O=C([C@H](C[C@@H]1COCCO1)C(F)(F)F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001302136620 866312114 /nfs/dbraw/zinc/31/21/14/866312114.db2.gz FKFWBJTYWJFCMF-KXUCPTDWSA-N -1 1 365.312 0.084 10 0 FCAEMM O=C(c1c[nH]nc1I)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302939300 866365399 /nfs/dbraw/zinc/36/53/99/866365399.db2.gz YGEJDDNJWJYCCV-RXMQYKEDSA-N -1 1 359.131 0.157 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001303199322 866388079 /nfs/dbraw/zinc/38/80/79/866388079.db2.gz BXHMPTSXARGJAK-UHFFFAOYSA-N -1 1 366.447 0.748 10 0 FCAEMM CCN1CCN(CC(=O)Nc2ccc(Br)c([O-])c2)C(=O)C1=O ZINC001321150926 868382235 /nfs/dbraw/zinc/38/22/35/868382235.db2.gz SOYSIPIDODFNSD-UHFFFAOYSA-N -1 1 370.203 0.784 10 0 FCAEMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001324137389 869484066 /nfs/dbraw/zinc/48/40/66/869484066.db2.gz WBIYLSHQEKCWOS-ZSBIGDGJSA-N -1 1 361.364 0.818 10 0 FCAEMM COc1ccc(NC(=O)[C@H]2CCNC(=O)CC2)cc1[N-]S(C)(=O)=O ZINC001324258762 869523829 /nfs/dbraw/zinc/52/38/29/869523829.db2.gz PSHVFHYYYNVJEP-SNVBAGLBSA-N -1 1 355.416 0.922 10 0 FCAEMM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)CCc3nc[nH]n3)cn2)c1 ZINC001324282049 869531621 /nfs/dbraw/zinc/53/16/21/869531621.db2.gz SLSJPNVEOUQAKQ-UHFFFAOYSA-N -1 1 361.387 0.132 10 0 FCAEMM Cc1ccc(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC001326216425 870213212 /nfs/dbraw/zinc/21/32/12/870213212.db2.gz MTDFJKIWPIVWKJ-ZWNOBZJWSA-N -1 1 369.443 0.624 10 0 FCAEMM FC1(F)[C@H]2CN(c3nnc(-c4nnn[n-]4)n3C[C@H]3CCCCO3)C[C@H]21 ZINC001345486159 871373941 /nfs/dbraw/zinc/37/39/41/871373941.db2.gz SEZOANUNWXDSTQ-BBBLOLIVSA-N -1 1 352.349 0.729 10 0 FCAEMM FC1(F)[C@H]2CN(c3nnc(-c4nn[n-]n4)n3C[C@H]3CCCCO3)C[C@H]21 ZINC001345486159 871373959 /nfs/dbraw/zinc/37/39/59/871373959.db2.gz SEZOANUNWXDSTQ-BBBLOLIVSA-N -1 1 352.349 0.729 10 0 FCAEMM Cc1ncsc1/C=C\C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001332629509 873588736 /nfs/dbraw/zinc/58/87/36/873588736.db2.gz RFKXGTICCAMWPX-RXYHWBRQSA-N -1 1 351.428 0.853 10 0 FCAEMM O=C(N[C@H](C(=O)[O-])C1CCOCC1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001332932908 873722066 /nfs/dbraw/zinc/72/20/66/873722066.db2.gz NYXXWNYGXHMZPF-RDBSUJKOSA-N -1 1 357.476 0.745 10 0 FCAEMM Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291634575 214046727 /nfs/dbraw/zinc/04/67/27/214046727.db2.gz VANACHPRFXOCBP-UHFFFAOYSA-N -1 1 357.370 0.754 10 0 FCAEMM C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000293799923 214202256 /nfs/dbraw/zinc/20/22/56/214202256.db2.gz BYDLFCCDPFTZOO-GFCCVEGCSA-N -1 1 353.382 0.931 10 0 FCAEMM COc1cc(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc(OC)c1O ZINC000294561012 214253983 /nfs/dbraw/zinc/25/39/83/214253983.db2.gz XGFKBZLIJHWGAS-LLVKDONJSA-N -1 1 362.386 0.770 10 0 FCAEMM O=C(CN1CCC[C@H](c2n[n-]c(=O)o2)C1)NCCN1CCc2ccccc21 ZINC000295143765 214278614 /nfs/dbraw/zinc/27/86/14/214278614.db2.gz FCEHYCXFNMCBLB-HNNXBMFYSA-N -1 1 371.441 0.721 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1cnc2c(Cl)cnn2c1 ZINC000296975724 214371941 /nfs/dbraw/zinc/37/19/41/214371941.db2.gz IJRLEZLODVCBTO-UHFFFAOYSA-N -1 1 356.795 0.782 10 0 FCAEMM Cc1n[nH]cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000265390351 210116111 /nfs/dbraw/zinc/11/61/11/210116111.db2.gz CKTWVUWTVGZOTK-UHFFFAOYSA-N -1 1 366.399 0.697 10 0 FCAEMM C[S@](=O)C1(CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000930757386 674056374 /nfs/dbraw/zinc/05/63/74/674056374.db2.gz MPIWRWYOZUFPHM-DEOSSOPVSA-N -1 1 360.382 0.356 10 0 FCAEMM O=C(NCCO[C@H]1CC1(F)F)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930974738 674083617 /nfs/dbraw/zinc/08/36/17/674083617.db2.gz CCHVKFCNVBOULI-LBPRGKRZSA-N -1 1 364.295 0.870 10 0 FCAEMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000364185015 215644415 /nfs/dbraw/zinc/64/44/15/215644415.db2.gz SWPINERRCSRCMK-VXGBXAGGSA-N -1 1 374.415 0.370 10 0 FCAEMM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283809343 213011659 /nfs/dbraw/zinc/01/16/59/213011659.db2.gz XVGNGLKSEOBNPN-VIFPVBQESA-N -1 1 365.340 0.512 10 0 FCAEMM CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)cc2C1=O ZINC000282939948 212887069 /nfs/dbraw/zinc/88/70/69/212887069.db2.gz POPQSMGEEBJIJM-SNVBAGLBSA-N -1 1 355.354 0.344 10 0 FCAEMM CN1CCN([C@@H]2CCCCN(S(=O)(=O)[N-]CC(F)(F)F)C2)CC1 ZINC000195442692 209337556 /nfs/dbraw/zinc/33/75/56/209337556.db2.gz IVGUWVXKTZEAPQ-GFCCVEGCSA-N -1 1 358.430 0.485 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)co1 ZINC000189749294 209258966 /nfs/dbraw/zinc/25/89/66/209258966.db2.gz GLNZBGFHMPQUHW-UHFFFAOYSA-N -1 1 353.404 0.182 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000277244293 212343037 /nfs/dbraw/zinc/34/30/37/212343037.db2.gz KUEHANHYAOXMHB-UHFFFAOYSA-N -1 1 352.412 0.842 10 0 FCAEMM CC(C)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000275979350 212132598 /nfs/dbraw/zinc/13/25/98/212132598.db2.gz DPRLEDASHHSKQJ-UTLUCORTSA-N -1 1 356.408 0.649 10 0 FCAEMM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)[nH]c1-c1ccccc1 ZINC000275320261 212006959 /nfs/dbraw/zinc/00/69/59/212006959.db2.gz XNHKZYRJMOTEGO-NEPJUHHUSA-N -1 1 356.425 0.317 10 0 FCAEMM O=C(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)NC1CCC2(CC1)OCCO2 ZINC000373840178 217065514 /nfs/dbraw/zinc/06/55/14/217065514.db2.gz WCWZKFKLTUSAJD-UHFFFAOYSA-N -1 1 365.434 0.492 10 0 FCAEMM COC(=O)[C@](C)(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(F)cc1 ZINC000416236194 245554548 /nfs/dbraw/zinc/55/45/48/245554548.db2.gz YIILHGDKHTXOGL-MRXNPFEDSA-N -1 1 365.317 0.854 10 0 FCAEMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCN(c3ncccn3)C1)c2=O ZINC000181802340 209121735 /nfs/dbraw/zinc/12/17/35/209121735.db2.gz CUJRLXOONTTWKO-NSHDSACASA-N -1 1 353.386 0.863 10 0 FCAEMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(=O)OCC ZINC000433879381 247890157 /nfs/dbraw/zinc/89/01/57/247890157.db2.gz VQJGJHULJWLZQS-TZOMUSMUSA-N -1 1 359.404 0.763 10 0 FCAEMM Cc1ccc(C(=O)NCCC(=O)NC2(c3nn[n-]n3)CCCC2)c(O)c1 ZINC000436961831 248055517 /nfs/dbraw/zinc/05/55/17/248055517.db2.gz ANKGMWFGAFYGLE-UHFFFAOYSA-N -1 1 358.402 0.919 10 0 FCAEMM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1=O ZINC000440080893 248154787 /nfs/dbraw/zinc/15/47/87/248154787.db2.gz QRQSJSCQOKIYDT-SECBINFHSA-N -1 1 364.420 0.797 10 0 FCAEMM CC[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C(=O)OC ZINC000438984892 248104361 /nfs/dbraw/zinc/10/43/61/248104361.db2.gz HBFQYKQLFWSHRB-CYBMUJFWSA-N -1 1 366.418 0.328 10 0 FCAEMM CCn1cnc(S(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000443151775 248308663 /nfs/dbraw/zinc/30/86/63/248308663.db2.gz IFEADYCMDXHBHB-MRXNPFEDSA-N -1 1 364.471 0.601 10 0 FCAEMM CC1(C)CCC(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000469732280 250002047 /nfs/dbraw/zinc/00/20/47/250002047.db2.gz AQBDHZAWCSLDJR-UHFFFAOYSA-N -1 1 357.432 0.742 10 0 FCAEMM COC(=O)c1ccc(CS(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)cc1 ZINC000270274543 211178868 /nfs/dbraw/zinc/17/88/68/211178868.db2.gz SINQQZRSPADWCA-HNNXBMFYSA-N -1 1 373.452 0.941 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccnn2C)co1 ZINC000470583647 250051346 /nfs/dbraw/zinc/05/13/46/250051346.db2.gz ONGODNGTURGZPF-UHFFFAOYSA-N -1 1 356.404 0.210 10 0 FCAEMM O=C(CNC(=O)c1cccc(Br)c1)NC1(c2nn[n-]n2)CC1 ZINC000470975397 250082361 /nfs/dbraw/zinc/08/23/61/250082361.db2.gz LYLAMYLUXUCKJZ-UHFFFAOYSA-N -1 1 365.191 0.498 10 0 FCAEMM CC(C)C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000470975410 250082986 /nfs/dbraw/zinc/08/29/86/250082986.db2.gz MHSFNRYAGKIMDS-RWMBFGLXSA-N -1 1 372.429 0.671 10 0 FCAEMM COc1ccc(CN2C[C@H](C(=O)NC3(c4nn[n-]n4)CC3)CC2=O)cc1 ZINC000470981172 250085104 /nfs/dbraw/zinc/08/51/04/250085104.db2.gz DYXPPSNXVLHRET-GFCCVEGCSA-N -1 1 356.386 0.362 10 0 FCAEMM CO[C@H]1CC[C@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000471698329 250115613 /nfs/dbraw/zinc/11/56/13/250115613.db2.gz UQADVQPUCCDVAE-KBPBESRZSA-N -1 1 364.446 0.944 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000473218269 250208687 /nfs/dbraw/zinc/20/86/87/250208687.db2.gz YRBWVTKBSXKZKM-LLVKDONJSA-N -1 1 352.391 0.223 10 0 FCAEMM CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000473373102 250224591 /nfs/dbraw/zinc/22/45/91/250224591.db2.gz LBLKQPSDILADJG-UHFFFAOYSA-N -1 1 364.431 0.649 10 0 FCAEMM COC[C@](C)(CCO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000482723502 250401524 /nfs/dbraw/zinc/40/15/24/250401524.db2.gz NXKZRHIRWOHKFH-HNNXBMFYSA-N -1 1 362.448 0.874 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000410027843 533403946 /nfs/dbraw/zinc/40/39/46/533403946.db2.gz ICFYNUOJOYPPET-JQWIXIFHSA-N -1 1 364.427 0.371 10 0 FCAEMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000008204894 487514186 /nfs/dbraw/zinc/51/41/86/487514186.db2.gz XNKUKCYLPFVIHZ-UHFFFAOYSA-N -1 1 368.459 0.132 10 0 FCAEMM CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000331341955 489199928 /nfs/dbraw/zinc/19/99/28/489199928.db2.gz SURXWDNSLDEIJV-UHFFFAOYSA-N -1 1 359.832 0.153 10 0 FCAEMM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCCN1CCOCC1 ZINC000053449955 488202273 /nfs/dbraw/zinc/20/22/73/488202273.db2.gz WLOXJHDWIIOVEN-UHFFFAOYSA-N -1 1 355.460 0.900 10 0 FCAEMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000101664441 488495664 /nfs/dbraw/zinc/49/56/64/488495664.db2.gz MPHLACAVRZHXOO-UHFFFAOYSA-N -1 1 354.436 0.859 10 0 FCAEMM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000101664441 488495666 /nfs/dbraw/zinc/49/56/66/488495666.db2.gz MPHLACAVRZHXOO-UHFFFAOYSA-N -1 1 354.436 0.859 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(=O)NC1CCCCC1 ZINC000104872765 488506450 /nfs/dbraw/zinc/50/64/50/488506450.db2.gz DTERNTFLPRZPEH-UHFFFAOYSA-N -1 1 359.430 0.747 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(c2cccnn2)CC1 ZINC000104880382 488506498 /nfs/dbraw/zinc/50/64/98/488506498.db2.gz PFFGCVAWAVYCSC-UHFFFAOYSA-N -1 1 367.413 0.321 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2nnc3ccccn32)co1 ZINC000125894520 488604829 /nfs/dbraw/zinc/60/48/29/488604829.db2.gz ZCUAFGZMBNWIAK-UHFFFAOYSA-N -1 1 363.399 0.593 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127511385 488617335 /nfs/dbraw/zinc/61/73/35/488617335.db2.gz FCVUHNCOTNNRAL-AWEZNQCLSA-N -1 1 359.430 0.161 10 0 FCAEMM Cc1csc(C2([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CCC2)n1 ZINC000266804738 488732575 /nfs/dbraw/zinc/73/25/75/488732575.db2.gz CXUKOXBAHKNJSO-UHFFFAOYSA-N -1 1 370.456 0.207 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cs1 ZINC000274942852 488746153 /nfs/dbraw/zinc/74/61/53/488746153.db2.gz REZJXNWTUSYFQK-VIFPVBQESA-N -1 1 359.385 0.232 10 0 FCAEMM COCCc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000275267415 488778526 /nfs/dbraw/zinc/77/85/26/488778526.db2.gz JNYMKYHPVSVJIZ-UHFFFAOYSA-N -1 1 356.444 0.657 10 0 FCAEMM C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C1(N2CCOCC2)CCCC1 ZINC000267884466 488827336 /nfs/dbraw/zinc/82/73/36/488827336.db2.gz QHYLYFVFLFDFAX-GFCCVEGCSA-N -1 1 350.419 0.249 10 0 FCAEMM Cn1ccc(N2CCC[C@H](NC(=O)c3nc4ccccc4c(=O)[n-]3)C2=O)n1 ZINC000173260222 488841833 /nfs/dbraw/zinc/84/18/33/488841833.db2.gz CGEYJYCQDJYOBD-ZDUSSCGKSA-N -1 1 366.381 0.582 10 0 FCAEMM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289354812 489061385 /nfs/dbraw/zinc/06/13/85/489061385.db2.gz GQOWEBDKFWWCFN-CYBMUJFWSA-N -1 1 365.459 0.728 10 0 FCAEMM CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289480622 489070777 /nfs/dbraw/zinc/07/07/77/489070777.db2.gz RQRDQMZXKWGEOZ-CYBMUJFWSA-N -1 1 372.429 0.618 10 0 FCAEMM CCN(CC)C(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000330505025 489109962 /nfs/dbraw/zinc/10/99/62/489109962.db2.gz JQNBEXUDOWRFEN-UHFFFAOYSA-N -1 1 371.459 0.908 10 0 FCAEMM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941971 489201306 /nfs/dbraw/zinc/20/13/06/489201306.db2.gz PSQLDYIALBWPFI-WCQYABFASA-N -1 1 361.402 0.852 10 0 FCAEMM CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282941961 489201399 /nfs/dbraw/zinc/20/13/99/489201399.db2.gz PSQLDYIALBWPFI-AAEUAGOBSA-N -1 1 361.402 0.852 10 0 FCAEMM CS(=O)(=O)c1nccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)n1 ZINC000563378683 491240328 /nfs/dbraw/zinc/24/03/28/491240328.db2.gz NXUZTOJFDLLKTG-UHFFFAOYSA-N -1 1 367.334 1.089 10 0 FCAEMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)c1 ZINC000349470462 489293270 /nfs/dbraw/zinc/29/32/70/489293270.db2.gz SJRZSDJYAQPHDJ-UHFFFAOYSA-N -1 1 363.461 0.797 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1ccc(Cl)cn1 ZINC000349473639 489293904 /nfs/dbraw/zinc/29/39/04/489293904.db2.gz YKVSWEHOUZAVGZ-UHFFFAOYSA-N -1 1 369.852 0.834 10 0 FCAEMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]1C1CC1)[N-]c1ccccn1 ZINC000349546469 489312430 /nfs/dbraw/zinc/31/24/30/489312430.db2.gz TWQIKHQOMIHXSR-QWHCGFSZSA-N -1 1 359.473 0.931 10 0 FCAEMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cn(C)c(C)n3)n2)cn1 ZINC000349816010 489331577 /nfs/dbraw/zinc/33/15/77/489331577.db2.gz IJRKZLGILWCNFT-UHFFFAOYSA-N -1 1 364.387 0.661 10 0 FCAEMM COc1cccc(-n2cc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)nn2)c1 ZINC000298842685 489372634 /nfs/dbraw/zinc/37/26/34/489372634.db2.gz DQYRLPZHQTZXHE-LLVKDONJSA-N -1 1 369.385 0.707 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000451824399 489525772 /nfs/dbraw/zinc/52/57/72/489525772.db2.gz MGOMFSKPZVEYOL-UHFFFAOYSA-N -1 1 350.198 0.540 10 0 FCAEMM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000416324048 489583870 /nfs/dbraw/zinc/58/38/70/489583870.db2.gz PUFQVUQZXRPSLX-LLVKDONJSA-N -1 1 370.789 0.948 10 0 FCAEMM COC(=O)C(C)(C)N1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000428037411 489633796 /nfs/dbraw/zinc/63/37/96/489633796.db2.gz TXUDSHCXGMHIRK-UHFFFAOYSA-N -1 1 368.459 0.922 10 0 FCAEMM COCCN(C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H]1CCOC1 ZINC000428562983 489653796 /nfs/dbraw/zinc/65/37/96/489653796.db2.gz YKWZWFCKVHLVNG-HNNXBMFYSA-N -1 1 372.425 0.947 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000429491409 489689857 /nfs/dbraw/zinc/68/98/57/489689857.db2.gz LDFMTMAUFFGCDE-MNOVXSKESA-N -1 1 374.397 0.830 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000429491409 489689861 /nfs/dbraw/zinc/68/98/61/489689861.db2.gz LDFMTMAUFFGCDE-MNOVXSKESA-N -1 1 374.397 0.830 10 0 FCAEMM O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1(c2nn[n-]n2)CC1 ZINC000430331090 489730898 /nfs/dbraw/zinc/73/08/98/489730898.db2.gz KHFMOGXEVHTPIA-UHFFFAOYSA-N -1 1 370.394 0.667 10 0 FCAEMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC1(c3nn[n-]n3)CC1)C2=O ZINC000477031264 489933461 /nfs/dbraw/zinc/93/34/61/489933461.db2.gz FDUBIMHEGCQPKD-MRXNPFEDSA-N -1 1 361.406 0.196 10 0 FCAEMM O=C(CNC(=O)c1ccccc1OC(F)F)NC1(c2nn[n-]n2)CC1 ZINC000477051267 489935830 /nfs/dbraw/zinc/93/58/30/489935830.db2.gz UDNAVHHBPMHCHB-UHFFFAOYSA-N -1 1 352.301 0.336 10 0 FCAEMM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3(c4nn[n-]n4)CC3)cc12 ZINC000477053826 489935980 /nfs/dbraw/zinc/93/59/80/489935980.db2.gz ZUIINYZALVKXOU-MRVPVSSYSA-N -1 1 374.430 0.380 10 0 FCAEMM C[C@](O)(CO)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000571168518 491289723 /nfs/dbraw/zinc/28/97/23/491289723.db2.gz VXDFAEBIXBJIPN-GFCCVEGCSA-N -1 1 371.242 0.131 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000377884131 489972500 /nfs/dbraw/zinc/97/25/00/489972500.db2.gz MMSXPWCRBKQHQP-GFCCVEGCSA-N -1 1 356.448 1.025 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000377885896 489972786 /nfs/dbraw/zinc/97/27/86/489972786.db2.gz WETTWANWFMOUAW-NEPJUHHUSA-N -1 1 356.448 1.025 10 0 FCAEMM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000462396781 489972989 /nfs/dbraw/zinc/97/29/89/489972989.db2.gz XWLQDFQRYYMRDK-VIFPVBQESA-N -1 1 371.390 0.271 10 0 FCAEMM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)OC ZINC000463689530 490024977 /nfs/dbraw/zinc/02/49/77/490024977.db2.gz OVFNLCYEUIESFY-VIFPVBQESA-N -1 1 353.755 0.862 10 0 FCAEMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000478581436 490026995 /nfs/dbraw/zinc/02/69/95/490026995.db2.gz PSMYWOCCTDRCST-VIFPVBQESA-N -1 1 355.424 0.090 10 0 FCAEMM CCNC(=O)C1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000478715027 490033284 /nfs/dbraw/zinc/03/32/84/490033284.db2.gz GYEGUIHEHJZGMG-UHFFFAOYSA-N -1 1 370.431 0.667 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CC(n4cc([C@@H](C)O)nn4)C3)cnc2n1 ZINC000378571762 490098124 /nfs/dbraw/zinc/09/81/24/490098124.db2.gz NMJMKVZLSZKKQO-SNVBAGLBSA-N -1 1 354.370 0.986 10 0 FCAEMM Cc1ccc2c(=O)c(C(=O)N3CC(n4cc([C@@H](C)O)nn4)C3)c[n-]c2n1 ZINC000378571762 490098129 /nfs/dbraw/zinc/09/81/29/490098129.db2.gz NMJMKVZLSZKKQO-SNVBAGLBSA-N -1 1 354.370 0.986 10 0 FCAEMM O=C([O-])CN1CCCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000390724995 490137499 /nfs/dbraw/zinc/13/74/99/490137499.db2.gz MVJLDRBEIUMVOZ-UHFFFAOYSA-N -1 1 356.429 0.472 10 0 FCAEMM CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408061653 490234873 /nfs/dbraw/zinc/23/48/73/490234873.db2.gz KXSVQCONBWUIOL-STQMWFEESA-N -1 1 358.485 0.995 10 0 FCAEMM COC[C@@](C)(CCO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000482723503 490244278 /nfs/dbraw/zinc/24/42/78/490244278.db2.gz NXKZRHIRWOHKFH-OAHLLOKOSA-N -1 1 362.448 0.874 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nccn2CC(F)(F)F)co1 ZINC000533717570 490277222 /nfs/dbraw/zinc/27/72/22/490277222.db2.gz VBKZJLAKGNNHON-UHFFFAOYSA-N -1 1 366.321 0.877 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)c1 ZINC000507920772 490278146 /nfs/dbraw/zinc/27/81/46/490278146.db2.gz LNAQWNPBFIQOOE-UHFFFAOYSA-N -1 1 365.429 0.559 10 0 FCAEMM Cc1cc(C)c2ncc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c(O)c2c1 ZINC000483130481 490285331 /nfs/dbraw/zinc/28/53/31/490285331.db2.gz XBVSAQXXYDMNLX-UHFFFAOYSA-N -1 1 361.383 0.919 10 0 FCAEMM Cc1cc(C)c2ncc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)c(O)c2c1 ZINC000483130481 490285335 /nfs/dbraw/zinc/28/53/35/490285335.db2.gz XBVSAQXXYDMNLX-UHFFFAOYSA-N -1 1 361.383 0.919 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000547871188 490370725 /nfs/dbraw/zinc/37/07/25/490370725.db2.gz IPPYAMBUCPKYCB-NSHDSACASA-N -1 1 352.397 0.994 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)NCc1nc(C(=O)[O-])cs1 ZINC000548212297 490441041 /nfs/dbraw/zinc/44/10/41/490441041.db2.gz SIWRGFLCUNRKCB-UHFFFAOYSA-N -1 1 363.398 0.563 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])o1 ZINC000548223435 490445006 /nfs/dbraw/zinc/44/50/06/490445006.db2.gz XPYUVMNGTCYDGV-NSHDSACASA-N -1 1 374.415 0.674 10 0 FCAEMM O=C(CN1CCOCC1=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450693560 490483756 /nfs/dbraw/zinc/48/37/56/490483756.db2.gz DZJWPGLHADOKML-UHFFFAOYSA-N -1 1 351.750 0.628 10 0 FCAEMM O=C(CN1CCOCC1=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450693560 490483759 /nfs/dbraw/zinc/48/37/59/490483759.db2.gz DZJWPGLHADOKML-UHFFFAOYSA-N -1 1 351.750 0.628 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500592119 490537003 /nfs/dbraw/zinc/53/70/03/490537003.db2.gz NSYPMGSCTRUFGT-SFYZADRCSA-N -1 1 361.449 0.094 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500592119 490537005 /nfs/dbraw/zinc/53/70/05/490537005.db2.gz NSYPMGSCTRUFGT-SFYZADRCSA-N -1 1 361.449 0.094 10 0 FCAEMM Cn1ncc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1C(=O)[O-] ZINC000536685091 490606731 /nfs/dbraw/zinc/60/67/31/490606731.db2.gz MLFFHMWSTVPEPF-UHFFFAOYSA-N -1 1 359.385 0.323 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000525494516 490608761 /nfs/dbraw/zinc/60/87/61/490608761.db2.gz BTOIZZXBWQTBFM-LBPRGKRZSA-N -1 1 365.415 0.048 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC000525494516 490608767 /nfs/dbraw/zinc/60/87/67/490608767.db2.gz BTOIZZXBWQTBFM-LBPRGKRZSA-N -1 1 365.415 0.048 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n1 ZINC000512603875 490689963 /nfs/dbraw/zinc/68/99/63/490689963.db2.gz ZSOGVGUXCAUHHG-JTQLQIEISA-N -1 1 363.399 0.738 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)[n-]1 ZINC000512603875 490689966 /nfs/dbraw/zinc/68/99/66/490689966.db2.gz ZSOGVGUXCAUHHG-JTQLQIEISA-N -1 1 363.399 0.738 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC[C@@H](c3nn[n-]n3)C1)C2=O ZINC000538222771 490720299 /nfs/dbraw/zinc/72/02/99/490720299.db2.gz AQENCHRFXVENHM-NWDGAFQWSA-N -1 1 368.397 0.899 10 0 FCAEMM CCS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000538226273 490720922 /nfs/dbraw/zinc/72/09/22/490720922.db2.gz OBERFMFDMSQNSI-CYBMUJFWSA-N -1 1 363.443 0.942 10 0 FCAEMM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000530134919 490889792 /nfs/dbraw/zinc/88/97/92/490889792.db2.gz QWNZXNSZBLBQGG-SSDOTTSWSA-N -1 1 367.309 0.136 10 0 FCAEMM CCN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)[C@H]1c1cccnc1 ZINC000562530861 491172061 /nfs/dbraw/zinc/17/20/61/491172061.db2.gz FJXXYAIGJHGQNS-IJEWVQPXSA-N -1 1 369.429 0.910 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000572528187 491376580 /nfs/dbraw/zinc/37/65/80/491376580.db2.gz HREWZPPXSTWISL-ZWNOBZJWSA-N -1 1 364.427 1.033 10 0 FCAEMM CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000565725118 491395667 /nfs/dbraw/zinc/39/56/67/491395667.db2.gz CHVBBCCYESSGRS-NSHDSACASA-N -1 1 363.418 0.567 10 0 FCAEMM CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000565725117 491395696 /nfs/dbraw/zinc/39/56/96/491395696.db2.gz CHVBBCCYESSGRS-LLVKDONJSA-N -1 1 363.418 0.567 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCCC(N)=O)cc1)C1CC1 ZINC000566737350 491463971 /nfs/dbraw/zinc/46/39/71/491463971.db2.gz HRORPTHCJZDIDC-AWEZNQCLSA-N -1 1 369.443 0.459 10 0 FCAEMM Cn1[n-]c(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)nc1=O ZINC000574501795 491501115 /nfs/dbraw/zinc/50/11/15/491501115.db2.gz GJLTXABKNFAZHZ-SMDDNHRTSA-N -1 1 353.785 0.963 10 0 FCAEMM Cc1nc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000577220297 491604161 /nfs/dbraw/zinc/60/41/61/491604161.db2.gz LWBSDMXYAWYEAO-UHTWSYAYSA-N -1 1 363.418 0.388 10 0 FCAEMM COc1cc(OC)c(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c(C(=O)[O-])c1 ZINC000578538596 491679515 /nfs/dbraw/zinc/67/95/15/491679515.db2.gz ZMJVYPGSPMMCCY-MRVPVSSYSA-N -1 1 360.388 0.620 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CN3C(=O)COc4ccccc43)nc2n1 ZINC000588006507 491737112 /nfs/dbraw/zinc/73/71/12/491737112.db2.gz LPPGBJCEKIHCJD-UHFFFAOYSA-N -1 1 354.326 0.090 10 0 FCAEMM COc1cc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)cc2c1OCCO2 ZINC000588006360 491737246 /nfs/dbraw/zinc/73/72/46/491737246.db2.gz FSVXNCVHUOLEJK-UHFFFAOYSA-N -1 1 357.326 0.758 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000589189624 491757122 /nfs/dbraw/zinc/75/71/22/491757122.db2.gz NCFCWIPLRKTRPO-UHFFFAOYSA-N -1 1 362.429 0.432 10 0 FCAEMM CCOC(=O)C[C@H](CO)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000590554196 491779270 /nfs/dbraw/zinc/77/92/70/491779270.db2.gz PGKUPYNCPISNLI-SNVBAGLBSA-N -1 1 357.432 0.575 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1ccnn1C ZINC000592091700 491831551 /nfs/dbraw/zinc/83/15/51/491831551.db2.gz KHYXRCXMRPXQQV-ZDUSSCGKSA-N -1 1 355.420 0.465 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccnn1C ZINC000592095329 491832092 /nfs/dbraw/zinc/83/20/92/491832092.db2.gz YRSORPHWMKGVJY-BMIGLBTASA-N -1 1 365.411 0.936 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000582915362 491832180 /nfs/dbraw/zinc/83/21/80/491832180.db2.gz MVSOVSGFRYYPHG-KRWDZBQOSA-N -1 1 354.414 0.933 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)CC1Cc2ccccc2C1)c1ccnn1C ZINC000592099909 491832434 /nfs/dbraw/zinc/83/24/34/491832434.db2.gz ZTILBSYBVDTLTG-MRXNPFEDSA-N -1 1 363.439 0.969 10 0 FCAEMM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000583757595 491851431 /nfs/dbraw/zinc/85/14/31/491851431.db2.gz YBQXZLGMSQLNAO-QMMMGPOBSA-N -1 1 356.828 0.791 10 0 FCAEMM CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000584294711 491862529 /nfs/dbraw/zinc/86/25/29/491862529.db2.gz DOAQRVQVJOGZHK-ZDUSSCGKSA-N -1 1 366.399 0.086 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)co1 ZINC000600556551 491868493 /nfs/dbraw/zinc/86/84/93/491868493.db2.gz MKBDUHPJEFFNBN-AVGNSLFASA-N -1 1 370.427 0.992 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000601284519 491901972 /nfs/dbraw/zinc/90/19/72/491901972.db2.gz JBUVHZJSYOEVFP-GJZGRUSLSA-N -1 1 366.439 0.453 10 0 FCAEMM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC000601388230 491911722 /nfs/dbraw/zinc/91/17/22/491911722.db2.gz PQNAXXJLNJIEDJ-LBPRGKRZSA-N -1 1 356.375 0.414 10 0 FCAEMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595400421 491928554 /nfs/dbraw/zinc/92/85/54/491928554.db2.gz GJZUTXAYCGZISD-LLVKDONJSA-N -1 1 364.464 0.273 10 0 FCAEMM COC(=O)[C@@H](C)CS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595401404 491928576 /nfs/dbraw/zinc/92/85/76/491928576.db2.gz VRTMLTXWGHBWBQ-NSHDSACASA-N -1 1 365.448 0.606 10 0 FCAEMM CN1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])NC1=O ZINC000613020761 491962713 /nfs/dbraw/zinc/96/27/13/491962713.db2.gz DXXSUPDOPHMMEJ-LBPRGKRZSA-N -1 1 368.415 0.139 10 0 FCAEMM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000596589778 491992105 /nfs/dbraw/zinc/99/21/05/491992105.db2.gz QCKAHWJFHXLUES-ZDUSSCGKSA-N -1 1 368.459 0.841 10 0 FCAEMM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000596589776 491992196 /nfs/dbraw/zinc/99/21/96/491992196.db2.gz QCKAHWJFHXLUES-CYBMUJFWSA-N -1 1 368.459 0.841 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CSCC(=O)OC(C)(C)C)nc2n1 ZINC000598838798 492119136 /nfs/dbraw/zinc/11/91/36/492119136.db2.gz NXEOEHXKMKVULG-UHFFFAOYSA-N -1 1 353.404 0.739 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)o1 ZINC000616362060 492127622 /nfs/dbraw/zinc/12/76/22/492127622.db2.gz VSWYMUKWPPJIDX-JTQLQIEISA-N -1 1 357.432 0.755 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](CO)C1CCC1 ZINC000617300715 492163678 /nfs/dbraw/zinc/16/36/78/492163678.db2.gz FDCBUSUJNNDKNZ-OAHLLOKOSA-N -1 1 364.446 0.537 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c(=O)n(C)c1=O ZINC000608036678 492163859 /nfs/dbraw/zinc/16/38/59/492163859.db2.gz VAUDDDZIHJIJTJ-CQSZACIVSA-N -1 1 363.439 0.904 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)no1 ZINC000608050702 492164777 /nfs/dbraw/zinc/16/47/77/492164777.db2.gz OERNVRVGBGGXPC-NOZJJQNGSA-N -1 1 353.404 0.330 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000599402924 492168508 /nfs/dbraw/zinc/16/85/08/492168508.db2.gz HAYLLBSLQFFGDM-SMDDNHRTSA-N -1 1 372.443 0.175 10 0 FCAEMM Cc1nc(S(=O)(=O)NCCC(=O)Nc2c([O-])cccc2F)cn1C ZINC000608367574 492174352 /nfs/dbraw/zinc/17/43/52/492174352.db2.gz XMELKJHFEICIGD-UHFFFAOYSA-N -1 1 356.379 0.880 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)co1 ZINC000617534928 492174710 /nfs/dbraw/zinc/17/47/10/492174710.db2.gz MODJJZAKHWTAEK-WCFLWFBJSA-N -1 1 360.432 0.484 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000617769054 492191262 /nfs/dbraw/zinc/19/12/62/492191262.db2.gz HOAMOVYSOTZWPC-UHFFFAOYSA-N -1 1 352.391 0.617 10 0 FCAEMM COCc1nc(CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)n[nH]1 ZINC000617938846 492206951 /nfs/dbraw/zinc/20/69/51/492206951.db2.gz NLEBYROMXOWWCH-UHFFFAOYSA-N -1 1 357.367 0.392 10 0 FCAEMM Cc1cc(NC(=O)CSCC(=O)NC2(c3nn[n-]n3)CCCC2)no1 ZINC000609837033 492223981 /nfs/dbraw/zinc/22/39/81/492223981.db2.gz ZIXZOGPLPKTPPA-UHFFFAOYSA-N -1 1 365.419 0.754 10 0 FCAEMM O=C(CSCC(=O)N1CCCCC1)NC1(c2nn[n-]n2)CCCC1 ZINC000609881609 492225748 /nfs/dbraw/zinc/22/57/48/492225748.db2.gz AIXLJMIZEFLNQX-UHFFFAOYSA-N -1 1 352.464 0.831 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(CC(=O)OC)cc2)co1 ZINC000600224398 492250502 /nfs/dbraw/zinc/25/05/02/492250502.db2.gz PLFNMTICECZEGE-UHFFFAOYSA-N -1 1 366.395 0.833 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@@H](C)O1 ZINC000600378221 492265728 /nfs/dbraw/zinc/26/57/28/492265728.db2.gz ZQJQOOUBNSHEKO-SKDRFNHKSA-N -1 1 369.443 0.934 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N(CCC2CC2)CC2CC2)o1 ZINC000620630091 492321197 /nfs/dbraw/zinc/32/11/97/492321197.db2.gz QNXHZIJRQMNYLJ-UHFFFAOYSA-N -1 1 369.443 0.696 10 0 FCAEMM CN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000647586874 492326653 /nfs/dbraw/zinc/32/66/53/492326653.db2.gz PEYBZLLIYMIMRA-XUWVNRHRSA-N -1 1 359.426 0.918 10 0 FCAEMM CN(CCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000647586147 492326810 /nfs/dbraw/zinc/32/68/10/492326810.db2.gz PNZLRCLAVTZMME-DZGCQCFKSA-N -1 1 365.405 0.743 10 0 FCAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000641984332 492327229 /nfs/dbraw/zinc/32/72/29/492327229.db2.gz CMSRAVZNDXITIJ-UHFFFAOYSA-N -1 1 355.398 0.897 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3C(N)=O)C2)co1 ZINC000620894658 492342783 /nfs/dbraw/zinc/34/27/83/492342783.db2.gz PEIPQJKUNWIWJH-UHFFFAOYSA-N -1 1 363.395 0.485 10 0 FCAEMM CNC(=O)NC[C@H]1COCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000634514384 492349671 /nfs/dbraw/zinc/34/96/71/492349671.db2.gz PSISQFCTYZGMDN-JTQLQIEISA-N -1 1 372.219 0.925 10 0 FCAEMM CS(=O)(=O)N1CCC(CC(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000654806516 492354528 /nfs/dbraw/zinc/35/45/28/492354528.db2.gz AAKSTLWJDYYPQO-UHFFFAOYSA-N -1 1 356.452 0.147 10 0 FCAEMM COc1cccc([C@H](C(=O)[O-])N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000634693288 492359569 /nfs/dbraw/zinc/35/95/69/492359569.db2.gz UVSPDGMGHILVEL-OAHLLOKOSA-N -1 1 371.459 0.635 10 0 FCAEMM COCCCn1nc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)ccc1=O ZINC000621709130 492406019 /nfs/dbraw/zinc/40/60/19/492406019.db2.gz MLVFLQGDXUJWHD-OAHLLOKOSA-N -1 1 369.385 0.312 10 0 FCAEMM O=C(NCc1nn[n-]n1)C(=O)N1CCc2c1cccc2Br ZINC000643272417 492436720 /nfs/dbraw/zinc/43/67/20/492436720.db2.gz QNZWFCREAKHFBQ-UHFFFAOYSA-N -1 1 351.164 0.168 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)nc2n1 ZINC000622996504 492498862 /nfs/dbraw/zinc/49/88/62/492498862.db2.gz QACZRLVDPXQVIX-LBPRGKRZSA-N -1 1 360.418 0.956 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccnn3CC(F)(F)F)nc2n1 ZINC000622997673 492498928 /nfs/dbraw/zinc/49/89/28/492498928.db2.gz HJKZGHPNIXLKGH-UHFFFAOYSA-N -1 1 369.307 0.803 10 0 FCAEMM C[C@]1(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]2C[C@H]2C1 ZINC000629054366 492575040 /nfs/dbraw/zinc/57/50/40/492575040.db2.gz SMZZXBSASZELIE-RTUWITSCSA-N -1 1 355.416 0.209 10 0 FCAEMM CO[C@@H](CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(F)cc1 ZINC000629292266 492602878 /nfs/dbraw/zinc/60/28/78/492602878.db2.gz FKPXIKGSJLQBNJ-KBPBESRZSA-N -1 1 371.390 0.852 10 0 FCAEMM COc1ccc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1[N-]S(C)(=O)=O ZINC000650056050 492609622 /nfs/dbraw/zinc/60/96/22/492609622.db2.gz JTWJNQMNROHFMS-WAAGHKOSSA-N -1 1 356.404 0.452 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629536439 492641216 /nfs/dbraw/zinc/64/12/16/492641216.db2.gz KTEJIBWDKQFBDE-UHFFFAOYSA-N -1 1 371.463 0.009 10 0 FCAEMM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1ncccc1Br ZINC000656871206 492656164 /nfs/dbraw/zinc/65/61/64/492656164.db2.gz XGLMKCZEDDCIOZ-MRVPVSSYSA-N -1 1 369.262 0.557 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H]1CN(C)CCO1 ZINC000656938970 492673557 /nfs/dbraw/zinc/67/35/57/492673557.db2.gz LAIRCZZSTZTCOO-GXSJLCMTSA-N -1 1 364.265 0.842 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1ncccc1Br ZINC000656945165 492675329 /nfs/dbraw/zinc/67/53/29/492675329.db2.gz KHYLYIIEKYLTQJ-GFCCVEGCSA-N -1 1 365.249 0.912 10 0 FCAEMM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1ncccc1Br ZINC000656945166 492675748 /nfs/dbraw/zinc/67/57/48/492675748.db2.gz KHYLYIIEKYLTQJ-LBPRGKRZSA-N -1 1 365.249 0.912 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000656975361 492684036 /nfs/dbraw/zinc/68/40/36/492684036.db2.gz LMUZWPLMESFWKN-YUMQZZPRSA-N -1 1 359.326 0.559 10 0 FCAEMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C2CCC2)c(F)c1 ZINC000657057986 492705950 /nfs/dbraw/zinc/70/59/50/492705950.db2.gz YEEYRABNSVZMOE-GFCCVEGCSA-N -1 1 366.436 0.637 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCOC1 ZINC000657072257 492708984 /nfs/dbraw/zinc/70/89/84/492708984.db2.gz YVBOPSSLLNFLNN-IIAWOOMASA-N -1 1 368.455 0.545 10 0 FCAEMM CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC000630769234 492773683 /nfs/dbraw/zinc/77/36/83/492773683.db2.gz OIGBFHREPDINOJ-UHFFFAOYSA-N -1 1 357.418 0.529 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[n-]1 ZINC000651529267 492775633 /nfs/dbraw/zinc/77/56/33/492775633.db2.gz FFFZLNIFZLGEDH-HNNXBMFYSA-N -1 1 358.446 0.509 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000630908163 492783402 /nfs/dbraw/zinc/78/34/02/492783402.db2.gz LVMCTHNNAMKKCE-UHFFFAOYSA-N -1 1 350.329 0.395 10 0 FCAEMM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1ncccc1Br ZINC000625515786 492806179 /nfs/dbraw/zinc/80/61/79/492806179.db2.gz INLLTIPFPYKKND-SECBINFHSA-N -1 1 350.238 0.453 10 0 FCAEMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000631528742 492822831 /nfs/dbraw/zinc/82/28/31/492822831.db2.gz VXQZYJDLLIEWQD-SNVBAGLBSA-N -1 1 362.356 0.782 10 0 FCAEMM O=C1C[C@@H](S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)CN1C1CC1 ZINC000632014976 492911343 /nfs/dbraw/zinc/91/13/43/492911343.db2.gz XYBVBEAZPBCUCF-ZWNOBZJWSA-N -1 1 360.382 0.681 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000632142817 492938079 /nfs/dbraw/zinc/93/80/79/492938079.db2.gz IUSYMOHTLPTSGI-CQSZACIVSA-N -1 1 364.837 0.664 10 0 FCAEMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)sn1 ZINC000632334030 492975681 /nfs/dbraw/zinc/97/56/81/492975681.db2.gz SMYYLPMJKSHGNQ-JTQLQIEISA-N -1 1 353.491 0.544 10 0 FCAEMM COc1cc2[n-]cc(C(=O)NCCCn3ccnn3)c(=O)c2c(OC)c1 ZINC000626433735 492976321 /nfs/dbraw/zinc/97/63/21/492976321.db2.gz BZFJIXRPZZXUKT-UHFFFAOYSA-N -1 1 357.370 0.957 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)CCc3ccccc32)co1 ZINC000652704769 492995783 /nfs/dbraw/zinc/99/57/83/492995783.db2.gz SLBRGHXJKDDFNH-QGZVFWFLSA-N -1 1 364.423 0.794 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2ccnn2C)co1 ZINC000652984487 493053275 /nfs/dbraw/zinc/05/32/75/493053275.db2.gz SNMUOZQJTPJIBU-GFCCVEGCSA-N -1 1 354.388 0.135 10 0 FCAEMM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000633062506 493110680 /nfs/dbraw/zinc/11/06/80/493110680.db2.gz CDSNXYKHBSJOGP-GOSISDBHSA-N -1 1 367.446 0.023 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000633678462 493179792 /nfs/dbraw/zinc/17/97/92/493179792.db2.gz DTHNWZZXIZVYOQ-ZDUSSCGKSA-N -1 1 350.810 0.807 10 0 FCAEMM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659655734 493234097 /nfs/dbraw/zinc/23/40/97/493234097.db2.gz XQFIWOPCVIHLPX-HOCLYGCPSA-N -1 1 373.453 0.994 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1)CC(=O)[O-] ZINC000659666788 493241097 /nfs/dbraw/zinc/24/10/97/493241097.db2.gz VHTZPUPDUZYGFZ-ZFWWWQNUSA-N -1 1 353.463 0.935 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CC2)c(F)c1 ZINC000659936934 493305546 /nfs/dbraw/zinc/30/55/46/493305546.db2.gz XUIAWFXLRDACMN-UHFFFAOYSA-N -1 1 366.436 0.781 10 0 FCAEMM CCN1C(=O)[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCN2C1=O ZINC000675104585 493467738 /nfs/dbraw/zinc/46/77/38/493467738.db2.gz HAHGRUADPLTJPH-GFCCVEGCSA-N -1 1 355.354 0.032 10 0 FCAEMM COc1ccc(NC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1OC ZINC000662220524 493497272 /nfs/dbraw/zinc/49/72/72/493497272.db2.gz LPBXEBJJKHSREL-PIGZYNQJSA-N -1 1 350.371 0.675 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000662220050 493497310 /nfs/dbraw/zinc/49/73/10/493497310.db2.gz AWQOQFFGCRPTES-RFAUZJTJSA-N -1 1 370.308 0.980 10 0 FCAEMM C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220099 493497575 /nfs/dbraw/zinc/49/75/75/493497575.db2.gz CTVAPKVHNZZFLN-VNBZBWLYSA-N -1 1 359.382 0.393 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000677644396 493610998 /nfs/dbraw/zinc/61/09/98/493610998.db2.gz LLQCSFSGYIIQOP-MRXNPFEDSA-N -1 1 366.381 0.844 10 0 FCAEMM CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1Cc1nccn1C ZINC000091625185 521744883 /nfs/dbraw/zinc/74/48/83/521744883.db2.gz ABEDUORQVSBKEH-STQMWFEESA-N -1 1 372.429 0.030 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC)c1ccnn1C ZINC000592092915 546609700 /nfs/dbraw/zinc/60/97/00/546609700.db2.gz RBBARDGTSKOSJC-CYZMBNFOSA-N -1 1 373.431 0.285 10 0 FCAEMM CCOC(=O)CC1(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)CC1 ZINC000592094093 546610663 /nfs/dbraw/zinc/61/06/63/546610663.db2.gz AQXIGGLUUNWRRA-LBPRGKRZSA-N -1 1 359.404 0.039 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c(F)c1 ZINC000593595986 546716338 /nfs/dbraw/zinc/71/63/38/546716338.db2.gz MUXYEONOTTXRJP-SNVBAGLBSA-N -1 1 351.327 0.792 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCC2)c1ccnn1C ZINC000593612137 546727302 /nfs/dbraw/zinc/72/73/02/546727302.db2.gz CNOHITVDDNTCTL-AWEZNQCLSA-N -1 1 365.411 0.938 10 0 FCAEMM COC(=O)C1([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CCSCC1 ZINC000594766751 546821599 /nfs/dbraw/zinc/82/15/99/546821599.db2.gz VYQDZVBFQAOGKZ-VXGBXAGGSA-N -1 1 367.489 0.396 10 0 FCAEMM C[C@](O)(CO)CNC(=O)c1ccc(I)c([O-])c1 ZINC000235711774 547021027 /nfs/dbraw/zinc/02/10/27/547021027.db2.gz HNTHZEINDJAOHR-LLVKDONJSA-N -1 1 351.140 0.470 10 0 FCAEMM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000804717107 663233480 /nfs/dbraw/zinc/23/34/80/663233480.db2.gz ZNJPEOQTASZJFM-UHFFFAOYSA-N -1 1 370.427 0.678 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)CCc2ccccc2F)COC1 ZINC000903174828 665982526 /nfs/dbraw/zinc/98/25/26/665982526.db2.gz KLRFAQMSRAHLQI-UHFFFAOYSA-N -1 1 351.421 0.101 10 0 FCAEMM COC(=O)c1coc(-c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)c1 ZINC000904949276 665994597 /nfs/dbraw/zinc/99/45/97/665994597.db2.gz OJCFSLUJZASFCN-UHFFFAOYSA-N -1 1 373.387 0.961 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)c(Br)n1C ZINC000311540449 664110998 /nfs/dbraw/zinc/11/09/98/664110998.db2.gz TVMKLBFQCRZTSR-ULCDLSAGSA-N -1 1 372.310 0.926 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)c1Cl ZINC000314193300 664187092 /nfs/dbraw/zinc/18/70/92/664187092.db2.gz GVQXDOCBPJHJRE-UHFFFAOYSA-N -1 1 364.836 0.199 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC[S@](C)=O)c(F)cc1Cl ZINC000795844389 665111885 /nfs/dbraw/zinc/11/18/85/665111885.db2.gz IYROYAXMUUDYDZ-FQEVSTJZSA-N -1 1 357.812 0.923 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCOC2=O)o1 ZINC000728276288 665135810 /nfs/dbraw/zinc/13/58/10/665135810.db2.gz GBKOYTBLLJZQGF-UHFFFAOYSA-N -1 1 373.431 0.929 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000866942816 665227384 /nfs/dbraw/zinc/22/73/84/665227384.db2.gz YUYIGUQPNUHKQK-XMHCIUCPSA-N -1 1 367.537 0.972 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867521290 665245533 /nfs/dbraw/zinc/24/55/33/665245533.db2.gz UXRTUIOWKMCZTQ-JTQLQIEISA-N -1 1 372.216 0.752 10 0 FCAEMM CC(N[C@@H](C)c1ccc(-n2cncn2)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054501530 665301693 /nfs/dbraw/zinc/30/16/93/665301693.db2.gz WJCDXARUEGZGAG-VIFPVBQESA-N -1 1 356.411 0.723 10 0 FCAEMM O=C(C[C@H](O)C(Cl)(Cl)Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907470508 666132202 /nfs/dbraw/zinc/13/22/02/666132202.db2.gz BHTDGOZYTFFJOQ-RITPCOANSA-N -1 1 360.654 0.937 10 0 FCAEMM O=C(C[C@H](O)C(Cl)(Cl)Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907470509 666132270 /nfs/dbraw/zinc/13/22/70/666132270.db2.gz BHTDGOZYTFFJOQ-WDSKDSINSA-N -1 1 360.654 0.937 10 0 FCAEMM O=C([O-])[C@H](CF)NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000908822011 666219342 /nfs/dbraw/zinc/21/93/42/666219342.db2.gz SBBQVBULQRMKMF-HNNXBMFYSA-N -1 1 352.410 0.921 10 0 FCAEMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@](C)(O)c1cccc(F)c1 ZINC000921399688 666445253 /nfs/dbraw/zinc/44/52/53/666445253.db2.gz CFTUZQWPPNIKIS-QKVFXAPYSA-N -1 1 353.441 0.442 10 0 FCAEMM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912490131 666445807 /nfs/dbraw/zinc/44/58/07/666445807.db2.gz UGALUQHLMPZOHH-MRVPVSSYSA-N -1 1 364.324 0.995 10 0 FCAEMM CNC(=O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913857007 666658019 /nfs/dbraw/zinc/65/80/19/666658019.db2.gz VDKGQMVVQVNCTA-UHFFFAOYSA-N -1 1 355.185 0.621 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ncccc1Br ZINC000921613541 667144368 /nfs/dbraw/zinc/14/43/68/667144368.db2.gz IRWORIATCMEUDA-YWVKMMECSA-N -1 1 363.233 0.926 10 0 FCAEMM CCO[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)CN(C)C ZINC000921636454 667161134 /nfs/dbraw/zinc/16/11/34/667161134.db2.gz OWIHSBXBQHCQED-WHEQGISXSA-N -1 1 363.505 0.944 10 0 FCAEMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(C)C ZINC000805043457 667556949 /nfs/dbraw/zinc/55/69/49/667556949.db2.gz SWHMKAATVMQSAD-QMMMGPOBSA-N -1 1 367.269 0.540 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3nnn(C)c3C2)c1C(F)(F)F ZINC000922039426 667572836 /nfs/dbraw/zinc/57/28/36/667572836.db2.gz REMLMFKNVGFKQA-SSDOTTSWSA-N -1 1 364.353 0.403 10 0 FCAEMM Cn1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)nn1 ZINC000805060339 667593513 /nfs/dbraw/zinc/59/35/13/667593513.db2.gz ZSPDINXYPSCKTA-UHFFFAOYSA-N -1 1 366.371 0.290 10 0 FCAEMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCCOC(C)=O)(C(=O)OC)C1(C)C ZINC000805072624 667614015 /nfs/dbraw/zinc/61/40/15/667614015.db2.gz SHCWPFJNPLYHDL-SWLSCSKDSA-N -1 1 365.448 0.606 10 0 FCAEMM C[C@H](COC(=O)c1sccc1[N-]S(C)(=O)=O)CS(C)(=O)=O ZINC000758000062 667740758 /nfs/dbraw/zinc/74/07/58/667740758.db2.gz OPMIVNZFYYGGDD-MRVPVSSYSA-N -1 1 355.459 0.957 10 0 FCAEMM CN1CCN(c2cc(C(=O)NCc3nc(C(=O)[O-])cs3)ccn2)CC1 ZINC000738023594 667898480 /nfs/dbraw/zinc/89/84/80/667898480.db2.gz ZWKIDEVAWJJCRD-UHFFFAOYSA-N -1 1 361.427 0.918 10 0 FCAEMM C[C@H](CN(C)C(=O)C=Cc1ccc(NS(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000774001861 668117439 /nfs/dbraw/zinc/11/74/39/668117439.db2.gz ISBJQSQDSWGKBT-DHHDDZJSSA-N -1 1 364.431 0.847 10 0 FCAEMM C[C@H](CN(C)C(=O)C=Cc1ccc(NS(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000774001863 668117589 /nfs/dbraw/zinc/11/75/89/668117589.db2.gz ISBJQSQDSWGKBT-OALRPVAKSA-N -1 1 364.431 0.847 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(-c3cnn(C)c3)no2)co1 ZINC000769123558 668117834 /nfs/dbraw/zinc/11/78/34/668117834.db2.gz PFFBZJXSGJQOGO-UHFFFAOYSA-N -1 1 366.355 0.933 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC[S@@](=O)CC)CC2)n1 ZINC000770682017 668210136 /nfs/dbraw/zinc/21/01/36/668210136.db2.gz LQCLZRSECDWSCK-VWLOTQADSA-N -1 1 371.463 0.639 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)co1 ZINC000772922293 668335756 /nfs/dbraw/zinc/33/57/56/668335756.db2.gz DPKBLILTMHOZAF-QWRGUYRKSA-N -1 1 373.431 0.784 10 0 FCAEMM C[C@H]1CCN(CC(=O)NC(=O)NC2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805786500 668727267 /nfs/dbraw/zinc/72/72/67/668727267.db2.gz XMCCAVLOXVPRMS-AUTRQRHGSA-N -1 1 364.368 0.752 10 0 FCAEMM C[C@H]1CCN(CC(=O)N2CCNC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788427 668734107 /nfs/dbraw/zinc/73/41/07/668734107.db2.gz FUWIYEIBVLDRDU-QXEWZRGKSA-N -1 1 350.341 0.316 10 0 FCAEMM CC(C)[C@H](OC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)N1CCOCC1 ZINC000786493262 668763210 /nfs/dbraw/zinc/76/32/10/668763210.db2.gz LBBKGVSLRWJMCY-ZDUSSCGKSA-N -1 1 352.391 0.288 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)cn2)o1 ZINC000793389003 668926452 /nfs/dbraw/zinc/92/64/52/668926452.db2.gz LVCBJJZVVRFZLY-UHFFFAOYSA-N -1 1 354.340 0.726 10 0 FCAEMM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2[nH]cnc2cc1F ZINC000820645963 669112112 /nfs/dbraw/zinc/11/21/12/669112112.db2.gz RVDFSGFYSFSAOJ-YUMQZZPRSA-N -1 1 357.363 0.959 10 0 FCAEMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCCN(c2ncccn2)C1 ZINC000820786884 669127272 /nfs/dbraw/zinc/12/72/72/669127272.db2.gz ZFSOJLGNPOKWHV-GFCCVEGCSA-N -1 1 359.477 0.542 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000867022174 669208799 /nfs/dbraw/zinc/20/87/99/669208799.db2.gz PESUHKWGLVZZIY-FATZIPQQSA-N -1 1 373.500 0.987 10 0 FCAEMM Cn1cc(C[C@@H](O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn1 ZINC000799018946 669275820 /nfs/dbraw/zinc/27/58/20/669275820.db2.gz DXAJFODRNNNCHX-GFCCVEGCSA-N -1 1 362.352 0.241 10 0 FCAEMM O=S(=O)([N-]CCC1CCS(=O)(=O)CC1)c1ccc(F)nc1F ZINC000867041657 669504635 /nfs/dbraw/zinc/50/46/35/669504635.db2.gz QKPAWKXJQWTSFL-UHFFFAOYSA-N -1 1 354.400 0.853 10 0 FCAEMM CCn1cncc1S(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810090005 669663473 /nfs/dbraw/zinc/66/34/73/669663473.db2.gz KCXQICYEKSIMOF-JTQLQIEISA-N -1 1 368.381 0.982 10 0 FCAEMM CCn1cncc1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810090007 669663822 /nfs/dbraw/zinc/66/38/22/669663822.db2.gz KCXQICYEKSIMOF-SNVBAGLBSA-N -1 1 368.381 0.982 10 0 FCAEMM O=C([N-]C[C@H]1CCCN(C(=O)NC2COCCOC2)C1)C(F)(F)F ZINC000813816654 669855592 /nfs/dbraw/zinc/85/55/92/669855592.db2.gz FGZRAXOCWFJZQZ-SNVBAGLBSA-N -1 1 353.341 0.502 10 0 FCAEMM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1nc(Br)ccc1[O-] ZINC000816952818 669989840 /nfs/dbraw/zinc/98/98/40/669989840.db2.gz SGHNFJUDCBTMMO-ZCFIWIBFSA-N -1 1 353.180 0.713 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F ZINC000867496481 670134682 /nfs/dbraw/zinc/13/46/82/670134682.db2.gz DENWTGKVUYHUPT-SFHVURJKSA-N -1 1 358.429 0.640 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867264819 670600052 /nfs/dbraw/zinc/60/00/52/670600052.db2.gz YFHPFHXYRJZXCK-VIFPVBQESA-N -1 1 369.415 0.452 10 0 FCAEMM Cn1ncc(CCC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC000867307652 670746933 /nfs/dbraw/zinc/74/69/33/670746933.db2.gz UTRWDSJCVGEHDM-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000842900250 670753493 /nfs/dbraw/zinc/75/34/93/670753493.db2.gz GOKAEQORFBKYHL-UHFFFAOYSA-N -1 1 360.298 0.564 10 0 FCAEMM COCCOc1ncccc1C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015359 670766620 /nfs/dbraw/zinc/76/66/20/670766620.db2.gz HGFAZFYQGZFTFP-UHFFFAOYSA-N -1 1 371.459 0.651 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)CCC1 ZINC000843014495 670766776 /nfs/dbraw/zinc/76/67/76/670766776.db2.gz MIOJKHKVDQVCQE-ZDUSSCGKSA-N -1 1 357.476 0.318 10 0 FCAEMM CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CC1=O ZINC000843017889 670768141 /nfs/dbraw/zinc/76/81/41/670768141.db2.gz CXHGXOMXQCGSKG-ZDUSSCGKSA-N -1 1 359.492 0.421 10 0 FCAEMM CCOC(=O)C1CCC(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC000843790181 670855154 /nfs/dbraw/zinc/85/51/54/670855154.db2.gz CXIAPJAVULLCND-BPCQOVAHSA-N -1 1 351.407 0.859 10 0 FCAEMM CN1CC[C@@H](C(=O)Nc2nc(Br)ccc2[O-])S1(=O)=O ZINC000843867337 670864395 /nfs/dbraw/zinc/86/43/95/670864395.db2.gz WLCRTSSQLFIDDK-ZETCQYMHSA-N -1 1 350.194 0.522 10 0 FCAEMM O=C([N-]C[C@@H]1CCCN(C(=O)NCC[C@@]2(O)CCOC2)C1)C(F)(F)F ZINC000845455605 671006330 /nfs/dbraw/zinc/00/63/30/671006330.db2.gz SLBVWNHLZODXFK-SMDDNHRTSA-N -1 1 367.368 0.628 10 0 FCAEMM C[C@@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)NC(N)=O ZINC000848077760 671249022 /nfs/dbraw/zinc/24/90/22/671249022.db2.gz NIGJKRFGDMJAGV-KBIXCLLPSA-N -1 1 352.357 0.737 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCC1 ZINC000849231355 671323572 /nfs/dbraw/zinc/32/35/72/671323572.db2.gz CAFLTFMHVVZIDG-ZJUUUORDSA-N -1 1 372.365 0.712 10 0 FCAEMM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000849374068 671330247 /nfs/dbraw/zinc/33/02/47/671330247.db2.gz MSVUQMNGFCXZEK-UHFFFAOYSA-N -1 1 372.266 0.062 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(Br)o1 ZINC000849426980 671341939 /nfs/dbraw/zinc/34/19/39/671341939.db2.gz FUJRYAUVQWVURI-LLVKDONJSA-N -1 1 370.221 0.488 10 0 FCAEMM O=C(CC1(n2cnnn2)CCOCC1)OCCC[N-]C(=O)C(F)(F)F ZINC000850234028 671377169 /nfs/dbraw/zinc/37/71/69/671377169.db2.gz ZYFGXVXGKHYUJW-UHFFFAOYSA-N -1 1 365.312 0.181 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccnn2C2CCOCC2)CCC1 ZINC000851105098 671428215 /nfs/dbraw/zinc/42/82/15/671428215.db2.gz NJUCLBJDGCPGQI-UHFFFAOYSA-N -1 1 370.475 0.779 10 0 FCAEMM CNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC000852521935 671511876 /nfs/dbraw/zinc/51/18/76/671511876.db2.gz WJGSLOFWYQVLCQ-ONGXEEELSA-N -1 1 367.368 0.586 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)COC1 ZINC000903174428 675918003 /nfs/dbraw/zinc/91/80/03/675918003.db2.gz DMXDADYIUKYHOE-UHFFFAOYSA-N -1 1 369.411 0.857 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NCC[S@](=O)CC(F)(F)F)co1 ZINC000855277317 671634370 /nfs/dbraw/zinc/63/43/70/671634370.db2.gz YPUFUOHPNDYRIS-NRFANRHFSA-N -1 1 362.351 0.229 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@H](O)Cc2cnn(C)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417354 671687448 /nfs/dbraw/zinc/68/74/48/671687448.db2.gz RLRXQEPFJBCCNH-ADEWGFFLSA-N -1 1 362.352 0.239 10 0 FCAEMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858883912 671780774 /nfs/dbraw/zinc/78/07/74/671780774.db2.gz YTJDLHACVHYAMH-LURJTMIESA-N -1 1 354.201 0.786 10 0 FCAEMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858897883 671781372 /nfs/dbraw/zinc/78/13/72/671781372.db2.gz DTSCLXKCFNTADW-ZETCQYMHSA-N -1 1 366.212 0.930 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)C(=O)OCC(C)C)on1 ZINC000859087659 671792695 /nfs/dbraw/zinc/79/26/95/671792695.db2.gz PEGNTOAUCXBJGB-JTQLQIEISA-N -1 1 362.404 0.858 10 0 FCAEMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(N)=O ZINC000859097873 671793507 /nfs/dbraw/zinc/79/35/07/671793507.db2.gz SCPKANHTUBTKMO-ZCFIWIBFSA-N -1 1 370.200 0.152 10 0 FCAEMM COC[C@H](C[N-]S(=O)(=O)c1ccc(Br)nc1F)OC ZINC000859100853 671793600 /nfs/dbraw/zinc/79/36/00/671793600.db2.gz KCGQGJPPYNAGOL-ZETCQYMHSA-N -1 1 357.201 0.923 10 0 FCAEMM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cccc(F)c1F ZINC000903541983 675941502 /nfs/dbraw/zinc/94/15/02/675941502.db2.gz OXGZIPDEAXCAOF-VIFPVBQESA-N -1 1 354.400 0.020 10 0 FCAEMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859147369 671796421 /nfs/dbraw/zinc/79/64/21/671796421.db2.gz ACYDTGSGYZIYPG-RXMQYKEDSA-N -1 1 366.168 0.019 10 0 FCAEMM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859148996 671796464 /nfs/dbraw/zinc/79/64/64/671796464.db2.gz PAOPFQRKDXOHJJ-ZETCQYMHSA-N -1 1 366.212 0.882 10 0 FCAEMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CCC(=O)N1 ZINC000859185660 671798949 /nfs/dbraw/zinc/79/89/49/671798949.db2.gz RFZSMJFQJMELIE-NSHDSACASA-N -1 1 366.212 0.930 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000859208455 671800971 /nfs/dbraw/zinc/80/09/71/671800971.db2.gz NNDFQNBXFPLMGH-UHFFFAOYSA-N -1 1 366.342 0.440 10 0 FCAEMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859346511 671818110 /nfs/dbraw/zinc/81/81/10/671818110.db2.gz SZGSSQIWNZDAGR-LURJTMIESA-N -1 1 371.184 0.186 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1=O ZINC000860230239 671876088 /nfs/dbraw/zinc/87/60/88/671876088.db2.gz FESLZXQHOSBOON-ONGXEEELSA-N -1 1 358.370 0.747 10 0 FCAEMM O=C(c1c(F)cncc1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000865595311 672246127 /nfs/dbraw/zinc/24/61/27/672246127.db2.gz HWWCMCMXUHEJDO-MRVPVSSYSA-N -1 1 357.143 0.710 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCN1C[C@H]2CCCCN2C1=O ZINC000867530017 672331827 /nfs/dbraw/zinc/33/18/27/672331827.db2.gz RCKIGYYXSYJZHR-GFCCVEGCSA-N -1 1 366.509 0.619 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCN1C[C@@H]2CCCCN2C1=O ZINC000867529085 672331849 /nfs/dbraw/zinc/33/18/49/672331849.db2.gz HIOGVHRJAPUYDB-WIUDPPPLSA-N -1 1 352.482 0.229 10 0 FCAEMM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867556496 672336494 /nfs/dbraw/zinc/33/64/94/672336494.db2.gz BJWIUUHOBHTHRJ-QMMMGPOBSA-N -1 1 353.322 0.979 10 0 FCAEMM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H](O)C(F)(F)F ZINC000867646062 672352407 /nfs/dbraw/zinc/35/24/07/672352407.db2.gz CBTHKYGDKQDBDI-INEUFUBQSA-N -1 1 366.159 0.773 10 0 FCAEMM O=C([C@H]1OCCO[C@H]1C(F)(F)F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000868009631 672383042 /nfs/dbraw/zinc/38/30/42/672383042.db2.gz BTCCPENISDOREQ-XHNCKOQMSA-N -1 1 351.281 0.828 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC[C@]2(O)CCOC2)C1 ZINC000868746707 672409256 /nfs/dbraw/zinc/40/92/56/672409256.db2.gz NDBPLOXDECDRRQ-STQMWFEESA-N -1 1 353.341 0.380 10 0 FCAEMM COC[C@H](CCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC000868762398 672409683 /nfs/dbraw/zinc/40/96/83/672409683.db2.gz ZKODKJDAVKDETD-GWCFXTLKSA-N -1 1 355.357 0.890 10 0 FCAEMM O=C(c1ccc(I)cc1[O-])N1CC2(C1)CNC(=O)O2 ZINC000868926821 672414913 /nfs/dbraw/zinc/41/49/13/672414913.db2.gz FJGVSWLCMVPUCC-UHFFFAOYSA-N -1 1 374.134 0.931 10 0 FCAEMM C[C@@H]1CCN(C(=O)C2(N3CCOCC3)CC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000869312993 672427791 /nfs/dbraw/zinc/42/77/91/672427791.db2.gz YDWNNKIEKBFOPP-NEPJUHHUSA-N -1 1 363.380 0.767 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000869340567 672428303 /nfs/dbraw/zinc/42/83/03/672428303.db2.gz BLDIAJCRCBTHPM-UHFFFAOYSA-N -1 1 352.192 0.625 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)c1cccn(C2CC2)c1=O ZINC000869990650 672459529 /nfs/dbraw/zinc/45/95/29/672459529.db2.gz SCYDWRUFEGRUSV-UHFFFAOYSA-N -1 1 360.288 0.978 10 0 FCAEMM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000869993278 672459950 /nfs/dbraw/zinc/45/99/50/672459950.db2.gz ZSPWERXVIHBGIO-MEBBXXQBSA-N -1 1 350.400 0.811 10 0 FCAEMM O=C(Cn1cccnc1=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870160161 672474168 /nfs/dbraw/zinc/47/41/68/672474168.db2.gz KIUZGRKWGAPBLM-UHFFFAOYSA-N -1 1 362.817 0.947 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(C(F)(F)F)C2)co1 ZINC000871440527 672551233 /nfs/dbraw/zinc/55/12/33/672551233.db2.gz SJNMZIZWJRVEQS-NSHDSACASA-N -1 1 356.322 0.981 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)c3ncccc3C2)co1 ZINC000872306880 672612199 /nfs/dbraw/zinc/61/21/99/672612199.db2.gz ZRUVBBIVUJAWNY-UHFFFAOYSA-N -1 1 350.400 0.675 10 0 FCAEMM CC(=O)N1CCC(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872447107 672619023 /nfs/dbraw/zinc/61/90/23/672619023.db2.gz CMGIZAKMUOFYAY-NRFANRHFSA-N -1 1 353.510 0.976 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1Cl ZINC000800197521 673422254 /nfs/dbraw/zinc/42/22/54/673422254.db2.gz JLYIDMBNMHHOGE-DTWKUNHWSA-N -1 1 370.884 0.070 10 0 FCAEMM Cc1noc(C)c1CCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886096705 673557923 /nfs/dbraw/zinc/55/79/23/673557923.db2.gz KBTLLKBEQZWHFM-KRWDZBQOSA-N -1 1 351.403 0.612 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000926679097 673839545 /nfs/dbraw/zinc/83/95/45/673839545.db2.gz WPPUKWINMBPVCU-PUHVVEEASA-N -1 1 365.352 0.643 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000927962173 673894590 /nfs/dbraw/zinc/89/45/90/673894590.db2.gz WRUVVPWGYROKQX-RISCZKNCSA-N -1 1 353.394 0.772 10 0 FCAEMM Cn1nccc1CCNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930263302 674008946 /nfs/dbraw/zinc/00/89/46/674008946.db2.gz KGIUZEOJAZLCFB-UHFFFAOYSA-N -1 1 352.341 0.422 10 0 FCAEMM CNS(=O)(=O)CCCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325223 675773559 /nfs/dbraw/zinc/77/35/59/675773559.db2.gz KHFBHBICBWHPGX-UHFFFAOYSA-N -1 1 357.363 0.813 10 0 FCAEMM CC1CC(C(=O)N2CC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C)C1 ZINC001719628972 1170846736 /nfs/dbraw/zinc/84/67/36/1170846736.db2.gz BCKDVQFVRQIFAG-HHTDUIENSA-N -1 1 362.430 0.078 10 0 FCAEMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCNC(=O)C3)n[nH]2)cc1C ZINC000152574347 1197486411 /nfs/dbraw/zinc/48/64/11/1197486411.db2.gz RWBWBFWAIKJEJP-ZDUSSCGKSA-N -1 1 355.398 0.981 10 0 FCAEMM COc1cc2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)[nH]c2cc1OC ZINC000735657809 1197871933 /nfs/dbraw/zinc/87/19/33/1197871933.db2.gz YVQRNNPTPAAZPP-AWEZNQCLSA-N -1 1 358.358 0.912 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2CN(CC(F)(F)F)C2)cc1 ZINC000786855140 1200853770 /nfs/dbraw/zinc/85/37/70/1200853770.db2.gz YYXLJCHAZJBMFX-UHFFFAOYSA-N -1 1 374.315 0.989 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000787663553 1200897792 /nfs/dbraw/zinc/89/77/92/1200897792.db2.gz WKKJWNIACRHCNY-GHMZBOCLSA-N -1 1 366.418 0.800 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000791487670 1201146266 /nfs/dbraw/zinc/14/62/66/1201146266.db2.gz AXYWQBLWVFGOAK-LBPRGKRZSA-N -1 1 367.352 0.172 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc3nc(C)cc(=O)n3[n-]1)C2=O ZINC001129520655 1201340958 /nfs/dbraw/zinc/34/09/58/1201340958.db2.gz QDLIZWZMTYANIZ-UHFFFAOYSA-N -1 1 366.337 0.269 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@@H](Cc4ccncc4)C3)ccnc1-2 ZINC000806966458 1202796373 /nfs/dbraw/zinc/79/63/73/1202796373.db2.gz HLRRTFJSSVLMBJ-AWEZNQCLSA-N -1 1 364.409 0.767 10 0 FCAEMM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807318799 1202820666 /nfs/dbraw/zinc/82/06/66/1202820666.db2.gz JXYHXQAEHWJCJG-KWQFWETISA-N -1 1 371.319 0.459 10 0 FCAEMM CCCc1cc(=O)n2[n-]c(NC(=O)Cn3ncc4cccnc43)nc2n1 ZINC001131778392 1202933287 /nfs/dbraw/zinc/93/32/87/1202933287.db2.gz LPNXHPKWNYFMCI-UHFFFAOYSA-N -1 1 352.358 0.754 10 0 FCAEMM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2nn[n-]n2)C1=O ZINC001135917929 1203105967 /nfs/dbraw/zinc/10/59/67/1203105967.db2.gz BJUAPNJRVHUPQN-KRWDZBQOSA-N -1 1 371.401 0.497 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818656895 1203142716 /nfs/dbraw/zinc/14/27/16/1203142716.db2.gz MPGDSBYYNZHKKT-ZDUSSCGKSA-N -1 1 373.413 0.951 10 0 FCAEMM CC(C)C[C@@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000818656895 1203142717 /nfs/dbraw/zinc/14/27/17/1203142717.db2.gz MPGDSBYYNZHKKT-ZDUSSCGKSA-N -1 1 373.413 0.951 10 0 FCAEMM C[C@@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843939475 1203326433 /nfs/dbraw/zinc/32/64/33/1203326433.db2.gz WLIQNKAUKRXPSX-OLZOCXBDSA-N -1 1 365.430 0.753 10 0 FCAEMM CCO[N-]C(=O)CNC(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000845552053 1204532365 /nfs/dbraw/zinc/53/23/65/1204532365.db2.gz YFTWZLSPVUDLKV-UHFFFAOYSA-N -1 1 364.450 0.090 10 0 FCAEMM Cc1c(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)nnn1-c1ccc(C)cc1 ZINC001175552115 1206305890 /nfs/dbraw/zinc/30/58/90/1206305890.db2.gz AKRIZGXPNQVJTO-CYBMUJFWSA-N -1 1 352.402 0.956 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)=NO1 ZINC001175564102 1206306257 /nfs/dbraw/zinc/30/62/57/1206306257.db2.gz ZLHACSMPXHWQNC-ZJUUUORDSA-N -1 1 365.394 0.185 10 0 FCAEMM CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)CCn3cc[n-]c(=O)c3=O)C2)CC1 ZINC001489882955 1209101723 /nfs/dbraw/zinc/10/17/23/1209101723.db2.gz UUFNTZOAPFGUAT-QWHCGFSZSA-N -1 1 362.430 0.128 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCS(C)(=O)=O ZINC001490087620 1209249084 /nfs/dbraw/zinc/24/90/84/1209249084.db2.gz IXAVETWUPLVBGM-NEPJUHHUSA-N -1 1 369.443 0.331 10 0 FCAEMM C[C@H]1COC2(CCCC2)CN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000850682190 1209480797 /nfs/dbraw/zinc/48/07/97/1209480797.db2.gz GRUDSVMZYSATDW-LBPRGKRZSA-N -1 1 357.414 0.840 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000854342011 1209622479 /nfs/dbraw/zinc/62/24/79/1209622479.db2.gz DLDKYGNYKCRNKI-NSCUHMNNSA-N -1 1 357.370 0.949 10 0 FCAEMM CNC(=O)c1cncc(C=CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000854342010 1209622817 /nfs/dbraw/zinc/62/28/17/1209622817.db2.gz DLDKYGNYKCRNKI-IHWYPQMZSA-N -1 1 357.370 0.949 10 0 FCAEMM C[C@@H]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856415886 1209710562 /nfs/dbraw/zinc/71/05/62/1209710562.db2.gz IKUPDINCKKOCJI-UTLUCORTSA-N -1 1 374.367 0.126 10 0 FCAEMM O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000859278145 1209815316 /nfs/dbraw/zinc/81/53/16/1209815316.db2.gz LLKCDAPNHNECCE-SECBINFHSA-N -1 1 371.323 0.965 10 0 FCAEMM CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCO2)O1 ZINC000871739985 1210170086 /nfs/dbraw/zinc/17/00/86/1210170086.db2.gz GKGSVUDVLUVMRV-KBPBESRZSA-N -1 1 359.382 0.916 10 0 FCAEMM CCC[C@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC001137206534 1210727151 /nfs/dbraw/zinc/72/71/51/1210727151.db2.gz WCVZLZHLTIXRAR-MISXGVKJSA-N -1 1 373.335 0.968 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3coc4c3C(=O)NCC(C)(C)C4)nc2n1 ZINC001274692961 1211103654 /nfs/dbraw/zinc/10/36/54/1211103654.db2.gz IYRRZOQNZLLBBY-UHFFFAOYSA-N -1 1 370.369 0.883 10 0 FCAEMM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000545895831 1211425721 /nfs/dbraw/zinc/42/57/21/1211425721.db2.gz JCORHHRMTURYRM-CYBMUJFWSA-N -1 1 358.402 0.734 10 0 FCAEMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2)[n-]1 ZINC000928453072 1211602795 /nfs/dbraw/zinc/60/27/95/1211602795.db2.gz IEQAIJUGDGPQQC-MLGOLLRUSA-N -1 1 372.425 0.704 10 0 FCAEMM CCN1C[C@H](CNC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1=O ZINC000930942596 1211729382 /nfs/dbraw/zinc/72/93/82/1211729382.db2.gz WOHLNERQBCNAPH-JTQLQIEISA-N -1 1 369.368 0.314 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000778768827 1211920756 /nfs/dbraw/zinc/92/07/56/1211920756.db2.gz HOHLGTYBLWEZHB-NEPJUHHUSA-N -1 1 366.422 0.747 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3cccc(C(F)(F)F)c3=O)nc2n1 ZINC000726376980 1219645786 /nfs/dbraw/zinc/64/57/86/1219645786.db2.gz PDHGDMZWHTYQEO-UHFFFAOYSA-N -1 1 368.275 0.545 10 0 FCAEMM O=C(NCCNC(=O)[C@]12CCC[C@H]1OCC2)c1cnc(C2CC2)[n-]c1=O ZINC001491315001 1220109879 /nfs/dbraw/zinc/10/98/79/1220109879.db2.gz LSWNYSYLQOLBBL-ACJLOTCBSA-N -1 1 360.414 0.865 10 0 FCAEMM Cc1ccccc1-n1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nn1 ZINC001118854084 1221836334 /nfs/dbraw/zinc/83/63/34/1221836334.db2.gz CKFIPIFTAYLONJ-IBGZPJMESA-N -1 1 371.441 0.937 10 0 FCAEMM CCN1CCN(c2ccc(CNC(=O)N3CC4CC3(C(=O)[O-])C4)cn2)CC1 ZINC001119576727 1221935397 /nfs/dbraw/zinc/93/53/97/1221935397.db2.gz FQFNGJPOAISGHD-UHFFFAOYSA-N -1 1 373.457 0.982 10 0 FCAEMM O=C([O-])Cn1cccc(C(=O)NCCN2CCc3ccccc3C2)c1=O ZINC001119602498 1221939651 /nfs/dbraw/zinc/93/96/51/1221939651.db2.gz PCJDRFAEFGFOTI-UHFFFAOYSA-N -1 1 355.394 0.721 10 0 FCAEMM CSc1ncc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c(=O)[n-]1 ZINC001137568147 1222396607 /nfs/dbraw/zinc/39/66/07/1222396607.db2.gz BCVYSVLMOLTYLS-LLVKDONJSA-N -1 1 373.394 0.907 10 0 FCAEMM CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nc2ncnn21 ZINC001137730524 1222424493 /nfs/dbraw/zinc/42/44/93/1222424493.db2.gz NBSFDJUYUJGGAI-JTQLQIEISA-N -1 1 355.406 0.955 10 0 FCAEMM O=C(CCc1nc(-c2ccncc2)no1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001137730259 1222424852 /nfs/dbraw/zinc/42/48/52/1222424852.db2.gz DSVJTCARZGMBJY-GFCCVEGCSA-N -1 1 354.374 0.984 10 0 FCAEMM O=C(c1noc(-c2ccc(F)cc2)n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001138986377 1222533572 /nfs/dbraw/zinc/53/35/72/1222533572.db2.gz AMPPFYCMCOKFGV-UHFFFAOYSA-N -1 1 359.321 0.513 10 0 FCAEMM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1cnn(-c2ccncc2)c1 ZINC000835332039 1222600431 /nfs/dbraw/zinc/60/04/31/1222600431.db2.gz QOLQBNMOLSYECD-UHFFFAOYSA-N -1 1 372.410 0.993 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@H]2CCOC[C@H]2OC)cc1 ZINC000838012039 1222666916 /nfs/dbraw/zinc/66/69/16/1222666916.db2.gz OKLQJLSZXLFLDH-UKRRQHHQSA-N -1 1 365.382 0.936 10 0 FCAEMM CC(C)COC(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001143200078 1222869475 /nfs/dbraw/zinc/86/94/75/1222869475.db2.gz VWCSXNSVJYWVDZ-UHFFFAOYSA-N -1 1 364.402 0.454 10 0 FCAEMM CCC[C@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)c1nn[n-]n1 ZINC001149121539 1222879277 /nfs/dbraw/zinc/87/92/77/1222879277.db2.gz BRZSQXWBSWGYHC-NSHDSACASA-N -1 1 373.348 0.658 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847269930 1245332539 /nfs/dbraw/zinc/33/25/39/1245332539.db2.gz PRXOBFSUMUNVKW-LBPRGKRZSA-N -1 1 359.386 0.694 10 0 FCAEMM CO[C@H]1COCC[C@@H]1N(C)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000921927098 1245656125 /nfs/dbraw/zinc/65/61/25/1245656125.db2.gz HFRUUKNSBQVMBB-HOTGVXAUSA-N -1 1 372.425 0.945 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCCNC(=O)c3cccnc3)nc2n1 ZINC001329070399 1265686342 /nfs/dbraw/zinc/68/63/42/1265686342.db2.gz MMBZQVIYYMIOAZ-UHFFFAOYSA-N -1 1 355.358 0.270 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccnc(NC(=O)C4CC4)c3)nc2n1 ZINC001329072139 1265686653 /nfs/dbraw/zinc/68/66/53/1265686653.db2.gz ZKLOWZQSYFDRBU-UHFFFAOYSA-N -1 1 353.342 0.722 10 0 FCAEMM O=C([O-])[C@]1(N2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)CCOC1 ZINC001329206044 1265712106 /nfs/dbraw/zinc/71/21/06/1265712106.db2.gz FDVVDYYGGSVNEK-SFHVURJKSA-N -1 1 361.446 0.852 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC001329594009 1265788873 /nfs/dbraw/zinc/78/88/73/1265788873.db2.gz LZJUMDOSCJFBQE-VLEAKVRGSA-N -1 1 372.351 0.390 10 0 FCAEMM CCN1CC[C@@H](NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1=O ZINC001329974189 1265912790 /nfs/dbraw/zinc/91/27/90/1265912790.db2.gz HLQVRHGVAIQRFM-CQSZACIVSA-N -1 1 355.398 0.832 10 0 FCAEMM O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001520594492 1265944330 /nfs/dbraw/zinc/94/43/30/1265944330.db2.gz PFTVZOPHOOFTNL-IAGOWNOFSA-N -1 1 370.457 0.882 10 0 FCAEMM CC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001330564030 1266059924 /nfs/dbraw/zinc/05/99/24/1266059924.db2.gz PMRMPPKFFCQWDX-CQSZACIVSA-N -1 1 367.446 0.023 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H]3CCNC(=O)CC3)c(=O)c2c(OC)c1 ZINC001335295720 1259592125 /nfs/dbraw/zinc/59/21/25/1259592125.db2.gz KKKKCEOLEJYFBS-SNVBAGLBSA-N -1 1 359.382 0.944 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001252015604 1259773034 /nfs/dbraw/zinc/77/30/34/1259773034.db2.gz VKBUCKKUTSGQPS-CYBMUJFWSA-N -1 1 355.398 0.420 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1[C@H](C)CC[C@@H]1CO ZINC001262192576 1260274568 /nfs/dbraw/zinc/27/45/68/1260274568.db2.gz KCSLBHIXFQVAHY-TZMCWYRMSA-N -1 1 364.446 0.632 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001264175592 1260371515 /nfs/dbraw/zinc/37/15/15/1260371515.db2.gz QFCPFCRYONBJHC-SNPRPXQTSA-N -1 1 361.421 0.768 10 0 FCAEMM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1ncccc1[O-] ZINC001280553995 1261068412 /nfs/dbraw/zinc/06/84/12/1261068412.db2.gz KMHYVFVDEMILIJ-UONOGXRCSA-N -1 1 359.426 0.917 10 0 FCAEMM CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nnn(C)n2)c1)N(C)C ZINC001472098735 1261436495 /nfs/dbraw/zinc/43/64/95/1261436495.db2.gz HNVNSDPTHYNEJF-LBPRGKRZSA-N -1 1 367.435 0.290 10 0 FCAEMM COC(=O)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)[C@H]1CCOC1 ZINC001472398208 1261463662 /nfs/dbraw/zinc/46/36/62/1261463662.db2.gz CWDISKWFIFEQQS-UWVGGRQHSA-N -1 1 355.416 0.768 10 0 FCAEMM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NN1CC(=O)[N-]C1=O ZINC001472486282 1261471061 /nfs/dbraw/zinc/47/10/61/1261471061.db2.gz LGQJFPSERODWHN-UHFFFAOYSA-N -1 1 359.338 0.626 10 0 FCAEMM CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NN1CC(=O)[N-]C1=O ZINC001472486772 1261471089 /nfs/dbraw/zinc/47/10/89/1261471089.db2.gz XXLRRBIIRCTITO-CYBMUJFWSA-N -1 1 360.370 0.617 10 0 FCAEMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001284706849 1261779127 /nfs/dbraw/zinc/77/91/27/1261779127.db2.gz YBTIVQOMRWWDPK-OLZOCXBDSA-N -1 1 362.430 0.657 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCOCCNC(=O)c1ncccc1[O-] ZINC001287401144 1261953037 /nfs/dbraw/zinc/95/30/37/1261953037.db2.gz UUNKWZQYSYGKNY-CJNGLKHVSA-N -1 1 365.430 0.807 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001287838407 1261987379 /nfs/dbraw/zinc/98/73/79/1261987379.db2.gz MGOGQHJHXBQOTB-FRRDWIJNSA-N -1 1 362.430 0.703 10 0 FCAEMM CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1C ZINC001290582011 1262471928 /nfs/dbraw/zinc/47/19/28/1262471928.db2.gz GTWACKAPKNBFCS-BBBLOLIVSA-N -1 1 368.390 0.041 10 0 FCAEMM NC(=O)C1CCN(c2ccc(NC(=O)CCCc3nn[n-]n3)cc2)CC1 ZINC001292686641 1262699553 /nfs/dbraw/zinc/69/95/53/1262699553.db2.gz DVPFJQNQUNQVIK-UHFFFAOYSA-N -1 1 357.418 0.863 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC001294387211 1262732474 /nfs/dbraw/zinc/73/24/74/1262732474.db2.gz XHMFMHZPDQCVAM-AWEZNQCLSA-N -1 1 368.455 0.704 10 0 FCAEMM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC001302832568 1263060202 /nfs/dbraw/zinc/06/02/02/1263060202.db2.gz MXKJBGNLUUNIDD-SNVBAGLBSA-N -1 1 367.402 0.823 10 0 FCAEMM O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302936495 1263066227 /nfs/dbraw/zinc/06/62/27/1263066227.db2.gz ITJNLQFWYBJYNS-PUYPPJJSSA-N -1 1 371.319 0.327 10 0 FCAEMM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001303199485 1263082011 /nfs/dbraw/zinc/08/20/11/1263082011.db2.gz HUFHCHYOCFOIGN-HNNXBMFYSA-N -1 1 369.433 0.963 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)C1CCCCC1 ZINC001479159158 1263173724 /nfs/dbraw/zinc/17/37/24/1263173724.db2.gz XBKZKQUBKYXNGT-AWEZNQCLSA-N -1 1 350.419 0.995 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC(C2OCCO2)CC1 ZINC001479157292 1263173936 /nfs/dbraw/zinc/17/39/36/1263173936.db2.gz NJEIYMJTLCJIKJ-UHFFFAOYSA-N -1 1 364.402 0.549 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H](C)C(OC)OC)CC2)n1 ZINC001479156735 1263174008 /nfs/dbraw/zinc/17/40/08/1263174008.db2.gz LCRKRVCHUXETNJ-SNVBAGLBSA-N -1 1 369.422 0.878 10 0 FCAEMM CNC(=O)NC[C@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)CCO1 ZINC001479212270 1263179294 /nfs/dbraw/zinc/17/92/94/1263179294.db2.gz HUMIDNIWUFSSHX-NSHDSACASA-N -1 1 356.810 0.885 10 0 FCAEMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1)[C@@H]1C[C@H]1c1ccco1 ZINC001484188135 1263457951 /nfs/dbraw/zinc/45/79/51/1263457951.db2.gz QREGHOSIZJIFPM-VXGBXAGGSA-N -1 1 361.402 0.662 10 0 FCAEMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001486892046 1263559017 /nfs/dbraw/zinc/55/90/17/1263559017.db2.gz PPZBEFWIHWAFRU-RSNWOKGLSA-N -1 1 360.414 0.673 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001318691687 1263599950 /nfs/dbraw/zinc/59/99/50/1263599950.db2.gz HJYVXGMYUIDPEY-CYBMUJFWSA-N -1 1 355.398 0.832 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC001319812490 1263734785 /nfs/dbraw/zinc/73/47/85/1263734785.db2.gz NOCGKHYJIIFZSC-CQSZACIVSA-N -1 1 358.450 0.551 10 0 FCAEMM Cc1nnccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001320100838 1263762659 /nfs/dbraw/zinc/76/26/59/1263762659.db2.gz OPUSMPSXULVAGP-UHFFFAOYSA-N -1 1 358.402 0.997 10 0 FCAEMM O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)c1 ZINC001321393843 1263951197 /nfs/dbraw/zinc/95/11/97/1263951197.db2.gz UBPARPXGYBURHE-ACJLOTCBSA-N -1 1 357.366 0.229 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001512880846 1264709555 /nfs/dbraw/zinc/70/95/55/1264709555.db2.gz CILJNJJWQXWNLC-CYZMBNFOSA-N -1 1 364.446 0.962 10 0 FCAEMM CC(C)COCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001512899437 1264722429 /nfs/dbraw/zinc/72/24/29/1264722429.db2.gz KMJLHUKJONZPDY-TZMCWYRMSA-N -1 1 351.403 0.151 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001325231610 1264819268 /nfs/dbraw/zinc/81/92/68/1264819268.db2.gz FFMGJDJMDWBXBW-OKILXGFUSA-N -1 1 356.382 0.721 10 0 FCAEMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001513002075 1264825249 /nfs/dbraw/zinc/82/52/49/1264825249.db2.gz SHZQSASDXZYTRJ-NJZAAPMLSA-N -1 1 359.382 0.561 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CC(C)(C)CO2)CC1 ZINC001333316808 1266576153 /nfs/dbraw/zinc/57/61/53/1266576153.db2.gz QOQCOSGHGKWMBH-OAHLLOKOSA-N -1 1 370.494 0.535 10 0 FCAEMM CN1CCN(C)[C@@H](CNC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])C1 ZINC001333318067 1266578250 /nfs/dbraw/zinc/57/82/50/1266578250.db2.gz PJPKQDMDBJCZKY-YJBOKZPZSA-N -1 1 366.437 0.757 10 0 FCAEMM Cn1cc(N2C[C@@H](C(=O)N=c3ccnc4n(C)[n-]cc3-4)CCC2=O)cn1 ZINC001524484750 1266710980 /nfs/dbraw/zinc/71/09/80/1266710980.db2.gz MNUVAEJUYUDXLH-NSHDSACASA-N -1 1 353.386 0.457 10 0 FCAEMM C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001527811363 1266926299 /nfs/dbraw/zinc/92/62/99/1266926299.db2.gz ZNEOGARLKOIIOZ-MRVPVSSYSA-N -1 1 350.814 0.794 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)c3cncc(N4CCCC4=O)c3)nc2n1 ZINC001530319669 1267103721 /nfs/dbraw/zinc/10/37/21/1267103721.db2.gz TXGZMNQNMVOUGG-UHFFFAOYSA-N -1 1 367.369 0.754 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)n1 ZINC001532455284 1267172233 /nfs/dbraw/zinc/17/22/33/1267172233.db2.gz QJJAGCMNSOFCPG-SNVBAGLBSA-N -1 1 360.374 0.702 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC3(CCC3)CO2)CC1 ZINC001334961156 1267250167 /nfs/dbraw/zinc/25/01/67/1267250167.db2.gz AGXFQRDVNQJWOK-HNNXBMFYSA-N -1 1 368.478 0.289 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001542089311 1267489035 /nfs/dbraw/zinc/48/90/35/1267489035.db2.gz JYNFURBMRUPSOF-UHFFFAOYSA-N -1 1 367.413 0.527 10 0 FCAEMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001542348580 1267494656 /nfs/dbraw/zinc/49/46/56/1267494656.db2.gz JUNDBCYSRZGCRG-GHMZBOCLSA-N -1 1 368.459 0.907 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cccc(OCCN2CCOCC2)c1 ZINC001542348684 1267495124 /nfs/dbraw/zinc/49/51/24/1267495124.db2.gz LTCRBLVKZBWERD-UHFFFAOYSA-N -1 1 360.418 0.160 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001543074035 1267522686 /nfs/dbraw/zinc/52/26/86/1267522686.db2.gz PGLFCSYQARHGEK-UHFFFAOYSA-N -1 1 364.431 0.233 10 0 FCAEMM COc1cccc(CCNC(=O)CNC(=O)c2ncccc2[O-])c1OC ZINC001543207244 1267531279 /nfs/dbraw/zinc/53/12/79/1267531279.db2.gz CAVZGFLKUMCFEI-UHFFFAOYSA-N -1 1 359.382 0.893 10 0 FCAEMM O=C(CCCc1nn[n-]n1)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC001543847250 1267562530 /nfs/dbraw/zinc/56/25/30/1267562530.db2.gz USPRCVCAYRBKDH-UHFFFAOYSA-N -1 1 363.809 0.751 10 0 FCAEMM CCC[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)COC1)c1nn[n-]n1 ZINC001545275391 1267610590 /nfs/dbraw/zinc/61/05/90/1267610590.db2.gz IVAONEBFYJNZKI-SNVBAGLBSA-N -1 1 354.411 0.841 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001546050203 1267634155 /nfs/dbraw/zinc/63/41/55/1267634155.db2.gz QEZWOWGZTDTUOJ-SNVBAGLBSA-N -1 1 352.416 0.289 10 0 FCAEMM Cc1nn(C)c(Br)c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001340015631 1268406141 /nfs/dbraw/zinc/40/61/41/1268406141.db2.gz BRQITQQUQQFXRI-UHFFFAOYSA-N -1 1 363.197 0.265 10 0 FCAEMM Cc1nn(C)c(Br)c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001340015631 1268406144 /nfs/dbraw/zinc/40/61/44/1268406144.db2.gz BRQITQQUQQFXRI-UHFFFAOYSA-N -1 1 363.197 0.265 10 0 FCAEMM Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc([O-])c(F)c2F)cn1C ZINC001556591505 1268871065 /nfs/dbraw/zinc/87/10/65/1268871065.db2.gz AHGZKJYWGFSPNR-UHFFFAOYSA-N -1 1 360.342 0.629 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001556806541 1268897423 /nfs/dbraw/zinc/89/74/23/1268897423.db2.gz MYSCASBTDBHYAB-SNVBAGLBSA-N -1 1 350.404 0.340 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 ZINC001556891045 1268902825 /nfs/dbraw/zinc/90/28/25/1268902825.db2.gz DMEXERUPAHQKTG-MRXNPFEDSA-N -1 1 369.443 0.791 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CCn2c(C)csc2=O)n[n-]1 ZINC001557439211 1268947656 /nfs/dbraw/zinc/94/76/56/1268947656.db2.gz BCDDHVBSAZJZNI-VIFPVBQESA-N -1 1 353.404 0.781 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCn2c(C)csc2=O)[n-]1 ZINC001557439211 1268947662 /nfs/dbraw/zinc/94/76/62/1268947662.db2.gz BCDDHVBSAZJZNI-VIFPVBQESA-N -1 1 353.404 0.781 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCn2c(C)csc2=O)n1 ZINC001557439211 1268947667 /nfs/dbraw/zinc/94/76/67/1268947667.db2.gz BCDDHVBSAZJZNI-VIFPVBQESA-N -1 1 353.404 0.781 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)n[n-]1 ZINC001557457034 1268949206 /nfs/dbraw/zinc/94/92/06/1268949206.db2.gz XGXUBUPEIRDIIN-PWSUYJOCSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)[n-]1 ZINC001557457034 1268949210 /nfs/dbraw/zinc/94/92/10/1268949210.db2.gz XGXUBUPEIRDIIN-PWSUYJOCSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)n1 ZINC001557457034 1268949218 /nfs/dbraw/zinc/94/92/18/1268949218.db2.gz XGXUBUPEIRDIIN-PWSUYJOCSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)n[n-]1 ZINC001557457033 1268949349 /nfs/dbraw/zinc/94/93/49/1268949349.db2.gz XGXUBUPEIRDIIN-JQWIXIFHSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)[n-]1 ZINC001557457033 1268949356 /nfs/dbraw/zinc/94/93/56/1268949356.db2.gz XGXUBUPEIRDIIN-JQWIXIFHSA-N -1 1 354.407 0.990 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](OCC)C2CCOCC2)n1 ZINC001557457033 1268949362 /nfs/dbraw/zinc/94/93/62/1268949362.db2.gz XGXUBUPEIRDIIN-JQWIXIFHSA-N -1 1 354.407 0.990 10 0 FCAEMM NS(=O)(=O)N1CCC(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001557716087 1268971462 /nfs/dbraw/zinc/97/14/62/1268971462.db2.gz VJNKAOFDSCFZLK-UHFFFAOYSA-N -1 1 365.411 0.649 10 0 FCAEMM NS(=O)(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001557716293 1268972091 /nfs/dbraw/zinc/97/20/91/1268972091.db2.gz YMIKTQPKRKVFJZ-UHFFFAOYSA-N -1 1 367.349 0.809 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001558026862 1269004446 /nfs/dbraw/zinc/00/44/46/1269004446.db2.gz YAFBCEMOMAGMIU-BFVZDQMLSA-N -1 1 365.352 0.469 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048269 1269011912 /nfs/dbraw/zinc/01/19/12/1269011912.db2.gz GHWXQFAFBRGXOD-JOYOIKCWSA-N -1 1 364.402 0.784 10 0 FCAEMM COC[C@H](NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nn[n-]n1 ZINC001558340043 1269067132 /nfs/dbraw/zinc/06/71/32/1269067132.db2.gz TXXBOASQRDCIKS-KCJUWKMLSA-N -1 1 366.328 0.335 10 0 FCAEMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565247027 1269458928 /nfs/dbraw/zinc/45/89/28/1269458928.db2.gz CBMNPUARUWEQSD-FZMZJTMJSA-N -1 1 350.419 0.947 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC(Cn2ccnn2)CC1 ZINC001565248217 1269459546 /nfs/dbraw/zinc/45/95/46/1269459546.db2.gz OKGAAPXZULANKV-UHFFFAOYSA-N -1 1 373.417 0.468 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCC[S@@](=O)Cc1ccccc1 ZINC001565588575 1269479181 /nfs/dbraw/zinc/47/91/81/1269479181.db2.gz JEHYZZOZSASOKI-RUZDIDTESA-N -1 1 361.423 0.582 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)nc2)o1 ZINC001566189069 1269620835 /nfs/dbraw/zinc/62/08/35/1269620835.db2.gz WIIVLQIMKZFPFW-UHFFFAOYSA-N -1 1 353.356 0.299 10 0 FCAEMM CCC[C@@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001566226933 1269624464 /nfs/dbraw/zinc/62/44/64/1269624464.db2.gz HCIGEYWYISCOBA-SNVBAGLBSA-N -1 1 354.411 0.253 10 0 FCAEMM COc1ccn2c(c1)ncc2C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001566777558 1269663364 /nfs/dbraw/zinc/66/33/64/1269663364.db2.gz FAKLDCJAEAEJCA-UHFFFAOYSA-N -1 1 362.367 0.948 10 0 FCAEMM CC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])N1CCO[C@@H](CC)C1 ZINC001566778109 1269664394 /nfs/dbraw/zinc/66/43/94/1269664394.db2.gz UFCQSPKPBFRYLY-SMDDNHRTSA-N -1 1 371.459 0.868 10 0 FCAEMM COC(=O)[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccc(O)cc1 ZINC001567355452 1269691469 /nfs/dbraw/zinc/69/14/69/1269691469.db2.gz XOMYFKBVVFWTKA-CQSZACIVSA-N -1 1 359.338 0.253 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(OC)c(F)c1 ZINC001567753101 1269705679 /nfs/dbraw/zinc/70/56/79/1269705679.db2.gz GJSZCDRCWQHIPT-CQSZACIVSA-N -1 1 351.338 0.701 10 0 FCAEMM O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001344282282 1270129267 /nfs/dbraw/zinc/12/92/67/1270129267.db2.gz FNSZJIFOQCDYON-RWMBFGLXSA-N -1 1 360.414 0.328 10 0 FCAEMM CC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001344638008 1270215198 /nfs/dbraw/zinc/21/51/98/1270215198.db2.gz LRAMEAJCKZJWOE-UKRRQHHQSA-N -1 1 364.446 0.470 10 0 FCAEMM C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001573264105 1270718139 /nfs/dbraw/zinc/71/81/39/1270718139.db2.gz FEBHYIIBYIGTJW-KJNTUJQNSA-N -1 1 358.402 0.493 10 0 FCAEMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001713732424 1287291890 /nfs/dbraw/zinc/29/18/90/1287291890.db2.gz FYATUSRNEQTICI-AEGPPILISA-N -1 1 363.462 0.901 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)Cn2c(C)cc(O)cc2=O)[n-]c1=O ZINC001603345777 1287359483 /nfs/dbraw/zinc/35/94/83/1287359483.db2.gz KNLVQBLVOPQPAN-LBPRGKRZSA-N -1 1 360.370 0.730 10 0 FCAEMM O=C(NCCCOCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ncccc1[O-] ZINC001718498653 1287510516 /nfs/dbraw/zinc/51/05/16/1287510516.db2.gz WXMGCGBFOJUVCM-NFAWXSAZSA-N -1 1 363.414 0.607 10 0 FCAEMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001582567715 1281752575 /nfs/dbraw/zinc/75/25/75/1281752575.db2.gz GFZSLFAJHISSFQ-MELADBBJSA-N -1 1 357.414 0.949 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n[n-]1 ZINC001584176613 1282140511 /nfs/dbraw/zinc/14/05/11/1282140511.db2.gz RJABYHFZVOHMFH-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[n-]1 ZINC001584176613 1282140524 /nfs/dbraw/zinc/14/05/24/1282140524.db2.gz RJABYHFZVOHMFH-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC001584176613 1282140533 /nfs/dbraw/zinc/14/05/33/1282140533.db2.gz RJABYHFZVOHMFH-SKDRFNHKSA-N -1 1 358.358 0.747 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC001631948729 1282143654 /nfs/dbraw/zinc/14/36/54/1282143654.db2.gz ORWPPJJYMJIUMT-VIFPVBQESA-N -1 1 371.353 0.425 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[n-]1 ZINC001584269741 1282147268 /nfs/dbraw/zinc/14/72/68/1282147268.db2.gz QVBSHUQIVQPTCV-CQSZACIVSA-N -1 1 357.388 0.414 10 0 FCAEMM CCCCCS(=O)(=O)CC(=O)N[C@H](C)c1n[n-]c(C(=O)OCC)n1 ZINC001632567602 1282186512 /nfs/dbraw/zinc/18/65/12/1282186512.db2.gz PKKSWSVJWTXRAA-SNVBAGLBSA-N -1 1 360.436 0.764 10 0 FCAEMM CCCCCS(=O)(=O)CC(=O)N[C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC001632567602 1282186514 /nfs/dbraw/zinc/18/65/14/1282186514.db2.gz PKKSWSVJWTXRAA-SNVBAGLBSA-N -1 1 360.436 0.764 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)n[n-]1 ZINC001632562350 1282186944 /nfs/dbraw/zinc/18/69/44/1282186944.db2.gz MAEGPMFYFCLQSF-QWRGUYRKSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)[n-]1 ZINC001632562350 1282186948 /nfs/dbraw/zinc/18/69/48/1282186948.db2.gz MAEGPMFYFCLQSF-QWRGUYRKSA-N -1 1 351.407 0.950 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)CC)n1 ZINC001632562350 1282186953 /nfs/dbraw/zinc/18/69/53/1282186953.db2.gz MAEGPMFYFCLQSF-QWRGUYRKSA-N -1 1 351.407 0.950 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001632722815 1282200632 /nfs/dbraw/zinc/20/06/32/1282200632.db2.gz XOMGBPBJJAMNSI-LKFCYVNXSA-N -1 1 373.456 0.245 10 0 FCAEMM O=C(c1cccn(CC(F)(F)F)c1=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001632775631 1282206703 /nfs/dbraw/zinc/20/67/03/1282206703.db2.gz MKRFGFJCXKAESL-SECBINFHSA-N -1 1 358.280 0.137 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC001585330391 1282222368 /nfs/dbraw/zinc/22/23/68/1282222368.db2.gz JRFPMRXEBFGKNF-ZDUSSCGKSA-N -1 1 360.414 0.567 10 0 FCAEMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001718761759 1287558073 /nfs/dbraw/zinc/55/80/73/1287558073.db2.gz JCJRZYVNMVOALI-SOUVJXGZSA-N -1 1 370.409 0.535 10 0 FCAEMM CCN(C1CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1)S(C)(=O)=O ZINC001585716247 1282240158 /nfs/dbraw/zinc/24/01/58/1282240158.db2.gz DGNFDSXRROMKIS-UHFFFAOYSA-N -1 1 374.488 0.665 10 0 FCAEMM COc1cc(OC)cc(C(=O)NCC(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001633586700 1282257529 /nfs/dbraw/zinc/25/75/29/1282257529.db2.gz NZQGOEXENFKXBS-UHFFFAOYSA-N -1 1 360.374 0.142 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001585924808 1282257675 /nfs/dbraw/zinc/25/76/75/1282257675.db2.gz PPSFGDWDOWUKKV-JTQLQIEISA-N -1 1 359.367 0.912 10 0 FCAEMM Nc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895486 1282282114 /nfs/dbraw/zinc/28/21/14/1282282114.db2.gz GMDWIISLRSXXSG-UHFFFAOYSA-N -1 1 356.308 0.925 10 0 FCAEMM O=C(c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1)N1CCOC[C@@H]1C(F)(F)F ZINC001634082143 1282295910 /nfs/dbraw/zinc/29/59/10/1282295910.db2.gz MTCBZGTWPBIWGJ-SNVBAGLBSA-N -1 1 358.276 0.670 10 0 FCAEMM O=C(c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1)N1CCOC[C@H]1C(F)(F)F ZINC001634082142 1282296733 /nfs/dbraw/zinc/29/67/33/1282296733.db2.gz MTCBZGTWPBIWGJ-JTQLQIEISA-N -1 1 358.276 0.670 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OC)co1 ZINC001634287687 1282315962 /nfs/dbraw/zinc/31/59/62/1282315962.db2.gz CNXIWPVAVOMJCN-WDEREUQCSA-N -1 1 360.388 0.028 10 0 FCAEMM COC[C@@H](NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c1nn[n-]n1 ZINC001634622170 1282339828 /nfs/dbraw/zinc/33/98/28/1282339828.db2.gz NEJNILLTQQAEOB-SNVBAGLBSA-N -1 1 372.307 0.747 10 0 FCAEMM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N(C)c2nn[n-]n2)CCOCC1 ZINC001587343500 1282348739 /nfs/dbraw/zinc/34/87/39/1282348739.db2.gz HPSSPXMKKYIRLI-JTQLQIEISA-N -1 1 354.411 0.873 10 0 FCAEMM CCC[C@@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001587597623 1282366635 /nfs/dbraw/zinc/36/66/35/1282366635.db2.gz JXCHOGOYSWKFGB-BZNIZROVSA-N -1 1 368.438 0.919 10 0 FCAEMM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cnncc1[O-] ZINC001634984560 1282369930 /nfs/dbraw/zinc/36/99/30/1282369930.db2.gz HHOLISACPXWLNL-VXGBXAGGSA-N -1 1 350.375 0.692 10 0 FCAEMM O=C(Cn1c(=O)[n-][nH]c1=O)NCC1(CN2CCOCC2)CCCCC1 ZINC001587844449 1282381616 /nfs/dbraw/zinc/38/16/16/1282381616.db2.gz JITHXZQZFQFLKP-UHFFFAOYSA-N -1 1 353.423 0.088 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001587906141 1282387827 /nfs/dbraw/zinc/38/78/27/1282387827.db2.gz FDOLSMVLBGQFMT-UONOGXRCSA-N -1 1 362.430 0.277 10 0 FCAEMM O=C(CCc1nn[n-]n1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC001588227999 1282410039 /nfs/dbraw/zinc/41/00/39/1282410039.db2.gz GXOWYIYCPNXXJV-SNVBAGLBSA-N -1 1 353.766 0.407 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CC(=O)NCCC1=CCCCC1 ZINC001635683552 1282425560 /nfs/dbraw/zinc/42/55/60/1282425560.db2.gz LXHSSXOYWXSSIQ-UHFFFAOYSA-N -1 1 364.402 0.975 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)o1 ZINC001635714117 1282426731 /nfs/dbraw/zinc/42/67/31/1282426731.db2.gz YNYWJMSXSQIGOX-LBPRGKRZSA-N -1 1 366.395 0.756 10 0 FCAEMM CCOC(=O)COCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001635786054 1282433544 /nfs/dbraw/zinc/43/35/44/1282433544.db2.gz SJBPWBWXVSBVJD-UHFFFAOYSA-N -1 1 374.397 0.791 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001636301178 1282480767 /nfs/dbraw/zinc/48/07/67/1282480767.db2.gz CWEFUJHKVLWDFW-JTQLQIEISA-N -1 1 374.488 0.523 10 0 FCAEMM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636321551 1282485989 /nfs/dbraw/zinc/48/59/89/1282485989.db2.gz FLZKELHIRPRDQT-ZDUSSCGKSA-N -1 1 363.418 0.454 10 0 FCAEMM CCO[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C1CCOCC1 ZINC001637110644 1282563968 /nfs/dbraw/zinc/56/39/68/1282563968.db2.gz IYVPUOUWOQYIJT-AWEZNQCLSA-N -1 1 358.416 0.810 10 0 FCAEMM C[C@@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC001637134914 1282566381 /nfs/dbraw/zinc/56/63/81/1282566381.db2.gz MOJOKLWWSQOROJ-SKDRFNHKSA-N -1 1 367.427 0.686 10 0 FCAEMM C[C@H](C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCC(=O)N1 ZINC001637134913 1282567531 /nfs/dbraw/zinc/56/75/31/1282567531.db2.gz MOJOKLWWSQOROJ-JOYOIKCWSA-N -1 1 367.427 0.686 10 0 FCAEMM C[C@@](O)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC001637891539 1282635975 /nfs/dbraw/zinc/63/59/75/1282635975.db2.gz ZBHGSQOACWVYFW-GOSISDBHSA-N -1 1 358.398 0.962 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CCN(CC(F)(F)F)CC1 ZINC001637997406 1282649287 /nfs/dbraw/zinc/64/92/87/1282649287.db2.gz TVBIPAMGWCKCOR-UHFFFAOYSA-N -1 1 364.324 0.995 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1nccc(C(F)(F)F)n1 ZINC001638117146 1282660174 /nfs/dbraw/zinc/66/01/74/1282660174.db2.gz WLWPYYCRSMFFJY-UHFFFAOYSA-N -1 1 355.276 0.642 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)co1 ZINC001638606281 1282709589 /nfs/dbraw/zinc/70/95/89/1282709589.db2.gz PZRSOSMZMGZYMP-KTSGXFQWSA-N -1 1 372.443 0.890 10 0 FCAEMM O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(I)c([O-])c1 ZINC001638746177 1282718250 /nfs/dbraw/zinc/71/82/50/1282718250.db2.gz MMMHKKYFMNGXOR-FJPPDTINSA-N -1 1 363.151 0.611 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C/CN1CCOCC1 ZINC001639311978 1282770066 /nfs/dbraw/zinc/77/00/66/1282770066.db2.gz WMXLOHYIGPXIAJ-CDBNLRSOSA-N -1 1 363.380 0.933 10 0 FCAEMM NS(=O)(=O)c1ccc(C2CCN(C(=O)c3cnncc3O)CC2)cc1 ZINC001639622829 1282798260 /nfs/dbraw/zinc/79/82/60/1282798260.db2.gz JBNYNHNDIUAIDE-UHFFFAOYSA-N -1 1 362.411 0.849 10 0 FCAEMM NS(=O)(=O)c1ccc(C2CCN(C(=O)c3cnncc3[O-])CC2)cc1 ZINC001639622829 1282798266 /nfs/dbraw/zinc/79/82/66/1282798266.db2.gz JBNYNHNDIUAIDE-UHFFFAOYSA-N -1 1 362.411 0.849 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccnc(N3CCCC3)n2)n[n-]1 ZINC001640225467 1282847042 /nfs/dbraw/zinc/84/70/42/1282847042.db2.gz OYFBLCGKEPCRFP-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccnc(N3CCCC3)n2)[n-]1 ZINC001640225467 1282847053 /nfs/dbraw/zinc/84/70/53/1282847053.db2.gz OYFBLCGKEPCRFP-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccnc(N3CCCC3)n2)n1 ZINC001640225467 1282847058 /nfs/dbraw/zinc/84/70/58/1282847058.db2.gz OYFBLCGKEPCRFP-SNVBAGLBSA-N -1 1 359.390 0.863 10 0 FCAEMM CS(=O)(=O)CC1CCC(NC(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001641387655 1282945400 /nfs/dbraw/zinc/94/54/00/1282945400.db2.gz ADUMWWRWVZXCFY-UHFFFAOYSA-N -1 1 369.443 0.237 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001641493114 1282956846 /nfs/dbraw/zinc/95/68/46/1282956846.db2.gz CRZYMJDBCLEOBN-VOTSOKGWSA-N -1 1 358.354 0.385 10 0 FCAEMM CSCC[C@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)c1nn[n-]n1 ZINC001641896634 1282979596 /nfs/dbraw/zinc/97/95/96/1282979596.db2.gz LWIUOPZVRCJFHL-BONVTDFDSA-N -1 1 362.415 0.900 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001642978970 1283051533 /nfs/dbraw/zinc/05/15/33/1283051533.db2.gz KMDXSDDZWOLNRR-AWEZNQCLSA-N -1 1 354.388 0.164 10 0 FCAEMM CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001702542890 1285714102 /nfs/dbraw/zinc/71/41/02/1285714102.db2.gz MQSDTLQULYNQPC-QWHCGFSZSA-N -1 1 364.446 0.374 10 0 FCAEMM CCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001702690209 1285788584 /nfs/dbraw/zinc/78/85/84/1285788584.db2.gz BTWYABYVIJXLEY-NEPJUHHUSA-N -1 1 369.443 0.331 10 0 FCAEMM C/C=C(/C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001703032212 1286063806 /nfs/dbraw/zinc/06/38/06/1286063806.db2.gz AZFOPZHBIGGNNZ-ZYPIPIONSA-N -1 1 370.413 0.495 10 0 FCAEMM Cc1cc(C)nc(-n2[n-]c(C(=O)N(Cc3nn[nH]n3)CC(C)C)cc2=O)n1 ZINC001593759039 1286214371 /nfs/dbraw/zinc/21/43/71/1286214371.db2.gz OUKQBUQCWOBANM-UHFFFAOYSA-N -1 1 371.405 0.384 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCN[C@H](c2ccc(F)cc2)C1 ZINC001594593694 1286231228 /nfs/dbraw/zinc/23/12/28/1286231228.db2.gz OVWOYSXCWGTCFK-AWEZNQCLSA-N -1 1 358.373 0.829 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492278 1286249899 /nfs/dbraw/zinc/24/98/99/1286249899.db2.gz IIRNWFAMKUZZOJ-SNVBAGLBSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492278 1286249906 /nfs/dbraw/zinc/24/99/06/1286249906.db2.gz IIRNWFAMKUZZOJ-SNVBAGLBSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CC1CS(=O)(=O)C1 ZINC001595492278 1286249911 /nfs/dbraw/zinc/24/99/11/1286249911.db2.gz IIRNWFAMKUZZOJ-SNVBAGLBSA-N -1 1 356.404 0.080 10 0 FCAEMM COC[C@H](NC(=O)c1ccc(S[C@H]2CCOC2=O)cc1)c1nn[n-]n1 ZINC001595889598 1286267698 /nfs/dbraw/zinc/26/76/98/1286267698.db2.gz SVVUVBAEFKXRBK-RYUDHWBXSA-N -1 1 363.399 0.725 10 0 FCAEMM O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595940964 1286273546 /nfs/dbraw/zinc/27/35/46/1286273546.db2.gz ICHHNOLCLVJLJJ-LBPRGKRZSA-N -1 1 368.397 0.948 10 0 FCAEMM CC(C)n1cnnc1SCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595948172 1286274380 /nfs/dbraw/zinc/27/43/80/1286274380.db2.gz KSMAGOPCOQQKBG-LLVKDONJSA-N -1 1 350.452 0.946 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[S@](C)=O ZINC001597082984 1286326873 /nfs/dbraw/zinc/32/68/73/1286326873.db2.gz CXRLIORYZUINPB-VWLOTQADSA-N -1 1 370.475 0.145 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)COCc2nnc(C)s2)[n-]c1=O ZINC001597281324 1286336242 /nfs/dbraw/zinc/33/62/42/1286336242.db2.gz KYYZNDLEALXUIJ-UHFFFAOYSA-N -1 1 353.404 0.919 10 0 FCAEMM CO[N-]C(=O)CNC(=O)c1cccc(I)c1O ZINC001598520344 1286396148 /nfs/dbraw/zinc/39/61/48/1286396148.db2.gz AFXSIDLMWUXLRG-UHFFFAOYSA-N -1 1 350.112 0.404 10 0 FCAEMM CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001736003703 1289118534 /nfs/dbraw/zinc/11/85/34/1289118534.db2.gz PHTVRZBSSSPYRZ-VXGBXAGGSA-N -1 1 360.418 0.765 10 0 FCAEMM O=C(CO[C@H]1CCOC1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001719444480 1288118692 /nfs/dbraw/zinc/11/86/92/1288118692.db2.gz CJFKQMNBPXTQBS-MJBXVCDLSA-N -1 1 363.414 0.607 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@H](C)OC ZINC001719487897 1288144518 /nfs/dbraw/zinc/14/45/18/1288144518.db2.gz ABXNPSJZTVQOSU-GZBFAFLISA-N -1 1 365.430 0.806 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001720180597 1288215332 /nfs/dbraw/zinc/21/53/32/1288215332.db2.gz KXKRURHYOMAQIV-GARJFASQSA-N -1 1 364.402 0.569 10 0 FCAEMM CCOCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)c1ccccc1F ZINC001607016671 1288592005 /nfs/dbraw/zinc/59/20/05/1288592005.db2.gz YGCMXGNBUUUWLD-JOCHJYFZSA-N -1 1 366.436 0.765 10 0 FCAEMM CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001734539757 1288657485 /nfs/dbraw/zinc/65/74/85/1288657485.db2.gz WXNQOYXHTMWDPX-BFHYXJOUSA-N -1 1 367.494 0.432 10 0 FCAEMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001735422071 1288737972 /nfs/dbraw/zinc/73/79/72/1288737972.db2.gz NXVJLORRNHHQRJ-QLFBSQMISA-N -1 1 370.409 0.535 10 0 FCAEMM CCCCCCOCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001735766518 1288886123 /nfs/dbraw/zinc/88/61/23/1288886123.db2.gz YOSNNNTWGWKLIE-UKRRQHHQSA-N -1 1 365.430 0.686 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NN3CC(=O)[N-]C3=O)CCC[C@H]12 ZINC001609793791 1289299294 /nfs/dbraw/zinc/29/92/94/1289299294.db2.gz WKSLLROKGNSHHE-MGPLVRAMSA-N -1 1 352.391 0.749 10 0 FCAEMM CNC(=O)N[C@H]1CCN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC001611253875 1289639146 /nfs/dbraw/zinc/63/91/46/1289639146.db2.gz QCSZOMPLFFPZHX-JTQLQIEISA-N -1 1 374.397 0.689 10 0 FCAEMM CCn1cc(Cl)c(C(=O)Nc2[n-]nc(OCCO)c2C(=O)OC)n1 ZINC001611490905 1289652336 /nfs/dbraw/zinc/65/23/36/1289652336.db2.gz HOSLXEBQBOKFIZ-UHFFFAOYSA-N -1 1 357.754 0.690 10 0 FCAEMM C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001738595807 1289709530 /nfs/dbraw/zinc/70/95/30/1289709530.db2.gz SXJCRRPNEWTQTB-ZDEQEGDKSA-N -1 1 372.429 0.478 10 0 FCAEMM O=C(NC1(CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC001738758722 1289723816 /nfs/dbraw/zinc/72/38/16/1289723816.db2.gz DGNUNSLSNXUQHA-NWDGAFQWSA-N -1 1 370.413 0.232 10 0 FCAEMM COC(=O)[C@]1(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C[C@H]1c1ccccc1 ZINC001616141953 1289769402 /nfs/dbraw/zinc/76/94/02/1289769402.db2.gz GGWMUBSTDXBAEB-GDZNZVCISA-N -1 1 357.370 0.447 10 0 FCAEMM C[C@@](O)(CNC(=O)CCc1nn[n-]n1)c1ccccc1Br ZINC001617936914 1289873360 /nfs/dbraw/zinc/87/33/60/1289873360.db2.gz ZNMVXNQKBLCIRK-CYBMUJFWSA-N -1 1 354.208 0.919 10 0 FCAEMM COc1cnc([C@H]2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)[n-]c1=O ZINC001620648334 1290013274 /nfs/dbraw/zinc/01/32/74/1290013274.db2.gz RMZZMFAUNZBMAC-SNVBAGLBSA-N -1 1 357.374 0.910 10 0 FCAEMM CSc1ncc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001621422563 1290035235 /nfs/dbraw/zinc/03/52/35/1290035235.db2.gz WNFMHSDLMUJZNE-GLEZIHRCSA-N -1 1 365.415 0.354 10 0 FCAEMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001623788602 1290237390 /nfs/dbraw/zinc/23/73/90/1290237390.db2.gz GBFOOXYIONXCRA-ZDUSSCGKSA-N -1 1 372.418 0.798 10 0 FCAEMM CC(C)OCCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001739618424 1290246953 /nfs/dbraw/zinc/24/69/53/1290246953.db2.gz VDHYBBDMSWLEHN-OCCSQVGLSA-N -1 1 351.403 0.294 10 0 FCAEMM CN(C)C(=O)O[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001624496303 1290276061 /nfs/dbraw/zinc/27/60/61/1290276061.db2.gz ZBLMFPQWHIZTSB-LLVKDONJSA-N -1 1 350.375 0.206 10 0 FCAEMM CC[C@@H](O)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001624542978 1290278663 /nfs/dbraw/zinc/27/86/63/1290278663.db2.gz DFVFQDSNGUQMHC-SMDDNHRTSA-N -1 1 372.443 0.759 10 0 FCAEMM CC[C@H](O)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001624542977 1290279143 /nfs/dbraw/zinc/27/91/43/1290279143.db2.gz DFVFQDSNGUQMHC-RISCZKNCSA-N -1 1 372.443 0.759 10 0 FCAEMM Cn1nc(-c2ccncc2)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001625612010 1290355413 /nfs/dbraw/zinc/35/54/13/1290355413.db2.gz XCJNFNWKOLJZFA-CYBMUJFWSA-N -1 1 356.415 0.926 10 0 FCAEMM COCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739687856 1290361244 /nfs/dbraw/zinc/36/12/44/1290361244.db2.gz VSYJANHZCJHQBZ-BZPMIXESSA-N -1 1 351.403 0.151 10 0 FCAEMM CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)[n-]c1Cl ZINC001626429527 1290396981 /nfs/dbraw/zinc/39/69/81/1290396981.db2.gz CSZWNGOICFHQQS-ZETCQYMHSA-N -1 1 364.811 0.602 10 0 FCAEMM CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C2)CC1 ZINC001739886252 1290422277 /nfs/dbraw/zinc/42/22/77/1290422277.db2.gz ZFXBIYMHJUAPKR-WDEREUQCSA-N -1 1 358.402 0.232 10 0 FCAEMM CC=C(C)C(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)n1 ZINC001739983710 1290459143 /nfs/dbraw/zinc/45/91/43/1290459143.db2.gz UEXFACUIMRBLSM-NXHZUBJFSA-N -1 1 370.413 0.908 10 0 FCAEMM CSc1ncc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c(=O)[n-]1 ZINC001627633163 1290474331 /nfs/dbraw/zinc/47/43/31/1290474331.db2.gz QQCMDKCFIYKECF-SSDOTTSWSA-N -1 1 350.322 0.797 10 0 FCAEMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1c([O-])cccc1Cl ZINC001628560024 1290542348 /nfs/dbraw/zinc/54/23/48/1290542348.db2.gz LJABVZMTPQXBMU-UHFFFAOYSA-N -1 1 357.775 0.853 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C(\C)CN2CCOCC2)c1 ZINC001629171744 1290582571 /nfs/dbraw/zinc/58/25/71/1290582571.db2.gz HEQNYSAQLZJXEB-FMIVXFBMSA-N -1 1 369.443 0.517 10 0 FCAEMM CC(C)OCCOC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001629776461 1290625558 /nfs/dbraw/zinc/62/55/58/1290625558.db2.gz OPGPCZKWDUVVJA-UHFFFAOYSA-N -1 1 353.419 0.359 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001630688394 1290687789 /nfs/dbraw/zinc/68/77/89/1290687789.db2.gz YWGSHWLELKOKLJ-SNVBAGLBSA-N -1 1 373.394 0.782 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC001631129644 1290714804 /nfs/dbraw/zinc/71/48/04/1290714804.db2.gz IIAGLSRLCLOUAA-VHSXEESVSA-N -1 1 365.342 0.454 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1cnccn1 ZINC001631258460 1290723209 /nfs/dbraw/zinc/72/32/09/1290723209.db2.gz IYJYHEMUSKRHDK-ZDUSSCGKSA-N -1 1 372.429 0.927 10 0 FCAEMM NC(=O)c1cc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c[nH]1 ZINC001631483490 1290734633 /nfs/dbraw/zinc/73/46/33/1290734633.db2.gz LEAYPSPMNMTEQX-UHFFFAOYSA-N -1 1 357.301 0.553 10 0 FCAEMM Cn1c(C=O)c(Br)cc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001643193002 1290859936 /nfs/dbraw/zinc/85/99/36/1290859936.db2.gz XKLFAIRDBYRDOZ-SNVBAGLBSA-N -1 1 369.179 0.327 10 0 FCAEMM Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244208 1290866368 /nfs/dbraw/zinc/86/63/68/1290866368.db2.gz GQLHLIUGQDGCCC-UHFFFAOYSA-N -1 1 367.383 0.490 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001643386387 1290880226 /nfs/dbraw/zinc/88/02/26/1290880226.db2.gz AEZYRYBBYXDGSE-FMFIFOJESA-N -1 1 356.386 0.397 10 0 FCAEMM CC(C)NS(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001644748775 1290981714 /nfs/dbraw/zinc/98/17/14/1290981714.db2.gz YBDJFDOZPBPFNB-UHFFFAOYSA-N -1 1 364.431 0.696 10 0 FCAEMM COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(Br)cc1[O-] ZINC001645556711 1291034316 /nfs/dbraw/zinc/03/43/16/1291034316.db2.gz MZZYRRZLPUHWFQ-SNVBAGLBSA-N -1 1 369.175 0.718 10 0 FCAEMM Cn1ccn2c(CCNC(=O)c3ncc4ccccc4c3[O-])nnc2c1=O ZINC001645585498 1291036817 /nfs/dbraw/zinc/03/68/17/1291036817.db2.gz ICIKFKPRKGBOOU-UHFFFAOYSA-N -1 1 364.365 0.654 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)C2=CS(=O)(=O)CCC2)[n-]c1=O ZINC001648405759 1291120000 /nfs/dbraw/zinc/12/00/00/1291120000.db2.gz MAGAJWUFKMAFEJ-NSHDSACASA-N -1 1 353.400 0.947 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001650748182 1291177945 /nfs/dbraw/zinc/17/79/45/1291177945.db2.gz FMXRATIMJHKCKU-GVXVVHGQSA-N -1 1 360.414 0.566 10 0 FCAEMM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650857921 1291180810 /nfs/dbraw/zinc/18/08/10/1291180810.db2.gz LUELQEQTQVMIBI-WGBDABJCSA-N -1 1 365.463 0.241 10 0 FCAEMM O=C([N-]Cc1ccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)o1)C(F)(F)F ZINC001650858757 1291181723 /nfs/dbraw/zinc/18/17/23/1291181723.db2.gz SHOKFKBRGWGCHK-SSDOTTSWSA-N -1 1 358.280 0.601 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccn(CC(F)(F)F)c2=O)n1 ZINC001650943955 1291188161 /nfs/dbraw/zinc/18/81/61/1291188161.db2.gz PVNZXRRCXHQOAM-UHFFFAOYSA-N -1 1 373.291 0.635 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001650961896 1291189747 /nfs/dbraw/zinc/18/97/47/1291189747.db2.gz BSEGYDHQXMBXCA-HNNXBMFYSA-N -1 1 353.382 0.681 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001651180937 1291201675 /nfs/dbraw/zinc/20/16/75/1291201675.db2.gz SILOTLAEXMKGNV-UHFFFAOYSA-N -1 1 371.401 0.656 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)CCCN2C(=O)CCC2=O)[n-]c1=O ZINC001652474139 1291280151 /nfs/dbraw/zinc/28/01/51/1291280151.db2.gz XNKYFUQQSPOQMG-UHFFFAOYSA-N -1 1 350.375 0.471 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001654263994 1291403850 /nfs/dbraw/zinc/40/38/50/1291403850.db2.gz TZNOVDXJLISOFZ-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CCS(=O)(=O)c1ccccc1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001654263994 1291403853 /nfs/dbraw/zinc/40/38/53/1291403853.db2.gz TZNOVDXJLISOFZ-UHFFFAOYSA-N -1 1 372.428 0.183 10 0 FCAEMM CN(Cc1nnc2n1CCNC2=O)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001654765803 1291434507 /nfs/dbraw/zinc/43/45/07/1291434507.db2.gz OYYMVWPVEKIFCV-UHFFFAOYSA-N -1 1 355.354 0.466 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CCc2nccs2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656759566 1291560991 /nfs/dbraw/zinc/56/09/91/1291560991.db2.gz JHMLRVXPESBIBA-NWDGAFQWSA-N -1 1 364.475 0.667 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)COC2CCC(C)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001657052468 1291592675 /nfs/dbraw/zinc/59/26/75/1291592675.db2.gz XYRJVLIRXWCAAV-JYVUQVBGSA-N -1 1 365.478 0.783 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCC2(C1)OCCO2 ZINC001671050554 1292031558 /nfs/dbraw/zinc/03/15/58/1292031558.db2.gz DVUQKPHVARYYEP-SNVBAGLBSA-N -1 1 350.375 0.350 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](CO)Cc1ccoc1 ZINC001675456564 1292177381 /nfs/dbraw/zinc/17/73/81/1292177381.db2.gz KMTLQLJUVHTJBW-LBPRGKRZSA-N -1 1 362.386 0.498 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1Cc2ccccc2NC(=O)C1 ZINC001675456751 1292177492 /nfs/dbraw/zinc/17/74/92/1292177492.db2.gz PAGJZYYQVPLYJQ-UHFFFAOYSA-N -1 1 369.381 0.919 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](CO)Cc1ccoc1 ZINC001675456563 1292177719 /nfs/dbraw/zinc/17/77/19/1292177719.db2.gz KMTLQLJUVHTJBW-GFCCVEGCSA-N -1 1 362.386 0.498 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCCNC(N)=O ZINC001685214891 1292454197 /nfs/dbraw/zinc/45/41/97/1292454197.db2.gz LGIPPJQGSOAKFH-NEPJUHHUSA-N -1 1 363.418 0.345 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCn1cncn1 ZINC001685215409 1292455165 /nfs/dbraw/zinc/45/51/65/1292455165.db2.gz VQQHLWIUEYKJSE-OLZOCXBDSA-N -1 1 358.402 0.578 10 0 FCAEMM C[C@@H](CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1)NC(N)=O ZINC001685644011 1292580597 /nfs/dbraw/zinc/58/05/97/1292580597.db2.gz LKEUSAYGIZSTPC-GRYCIOLGSA-N -1 1 363.418 0.058 10 0 FCAEMM Cn1[n-]c(CN2CCC3(CN(C(=O)[C@]45CCC[C@H]4OCC5)C3)C2)nc1=O ZINC001686303526 1292894405 /nfs/dbraw/zinc/89/44/05/1292894405.db2.gz WYZZKGBMLDANBI-ACJLOTCBSA-N -1 1 361.446 0.102 10 0 FCAEMM NS(=O)(=O)C1(CNC(=O)NCCc2c(F)cc([O-])cc2F)CCC1 ZINC001687704619 1293002105 /nfs/dbraw/zinc/00/21/05/1293002105.db2.gz GWCIKZYOGCKCQK-UHFFFAOYSA-N -1 1 363.386 0.723 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000747372569 836237270 /nfs/dbraw/zinc/23/72/70/836237270.db2.gz LIOIAHACWUTYQQ-UHFFFAOYSA-N -1 1 356.448 0.769 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N(C)CC(=O)NC1CC1 ZINC000749279612 836353988 /nfs/dbraw/zinc/35/39/88/836353988.db2.gz OQNQKLMEMCZSRQ-MRVPVSSYSA-N -1 1 356.325 0.953 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC001118442798 847424370 /nfs/dbraw/zinc/42/43/70/847424370.db2.gz GWKNNTWKOCAQIM-CQSZACIVSA-N -1 1 367.370 0.420 10 0 FCAEMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCCSCC2)C1 ZINC001118941160 847644779 /nfs/dbraw/zinc/64/47/79/847644779.db2.gz YJDZUTKTSJNMST-CYBMUJFWSA-N -1 1 367.393 0.621 10 0 FCAEMM CC[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)CCS1 ZINC001123122055 848570373 /nfs/dbraw/zinc/57/03/73/848570373.db2.gz GUMYWDFQXKHMIV-GHMZBOCLSA-N -1 1 350.452 0.827 10 0 FCAEMM CC[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)CCS1 ZINC001123122055 848570375 /nfs/dbraw/zinc/57/03/75/848570375.db2.gz GUMYWDFQXKHMIV-GHMZBOCLSA-N -1 1 350.452 0.827 10 0 FCAEMM CO[C@H]1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@H]2CCOC2)C1 ZINC001123123672 848570523 /nfs/dbraw/zinc/57/05/23/848570523.db2.gz UYANWZRZSRGRAV-ZJUUUORDSA-N -1 1 353.814 0.978 10 0 FCAEMM CO[C@H]1CCN(c2nnc(-c3nc(Cl)n[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001123123671 848570724 /nfs/dbraw/zinc/57/07/24/848570724.db2.gz UYANWZRZSRGRAV-UWVGGRQHSA-N -1 1 353.814 0.978 10 0 FCAEMM CC(C)COC(=O)N1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1 ZINC001123314207 848585070 /nfs/dbraw/zinc/58/50/70/848585070.db2.gz VPAFOAOOSGDGBR-UHFFFAOYSA-N -1 1 351.367 0.073 10 0 FCAEMM CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)c1nn[n-]n1 ZINC001131169495 849084492 /nfs/dbraw/zinc/08/44/92/849084492.db2.gz IBXNYJOYIGBGMS-SNVBAGLBSA-N -1 1 363.765 0.721 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001135409277 849196948 /nfs/dbraw/zinc/19/69/48/849196948.db2.gz WKNBJHZNTQOKPL-UHFFFAOYSA-N -1 1 364.431 0.946 10 0 FCAEMM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cnncc2[O-])cc1 ZINC001137040355 849253828 /nfs/dbraw/zinc/25/38/28/849253828.db2.gz JFBDVXVXMQJYAV-UHFFFAOYSA-N -1 1 350.400 0.541 10 0 FCAEMM COc1ccc(NC(=O)/C=C\Cn2cncn2)cc1[N-]S(C)(=O)=O ZINC001141413848 849395548 /nfs/dbraw/zinc/39/55/48/849395548.db2.gz KSEWVQVSFXKZKL-ARJAWSKDSA-N -1 1 351.388 0.853 10 0 FCAEMM COC(=O)c1ccn(CCCC(=O)NCc2cc(=O)[n-]c(SC)n2)n1 ZINC001143621016 849495871 /nfs/dbraw/zinc/49/58/71/849495871.db2.gz ZBIYKFMJNLUYPK-UHFFFAOYSA-N -1 1 365.415 0.984 10 0 FCAEMM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)NCc2nn[n-]n2)CCOCC1 ZINC001143974799 849505857 /nfs/dbraw/zinc/50/58/57/849505857.db2.gz ZFXWHPLDBHRCRE-JTQLQIEISA-N -1 1 354.411 0.526 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2c(Br)nnn2C)n[n-]1 ZINC001166125568 850462225 /nfs/dbraw/zinc/46/22/25/850462225.db2.gz AEIMFCGBONLMQQ-YFKPBYRVSA-N -1 1 372.183 0.363 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2c(Br)nnn2C)[n-]1 ZINC001166125568 850462228 /nfs/dbraw/zinc/46/22/28/850462228.db2.gz AEIMFCGBONLMQQ-YFKPBYRVSA-N -1 1 372.183 0.363 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2c(Br)nnn2C)n1 ZINC001166125568 850462231 /nfs/dbraw/zinc/46/22/31/850462231.db2.gz AEIMFCGBONLMQQ-YFKPBYRVSA-N -1 1 372.183 0.363 10 0 FCAEMM Nc1ncn(CC(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC001169860000 850636780 /nfs/dbraw/zinc/63/67/80/850636780.db2.gz NUQWONUHEXQQFJ-UHFFFAOYSA-N -1 1 350.810 0.564 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)o1 ZINC001171782314 850696811 /nfs/dbraw/zinc/69/68/11/850696811.db2.gz OAFYDEPOPYRDCP-JTQLQIEISA-N -1 1 364.379 0.952 10 0 FCAEMM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001176029855 850780038 /nfs/dbraw/zinc/78/00/38/850780038.db2.gz VTRVLAVEYFDYTO-BXUZGUMPSA-N -1 1 351.403 0.845 10 0 FCAEMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001176029856 850780172 /nfs/dbraw/zinc/78/01/72/850780172.db2.gz VTRVLAVEYFDYTO-FZMZJTMJSA-N -1 1 351.403 0.845 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN([S@](C)(=N)=O)CC2)c(=O)[n-]1 ZINC001177171973 850828909 /nfs/dbraw/zinc/82/89/09/850828909.db2.gz GXKZALDSQMBCTD-DEOSSOPVSA-N -1 1 373.504 0.881 10 0 FCAEMM O=C(CCCS(=O)(=O)N1CCCC1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001177865433 850874990 /nfs/dbraw/zinc/87/49/90/850874990.db2.gz AUYCCZDFCOICJJ-ZDUSSCGKSA-N -1 1 370.479 0.187 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c(Br)n1C ZINC001261797558 858667267 /nfs/dbraw/zinc/66/72/67/858667267.db2.gz LBKBZSDKKCHTTI-LJGSYFOKSA-N -1 1 351.226 0.033 10 0 FCAEMM CCCSCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001281819845 863772728 /nfs/dbraw/zinc/77/27/28/863772728.db2.gz VEQKHONQDVADCA-DGCLKSJQSA-N -1 1 353.444 0.886 10 0 FCAEMM CCCCOCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001281828343 863787189 /nfs/dbraw/zinc/78/71/89/863787189.db2.gz IXIANAJXLSDDPE-TZMCWYRMSA-N -1 1 351.403 0.560 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@H](C)OC ZINC001282178563 864102350 /nfs/dbraw/zinc/10/23/50/864102350.db2.gz KBVUGIFLVGJPFY-OUCADQQQSA-N -1 1 351.403 0.415 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)CCN1C(=O)c1ncccc1[O-] ZINC001282265168 864151758 /nfs/dbraw/zinc/15/17/58/864151758.db2.gz LFFOWKBWCNSSTO-GRYCIOLGSA-N -1 1 369.443 0.330 10 0 FCAEMM C[S@@](=O)CCN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001293790117 865807019 /nfs/dbraw/zinc/80/70/19/865807019.db2.gz SGINWNWWBJIJCL-HSZRJFAPSA-N -1 1 353.473 0.154 10 0 FCAEMM CSc1ncc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(=O)[n-]1 ZINC001294000868 865815746 /nfs/dbraw/zinc/81/57/46/865815746.db2.gz YDWARESKAOUCPA-OAHLLOKOSA-N -1 1 365.415 0.354 10 0 FCAEMM O=C(NCc1nc([O-])n[nH]1)c1cc(Br)cn(C2CC2)c1=O ZINC001294483005 865837557 /nfs/dbraw/zinc/83/75/57/865837557.db2.gz ZKJXRIBDJQYMLG-UHFFFAOYSA-N -1 1 354.164 0.699 10 0 FCAEMM CN(C(=O)c1ccc2n[n-]c(=S)n2c1)C1CCN(S(C)(=O)=O)CC1 ZINC001294952444 865864853 /nfs/dbraw/zinc/86/48/53/865864853.db2.gz GUZLUBSHDOPQSU-UHFFFAOYSA-N -1 1 369.472 0.514 10 0 FCAEMM COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnncc1[O-] ZINC001295036572 865870571 /nfs/dbraw/zinc/87/05/71/865870571.db2.gz POCIVKBYKSUDHS-UHFFFAOYSA-N -1 1 366.399 0.896 10 0 FCAEMM COc1cccc([O-])c1C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1 ZINC001295119596 865879610 /nfs/dbraw/zinc/87/96/10/865879610.db2.gz URWYMMRGLCZFCF-LBPRGKRZSA-N -1 1 350.375 0.704 10 0 FCAEMM O=C(c1ncsc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296952638 865997667 /nfs/dbraw/zinc/99/76/67/865997667.db2.gz CIYRKAQKECXYCM-UHFFFAOYSA-N -1 1 359.209 0.543 10 0 FCAEMM CSCC[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1nn[n-]n1 ZINC001301161249 866250999 /nfs/dbraw/zinc/25/09/99/866250999.db2.gz KIPCFJMJLDGYGJ-AXFHLTTASA-N -1 1 364.431 0.061 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(CCc3cnccn3)CC2)c(=O)[n-]1 ZINC001302862618 866362277 /nfs/dbraw/zinc/36/22/77/866362277.db2.gz DXXOLIRNSMAZDW-UHFFFAOYSA-N -1 1 360.443 0.695 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(CN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)s1 ZINC001349615111 866395524 /nfs/dbraw/zinc/39/55/24/866395524.db2.gz SEAIWJOMLCYKOR-NHYWBVRUSA-N -1 1 374.484 0.922 10 0 FCAEMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CO1 ZINC001350612985 866643743 /nfs/dbraw/zinc/64/37/43/866643743.db2.gz WGPLNSCGXHSYMT-HZPDHXFCSA-N -1 1 354.447 0.827 10 0 FCAEMM CC(C)OCCS(=O)(=O)[N-]Cc1nc([C@@H](C)c2cnccn2)no1 ZINC001351361163 866841807 /nfs/dbraw/zinc/84/18/07/866841807.db2.gz INAQKIBBJRKMHH-NSHDSACASA-N -1 1 355.420 0.856 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(F)cc(F)cc2OC)CCOC1 ZINC001319131164 867836797 /nfs/dbraw/zinc/83/67/97/867836797.db2.gz DXIIXDMEZWCYAT-CYBMUJFWSA-N -1 1 351.327 0.584 10 0 FCAEMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOC1 ZINC001319780109 867999017 /nfs/dbraw/zinc/99/90/17/867999017.db2.gz YEJXZYDDVMPHKV-LLVKDONJSA-N -1 1 355.199 0.999 10 0 FCAEMM CC(=O)N(C)c1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC001321453379 868478512 /nfs/dbraw/zinc/47/85/12/868478512.db2.gz FAIRWPPBFYIKCJ-UHFFFAOYSA-N -1 1 369.443 0.450 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001322556078 868857926 /nfs/dbraw/zinc/85/79/26/868857926.db2.gz UVFBVCIDEWZNJY-UHFFFAOYSA-N -1 1 365.415 0.117 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc[nH]c(=O)c2Br)n1 ZINC001326555359 870379787 /nfs/dbraw/zinc/37/97/87/870379787.db2.gz KHDTYCIAQVJRNV-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc[nH]c(=O)c2Br)[n-]1 ZINC001326555359 870379801 /nfs/dbraw/zinc/37/98/01/870379801.db2.gz KHDTYCIAQVJRNV-UHFFFAOYSA-N -1 1 362.165 0.324 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)C[C@H](C)S1 ZINC001344455225 870890806 /nfs/dbraw/zinc/89/08/06/870890806.db2.gz OLTYXFMHTUJSDE-OUAUKWLOSA-N -1 1 350.452 0.825 10 0 FCAEMM C[C@@H]1CN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)C[C@H](C)S1 ZINC001344455225 870890819 /nfs/dbraw/zinc/89/08/19/870890819.db2.gz OLTYXFMHTUJSDE-OUAUKWLOSA-N -1 1 350.452 0.825 10 0 FCAEMM COC[C@H](CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccncc2)c1C)OC ZINC001327955426 871155404 /nfs/dbraw/zinc/15/54/04/871155404.db2.gz AFYOZGBXPJCKLO-CYBMUJFWSA-N -1 1 368.415 0.297 10 0 FCAEMM CC12CC(C1)CN2C(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001327992090 871172331 /nfs/dbraw/zinc/17/23/31/871172331.db2.gz CFZIXGUIBZWHAT-UHFFFAOYSA-N -1 1 361.364 0.914 10 0 FCAEMM Cc1nn(C)cc1CCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001329216842 871892518 /nfs/dbraw/zinc/89/25/18/871892518.db2.gz PGEANJQNELEPDR-QGZVFWFLSA-N -1 1 350.419 0.049 10 0 FCAEMM CN1CCN(C)[C@@H](CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC001329825576 872287800 /nfs/dbraw/zinc/28/78/00/872287800.db2.gz KOTIOVIVIZMUML-JTQLQIEISA-N -1 1 362.352 0.434 10 0 FCAEMM Cn1cc(Br)c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1=O ZINC001347475583 872350938 /nfs/dbraw/zinc/35/09/38/872350938.db2.gz WZIHXTYWJMZMGL-ZETCQYMHSA-N -1 1 353.180 0.291 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnc(-c4ncccn4)s3)nc2n1 ZINC001330103810 872465672 /nfs/dbraw/zinc/46/56/72/872465672.db2.gz FZSZGMIJZUVPEM-UHFFFAOYSA-N -1 1 354.355 0.892 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1)[C@@H]1CCOC1 ZINC001330136688 872485120 /nfs/dbraw/zinc/48/51/20/872485120.db2.gz PXFYIQXVESEHJL-OLZOCXBDSA-N -1 1 368.415 0.603 10 0 FCAEMM O=C(c1cc(Br)ccc1[O-])N1CCN2CCOC[C@@]2(CO)C1 ZINC001348454578 872703530 /nfs/dbraw/zinc/70/35/30/872703530.db2.gz KLGHKQIVEPFMAE-HNNXBMFYSA-N -1 1 371.231 0.674 10 0 FCAEMM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC001332597872 873574706 /nfs/dbraw/zinc/57/47/06/873574706.db2.gz ZMWZAQFQKDNANW-UHFFFAOYSA-N -1 1 372.428 0.043 10 0 FCAEMM CCOC(=O)c1cnc(C)c(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000293507097 214180456 /nfs/dbraw/zinc/18/04/56/214180456.db2.gz AJRCINHEJGZLQV-LLVKDONJSA-N -1 1 359.386 0.998 10 0 FCAEMM O=c1nc(C2CCN(S(=O)(=O)Cc3noc4ccccc34)CC2)[nH][n-]1 ZINC000294656016 214258327 /nfs/dbraw/zinc/25/83/27/214258327.db2.gz QWSZZVYFCLLVOI-UHFFFAOYSA-N -1 1 363.399 0.949 10 0 FCAEMM O=C(CN1CCC(c2n[n-]c(=O)o2)CC1)NCCOc1cccc(F)c1 ZINC000295135108 214278391 /nfs/dbraw/zinc/27/83/91/214278391.db2.gz CYQUPOCAQMHTRM-UHFFFAOYSA-N -1 1 364.377 0.877 10 0 FCAEMM C[C@@H]1CCN(CC2CN(S(C)(=O)=O)C2)C[C@@H]1NC(=O)C(F)(F)F ZINC000931074147 674090865 /nfs/dbraw/zinc/09/08/65/674090865.db2.gz AGYXQHMJRXUROU-KOLCDFICSA-N -1 1 357.398 0.267 10 0 FCAEMM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000366745086 216024388 /nfs/dbraw/zinc/02/43/88/216024388.db2.gz QYTJKNFOZRCRFO-SNVBAGLBSA-N -1 1 355.358 0.021 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)o1 ZINC000189793408 209261645 /nfs/dbraw/zinc/26/16/45/209261645.db2.gz AXSANDYONHQXQN-UHFFFAOYSA-N -1 1 353.404 0.182 10 0 FCAEMM Cn1c(N)c(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(=O)n(C)c1=O ZINC000277504714 212367199 /nfs/dbraw/zinc/36/71/99/212367199.db2.gz DZLILEKGPSXYIH-UHFFFAOYSA-N -1 1 363.399 0.014 10 0 FCAEMM CCC1(CC)CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC[S@@]1=O ZINC000186728209 209195573 /nfs/dbraw/zinc/19/55/73/209195573.db2.gz XFSNWANPUCHGKB-QFIPXVFZSA-N -1 1 362.473 0.951 10 0 FCAEMM C[C@H]1Cc2cc(S(=O)(=O)N3CCCN(CC(=O)[O-])CC3)ccc2O1 ZINC000275396058 212019252 /nfs/dbraw/zinc/01/92/52/212019252.db2.gz YQBKMBPNBQVLSH-LBPRGKRZSA-N -1 1 354.428 0.791 10 0 FCAEMM CN1CCN(c2ccc(NS(=O)(=O)N3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000275379684 212017027 /nfs/dbraw/zinc/01/70/27/212017027.db2.gz ZLOYBRFGCJOHLK-UHFFFAOYSA-N -1 1 368.459 0.889 10 0 FCAEMM C[C@H](CN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nn[n-]n1 ZINC000373490970 217023263 /nfs/dbraw/zinc/02/32/63/217023263.db2.gz VFISNUILFALECA-NOEPWBJOSA-N -1 1 363.422 0.262 10 0 FCAEMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1-n1cnnn1 ZINC000374881006 217183517 /nfs/dbraw/zinc/18/35/17/217183517.db2.gz VEJBNIVSNJVSGC-UHFFFAOYSA-N -1 1 358.383 0.870 10 0 FCAEMM COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@H](C)c3nn[n-]n3)CC(=O)N2C)cc1 ZINC000375380952 217257976 /nfs/dbraw/zinc/25/79/76/217257976.db2.gz QZDNSNLRGSOCAW-HZUKXOBISA-N -1 1 372.429 0.990 10 0 FCAEMM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015329383 220151425 /nfs/dbraw/zinc/15/14/25/220151425.db2.gz QDRWUXKDNPOSCC-SNVBAGLBSA-N -1 1 353.400 0.132 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c(Br)n1C ZINC000376316590 217383842 /nfs/dbraw/zinc/38/38/42/217383842.db2.gz MXSYYJUVWYMMAY-PSVAKVPMSA-N -1 1 350.238 0.662 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)OC)c1ccc(OC)cc1OC ZINC000443045645 248305003 /nfs/dbraw/zinc/30/50/03/248305003.db2.gz RPESXCUIBCEPAS-IINYFYTJSA-N -1 1 361.416 0.872 10 0 FCAEMM C=CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000271426727 211399993 /nfs/dbraw/zinc/39/99/93/211399993.db2.gz FWYYZSRBHVBDHK-UHFFFAOYSA-N -1 1 367.427 0.808 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)co1 ZINC000270086603 211151954 /nfs/dbraw/zinc/15/19/54/211151954.db2.gz WJPDAGRGDSFJHG-ZDUSSCGKSA-N -1 1 363.395 0.723 10 0 FCAEMM CCCCS(=O)(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CC2)CC1 ZINC000470984266 250085173 /nfs/dbraw/zinc/08/51/73/250085173.db2.gz RIJZKBUOEMKQSA-UHFFFAOYSA-N -1 1 356.452 0.147 10 0 FCAEMM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1(c2nn[n-]n2)CC1 ZINC000470981517 250085514 /nfs/dbraw/zinc/08/55/14/250085514.db2.gz CTSMRYUFUMNQQO-UHFFFAOYSA-N -1 1 367.417 0.757 10 0 FCAEMM CN(CCCCO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000472189080 250137669 /nfs/dbraw/zinc/13/76/69/250137669.db2.gz FZSNPHGRRZNQTO-UHFFFAOYSA-N -1 1 354.425 0.590 10 0 FCAEMM COC[C@@H](C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1OC ZINC000472643466 250169987 /nfs/dbraw/zinc/16/99/87/250169987.db2.gz ZYXNCDPPZAUAMK-QMTHXVAHSA-N -1 1 361.416 0.872 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000473218270 250208267 /nfs/dbraw/zinc/20/82/67/250208267.db2.gz YRBWVTKBSXKZKM-NSHDSACASA-N -1 1 352.391 0.223 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cn1 ZINC000474132338 250272090 /nfs/dbraw/zinc/27/20/90/250272090.db2.gz LQAPQLRUKXUWHF-UHFFFAOYSA-N -1 1 365.419 0.044 10 0 FCAEMM COc1ccc(NC(=O)C(=O)NCC[C@@H](C)F)cc1[N-]S(C)(=O)=O ZINC000481621952 250345581 /nfs/dbraw/zinc/34/55/81/250345581.db2.gz GZHXWQZIPCKHGO-SECBINFHSA-N -1 1 361.395 0.870 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000067070790 208023595 /nfs/dbraw/zinc/02/35/95/208023595.db2.gz XUQZYBYSBLZOKE-CYBMUJFWSA-N -1 1 355.402 0.637 10 0 FCAEMM Cc1nc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)no1 ZINC000266173982 210297018 /nfs/dbraw/zinc/29/70/18/210297018.db2.gz JYHLXZGLBWWXAQ-UHFFFAOYSA-N -1 1 372.428 0.297 10 0 FCAEMM CSc1nc(C)c(CCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c(=O)[n-]1 ZINC000266058626 210273974 /nfs/dbraw/zinc/27/39/74/210273974.db2.gz UQDDTKRKIGKMNJ-UHFFFAOYSA-N -1 1 365.415 0.181 10 0 FCAEMM C[C@](O)(CNC(=O)c1ccc(Br)cc1[O-])CN1CCOCC1 ZINC000176903714 209012054 /nfs/dbraw/zinc/01/20/54/209012054.db2.gz CAWNTSDBRXUJEV-HNNXBMFYSA-N -1 1 373.247 0.968 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000409803729 533405177 /nfs/dbraw/zinc/40/51/77/533405177.db2.gz ZKJDFGMQCQCSAY-GXSJLCMTSA-N -1 1 368.427 0.961 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)co1 ZINC000179407115 209078467 /nfs/dbraw/zinc/07/84/67/209078467.db2.gz PBQFTKSBMFLSMC-LLVKDONJSA-N -1 1 367.431 0.647 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2ccnc(N3CCCCC3)n2)n[n-]1 ZINC000523565251 484468962 /nfs/dbraw/zinc/46/89/62/484468962.db2.gz QSECGEWZGNBMFW-UHFFFAOYSA-N -1 1 351.392 0.241 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnc(N3CCCCC3)n2)n1 ZINC000523565251 484468964 /nfs/dbraw/zinc/46/89/64/484468964.db2.gz QSECGEWZGNBMFW-UHFFFAOYSA-N -1 1 351.392 0.241 10 0 FCAEMM COc1cc(C)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1OC ZINC000327654152 488920284 /nfs/dbraw/zinc/92/02/84/488920284.db2.gz WRDMYSDBZHEHON-UHFFFAOYSA-N -1 1 372.443 0.793 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)sc1C ZINC000328895730 488947660 /nfs/dbraw/zinc/94/76/60/488947660.db2.gz BNXHNJGSSRBBDH-ZWNOBZJWSA-N -1 1 369.472 0.744 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c(Br)n1C ZINC000288140268 488948748 /nfs/dbraw/zinc/94/87/48/488948748.db2.gz NEGNTDCZHZJQQU-BDAKNGLRSA-N -1 1 352.254 0.930 10 0 FCAEMM COC[C@@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000364415393 488957704 /nfs/dbraw/zinc/95/77/04/488957704.db2.gz FVANEBXCFOTDIF-MRXNPFEDSA-N -1 1 370.427 0.009 10 0 FCAEMM Cn1[n-]cc2/c(=N/C(=O)C(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)ccnc1-2 ZINC000288296623 488967214 /nfs/dbraw/zinc/96/72/14/488967214.db2.gz HORBSUAPZFPPEI-KOMLCTQHSA-N -1 1 373.413 0.077 10 0 FCAEMM COc1ccc(CNC(=O)CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000068258425 488362927 /nfs/dbraw/zinc/36/29/27/488362927.db2.gz FAPSOTFXVGTHQM-UHFFFAOYSA-N -1 1 366.377 0.978 10 0 FCAEMM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000071272556 488376978 /nfs/dbraw/zinc/37/69/78/488376978.db2.gz QSXUBMYGJGYXQT-ZETCQYMHSA-N -1 1 359.629 0.783 10 0 FCAEMM C[C@H](CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000183426214 488392282 /nfs/dbraw/zinc/39/22/82/488392282.db2.gz WMKLGELQSMTKQA-SECBINFHSA-N -1 1 357.823 0.889 10 0 FCAEMM CCOC(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000271601320 488529853 /nfs/dbraw/zinc/52/98/53/488529853.db2.gz UKIPLISYTATKFB-UHFFFAOYSA-N -1 1 372.399 0.305 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CN2C(=O)CSc3ccccc32)n1 ZINC000116206094 488546861 /nfs/dbraw/zinc/54/68/61/488546861.db2.gz GYRJXMYQYGYULL-UHFFFAOYSA-N -1 1 367.412 0.286 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CN2C(=O)CSc3ccccc32)[n-]1 ZINC000116206094 488546863 /nfs/dbraw/zinc/54/68/63/488546863.db2.gz GYRJXMYQYGYULL-UHFFFAOYSA-N -1 1 367.412 0.286 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCNC(=O)c2ccc(F)cc2)n1 ZINC000116614433 488548617 /nfs/dbraw/zinc/54/86/17/488548617.db2.gz GVPMYQXQHJZWHG-UHFFFAOYSA-N -1 1 369.378 0.496 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)CCCNC(=O)c2ccc(F)cc2)[n-]1 ZINC000116614433 488548619 /nfs/dbraw/zinc/54/86/19/488548619.db2.gz GVPMYQXQHJZWHG-UHFFFAOYSA-N -1 1 369.378 0.496 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126770648 488612065 /nfs/dbraw/zinc/61/20/65/488612065.db2.gz YTQSARLKFJNBBO-AWEZNQCLSA-N -1 1 369.429 0.712 10 0 FCAEMM O=C(CCNC(=O)c1ncccc1[O-])N1CCN(c2ncccn2)CC1 ZINC000263770338 488626020 /nfs/dbraw/zinc/62/60/20/488626020.db2.gz IRSJTJOLZQGOHT-UHFFFAOYSA-N -1 1 356.386 0.046 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)co1 ZINC000130404767 488637454 /nfs/dbraw/zinc/63/74/54/488637454.db2.gz WXWYLLFSHULAEV-NSHDSACASA-N -1 1 368.415 0.974 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)o1 ZINC000135337197 488672475 /nfs/dbraw/zinc/67/24/75/488672475.db2.gz SYQCBHKJIJDNJC-SECBINFHSA-N -1 1 353.404 0.607 10 0 FCAEMM CCNC(=O)CS(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000152031507 488712623 /nfs/dbraw/zinc/71/26/23/488712623.db2.gz CZBVRZYUASZJAC-UHFFFAOYSA-N -1 1 361.221 0.939 10 0 FCAEMM CCNC(=O)CS(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000152031507 488712618 /nfs/dbraw/zinc/71/26/18/488712618.db2.gz CZBVRZYUASZJAC-UHFFFAOYSA-N -1 1 361.221 0.939 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)co1 ZINC000152623243 488720689 /nfs/dbraw/zinc/72/06/89/488720689.db2.gz LJAGGRFYRUPBKV-SECBINFHSA-N -1 1 353.404 0.607 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000274947481 488747000 /nfs/dbraw/zinc/74/70/00/488747000.db2.gz HKOVPNZUGCJHLT-ZDUSSCGKSA-N -1 1 370.427 0.675 10 0 FCAEMM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cnc([O-])n(C)c1=O ZINC000267601135 488802574 /nfs/dbraw/zinc/80/25/74/488802574.db2.gz PFBDFWKONFEVBC-AWEZNQCLSA-N -1 1 371.441 0.426 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccon3)CC2)o1 ZINC000172798590 488838221 /nfs/dbraw/zinc/83/82/21/488838221.db2.gz AXPSVFRXCNYNBZ-UHFFFAOYSA-N -1 1 354.388 0.134 10 0 FCAEMM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176761268 488858744 /nfs/dbraw/zinc/85/87/44/488858744.db2.gz NCHVMKQGOHJPSN-WFASDCNBSA-N -1 1 359.430 0.992 10 0 FCAEMM COc1ccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1OC ZINC000289399895 489064911 /nfs/dbraw/zinc/06/49/11/489064911.db2.gz KXUXZUXUIKZHGM-LLVKDONJSA-N -1 1 361.402 0.933 10 0 FCAEMM NC(=O)c1cn(C2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)nn1 ZINC000365392518 489071570 /nfs/dbraw/zinc/07/15/70/489071570.db2.gz HQTXEYACGMECOP-UHFFFAOYSA-N -1 1 355.276 0.799 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)cnc2n1 ZINC000365597975 489091545 /nfs/dbraw/zinc/09/15/45/489091545.db2.gz JPESDJTWXQJVBN-QGZVFWFLSA-N -1 1 355.354 0.458 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@]3(C1)NC(=O)NC3=O)c2=O ZINC000365597975 489091548 /nfs/dbraw/zinc/09/15/48/489091548.db2.gz JPESDJTWXQJVBN-QGZVFWFLSA-N -1 1 355.354 0.458 10 0 FCAEMM O=C(CNC(=O)c1cccnc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281689210 489097617 /nfs/dbraw/zinc/09/76/17/489097617.db2.gz LFZLRNRAKBSDTP-UHFFFAOYSA-N -1 1 372.347 0.729 10 0 FCAEMM CC(C)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000330632198 489125848 /nfs/dbraw/zinc/12/58/48/489125848.db2.gz HLKDMWHATSBFTE-UHFFFAOYSA-N -1 1 358.416 0.777 10 0 FCAEMM O=C(CNC(=O)c1ccccn1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290340677 489132887 /nfs/dbraw/zinc/13/28/87/489132887.db2.gz KGEZTPNJEGFLDE-LLVKDONJSA-N -1 1 372.347 0.729 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282104651 489134225 /nfs/dbraw/zinc/13/42/25/489134225.db2.gz FCWQHOGUDYNVIK-NSHDSACASA-N -1 1 355.398 0.784 10 0 FCAEMM C[C@@H](CN(C)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000282176226 489141718 /nfs/dbraw/zinc/14/17/18/489141718.db2.gz CWXFPRIHABNECW-UWVGGRQHSA-N -1 1 367.410 0.431 10 0 FCAEMM O=C(CNC(=O)OCc1ccccc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282923092 489199561 /nfs/dbraw/zinc/19/95/61/489199561.db2.gz NZCJYMWUHXSDBC-CYBMUJFWSA-N -1 1 359.386 0.730 10 0 FCAEMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)c1 ZINC000349607236 489326783 /nfs/dbraw/zinc/32/67/83/489326783.db2.gz LWNDMGFSLGZTQD-UHFFFAOYSA-N -1 1 363.461 0.879 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1OCC(=O)N(C)C ZINC000299130530 489409165 /nfs/dbraw/zinc/40/91/65/489409165.db2.gz DBBDGIVGRDUGJN-UHFFFAOYSA-N -1 1 358.416 0.767 10 0 FCAEMM Cc1ocnc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299190970 489415481 /nfs/dbraw/zinc/41/54/81/489415481.db2.gz OYBRBDFKNMRIQU-UHFFFAOYSA-N -1 1 367.383 0.962 10 0 FCAEMM Cc1cnn(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000286771032 489427681 /nfs/dbraw/zinc/42/76/81/489427681.db2.gz FNOHVAVTDBUUAC-UHFFFAOYSA-N -1 1 362.253 0.974 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)n1 ZINC000570702091 491258928 /nfs/dbraw/zinc/25/89/28/491258928.db2.gz ZRXUWRNADXXAHW-JGVFFNPUSA-N -1 1 354.354 0.761 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)c(=O)n(C)c1=O ZINC000451590797 489511004 /nfs/dbraw/zinc/51/10/04/489511004.db2.gz LRDHHCXAEVXLAH-CYBMUJFWSA-N -1 1 367.402 0.579 10 0 FCAEMM COC(=O)C(C)(C)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000426077842 489554057 /nfs/dbraw/zinc/55/40/57/489554057.db2.gz FXDSQTBRNFMQMB-UHFFFAOYSA-N -1 1 358.398 0.633 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000469565603 489712964 /nfs/dbraw/zinc/71/29/64/489712964.db2.gz RNXVUFXOSAMILE-CYBMUJFWSA-N -1 1 368.397 0.604 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000469565604 489713127 /nfs/dbraw/zinc/71/31/27/489713127.db2.gz RNXVUFXOSAMILE-ZDUSSCGKSA-N -1 1 368.397 0.604 10 0 FCAEMM COCc1nnc(S(=O)(=O)CC(=O)N2CCC(c3ccccc3)=N2)[n-]1 ZINC000474438691 489762666 /nfs/dbraw/zinc/76/26/66/489762666.db2.gz KQUKTSNUUWSMFG-UHFFFAOYSA-N -1 1 363.399 0.361 10 0 FCAEMM COCc1nc(S(=O)(=O)CC(=O)N2CCC(c3ccccc3)=N2)n[n-]1 ZINC000474438691 489762671 /nfs/dbraw/zinc/76/26/71/489762671.db2.gz KQUKTSNUUWSMFG-UHFFFAOYSA-N -1 1 363.399 0.361 10 0 FCAEMM COc1ccc(C(=O)CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1F ZINC000434083027 489912516 /nfs/dbraw/zinc/91/25/16/489912516.db2.gz AEJSXBMZAFUDKO-UHFFFAOYSA-N -1 1 370.362 0.958 10 0 FCAEMM COc1ccc(C(=O)CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1F ZINC000434083027 489912519 /nfs/dbraw/zinc/91/25/19/489912519.db2.gz AEJSXBMZAFUDKO-UHFFFAOYSA-N -1 1 370.362 0.958 10 0 FCAEMM COc1ccc(CNC(=O)c2ncc(C)cc2[O-])cc1S(N)(=O)=O ZINC000495179929 489928783 /nfs/dbraw/zinc/92/87/83/489928783.db2.gz HVNASVIHHNQIIL-UHFFFAOYSA-N -1 1 351.384 0.682 10 0 FCAEMM COc1cc2c(cc1OC)CN(CC(=O)NC1(c3nn[n-]n3)CC1)CC2 ZINC000477022422 489931472 /nfs/dbraw/zinc/93/14/72/489931472.db2.gz DSKZNMDOVWCULZ-UHFFFAOYSA-N -1 1 358.402 0.381 10 0 FCAEMM CCOc1ccc(-n2ncc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2C)nn1 ZINC000478094841 490004723 /nfs/dbraw/zinc/00/47/23/490004723.db2.gz YTICGLRTLSUGRN-JTQLQIEISA-N -1 1 371.405 0.758 10 0 FCAEMM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000478581401 490026938 /nfs/dbraw/zinc/02/69/38/490026938.db2.gz PSMYWOCCTDRCST-SECBINFHSA-N -1 1 355.424 0.090 10 0 FCAEMM COc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)cc(Cl)c1[O-] ZINC000442972572 490063178 /nfs/dbraw/zinc/06/31/78/490063178.db2.gz YMZMDSSPKUPZLH-UHFFFAOYSA-N -1 1 362.835 0.514 10 0 FCAEMM COC(=O)C1CCC([N-]S(=O)(=O)CC(C)(C)OC)(C(=O)OC)CC1 ZINC000564340604 491301687 /nfs/dbraw/zinc/30/16/87/491301687.db2.gz VSYSVFBPUUUKRE-UHFFFAOYSA-N -1 1 365.448 0.606 10 0 FCAEMM COc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(OC)c1 ZINC000392177839 490147885 /nfs/dbraw/zinc/14/78/85/490147885.db2.gz RLAWWNRVTCTGTD-UHFFFAOYSA-N -1 1 358.416 0.485 10 0 FCAEMM COc1ncccc1-c1noc(C[N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000547060062 490266821 /nfs/dbraw/zinc/26/68/21/490266821.db2.gz CGJYLADMFYIZBV-UHFFFAOYSA-N -1 1 350.360 0.352 10 0 FCAEMM Cc1cnc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c([O-])c1 ZINC000408371672 490318100 /nfs/dbraw/zinc/31/81/00/490318100.db2.gz CRASTCNYVSTNRL-ZDUSSCGKSA-N -1 1 369.443 0.362 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)N1CCc2ccccc2C1 ZINC000547565419 490319188 /nfs/dbraw/zinc/31/91/88/490319188.db2.gz NTWAFMGYSUFYDZ-MRXNPFEDSA-N -1 1 367.471 0.818 10 0 FCAEMM Cc1nnnn1-c1cc(NS(=O)(=O)c2cccnc2)ccc1C(=O)[O-] ZINC000547934515 490390842 /nfs/dbraw/zinc/39/08/42/490390842.db2.gz QEQOZUHQQAMQCJ-UHFFFAOYSA-N -1 1 360.355 0.865 10 0 FCAEMM CS(=O)(=O)Nc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccc1F ZINC000522855211 490413444 /nfs/dbraw/zinc/41/34/44/490413444.db2.gz VYMBUMWBUNPZBO-UHFFFAOYSA-N -1 1 368.394 0.910 10 0 FCAEMM CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nc(=O)n(C)[n-]1 ZINC000499483107 490428610 /nfs/dbraw/zinc/42/86/10/490428610.db2.gz GHMYRUUAHXJPBR-UHFFFAOYSA-N -1 1 368.444 0.418 10 0 FCAEMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000548217838 490442672 /nfs/dbraw/zinc/44/26/72/490442672.db2.gz SAHBVSNIQLWCIL-HNNXBMFYSA-N -1 1 354.428 0.934 10 0 FCAEMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468952959 490468816 /nfs/dbraw/zinc/46/88/16/490468816.db2.gz LZLZFTKJUIZNMG-NEPJUHHUSA-N -1 1 371.459 0.988 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)o1 ZINC000468968592 490471263 /nfs/dbraw/zinc/47/12/63/490471263.db2.gz ORTOCVPNIMEOTA-GFCCVEGCSA-N -1 1 371.371 0.382 10 0 FCAEMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)n1 ZINC000451032810 490508919 /nfs/dbraw/zinc/50/89/19/490508919.db2.gz ZWLCULULLMRSRH-UHFFFAOYSA-N -1 1 370.387 0.972 10 0 FCAEMM CCOCCOc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000500604104 490537830 /nfs/dbraw/zinc/53/78/30/490537830.db2.gz QBZCZBZNOLZDPY-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM CCOCCOc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000500604104 490537835 /nfs/dbraw/zinc/53/78/35/490537835.db2.gz QBZCZBZNOLZDPY-UHFFFAOYSA-N -1 1 354.388 0.876 10 0 FCAEMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)no1 ZINC000500933155 490562255 /nfs/dbraw/zinc/56/22/55/490562255.db2.gz AFAHZAZZYFMOAX-UHFFFAOYSA-N -1 1 360.779 0.374 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cn1 ZINC000486546212 490645064 /nfs/dbraw/zinc/64/50/64/490645064.db2.gz CZXMQRWOUPNAQW-UHFFFAOYSA-N -1 1 353.335 0.872 10 0 FCAEMM CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)[C@@H]1c1cccnc1 ZINC000537122152 490650606 /nfs/dbraw/zinc/65/06/06/490650606.db2.gz DSRXPEZBMHMJCW-IPYPFGDCSA-N -1 1 355.402 0.520 10 0 FCAEMM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000537124921 490650832 /nfs/dbraw/zinc/65/08/32/490650832.db2.gz NOTPSHNZTBGRBW-MRVPVSSYSA-N -1 1 356.433 0.189 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cn(-c3ccccc3Cl)nn2)[n-]1 ZINC000512587463 490689055 /nfs/dbraw/zinc/68/90/55/490689055.db2.gz OUHJQDUASAUIAZ-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CS(=O)(=O)c1nc(NC(=O)c2cn(-c3ccccc3Cl)nn2)n[n-]1 ZINC000512587463 490689059 /nfs/dbraw/zinc/68/90/59/490689059.db2.gz OUHJQDUASAUIAZ-UHFFFAOYSA-N -1 1 367.778 0.695 10 0 FCAEMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000487352909 490707481 /nfs/dbraw/zinc/70/74/81/490707481.db2.gz DKUWXNLXNVEFIV-BDAKNGLRSA-N -1 1 364.370 0.699 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)cc1[N-]S(C)(=O)=O ZINC000538098592 490710798 /nfs/dbraw/zinc/71/07/98/490710798.db2.gz JDVJKVBEDOLUKE-VHSXEESVSA-N -1 1 373.431 0.138 10 0 FCAEMM O=C(CSCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)N1CCCCC1 ZINC000538224261 490720909 /nfs/dbraw/zinc/72/09/09/490720909.db2.gz SDQAQPLXMOHPEF-GFCCVEGCSA-N -1 1 352.464 0.651 10 0 FCAEMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nc1 ZINC000538419876 490732359 /nfs/dbraw/zinc/73/23/59/490732359.db2.gz DAMKQWDFFXNXQU-UHFFFAOYSA-N -1 1 367.334 0.938 10 0 FCAEMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C(N)=O)c3)cc2)c1=O ZINC000538842552 490753959 /nfs/dbraw/zinc/75/39/59/490753959.db2.gz BWUIXGUCROOIKO-UHFFFAOYSA-N -1 1 373.394 0.471 10 0 FCAEMM COC(=O)CCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](C)C1 ZINC000539238165 490771944 /nfs/dbraw/zinc/77/19/44/490771944.db2.gz IUFAPARYBGVZFD-LBPRGKRZSA-N -1 1 358.398 0.633 10 0 FCAEMM CC(C)Cc1ccccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000528447214 490798117 /nfs/dbraw/zinc/79/81/17/490798117.db2.gz FFZJLUSLSZRPOT-UHFFFAOYSA-N -1 1 365.455 0.761 10 0 FCAEMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000541495274 490863871 /nfs/dbraw/zinc/86/38/71/490863871.db2.gz RNQMGWQYIDPBRX-NSHDSACASA-N -1 1 355.416 0.472 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCO1 ZINC000529744485 490871177 /nfs/dbraw/zinc/87/11/77/490871177.db2.gz RAIMTPUIZDZYIX-LLVKDONJSA-N -1 1 365.434 0.558 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)o1 ZINC000529766207 490875492 /nfs/dbraw/zinc/87/54/92/490875492.db2.gz LZGZWYSEVIXCFM-WDEREUQCSA-N -1 1 360.432 0.626 10 0 FCAEMM C[C@H]1CC[N@@H+](CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000565203996 491360012 /nfs/dbraw/zinc/36/00/12/491360012.db2.gz KZUVBYZIYGUNBU-NSHDSACASA-N -1 1 361.414 0.701 10 0 FCAEMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c(C)n1[C@H]1CCOC1 ZINC000530262062 490895775 /nfs/dbraw/zinc/89/57/75/490895775.db2.gz JNVTZNYKTDQKEX-JTQLQIEISA-N -1 1 353.404 0.840 10 0 FCAEMM Cc1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c(C)n1[C@H]1CCOC1 ZINC000530262062 490895776 /nfs/dbraw/zinc/89/57/76/490895776.db2.gz JNVTZNYKTDQKEX-JTQLQIEISA-N -1 1 353.404 0.840 10 0 FCAEMM COc1ccc(NC(=O)[C@H](O)C2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000530573654 490913600 /nfs/dbraw/zinc/91/36/00/490913600.db2.gz TUDWUEOMTWHMFW-CQSZACIVSA-N -1 1 358.416 0.793 10 0 FCAEMM Cn1ccnc1CN1CCC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000531123497 490941739 /nfs/dbraw/zinc/94/17/39/490941739.db2.gz LOTVJGVXCBZRPW-UHFFFAOYSA-N -1 1 358.450 0.731 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)o1 ZINC000595367071 491924730 /nfs/dbraw/zinc/92/47/30/491924730.db2.gz LRVVKFOJUQCMAA-NSHDSACASA-N -1 1 371.415 0.635 10 0 FCAEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[C@@H]1n1cccn1 ZINC000572494734 491373785 /nfs/dbraw/zinc/37/37/85/491373785.db2.gz LIQMJCYZOOZDOY-QKCSRTOESA-N -1 1 369.399 0.960 10 0 FCAEMM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)N(C)CCOC)c1 ZINC000572726510 491389350 /nfs/dbraw/zinc/38/93/50/491389350.db2.gz YPYHTUOBZPSRJL-UHFFFAOYSA-N -1 1 368.253 0.866 10 0 FCAEMM COc1ccc(-c2n[n-]c(S(=O)(=O)C[C@@H](C)CS(C)(=O)=O)n2)cc1 ZINC000559985297 491513398 /nfs/dbraw/zinc/51/33/98/491513398.db2.gz NYKSWGAACUKZRR-JTQLQIEISA-N -1 1 373.456 0.935 10 0 FCAEMM COc1ccc(-c2nc(S(=O)(=O)C[C@@H](C)CS(C)(=O)=O)n[n-]2)cc1 ZINC000559985297 491513400 /nfs/dbraw/zinc/51/34/00/491513400.db2.gz NYKSWGAACUKZRR-JTQLQIEISA-N -1 1 373.456 0.935 10 0 FCAEMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC3CCC2CC3)o1 ZINC000567952859 491542949 /nfs/dbraw/zinc/54/29/49/491542949.db2.gz BAKZKMSBPDTGIG-HTAVTVPLSA-N -1 1 369.443 0.599 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000584362501 491583309 /nfs/dbraw/zinc/58/33/09/491583309.db2.gz DPZUHBTWNIXLTO-AWEZNQCLSA-N -1 1 359.423 0.766 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](CO)c1cccnc1 ZINC000561652091 491623013 /nfs/dbraw/zinc/62/30/13/491623013.db2.gz DIWVVBJSOOYJGM-AWEZNQCLSA-N -1 1 355.398 0.882 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000576561774 491624721 /nfs/dbraw/zinc/62/47/21/491624721.db2.gz UEMYOLGHXPFPDO-MRCXROJRSA-N -1 1 357.414 0.720 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000576561773 491625150 /nfs/dbraw/zinc/62/51/50/491625150.db2.gz UEMYOLGHXPFPDO-IUPBHXKESA-N -1 1 357.414 0.720 10 0 FCAEMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C[C@@H]1C(=O)[O-] ZINC000579354028 491696035 /nfs/dbraw/zinc/69/60/35/491696035.db2.gz OWQFTPCVXUYOSG-YPMHNXCESA-N -1 1 357.370 0.775 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)CCN3C(=O)COc4ccccc43)nc2n1 ZINC000588006511 491737119 /nfs/dbraw/zinc/73/71/19/491737119.db2.gz LQMIVABRHBIRFH-UHFFFAOYSA-N -1 1 368.353 0.480 10 0 FCAEMM COCc1ccccc1CS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC ZINC000588110491 491739312 /nfs/dbraw/zinc/73/93/12/491739312.db2.gz VVKZUSMFMISIDZ-ZDUSSCGKSA-N -1 1 359.400 0.357 10 0 FCAEMM COC(=O)[C@H](CF)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000588781862 491749225 /nfs/dbraw/zinc/74/92/25/491749225.db2.gz IVQNXBMHGPFBOZ-QMMMGPOBSA-N -1 1 350.368 0.597 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000588899835 491751228 /nfs/dbraw/zinc/75/12/28/491751228.db2.gz YHVYBYNSGDLFBA-ZDUSSCGKSA-N -1 1 372.443 0.674 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cn1C ZINC000589150291 491756503 /nfs/dbraw/zinc/75/65/03/491756503.db2.gz ZJJUDHXYZAFVQZ-UHFFFAOYSA-N -1 1 360.399 0.766 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000582846397 491829092 /nfs/dbraw/zinc/82/90/92/491829092.db2.gz ZWTKIZTWSLUAGY-RBSFLKMASA-N -1 1 369.462 0.029 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccnn1C ZINC000592089851 491831264 /nfs/dbraw/zinc/83/12/64/491831264.db2.gz BGPLKRBFMSKOLW-CQSZACIVSA-N -1 1 366.399 0.571 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccnn1C ZINC000592092038 491831507 /nfs/dbraw/zinc/83/15/07/491831507.db2.gz LYNNTSHCOONFMF-CQSZACIVSA-N -1 1 351.384 0.815 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(OC)cc(OC)c1)c1ccnn1C ZINC000592090948 491831685 /nfs/dbraw/zinc/83/16/85/491831685.db2.gz FWPKVTYGTFNCQL-AWEZNQCLSA-N -1 1 369.399 0.630 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)o1 ZINC000594847345 491866098 /nfs/dbraw/zinc/86/60/98/491866098.db2.gz DIVSIDSFSRBHPN-DTWKUNHWSA-N -1 1 351.402 0.310 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000594850232 491866542 /nfs/dbraw/zinc/86/65/42/491866542.db2.gz VQSZCNYGCKYUCI-SCZZXKLOSA-N -1 1 351.402 0.310 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)co1 ZINC000600556553 491868360 /nfs/dbraw/zinc/86/83/60/491868360.db2.gz MKBDUHPJEFFNBN-FRRDWIJNSA-N -1 1 370.427 0.992 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000601284518 491901810 /nfs/dbraw/zinc/90/18/10/491901810.db2.gz JBUVHZJSYOEVFP-CABCVRRESA-N -1 1 366.439 0.453 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1 ZINC000601363023 491908868 /nfs/dbraw/zinc/90/88/68/491908868.db2.gz ZJVCDPDRFHNNDW-DZGCQCFKSA-N -1 1 354.428 0.831 10 0 FCAEMM CC(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000601367908 491909094 /nfs/dbraw/zinc/90/90/94/491909094.db2.gz DUWGBTLQCCMWRB-KGLIPLIRSA-N -1 1 364.508 0.993 10 0 FCAEMM Cn1nnnc1CCNC(=O)c1ccc(I)c([O-])c1 ZINC000612834687 491954192 /nfs/dbraw/zinc/95/41/92/491954192.db2.gz NTVFGKWVOXLPBD-UHFFFAOYSA-N -1 1 373.154 0.493 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NCCN3CCS(=O)(=O)CC3)cnc2n1 ZINC000613762524 491998308 /nfs/dbraw/zinc/99/83/08/491998308.db2.gz HTYGFOYUCIYHLX-UHFFFAOYSA-N -1 1 364.427 0.104 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCN1CCS(=O)(=O)CC1)c2=O ZINC000613762524 491998309 /nfs/dbraw/zinc/99/83/09/491998309.db2.gz HTYGFOYUCIYHLX-UHFFFAOYSA-N -1 1 364.427 0.104 10 0 FCAEMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2)n1 ZINC000597583340 492049102 /nfs/dbraw/zinc/04/91/02/492049102.db2.gz UUGFTBMCXPIVMZ-GFCCVEGCSA-N -1 1 372.385 0.288 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@H]2CN3CCN2CCC3)c1 ZINC000597625142 492052204 /nfs/dbraw/zinc/05/22/04/492052204.db2.gz GPUJDLWWYJDWSV-LFPIHBKWSA-N -1 1 351.472 0.309 10 0 FCAEMM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000598005408 492077953 /nfs/dbraw/zinc/07/79/53/492077953.db2.gz GQXNXDLMUMNCHJ-JOYOIKCWSA-N -1 1 374.415 0.417 10 0 FCAEMM O=C(CCn1cnc2ccccc2c1=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381477 492093215 /nfs/dbraw/zinc/09/32/15/492093215.db2.gz SKLOAOAKJKUWEI-UHFFFAOYSA-N -1 1 353.386 0.885 10 0 FCAEMM O=C(CCNS(=O)(=O)c1ccccc1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381572 492093263 /nfs/dbraw/zinc/09/32/63/492093263.db2.gz AURFUVVMKDSJNS-UHFFFAOYSA-N -1 1 364.431 0.454 10 0 FCAEMM Cc1ccc(CNC(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605531426 492097820 /nfs/dbraw/zinc/09/78/20/492097820.db2.gz ZHLLVNQFBGNMOV-UHFFFAOYSA-N -1 1 357.418 0.893 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN2c2nccs2)n[n-]1 ZINC000615919614 492107697 /nfs/dbraw/zinc/10/76/97/492107697.db2.gz HNFSOKFLRCYNER-SECBINFHSA-N -1 1 350.404 0.723 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN2c2nccs2)n1 ZINC000615919614 492107700 /nfs/dbraw/zinc/10/77/00/492107700.db2.gz HNFSOKFLRCYNER-SECBINFHSA-N -1 1 350.404 0.723 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc3ccc(C)cn3c2=O)n1 ZINC000616028680 492114880 /nfs/dbraw/zinc/11/48/80/492114880.db2.gz NKBKKKLXVJSBPS-UHFFFAOYSA-N -1 1 356.342 0.228 10 0 FCAEMM CC(C)(C)NS(=O)(=O)CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000598896527 492120671 /nfs/dbraw/zinc/12/06/71/492120671.db2.gz ZUGLTLNOUZQKPW-LBPRGKRZSA-N -1 1 352.420 0.123 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1F ZINC000599325151 492160340 /nfs/dbraw/zinc/16/03/40/492160340.db2.gz ANNMXJQTJJEKDR-SECBINFHSA-N -1 1 362.354 0.698 10 0 FCAEMM COC(=O)Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)no2)cc1 ZINC000599382342 492166129 /nfs/dbraw/zinc/16/61/29/492166129.db2.gz NCSZFLRYWMZJSY-UHFFFAOYSA-N -1 1 368.367 0.655 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000608365769 492174290 /nfs/dbraw/zinc/17/42/90/492174290.db2.gz BGBKQYZDNVSAOY-NXEZZACHSA-N -1 1 356.375 0.505 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000599475703 492177722 /nfs/dbraw/zinc/17/77/22/492177722.db2.gz BDGFARNKKVPOHH-UHFFFAOYSA-N -1 1 350.343 0.313 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617709894 492181502 /nfs/dbraw/zinc/18/15/02/492181502.db2.gz BHNFUYHNWCEPLS-KRWDZBQOSA-N -1 1 353.419 0.686 10 0 FCAEMM COC(=O)c1oc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)cc1C ZINC000599524009 492183569 /nfs/dbraw/zinc/18/35/69/492183569.db2.gz KCDSAVWBWITAQS-NSHDSACASA-N -1 1 356.400 0.806 10 0 FCAEMM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1ncc(C)cc1[O-] ZINC000600015138 492230459 /nfs/dbraw/zinc/23/04/59/492230459.db2.gz GMUWWYCLFYGCHA-QWRGUYRKSA-N -1 1 367.427 0.679 10 0 FCAEMM C[C@]1(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1(F)F ZINC000618628446 492232536 /nfs/dbraw/zinc/23/25/36/492232536.db2.gz OORZIMSSQJQZMZ-LBPRGKRZSA-N -1 1 365.358 0.208 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)CCOC1 ZINC000610679934 492258454 /nfs/dbraw/zinc/25/84/54/492258454.db2.gz PLKWFBNRJWODLV-ZDUSSCGKSA-N -1 1 351.327 0.584 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)co1 ZINC000600464847 492272142 /nfs/dbraw/zinc/27/21/42/492272142.db2.gz ZXCRHGYZZQDHSG-PWSUYJOCSA-N -1 1 374.415 0.276 10 0 FCAEMM C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[C@H]1C(=O)[O-] ZINC000647483760 492294481 /nfs/dbraw/zinc/29/44/81/492294481.db2.gz IYVCJHWRJXCXHL-SMDDNHRTSA-N -1 1 357.370 0.775 10 0 FCAEMM CC1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000647484888 492294788 /nfs/dbraw/zinc/29/47/88/492294788.db2.gz PZNLSOYGIZBKDH-UHFFFAOYSA-N -1 1 357.370 0.919 10 0 FCAEMM COc1ccc(C(=O)NCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000647658930 492341552 /nfs/dbraw/zinc/34/15/52/492341552.db2.gz AGGWTPIOZXBDSW-LBPRGKRZSA-N -1 1 360.370 0.920 10 0 FCAEMM Cn1ncnc1CCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000627902556 492416398 /nfs/dbraw/zinc/41/63/98/492416398.db2.gz YDWJCHDFWLFYDQ-UHFFFAOYSA-N -1 1 369.447 0.848 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCC(F)(F)CC1 ZINC000655664282 492474506 /nfs/dbraw/zinc/47/45/06/492474506.db2.gz SIQBOPXMTLHGHI-VIFPVBQESA-N -1 1 365.402 0.576 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(OC4CCOCC4)cc3)nc2n1 ZINC000622871188 492492158 /nfs/dbraw/zinc/49/21/58/492492158.db2.gz SVOZZKZMOJRISA-UHFFFAOYSA-N -1 1 369.381 0.958 10 0 FCAEMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000622871290 492492168 /nfs/dbraw/zinc/49/21/68/492492168.db2.gz XECBAYUBUBFZJC-PSASIEDQSA-N -1 1 364.431 0.612 10 0 FCAEMM C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C(=O)[O-] ZINC000656006652 492513238 /nfs/dbraw/zinc/51/32/38/492513238.db2.gz UFDYDDMQHYNGTM-CABCVRRESA-N -1 1 361.442 0.946 10 0 FCAEMM C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)C(=O)[O-] ZINC000656006748 492513461 /nfs/dbraw/zinc/51/34/61/492513461.db2.gz UFDYDDMQHYNGTM-HUUCEWRRSA-N -1 1 361.442 0.946 10 0 FCAEMM C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)C(=O)[O-] ZINC000656006747 492513674 /nfs/dbraw/zinc/51/36/74/492513674.db2.gz UFDYDDMQHYNGTM-GJZGRUSLSA-N -1 1 361.442 0.946 10 0 FCAEMM COc1cc2[nH]cc(C(=O)NC[C@@H](O)[C@@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600969 492529120 /nfs/dbraw/zinc/52/91/20/492529120.db2.gz HUBRVNAYWPSNRI-KGLIPLIRSA-N -1 1 362.382 0.815 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)nc2n1 ZINC000643909345 492601362 /nfs/dbraw/zinc/60/13/62/492601362.db2.gz SYVKYKYVKCUHEJ-NSHDSACASA-N -1 1 360.418 0.949 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)o1 ZINC000629403461 492622181 /nfs/dbraw/zinc/62/21/81/492622181.db2.gz WDGMGSIFWIFSMZ-JTQLQIEISA-N -1 1 373.431 0.073 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N[C@H](C)Cn3cncn3)c(=O)c2c(OC)c1 ZINC000624249780 492631705 /nfs/dbraw/zinc/63/17/05/492631705.db2.gz YANATVNKERUFSF-SNVBAGLBSA-N -1 1 357.370 0.955 10 0 FCAEMM COc1ncc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000650387531 492636726 /nfs/dbraw/zinc/63/67/26/492636726.db2.gz PIPKSZKGVYBFCH-SNVBAGLBSA-N -1 1 360.779 0.441 10 0 FCAEMM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ncccc1Br ZINC000656877063 492658202 /nfs/dbraw/zinc/65/82/02/492658202.db2.gz JAGYZIJUFMPBON-SNVBAGLBSA-N -1 1 364.265 0.843 10 0 FCAEMM O=S(=O)([N-]C[C@H]1CCCS1(=O)=O)c1ncccc1Br ZINC000656937128 492673496 /nfs/dbraw/zinc/67/34/96/492673496.db2.gz GBEIVDOYVXXIEM-MRVPVSSYSA-N -1 1 369.262 0.700 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1)[C@@H]1CCOC1 ZINC000656956497 492678812 /nfs/dbraw/zinc/67/88/12/492678812.db2.gz INOSOYORTBTMLL-HTQZYQBOSA-N -1 1 359.326 0.559 10 0 FCAEMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCOC1)c1ncccc1Br ZINC000657013176 492693557 /nfs/dbraw/zinc/69/35/57/492693557.db2.gz KSUIMAKVOLBAMT-MWLCHTKSSA-N -1 1 365.249 0.910 10 0 FCAEMM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(F)c(F)c1F ZINC000657083377 492711076 /nfs/dbraw/zinc/71/10/76/492711076.db2.gz BINGLOBDEVJJFD-CYBMUJFWSA-N -1 1 355.334 0.550 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(F)c1 ZINC000657086343 492713077 /nfs/dbraw/zinc/71/30/77/492713077.db2.gz LOJCRFZGODATSY-AWEZNQCLSA-N -1 1 367.370 0.420 10 0 FCAEMM COCCN(CCF)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657116567 492723928 /nfs/dbraw/zinc/72/39/28/492723928.db2.gz DZZRMMJOKAXJGT-UHFFFAOYSA-N -1 1 372.415 0.804 10 0 FCAEMM N=c1nc(N2CCN(C(=O)N[C@@H](C3CC3)C3CCOCC3)CC2)s[n-]1 ZINC000651247794 492728061 /nfs/dbraw/zinc/72/80/61/492728061.db2.gz DETHFIQXGPOKTN-ZDUSSCGKSA-N -1 1 366.491 0.987 10 0 FCAEMM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC000625195020 492737758 /nfs/dbraw/zinc/73/77/58/492737758.db2.gz ORGGPKJRALLWSX-OLZOCXBDSA-N -1 1 358.391 0.060 10 0 FCAEMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000625279076 492750788 /nfs/dbraw/zinc/75/07/88/492750788.db2.gz QHYMBZDWXXHZJT-UWVGGRQHSA-N -1 1 363.448 0.789 10 0 FCAEMM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000625279075 492750933 /nfs/dbraw/zinc/75/09/33/492750933.db2.gz QHYMBZDWXXHZJT-NXEZZACHSA-N -1 1 363.448 0.789 10 0 FCAEMM COCc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1C(F)(F)F ZINC000657657660 492772910 /nfs/dbraw/zinc/77/29/10/492772910.db2.gz RUJFLMHLNSLMGQ-UHFFFAOYSA-N -1 1 358.280 0.620 10 0 FCAEMM CCN1CCN([C@@H](C)CN=c2nn[n-]n2Cc2ccc(OC)cc2)CC1 ZINC000631059665 492795872 /nfs/dbraw/zinc/79/58/72/492795872.db2.gz PLAPPWMYALWDOM-HNNXBMFYSA-N -1 1 359.478 0.590 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)CCOCC1 ZINC000651636129 492797735 /nfs/dbraw/zinc/79/77/35/492797735.db2.gz ZLTKJYMEOGJZMK-CQSZACIVSA-N -1 1 372.418 0.656 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000631895884 492872216 /nfs/dbraw/zinc/87/22/16/492872216.db2.gz ZKDPXAIMGPGRHP-UHFFFAOYSA-N -1 1 363.853 0.724 10 0 FCAEMM O=C1C[C@@H](S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)CN1C1CC1 ZINC000632014975 492911809 /nfs/dbraw/zinc/91/18/09/492911809.db2.gz XYBVBEAZPBCUCF-MFKMUULPSA-N -1 1 360.382 0.681 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)c(C(F)(F)F)n1 ZINC000645838878 492981992 /nfs/dbraw/zinc/98/19/92/492981992.db2.gz QAEYRBWWZKGIHE-LBPRGKRZSA-N -1 1 371.381 0.895 10 0 FCAEMM CC1(C)[C@@H]([N-]S(=O)(=O)c2ncccc2Br)CS1(=O)=O ZINC000632495119 493011898 /nfs/dbraw/zinc/01/18/98/493011898.db2.gz GROQEGMXYCTVGE-QMMMGPOBSA-N -1 1 369.262 0.698 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2ccnn2C)co1 ZINC000652984488 493053589 /nfs/dbraw/zinc/05/35/89/493053589.db2.gz SNMUOZQJTPJIBU-LBPRGKRZSA-N -1 1 354.388 0.135 10 0 FCAEMM CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000659408495 493167635 /nfs/dbraw/zinc/16/76/35/493167635.db2.gz VRVVESIADMFAIP-LSDHHAIUSA-N -1 1 371.397 0.978 10 0 FCAEMM COc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)on1 ZINC000660014756 493315213 /nfs/dbraw/zinc/31/52/13/493315213.db2.gz XCRVVIAPRIBNFC-UHFFFAOYSA-N -1 1 358.397 0.492 10 0 FCAEMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000660106641 493325773 /nfs/dbraw/zinc/32/57/73/493325773.db2.gz GDFMMPJBIRYMNX-UHFFFAOYSA-N -1 1 363.452 0.079 10 0 FCAEMM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000660115222 493326358 /nfs/dbraw/zinc/32/63/58/493326358.db2.gz ICBFJDZJIFSWLL-AWEZNQCLSA-N -1 1 363.439 0.748 10 0 FCAEMM CCN1C(=O)[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)CCN2C1=O ZINC000675104586 493467881 /nfs/dbraw/zinc/46/78/81/493467881.db2.gz HAHGRUADPLTJPH-LBPRGKRZSA-N -1 1 355.354 0.032 10 0 FCAEMM Cc1ccc2c([O-])c(C(=O)NC3CC(NS(C)(=O)=O)C3)cnc2n1 ZINC000670266023 493557400 /nfs/dbraw/zinc/55/74/00/493557400.db2.gz MBTVZOMGIVRKFE-UHFFFAOYSA-N -1 1 350.400 0.454 10 0 FCAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CC(NS(C)(=O)=O)C1)c2=O ZINC000670266023 493557403 /nfs/dbraw/zinc/55/74/03/493557403.db2.gz MBTVZOMGIVRKFE-UHFFFAOYSA-N -1 1 350.400 0.454 10 0 FCAEMM Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1NS(C)(=O)=O ZINC000677047834 493583039 /nfs/dbraw/zinc/58/30/39/493583039.db2.gz MKCFWPAKUVMCAJ-GFCCVEGCSA-N -1 1 364.431 0.899 10 0 FCAEMM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)C1CCC1 ZINC000663634157 493607712 /nfs/dbraw/zinc/60/77/12/493607712.db2.gz CNXZLWIUZJPMRB-OAHLLOKOSA-N -1 1 351.447 0.690 10 0 FCAEMM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677924883 493624928 /nfs/dbraw/zinc/62/49/28/493624928.db2.gz BGMNRULATDKPMO-WDEREUQCSA-N -1 1 368.401 0.601 10 0 FCAEMM COc1cccc([C@@H]2[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCN2C2CC2)c1 ZINC000679265625 493673574 /nfs/dbraw/zinc/67/35/74/493673574.db2.gz HGBLLCBJVDSPFM-DZGCQCFKSA-N -1 1 371.397 0.999 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000424865942 536923596 /nfs/dbraw/zinc/92/35/96/536923596.db2.gz NCLDVJUROHSEMZ-LFPIHBKWSA-N -1 1 354.472 0.766 10 0 FCAEMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000601330029 546589497 /nfs/dbraw/zinc/58/94/97/546589497.db2.gz PBWIEZYVSKULMN-UKRRQHHQSA-N -1 1 352.412 0.583 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccnn1C ZINC000592093775 546610912 /nfs/dbraw/zinc/61/09/12/546610912.db2.gz YBQQRCCHQNHBMW-AWEZNQCLSA-N -1 1 367.383 0.384 10 0 FCAEMM CCOC(=O)CC1(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)CC1 ZINC000592094087 546611238 /nfs/dbraw/zinc/61/12/38/546611238.db2.gz AQXIGGLUUNWRRA-GFCCVEGCSA-N -1 1 359.404 0.039 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)o1 ZINC000593627094 546723725 /nfs/dbraw/zinc/72/37/25/546723725.db2.gz PREBWSPEKSLKSE-UHFFFAOYSA-N -1 1 367.383 0.798 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C(N)=O)c1)c1ccnn1C ZINC000594794910 546826473 /nfs/dbraw/zinc/82/64/73/546826473.db2.gz LVDRLZFSACRVGH-ZDUSSCGKSA-N -1 1 366.399 0.020 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000594803509 546827201 /nfs/dbraw/zinc/82/72/01/546827201.db2.gz PRFCWWVHZCUZLM-LBPRGKRZSA-N -1 1 364.379 0.932 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000594806935 546828706 /nfs/dbraw/zinc/82/87/06/546828706.db2.gz FDUILVBBKTWYCS-RAIGVLPGSA-N -1 1 361.416 0.911 10 0 FCAEMM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(=O)OC ZINC000594785977 546834789 /nfs/dbraw/zinc/83/47/89/546834789.db2.gz WSRNSTOHWHIJRF-CRWXNKLISA-N -1 1 351.465 0.935 10 0 FCAEMM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000477061829 546942231 /nfs/dbraw/zinc/94/22/31/546942231.db2.gz ZQHLWNFEEWHPHI-UHFFFAOYSA-N -1 1 365.415 0.810 10 0 FCAEMM CCOC(=O)Cn1cnc([N-]C(=O)c2nscc2Br)n1 ZINC000593176563 547374758 /nfs/dbraw/zinc/37/47/58/547374758.db2.gz MPGQGVKKTSAWFV-UHFFFAOYSA-N -1 1 360.193 1.313 10 0 FCAEMM CCN1CCN(CC(=O)N[N-]C(=O)C(F)(F)Oc2ccccc2)CC1 ZINC000081445004 674468759 /nfs/dbraw/zinc/46/87/59/674468759.db2.gz DQEFUWVROSKBIW-UHFFFAOYSA-N -1 1 356.373 0.443 10 0 FCAEMM Cn1[n-]c(Br)c2c(=NCCNC(=O)C(F)(F)F)ncnc1-2 ZINC000729462237 665716706 /nfs/dbraw/zinc/71/67/06/665716706.db2.gz IBTWXZLQOUPDEX-UHFFFAOYSA-N -1 1 367.129 0.590 10 0 FCAEMM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(N3CCCC3)C2)c1 ZINC000898602794 665889133 /nfs/dbraw/zinc/88/91/33/665889133.db2.gz CTHDVPCOSDPMCW-UHFFFAOYSA-N -1 1 353.444 0.563 10 0 FCAEMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cn(C)cn3)n2)cn1 ZINC000904533039 665990498 /nfs/dbraw/zinc/99/04/98/665990498.db2.gz XCOXMIJHUGXCBA-UHFFFAOYSA-N -1 1 350.360 0.352 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000866965367 665251942 /nfs/dbraw/zinc/25/19/42/665251942.db2.gz HYDSVRNVANFGOG-XUSGNXJCSA-N -1 1 351.494 0.730 10 0 FCAEMM CC(C)(C)N1CCC[C@@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1=O ZINC000907477148 666132691 /nfs/dbraw/zinc/13/26/91/666132691.db2.gz REXNSJDLHAZBIM-QWRGUYRKSA-N -1 1 352.464 0.853 10 0 FCAEMM CC(C)(C)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1=O ZINC000907477147 666132776 /nfs/dbraw/zinc/13/27/76/666132776.db2.gz REXNSJDLHAZBIM-MNOVXSKESA-N -1 1 352.464 0.853 10 0 FCAEMM C[C@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)N1Cc2ccccc2C1=O ZINC000907479213 666136244 /nfs/dbraw/zinc/13/62/44/666136244.db2.gz ZSMOVUSFUIOHNO-ZWNOBZJWSA-N -1 1 358.427 0.861 10 0 FCAEMM CC(C)(O)[C@H](O)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000911196520 666326110 /nfs/dbraw/zinc/32/61/10/666326110.db2.gz FEACPMBIHITBHG-ZYHUDNBSSA-N -1 1 360.332 0.755 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000921322284 666433114 /nfs/dbraw/zinc/43/31/14/666433114.db2.gz PUMQQDUAFVVVMH-NEPJUHHUSA-N -1 1 360.457 0.924 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000921338483 666436045 /nfs/dbraw/zinc/43/60/45/666436045.db2.gz JNZLXRSZGHELOX-LBPRGKRZSA-N -1 1 370.258 0.360 10 0 FCAEMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000921379414 666442339 /nfs/dbraw/zinc/44/23/39/666442339.db2.gz ZGKPVHKAJUNTPX-MRVPVSSYSA-N -1 1 355.869 0.955 10 0 FCAEMM COCC(COC)S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000921381417 666442651 /nfs/dbraw/zinc/44/26/51/666442651.db2.gz BCOFBQUSWXWTMO-CQSZACIVSA-N -1 1 363.407 0.491 10 0 FCAEMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@](C)(O)c1cccc(F)c1 ZINC000921399686 666445234 /nfs/dbraw/zinc/44/52/34/666445234.db2.gz CFTUZQWPPNIKIS-GTJPDFRWSA-N -1 1 353.441 0.442 10 0 FCAEMM CO[C@]1(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCS(=O)(=O)C1 ZINC000921466031 666449172 /nfs/dbraw/zinc/44/91/72/666449172.db2.gz SDAMNLYKPLOOAX-LBPRGKRZSA-N -1 1 373.374 0.586 10 0 FCAEMM Cn1ncc(Br)c1CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913747311 666648066 /nfs/dbraw/zinc/64/80/66/666648066.db2.gz XEFYJHJQEZKCGY-UHFFFAOYSA-N -1 1 354.212 0.644 10 0 FCAEMM CC(C)(C)[C@H](O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000735840254 667053249 /nfs/dbraw/zinc/05/32/49/667053249.db2.gz PKWPKKDYEJFGFD-CQSZACIVSA-N -1 1 372.443 0.759 10 0 FCAEMM CN1CCN(CC2CN(S(=O)(=O)c3cccc(Cl)c3[O-])C2)CC1 ZINC000917889426 667091137 /nfs/dbraw/zinc/09/11/37/667091137.db2.gz FQOCGKYYUNDTSJ-UHFFFAOYSA-N -1 1 359.879 0.914 10 0 FCAEMM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ncccc1Br ZINC000921613540 667143968 /nfs/dbraw/zinc/14/39/68/667143968.db2.gz IRWORIATCMEUDA-KKZNHRDASA-N -1 1 363.233 0.926 10 0 FCAEMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCN1C1CCOCC1 ZINC000921912808 667539584 /nfs/dbraw/zinc/53/95/84/667539584.db2.gz VBTOVHNABCKXBA-CYBMUJFWSA-N -1 1 353.510 0.582 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)OC)c1F ZINC000921973484 667557366 /nfs/dbraw/zinc/55/73/66/667557366.db2.gz JKSKHAYPFMCVFA-SCZZXKLOSA-N -1 1 363.338 0.981 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2OC)co1 ZINC000756404518 667672996 /nfs/dbraw/zinc/67/29/96/667672996.db2.gz YARUEUOHAFKKRD-UHFFFAOYSA-N -1 1 368.367 0.992 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2cnn(C)n2)c(=O)[nH]c1=O ZINC000805100467 667679157 /nfs/dbraw/zinc/67/91/57/667679157.db2.gz AIWUPVRRDMMDLY-UHFFFAOYSA-N -1 1 370.435 0.136 10 0 FCAEMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1F ZINC000805137820 667721199 /nfs/dbraw/zinc/72/11/99/667721199.db2.gz JPAGBZRPCBEVRG-ZETCQYMHSA-N -1 1 355.290 0.541 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000758192769 667746875 /nfs/dbraw/zinc/74/68/75/667746875.db2.gz PXGMPCFIEWYBEW-LLVKDONJSA-N -1 1 363.805 0.370 10 0 FCAEMM COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000760100675 667836048 /nfs/dbraw/zinc/83/60/48/667836048.db2.gz NCSGWZVPUCFOCU-RMKNXTFCSA-N -1 1 370.427 0.510 10 0 FCAEMM COc1ccc(C(=O)[N-]C(=O)CN(C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000764444403 667983078 /nfs/dbraw/zinc/98/30/78/667983078.db2.gz SKCPCCRGTNMZRE-UHFFFAOYSA-N -1 1 356.444 0.707 10 0 FCAEMM C[C@@H](CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)NC(=O)OC(C)(C)C ZINC000765318284 668004620 /nfs/dbraw/zinc/00/46/20/668004620.db2.gz JPALAKRPWBERTA-WDEREUQCSA-N -1 1 354.411 0.793 10 0 FCAEMM Cn1[n-]c(COC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)nc1=O ZINC000765394186 668005477 /nfs/dbraw/zinc/00/54/77/668005477.db2.gz YQDARGZUHRNGMM-VMPITWQZSA-N -1 1 352.372 0.237 10 0 FCAEMM CSc1ccc(N2C[C@@H](C(=O)OCc3nc(=O)n(C)[n-]3)CC2=O)cc1 ZINC000765439555 668007020 /nfs/dbraw/zinc/00/70/20/668007020.db2.gz RZKGDITZXJJHPL-JTQLQIEISA-N -1 1 362.411 0.927 10 0 FCAEMM CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000766511003 668030823 /nfs/dbraw/zinc/03/08/23/668030823.db2.gz UQJVLAPETNSGBB-UHFFFAOYSA-N -1 1 359.828 0.819 10 0 FCAEMM Cn1cc(-c2ncc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)s2)cn1 ZINC000773156139 668075945 /nfs/dbraw/zinc/07/59/45/668075945.db2.gz ZRXNJAGABAJDEA-VIFPVBQESA-N -1 1 362.444 0.987 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC[S@](=O)CC)CC2)n1 ZINC000770682014 668210081 /nfs/dbraw/zinc/21/00/81/668210081.db2.gz LQCLZRSECDWSCK-RUZDIDTESA-N -1 1 371.463 0.639 10 0 FCAEMM O=C(c1cc[nH]c(=O)c1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000772226077 668294995 /nfs/dbraw/zinc/29/49/95/668294995.db2.gz MRWHYCWRODLMKO-ZETCQYMHSA-N -1 1 355.152 0.277 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)co1 ZINC000772922291 668335497 /nfs/dbraw/zinc/33/54/97/668335497.db2.gz DPKBLILTMHOZAF-GHMZBOCLSA-N -1 1 373.431 0.784 10 0 FCAEMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)OCC ZINC000788667543 668837626 /nfs/dbraw/zinc/83/76/26/668837626.db2.gz GJINONABERIQAW-ONRRBMGISA-N -1 1 359.404 0.681 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CCn2ccnn2)c(F)cc1Cl ZINC000795916420 669071174 /nfs/dbraw/zinc/07/11/74/669071174.db2.gz LNJRAZOQWGLSJB-UHFFFAOYSA-N -1 1 362.770 0.836 10 0 FCAEMM CC[S@](=O)CCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798421705 669236167 /nfs/dbraw/zinc/23/61/67/669236167.db2.gz OZAGFFZVYYGMNA-QHCPKHFHSA-N -1 1 357.398 0.855 10 0 FCAEMM Cc1nc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(=O)[nH]c1C ZINC000799023710 669276576 /nfs/dbraw/zinc/27/65/76/669276576.db2.gz HDHYUNSGKZKOLV-UHFFFAOYSA-N -1 1 360.336 0.917 10 0 FCAEMM CCN(CCc1nccs1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807020241 669460278 /nfs/dbraw/zinc/46/02/78/669460278.db2.gz SOVWWQHCZPTYGY-UHFFFAOYSA-N -1 1 358.427 0.828 10 0 FCAEMM CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000826686484 669509310 /nfs/dbraw/zinc/50/93/10/669509310.db2.gz ROUHUFOWKNMGLW-USWWRNFRSA-N -1 1 365.352 0.149 10 0 FCAEMM CO[C@@H]1COC[C@H]1NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000827473089 669572350 /nfs/dbraw/zinc/57/23/50/669572350.db2.gz CZKRUQZAJKEIKB-HGCLJGPKSA-N -1 1 367.368 0.887 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)nc1=O ZINC000811422871 669751364 /nfs/dbraw/zinc/75/13/64/669751364.db2.gz HAVWWRXIMXIBBO-ZETCQYMHSA-N -1 1 354.285 0.607 10 0 FCAEMM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831277390 669838876 /nfs/dbraw/zinc/83/88/76/669838876.db2.gz WKDVGRLYXXQFPN-JTQLQIEISA-N -1 1 358.807 0.911 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831399005 669844187 /nfs/dbraw/zinc/84/41/87/669844187.db2.gz XLCIYRCXQKZIHH-JGVFFNPUSA-N -1 1 356.857 0.059 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)N(C)OC)c(F)cc1Cl ZINC000817148499 670000958 /nfs/dbraw/zinc/00/09/58/670000958.db2.gz XSPIWWQQEJMPTD-UHFFFAOYSA-N -1 1 368.770 0.564 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCC1 ZINC000843018578 670768566 /nfs/dbraw/zinc/76/85/66/670768566.db2.gz YLXNLZSMDUPSTF-CYBMUJFWSA-N -1 1 371.503 0.708 10 0 FCAEMM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)s1 ZINC000843019772 670769350 /nfs/dbraw/zinc/76/93/50/670769350.db2.gz VXDSSGHFCYPYKS-UHFFFAOYSA-N -1 1 373.500 0.928 10 0 FCAEMM CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)[C@H](O)C(F)F ZINC000867331284 670847758 /nfs/dbraw/zinc/84/77/58/670847758.db2.gz RQDOCSKSXMPXOW-FSPLSTOPSA-N -1 1 362.196 0.866 10 0 FCAEMM CCOC(=O)COCC[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867345640 670894837 /nfs/dbraw/zinc/89/48/37/670894837.db2.gz SBJVMMSUKXJKTD-UHFFFAOYSA-N -1 1 359.326 0.297 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCN2CCC(O)CC2)c1C(F)(F)F ZINC000867362285 670931608 /nfs/dbraw/zinc/93/16/08/670931608.db2.gz VCLBLFOMQIWGOA-UHFFFAOYSA-N -1 1 356.370 0.174 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2COCO2)c(F)cc1Cl ZINC000867396502 671038579 /nfs/dbraw/zinc/03/85/79/671038579.db2.gz DFYYCCGOCRGPIG-ZETCQYMHSA-N -1 1 353.755 0.917 10 0 FCAEMM COC/C(C)=C\C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000845887554 671047402 /nfs/dbraw/zinc/04/74/02/671047402.db2.gz VKICDZNAUJFHAO-XFXZXTDPSA-N -1 1 370.427 0.944 10 0 FCAEMM COC(=O)CC1([N-]S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000845972167 671059428 /nfs/dbraw/zinc/05/94/28/671059428.db2.gz KCNQXLYMIQCAIK-UHFFFAOYSA-N -1 1 366.237 0.865 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)c1C(F)(F)F ZINC000867406301 671089190 /nfs/dbraw/zinc/08/91/90/671089190.db2.gz JKLMWZWYHJFROL-IUCAKERBSA-N -1 1 357.354 0.505 10 0 FCAEMM COc1cccc(S(=O)(=O)CCN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)c1 ZINC000846281987 671099281 /nfs/dbraw/zinc/09/92/81/671099281.db2.gz LGRUJFYSTMMRQN-GUYCJALGSA-N -1 1 369.439 0.892 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCN(C)C(=O)C2)c1C(F)(F)F ZINC000867427947 671122316 /nfs/dbraw/zinc/12/23/16/671122316.db2.gz ANEZMJPYDADNOI-MRVPVSSYSA-N -1 1 354.354 0.586 10 0 FCAEMM CCOC(=O)[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C1CCCCCC1 ZINC000848510621 671282451 /nfs/dbraw/zinc/28/24/51/671282451.db2.gz VJGIPQZGHQTRMX-CYBMUJFWSA-N -1 1 369.505 0.853 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]CC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000849369036 671329589 /nfs/dbraw/zinc/32/95/89/671329589.db2.gz WSGLHEYFEVKSSZ-CABCVRRESA-N -1 1 357.428 0.701 10 0 FCAEMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)[C@@H]1O ZINC000849398586 671336814 /nfs/dbraw/zinc/33/68/14/671336814.db2.gz YPLLRYLKOARQFT-KOLCDFICSA-N -1 1 369.486 0.285 10 0 FCAEMM CCc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC000851700863 671460479 /nfs/dbraw/zinc/46/04/79/671460479.db2.gz DEYMHNOGBYGETD-XCBNKYQSSA-N -1 1 363.292 0.973 10 0 FCAEMM CS(=O)(=O)CC1([N-]S(=O)(=O)CCc2cccc(Cl)c2)COC1 ZINC000903174960 675918351 /nfs/dbraw/zinc/91/83/51/675918351.db2.gz ARDTURZGOKVOQH-UHFFFAOYSA-N -1 1 367.876 0.616 10 0 FCAEMM Cn1ccnc1COCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526716 671582055 /nfs/dbraw/zinc/58/20/55/671582055.db2.gz OECMIJDNPKCGOS-LLVKDONJSA-N -1 1 362.352 0.854 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2C(=O)[N-]OCC1CC1 ZINC000854640931 671591696 /nfs/dbraw/zinc/59/16/96/671591696.db2.gz ZHTHECLJVSHJMG-LBPRGKRZSA-N -1 1 374.459 0.726 10 0 FCAEMM COC[C@@]1(C(=O)OC)CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000855377668 671639050 /nfs/dbraw/zinc/63/90/50/671639050.db2.gz VYMMHBTVAWFHAG-OAHLLOKOSA-N -1 1 350.400 0.812 10 0 FCAEMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858883914 671781116 /nfs/dbraw/zinc/78/11/16/671781116.db2.gz YTJDLHACVHYAMH-ZCFIWIBFSA-N -1 1 354.201 0.786 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(N)=O ZINC000858955520 671785380 /nfs/dbraw/zinc/78/53/80/671785380.db2.gz MSBKQXRAIXMENC-MRVPVSSYSA-N -1 1 354.201 0.771 10 0 FCAEMM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)ccc1F ZINC000903541146 675941099 /nfs/dbraw/zinc/94/10/99/675941099.db2.gz SNIPHJWNMLRQIB-SNVBAGLBSA-N -1 1 370.855 0.534 10 0 FCAEMM COCC[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(N)=O ZINC000859097872 671793580 /nfs/dbraw/zinc/79/35/80/671793580.db2.gz SCPKANHTUBTKMO-LURJTMIESA-N -1 1 370.200 0.152 10 0 FCAEMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859106486 671793860 /nfs/dbraw/zinc/79/38/60/671793860.db2.gz YPCJNZCMJHRFTH-UHFFFAOYSA-N -1 1 354.201 0.916 10 0 FCAEMM CCC[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(N)=O ZINC000859157805 671797003 /nfs/dbraw/zinc/79/70/03/671797003.db2.gz PAIXZVQDPPNBSL-LURJTMIESA-N -1 1 354.201 0.916 10 0 FCAEMM NC(=O)CC1(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859193685 671799461 /nfs/dbraw/zinc/79/94/61/671799461.db2.gz BGMXCCMQZCOKBL-UHFFFAOYSA-N -1 1 366.212 0.917 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000116614564 671802040 /nfs/dbraw/zinc/80/20/40/671802040.db2.gz CMCDXAIQWDAPFS-UHFFFAOYSA-N -1 1 358.763 0.885 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)[n-]1 ZINC000116614564 671802043 /nfs/dbraw/zinc/80/20/43/671802043.db2.gz CMCDXAIQWDAPFS-UHFFFAOYSA-N -1 1 358.763 0.885 10 0 FCAEMM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000859362051 671819686 /nfs/dbraw/zinc/81/96/86/671819686.db2.gz QLUVHMMHIMGXBM-UHFFFAOYSA-N -1 1 354.384 0.781 10 0 FCAEMM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000859395792 671822551 /nfs/dbraw/zinc/82/25/51/671822551.db2.gz YXTMEJCUQFFHEF-UHFFFAOYSA-N -1 1 359.429 0.202 10 0 FCAEMM O=C(COC(=O)[C@@H]1COC(=O)N1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000859908622 671853273 /nfs/dbraw/zinc/85/32/73/671853273.db2.gz AEVOEWJDHNKNDX-VIFPVBQESA-N -1 1 358.253 0.196 10 0 FCAEMM O=C(NCCN1CCC(O)CC1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861922232 672009423 /nfs/dbraw/zinc/00/94/23/672009423.db2.gz BOUCROWIFZGNDT-UHFFFAOYSA-N -1 1 363.336 0.645 10 0 FCAEMM S=c1nc(-c2ccccn2)[n-]n1CN1CCN(c2nccnn2)CC1 ZINC000863271831 672108768 /nfs/dbraw/zinc/10/87/68/672108768.db2.gz HVJSDHYGVANMKN-UHFFFAOYSA-N -1 1 355.431 0.967 10 0 FCAEMM CS(C)(=O)=NS(=O)(=O)[N-]CCc1csc(N2CCCC2)n1 ZINC000866790275 672305674 /nfs/dbraw/zinc/30/56/74/672305674.db2.gz RTSZTJXABJUTOO-UHFFFAOYSA-N -1 1 352.507 0.848 10 0 FCAEMM C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)CN1CCOCC1 ZINC000866823207 672313093 /nfs/dbraw/zinc/31/30/93/672313093.db2.gz KSKUJWNSYAKHHJ-SNVBAGLBSA-N -1 1 370.397 0.686 10 0 FCAEMM CN1C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCC1=O ZINC000866823875 672313771 /nfs/dbraw/zinc/31/37/71/672313771.db2.gz PUMXHHCZBHVZFL-ZQJOYCHOSA-N -1 1 363.436 0.738 10 0 FCAEMM CCON(C)C(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867463088 672320504 /nfs/dbraw/zinc/32/05/04/672320504.db2.gz FKODZDFHVSHOGR-UHFFFAOYSA-N -1 1 372.266 0.735 10 0 FCAEMM CS(=O)(=O)CC1(CC[N-]S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000867497760 672326517 /nfs/dbraw/zinc/32/65/17/672326517.db2.gz SHZCFDSFOLAAJI-UHFFFAOYSA-N -1 1 354.400 0.853 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867562757 672337874 /nfs/dbraw/zinc/33/78/74/672337874.db2.gz SLOYHGGRFOZLCY-NXEZZACHSA-N -1 1 364.370 0.996 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3sccc3Cl)COCCN12 ZINC000867750014 672363029 /nfs/dbraw/zinc/36/30/29/672363029.db2.gz RYLPGJWJRMVUCX-NSHDSACASA-N -1 1 352.821 0.901 10 0 FCAEMM O=C1OC[C@]2(C[N-]S(=O)(=O)c3ccc(Cl)nc3F)COCCN12 ZINC000867750132 672363230 /nfs/dbraw/zinc/36/32/30/672363230.db2.gz MCANTUWARBZLPY-LBPRGKRZSA-N -1 1 365.770 0.374 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc(Cl)ccc3F)COCCN12 ZINC000867750207 672363240 /nfs/dbraw/zinc/36/32/40/672363240.db2.gz UNESTDZMNNXHMJ-CYBMUJFWSA-N -1 1 364.782 0.979 10 0 FCAEMM O=C(COC(=O)[C@H]1OCCO[C@H]1C(F)(F)F)[N-]C(=O)c1ccccc1 ZINC000869647159 672444618 /nfs/dbraw/zinc/44/46/18/672444618.db2.gz WRIGJLWFDVDDIJ-NWDGAFQWSA-N -1 1 361.272 0.833 10 0 FCAEMM O=S(=O)(C[C@H]1CNCCO1)[N-]CC(F)(F)c1ccc(F)cc1F ZINC000871806918 672571642 /nfs/dbraw/zinc/57/16/42/672571642.db2.gz OULWLKOKBZBTPO-SNVBAGLBSA-N -1 1 356.341 0.964 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@H]1CNC(=O)C1 ZINC000926992734 673848041 /nfs/dbraw/zinc/84/80/41/673848041.db2.gz IKNYXTFKPJAIPR-GMTAPVOTSA-N -1 1 364.368 0.754 10 0 FCAEMM C[C@@H]1CCN(C(=O)NCC[C@@H]2CNC(=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000926997914 673848356 /nfs/dbraw/zinc/84/83/56/673848356.db2.gz XIJKOPVJDYLYHE-VWYCJHECSA-N -1 1 364.368 0.611 10 0 FCAEMM COc1cc(CCNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)ccn1 ZINC001687257394 1170080168 /nfs/dbraw/zinc/08/01/68/1170080168.db2.gz NYHBSEVJSCRNCF-UHFFFAOYSA-N -1 1 359.386 0.700 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001719751262 1179878907 /nfs/dbraw/zinc/87/89/07/1179878907.db2.gz NUCDCZGUKKPHIC-VXGBXAGGSA-N -1 1 371.397 0.811 10 0 FCAEMM C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001719751070 1179879080 /nfs/dbraw/zinc/87/90/80/1179879080.db2.gz HCGSJFHGWCLPDF-JHJVBQTASA-N -1 1 362.430 0.513 10 0 FCAEMM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)cc1 ZINC001267407916 1180481267 /nfs/dbraw/zinc/48/12/67/1180481267.db2.gz WLDLFYHBOUIAES-LSDHHAIUSA-N -1 1 358.446 0.928 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001719853636 1186458487 /nfs/dbraw/zinc/45/84/87/1186458487.db2.gz OSVLWPVOYGUZDI-UTLUCORTSA-N -1 1 368.365 0.508 10 0 FCAEMM CC1(C)[C@H]2[C@H](CCCN2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H]1O ZINC001687391234 1188352885 /nfs/dbraw/zinc/35/28/85/1188352885.db2.gz WDOHHPPSKHJGCZ-VQISRLSMSA-N -1 1 362.430 0.946 10 0 FCAEMM CC[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001719925690 1191216835 /nfs/dbraw/zinc/21/68/35/1191216835.db2.gz AFZKHMBKEGGKNU-KLBPJQLPSA-N -1 1 362.365 0.027 10 0 FCAEMM COC[C@H](OC)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001719957381 1191234700 /nfs/dbraw/zinc/23/47/00/1191234700.db2.gz HBCRUCIDGDPWCH-YEWDVWPNSA-N -1 1 363.414 0.560 10 0 FCAEMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000905946451 1195609755 /nfs/dbraw/zinc/60/97/55/1195609755.db2.gz CLKZKOPCCQZPEQ-DOMZBBRYSA-N -1 1 362.430 0.879 10 0 FCAEMM O=C([O-])[C@@H](CCF)NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000908753091 1195764305 /nfs/dbraw/zinc/76/43/05/1195764305.db2.gz LBSFUTVBYVUFCC-MRXNPFEDSA-N -1 1 366.437 0.916 10 0 FCAEMM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)O1 ZINC000911420543 1195952923 /nfs/dbraw/zinc/95/29/23/1195952923.db2.gz CMOLXKQPTMHDTM-WCXIOVBPSA-N -1 1 362.426 0.618 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000912179552 1196332570 /nfs/dbraw/zinc/33/25/70/1196332570.db2.gz LYACIDCSTZJXQC-IRXDYDNUSA-N -1 1 371.437 0.911 10 0 FCAEMM CC[C@H](CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)OC ZINC000592864137 1196584530 /nfs/dbraw/zinc/58/45/30/1196584530.db2.gz JYKAETSVUSUGTI-GFCCVEGCSA-N -1 1 358.398 0.998 10 0 FCAEMM COCCN1CCC[C@H]1CNC(=O)C(=O)[N-]OCc1ccccc1OC ZINC000804352068 1199119470 /nfs/dbraw/zinc/11/94/70/1199119470.db2.gz ODQZIJWFEZTDOP-HNNXBMFYSA-N -1 1 365.430 0.470 10 0 FCAEMM Cn1[n-]c(COC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)nc1=O ZINC000772360602 1200726916 /nfs/dbraw/zinc/72/69/16/1200726916.db2.gz XOPIKUVSRMAZFP-AGIUHOORSA-N -1 1 358.402 0.779 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)ccnc1-2 ZINC000806480697 1202744867 /nfs/dbraw/zinc/74/48/67/1202744867.db2.gz UBUDWHQPOXQISW-GFCCVEGCSA-N -1 1 370.388 0.947 10 0 FCAEMM COc1ccccc1[C@@H](O)CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806839108 1202781835 /nfs/dbraw/zinc/78/18/35/1202781835.db2.gz ABCLBYKUVUDWRP-AWEZNQCLSA-N -1 1 369.381 0.139 10 0 FCAEMM Cn1cc([C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C(C)(C)C)cn1 ZINC000806924174 1202788730 /nfs/dbraw/zinc/78/87/30/1202788730.db2.gz FKIYTFUBGZSZIY-AWEZNQCLSA-N -1 1 369.429 0.917 10 0 FCAEMM Cc1ccc(CN(CCO)C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)o1 ZINC000807069586 1202810551 /nfs/dbraw/zinc/81/05/51/1202810551.db2.gz KEQUPOXHICEMGF-UHFFFAOYSA-N -1 1 357.370 0.203 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cnc2n1CCOC2 ZINC001134698240 1203027211 /nfs/dbraw/zinc/02/72/11/1203027211.db2.gz QPMUJRLJCDCWGX-UHFFFAOYSA-N -1 1 356.386 0.637 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)c1cc2c(cn1)OCCO2 ZINC000820587777 1203189369 /nfs/dbraw/zinc/18/93/69/1203189369.db2.gz KPLVMDOVPRMKGZ-UHFFFAOYSA-N -1 1 357.326 0.292 10 0 FCAEMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@](C)(O)c1ccccc1 ZINC000846084378 1204582989 /nfs/dbraw/zinc/58/29/89/1204582989.db2.gz CRRAJBMHLGCOCC-BLVKFPJESA-N -1 1 367.409 0.693 10 0 FCAEMM CCON(C)C(=O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000846501972 1204634138 /nfs/dbraw/zinc/63/41/38/1204634138.db2.gz PRBHKNYRHJVGFN-UHFFFAOYSA-N -1 1 359.386 0.209 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)CCCc1nn[n-]n1)CO2 ZINC001146988090 1204751488 /nfs/dbraw/zinc/75/14/88/1204751488.db2.gz FRAPRIZSNIQFNA-NSHDSACASA-N -1 1 366.422 0.417 10 0 FCAEMM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001175553045 1206305754 /nfs/dbraw/zinc/30/57/54/1206305754.db2.gz SPRNWMMIHJTWHN-ZBQKXELDSA-N -1 1 369.364 0.648 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cn(C[C@H]3CCOC3)nn2)[n-]c1=O ZINC001178686535 1206362829 /nfs/dbraw/zinc/36/28/29/1206362829.db2.gz GKXXWMMPCKDSCW-SNVBAGLBSA-N -1 1 362.390 0.484 10 0 FCAEMM CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3nn[nH]n3)CC2)c1 ZINC001197451889 1208168209 /nfs/dbraw/zinc/16/82/09/1208168209.db2.gz ZEUWRHFWTTXGAK-LBPRGKRZSA-N -1 1 371.445 0.841 10 0 FCAEMM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001489372154 1208796424 /nfs/dbraw/zinc/79/64/24/1208796424.db2.gz BPODFRGIGIQWSF-DGCLKSJQSA-N -1 1 351.403 0.151 10 0 FCAEMM O=C(NCC(F)F)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001489888363 1209108984 /nfs/dbraw/zinc/10/89/84/1209108984.db2.gz AXVPKESTPKQFNO-VHSXEESVSA-N -1 1 370.356 0.183 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)NCCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)cn1 ZINC001490386250 1209330796 /nfs/dbraw/zinc/33/07/96/1209330796.db2.gz NLXBPFUTIUQLOL-UONOGXRCSA-N -1 1 359.434 0.518 10 0 FCAEMM CC/C=C(\C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001490655845 1209405654 /nfs/dbraw/zinc/40/56/54/1209405654.db2.gz FIWHJGWYPKVUIX-JZGAVIQESA-N -1 1 374.441 0.531 10 0 FCAEMM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000850705936 1209485124 /nfs/dbraw/zinc/48/51/24/1209485124.db2.gz KPVBCBSXZCKPKS-GFCCVEGCSA-N -1 1 372.429 0.044 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000851703278 1209517431 /nfs/dbraw/zinc/51/74/31/1209517431.db2.gz OUKSMBMLXNGGME-MWLCHTKSSA-N -1 1 374.319 0.635 10 0 FCAEMM CC(C)(C)OC(=O)N1CC[C@H](c2[nH]ncc2C(=O)[N-]N2CN=NC2=O)C1 ZINC000857172737 1209745112 /nfs/dbraw/zinc/74/51/12/1209745112.db2.gz ZORCYRFPWSPUIJ-VIFPVBQESA-N -1 1 363.378 0.815 10 0 FCAEMM Cc1cccc2c1C[C@H](NC(=O)C(=O)N=c1ccnc3n(C)[n-]cc1-3)CO2 ZINC000861965291 1209889869 /nfs/dbraw/zinc/88/98/69/1209889869.db2.gz IAILLJKZUAKVOA-LBPRGKRZSA-N -1 1 365.393 0.709 10 0 FCAEMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1ccc2nnn(C)c2c1 ZINC000132531024 1210684339 /nfs/dbraw/zinc/68/43/39/1210684339.db2.gz XVFAGNYRIDUILZ-UHFFFAOYSA-N -1 1 353.342 0.407 10 0 FCAEMM CC[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000927958094 1211594613 /nfs/dbraw/zinc/59/46/13/1211594613.db2.gz DWBVAWWDLSBNNX-HZPDHXFCSA-N -1 1 361.442 0.946 10 0 FCAEMM COCCNC(=O)CN1CCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000929094323 1211616534 /nfs/dbraw/zinc/61/65/34/1211616534.db2.gz NJTMIXBAZYIDPF-OAHLLOKOSA-N -1 1 363.458 0.591 10 0 FCAEMM C[C@H](CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000929283182 1211627439 /nfs/dbraw/zinc/62/74/39/1211627439.db2.gz OSMIELPYDYFILB-OAHLLOKOSA-N -1 1 373.453 0.978 10 0 FCAEMM C[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000930515320 1211710894 /nfs/dbraw/zinc/71/08/94/1211710894.db2.gz KYWCUEDOOGBEMA-BMIGLBTASA-N -1 1 371.384 0.164 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000758839142 1220267660 /nfs/dbraw/zinc/26/76/60/1220267660.db2.gz MYYXRALOHZSGSX-UHFFFAOYSA-N -1 1 370.361 0.925 10 0 FCAEMM Cc1ccc(C(=O)N2CCN(c3nnc(-c4noc(=O)[n-]4)n3C)CC2)cc1 ZINC001123030394 1222312575 /nfs/dbraw/zinc/31/25/75/1222312575.db2.gz FWPPUOBGISCMHQ-UHFFFAOYSA-N -1 1 369.385 0.429 10 0 FCAEMM O=C(NCc1nn[n-]n1)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000832228752 1222524986 /nfs/dbraw/zinc/52/49/86/1222524986.db2.gz SHKFJHGUANXKMO-DYVFJYSZSA-N -1 1 356.386 0.865 10 0 FCAEMM CC(C)(C)OC(=O)CC1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCC1 ZINC001138986433 1222533633 /nfs/dbraw/zinc/53/36/33/1222533633.db2.gz BOPUIBLBROANHR-UHFFFAOYSA-N -1 1 365.434 0.912 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001139431858 1222550239 /nfs/dbraw/zinc/55/02/39/1222550239.db2.gz QTGUEXVUERYLOU-WDEREUQCSA-N -1 1 350.371 0.699 10 0 FCAEMM CCOC(Cn1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cn1)OCC ZINC000837426367 1222647831 /nfs/dbraw/zinc/64/78/31/1222647831.db2.gz FWWZSLXJQVQQMW-UHFFFAOYSA-N -1 1 363.422 0.995 10 0 FCAEMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001517349752 1265593792 /nfs/dbraw/zinc/59/37/92/1265593792.db2.gz KLGXOPMQLLRFPV-UHFFFAOYSA-N -1 1 369.385 0.050 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CC4(C3)CNC(=O)O4)c(=O)c2c(OC)c1 ZINC001329122784 1265697616 /nfs/dbraw/zinc/69/76/16/1265697616.db2.gz ITAOJTLOGBYUIB-UHFFFAOYSA-N -1 1 359.338 0.480 10 0 FCAEMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001329563405 1265782746 /nfs/dbraw/zinc/78/27/46/1265782746.db2.gz VBHGFCVJYZODQS-UONOGXRCSA-N -1 1 367.446 0.021 10 0 FCAEMM CC[C@H](F)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1CC ZINC001519976276 1265815768 /nfs/dbraw/zinc/81/57/68/1265815768.db2.gz VCLKRCNUKKOVTH-JBLDHEPKSA-N -1 1 364.381 0.275 10 0 FCAEMM O=C(COCC(F)F)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001520203972 1265876070 /nfs/dbraw/zinc/87/60/70/1265876070.db2.gz BQNSDYDLHQAEQF-NEPJUHHUSA-N -1 1 369.368 0.989 10 0 FCAEMM CC(=O)N1CCc2cc(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)ccc21 ZINC001330105101 1265942814 /nfs/dbraw/zinc/94/28/14/1265942814.db2.gz WOAIXCVXJMMNBL-UHFFFAOYSA-N -1 1 352.354 0.887 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001520654055 1265958688 /nfs/dbraw/zinc/95/86/88/1265958688.db2.gz DHDZXSGVPAKKPY-MJBXVCDLSA-N -1 1 364.446 0.469 10 0 FCAEMM CC[C@H](C)CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001520654112 1265959883 /nfs/dbraw/zinc/95/98/83/1265959883.db2.gz FGAFFAAHKXZSKT-TUAOUCFPSA-N -1 1 360.418 0.573 10 0 FCAEMM CC(C)[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001520986510 1266057068 /nfs/dbraw/zinc/05/70/68/1266057068.db2.gz MTZUNXVHEOSDCL-GBIKHYSHSA-N -1 1 364.381 0.131 10 0 FCAEMM COC(=O)[C@@](C)([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC001335531031 1259701013 /nfs/dbraw/zinc/70/10/13/1259701013.db2.gz QQEMUXOBPDDWHC-PBHICJAKSA-N -1 1 366.439 0.758 10 0 FCAEMM CN1CCN(C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c2ccccc2)CC1 ZINC001332121444 1266340453 /nfs/dbraw/zinc/34/04/53/1266340453.db2.gz IBMXQZIONBAYAC-IXDOHACOSA-N -1 1 361.442 0.724 10 0 FCAEMM CC/C(C)=C/C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001281889471 1261260155 /nfs/dbraw/zinc/26/01/55/1261260155.db2.gz KGKGHFXNJPYXHG-BBVLPBNKSA-N -1 1 360.414 0.717 10 0 FCAEMM CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282159417 1261360878 /nfs/dbraw/zinc/36/08/78/1261360878.db2.gz MARLIDUKOUYBAR-BFHYXJOUSA-N -1 1 362.430 0.717 10 0 FCAEMM COC(=O)CCCO[N-]C(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC001472107877 1261437549 /nfs/dbraw/zinc/43/75/49/1261437549.db2.gz MDMSSKYLYWRIGK-UHFFFAOYSA-N -1 1 356.419 0.797 10 0 FCAEMM COC(=O)CCCO[N-]C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001472107394 1261437776 /nfs/dbraw/zinc/43/77/76/1261437776.db2.gz AFLNFHRFWFBHMZ-VXGBXAGGSA-N -1 1 362.423 0.851 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)o1 ZINC001472328182 1261459741 /nfs/dbraw/zinc/45/97/41/1261459741.db2.gz KPGKUDNRNFPZEC-SNVBAGLBSA-N -1 1 353.404 0.336 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C[C@@H]1COC(=O)C1 ZINC001282472987 1261471118 /nfs/dbraw/zinc/47/11/18/1261471118.db2.gz FBRZUNXFDCMWDS-FRRDWIJNSA-N -1 1 361.398 0.565 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001282626659 1261557169 /nfs/dbraw/zinc/55/71/69/1261557169.db2.gz HWYWBENFMYUDIS-CTGROYAUSA-N -1 1 374.441 0.531 10 0 FCAEMM O=C(CCN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001282631605 1261559857 /nfs/dbraw/zinc/55/98/57/1261559857.db2.gz CZLFEEOERHYGDL-RDBSUJKOSA-N -1 1 372.425 0.661 10 0 FCAEMM CCOCCOCC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001288936806 1262044446 /nfs/dbraw/zinc/04/44/46/1262044446.db2.gz FEVMDYUWDBGBFB-UONOGXRCSA-N -1 1 363.414 0.513 10 0 FCAEMM C[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001289281031 1262160926 /nfs/dbraw/zinc/16/09/26/1262160926.db2.gz QZTPPZHAMWENSP-CHWSQXEVSA-N -1 1 362.430 0.622 10 0 FCAEMM CC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001289874786 1262361379 /nfs/dbraw/zinc/36/13/79/1262361379.db2.gz UQDXZUZPEKILAA-QJPTWQEYSA-N -1 1 360.418 0.621 10 0 FCAEMM CC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001290870769 1262524857 /nfs/dbraw/zinc/52/48/57/1262524857.db2.gz GLBWWKJGZVHQQW-MGPQQGTHSA-N -1 1 364.446 0.184 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)CCCC(N)=O ZINC001291635212 1262570647 /nfs/dbraw/zinc/57/06/47/1262570647.db2.gz TYGZLOFXOCQJFY-CHWSQXEVSA-N -1 1 362.430 0.657 10 0 FCAEMM C/C=C(\C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C2 ZINC001291938384 1262615767 /nfs/dbraw/zinc/61/57/67/1262615767.db2.gz ZLGDYOBXAYIRGW-ZRUQSZGISA-N -1 1 360.414 0.141 10 0 FCAEMM CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001292216272 1262667693 /nfs/dbraw/zinc/66/76/93/1262667693.db2.gz PAUBHJCKZADNMC-MCIONIFRSA-N -1 1 374.441 0.365 10 0 FCAEMM COC(=O)c1ccc(N2CCN(C(=O)CCc3nn[n-]n3)[C@@H](C)C2)cc1 ZINC001292687380 1262700031 /nfs/dbraw/zinc/70/00/31/1262700031.db2.gz UZLRFIQHPMSWCC-LBPRGKRZSA-N -1 1 358.402 0.656 10 0 FCAEMM COCC(=O)Nc1ccc(OC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001293211868 1262713219 /nfs/dbraw/zinc/71/32/19/1262713219.db2.gz YMTNVLVMUVLLFI-UHFFFAOYSA-N -1 1 359.338 0.708 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001294387212 1262733280 /nfs/dbraw/zinc/73/32/80/1262733280.db2.gz XHMFMHZPDQCVAM-CQSZACIVSA-N -1 1 368.455 0.704 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC001295412127 1262764530 /nfs/dbraw/zinc/76/45/30/1262764530.db2.gz UCYKZJFEJIDUTG-NSHDSACASA-N -1 1 366.422 0.278 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001295683039 1262776894 /nfs/dbraw/zinc/77/68/94/1262776894.db2.gz IALFOAAUEZRUID-GOSISDBHSA-N -1 1 359.357 0.776 10 0 FCAEMM CN(CCNC(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001296089650 1262790789 /nfs/dbraw/zinc/79/07/89/1262790789.db2.gz AAYBJKMYWQTNND-NWDGAFQWSA-N -1 1 358.402 0.042 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001296446493 1262812339 /nfs/dbraw/zinc/81/23/39/1262812339.db2.gz KIFNBORQMQSREA-MGPQQGTHSA-N -1 1 362.430 0.080 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 ZINC001300898866 1262997666 /nfs/dbraw/zinc/99/76/66/1262997666.db2.gz WRKQFYCZQQZJHL-UHFFFAOYSA-N -1 1 357.370 0.681 10 0 FCAEMM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCc1nn[n-]n1)O2 ZINC001301005959 1262998909 /nfs/dbraw/zinc/99/89/09/1262998909.db2.gz NDNUVWHMCLBOHE-NSHDSACASA-N -1 1 366.422 0.417 10 0 FCAEMM COC(=O)c1ccn(CCCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)n1 ZINC001301651132 1263014182 /nfs/dbraw/zinc/01/41/82/1263014182.db2.gz XZFLULWMQKBUOO-HNNXBMFYSA-N -1 1 369.385 0.869 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](O)c1cccnc1 ZINC001302365126 1263044741 /nfs/dbraw/zinc/04/47/41/1263044741.db2.gz XPEWPFHLHRFFBG-GJZGRUSLSA-N -1 1 358.350 0.751 10 0 FCAEMM CN1C(=O)COc2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c21 ZINC001303003818 1263071790 /nfs/dbraw/zinc/07/17/90/1263071790.db2.gz CRNUUIZPNDLEOZ-UHFFFAOYSA-N -1 1 356.338 0.511 10 0 FCAEMM O=C(NCC[C@@H](O)C1CCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156492 1263172936 /nfs/dbraw/zinc/17/29/36/1263172936.db2.gz KEPLKAAFVSRPML-CQSZACIVSA-N -1 1 350.419 0.995 10 0 FCAEMM COC(=O)N1CCCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001479156080 1263172961 /nfs/dbraw/zinc/17/29/61/1263172961.db2.gz GRXVALVVBXDAFO-UHFFFAOYSA-N -1 1 365.390 0.239 10 0 FCAEMM CN(CC(=O)NC(C)(C)C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479155900 1263173032 /nfs/dbraw/zinc/17/30/32/1263173032.db2.gz DXERQRTXWNPKJE-UHFFFAOYSA-N -1 1 351.407 0.311 10 0 FCAEMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NC2CC(CC(N)=O)C2)C1 ZINC001479285657 1263182066 /nfs/dbraw/zinc/18/20/66/1263182066.db2.gz AVFMNXLRLKHFIZ-RPTIHFLNSA-N -1 1 350.341 0.493 10 0 FCAEMM CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001492935888 1263683402 /nfs/dbraw/zinc/68/34/02/1263683402.db2.gz UTMNAKVWDKFIFZ-VXGBXAGGSA-N -1 1 360.418 0.919 10 0 FCAEMM Cc1n[nH]c(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C2CC2)c1[O-] ZINC001493524951 1263725325 /nfs/dbraw/zinc/72/53/25/1263725325.db2.gz DUAXFMGBFMHRCO-UTUOFQBUSA-N -1 1 358.402 0.575 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001500501889 1264072373 /nfs/dbraw/zinc/07/23/73/1264072373.db2.gz IXWLEMCZMBDGIF-QIIPPGSGSA-N -1 1 365.478 0.642 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCc3cnc(C4CC4)nc3)ccnc1-2 ZINC001322999007 1264310525 /nfs/dbraw/zinc/31/05/25/1264310525.db2.gz XCHSYARECFPMCH-UHFFFAOYSA-N -1 1 365.397 0.307 10 0 FCAEMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001507985260 1264391293 /nfs/dbraw/zinc/39/12/93/1264391293.db2.gz YJUIFYUMMRSDFU-BZPMIXESSA-N -1 1 351.451 0.946 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001510602563 1264504952 /nfs/dbraw/zinc/50/49/52/1264504952.db2.gz KCXGAEMPYYNGQL-RSNWOKGLSA-N -1 1 360.414 0.673 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001510761720 1264511256 /nfs/dbraw/zinc/51/12/56/1264511256.db2.gz DIEPPARBIJZWCB-GMTAPVOTSA-N -1 1 366.418 0.909 10 0 FCAEMM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cn1 ZINC001332860904 1266494667 /nfs/dbraw/zinc/49/46/67/1266494667.db2.gz PBOICTLSAZNQEA-YNEHKIRRSA-N -1 1 361.450 0.668 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC001333317794 1266577754 /nfs/dbraw/zinc/57/77/54/1266577754.db2.gz ZYSSJXQUAZUVRT-JYJNAYRXSA-N -1 1 368.478 0.288 10 0 FCAEMM Cn1nnc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)n1 ZINC001523627347 1266646475 /nfs/dbraw/zinc/64/64/75/1266646475.db2.gz UKNBKMKLOIEIBC-UHFFFAOYSA-N -1 1 356.342 0.681 10 0 FCAEMM CN(c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCCCO1)[C@@H]1CCSC1 ZINC001526379098 1266805623 /nfs/dbraw/zinc/80/56/23/1266805623.db2.gz TYDAFYBYVRVVSY-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM CN(c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCCCO1)[C@@H]1CCSC1 ZINC001526379098 1266805640 /nfs/dbraw/zinc/80/56/40/1266805640.db2.gz TYDAFYBYVRVVSY-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM CN1CCN(c2cc(C(=O)NC[C@@]3(C(=O)[O-])CCCOC3)ccn2)CC1 ZINC001334205835 1266881184 /nfs/dbraw/zinc/88/11/84/1266881184.db2.gz QZLMBMUGWXYXRY-SFHVURJKSA-N -1 1 362.430 0.445 10 0 FCAEMM O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001529827091 1267079949 /nfs/dbraw/zinc/07/99/49/1267079949.db2.gz AIQPXQCMFIABAA-KRWDZBQOSA-N -1 1 362.407 0.558 10 0 FCAEMM CC[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001531395294 1267134709 /nfs/dbraw/zinc/13/47/09/1267134709.db2.gz NXVSFIVXSKOMSA-SNUQEOBHSA-N -1 1 362.430 0.128 10 0 FCAEMM CON1CCC(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001335004524 1267273901 /nfs/dbraw/zinc/27/39/01/1267273901.db2.gz ZWKUPCPSMOZZNY-KRWDZBQOSA-N -1 1 355.435 0.038 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC[C@H]1CCCS1(=O)=O ZINC001536614178 1267332887 /nfs/dbraw/zinc/33/28/87/1267332887.db2.gz RIZNNNXCURPQFO-GFCCVEGCSA-N -1 1 366.443 0.678 10 0 FCAEMM O=C(c1cnncc1[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001538571767 1267408465 /nfs/dbraw/zinc/40/84/65/1267408465.db2.gz XIXQJCBNOPRNBR-UHFFFAOYSA-N -1 1 366.374 0.468 10 0 FCAEMM O=C(c1ccc([O-])cn1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001540560090 1267453064 /nfs/dbraw/zinc/45/30/64/1267453064.db2.gz AMPOHJSVWXYVDX-UHFFFAOYSA-N -1 1 371.422 0.815 10 0 FCAEMM CON(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001542846704 1267508555 /nfs/dbraw/zinc/50/85/55/1267508555.db2.gz LDWWWTRCXKSQOY-UHFFFAOYSA-N -1 1 358.354 0.789 10 0 FCAEMM COC(=O)c1ccc2c(c1)CN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001543066994 1267521394 /nfs/dbraw/zinc/52/13/94/1267521394.db2.gz MYZZWJYFJAXXKU-UHFFFAOYSA-N -1 1 355.350 0.846 10 0 FCAEMM CCc1cc(=O)n2[n-]c(NC(=O)CN3Cc4ccccc4OC3=O)nc2n1 ZINC001543195834 1267531174 /nfs/dbraw/zinc/53/11/74/1267531174.db2.gz DURSUIVLAVQGTB-UHFFFAOYSA-N -1 1 368.353 0.933 10 0 FCAEMM CN1CCN(C)[C@H](CNC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])C1 ZINC001339509674 1268257112 /nfs/dbraw/zinc/25/71/12/1268257112.db2.gz NBXJAIAFUHGOAZ-ZBFHGGJFSA-N -1 1 374.441 0.974 10 0 FCAEMM O=C(COCC(F)F)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001340986139 1268735609 /nfs/dbraw/zinc/73/56/09/1268735609.db2.gz YNPKXBSMEICKJP-WDEREUQCSA-N -1 1 355.341 0.742 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001556086747 1268811400 /nfs/dbraw/zinc/81/14/00/1268811400.db2.gz ZOFCYCXGGMSFSK-DZGCQCFKSA-N -1 1 359.382 0.118 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)n[n-]1 ZINC001557455499 1268948540 /nfs/dbraw/zinc/94/85/40/1268948540.db2.gz ROBMGMHWURIIFK-UTINFBMNSA-N -1 1 354.363 0.125 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)[n-]1 ZINC001557455499 1268948548 /nfs/dbraw/zinc/94/85/48/1268948548.db2.gz ROBMGMHWURIIFK-UTINFBMNSA-N -1 1 354.363 0.125 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)n1 ZINC001557455499 1268948551 /nfs/dbraw/zinc/94/85/51/1268948551.db2.gz ROBMGMHWURIIFK-UTINFBMNSA-N -1 1 354.363 0.125 10 0 FCAEMM CCn1c(=O)c2ccc(C(=O)NCc3n[nH]c(CO)n3)cc2[n-]c1=S ZINC001557594693 1268958498 /nfs/dbraw/zinc/95/84/98/1268958498.db2.gz OZQMZOXDHIOHCP-UHFFFAOYSA-N -1 1 360.399 0.246 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2c[nH][nH]c2=O)o1 ZINC001557701004 1268968125 /nfs/dbraw/zinc/96/81/25/1268968125.db2.gz FMGXVIKWVRNMOE-JTQLQIEISA-N -1 1 370.431 0.598 10 0 FCAEMM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001557922963 1268991973 /nfs/dbraw/zinc/99/19/73/1268991973.db2.gz JTYFXNQNOGFXSK-MWLCHTKSSA-N -1 1 355.416 0.992 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1n[nH]c(=O)c2ccccc21 ZINC001558049735 1269014474 /nfs/dbraw/zinc/01/44/74/1269014474.db2.gz QCFCKIJRPKMARS-UHFFFAOYSA-N -1 1 353.338 0.834 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC001558090057 1269023992 /nfs/dbraw/zinc/02/39/92/1269023992.db2.gz YTRGILWUDUABSH-JOCQHMNTSA-N -1 1 371.397 0.813 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001558163613 1269038654 /nfs/dbraw/zinc/03/86/54/1269038654.db2.gz VKXJAIVGSUMVIR-KRWDZBQOSA-N -1 1 371.401 0.553 10 0 FCAEMM COc1ccc(C(=O)NCCCC(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001558173635 1269044473 /nfs/dbraw/zinc/04/44/73/1269044473.db2.gz QZKDUEWCIHYRNI-UHFFFAOYSA-N -1 1 358.402 0.914 10 0 FCAEMM CCOC(=O)[C@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC001558421834 1269088030 /nfs/dbraw/zinc/08/80/30/1269088030.db2.gz WDPJULANLJSVME-GOSISDBHSA-N -1 1 359.382 0.521 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)c2cnc3c(c2)NC(=O)CO3)[n-]c1=O ZINC001558500061 1269101502 /nfs/dbraw/zinc/10/15/02/1269101502.db2.gz HBXUHYUZZKBARJ-UHFFFAOYSA-N -1 1 359.342 0.582 10 0 FCAEMM CN(CC(=O)NCCC1=CCCCC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001558510714 1269102262 /nfs/dbraw/zinc/10/22/62/1269102262.db2.gz YTXFHZJDLCMLIB-UHFFFAOYSA-N -1 1 374.441 0.982 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)o1 ZINC001558624535 1269123948 /nfs/dbraw/zinc/12/39/48/1269123948.db2.gz DMPNTESIGRYSHW-SECBINFHSA-N -1 1 364.445 0.273 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)CCS(=O)(=O)N(C)C)[n-]c1=O ZINC001558703360 1269132508 /nfs/dbraw/zinc/13/25/08/1269132508.db2.gz OASYBIPIWYTLKG-SNVBAGLBSA-N -1 1 358.420 0.136 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)CN2CCCCS2(=O)=O)[n-]c1=O ZINC001558703073 1269133034 /nfs/dbraw/zinc/13/30/34/1269133034.db2.gz GMMWUCGETJQKNA-NSHDSACASA-N -1 1 370.431 0.280 10 0 FCAEMM C[C@H]([C@H](C)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2)S(C)(=O)=O ZINC001565248614 1269459210 /nfs/dbraw/zinc/45/92/10/1269459210.db2.gz ZNWXYWDEMGHCJU-VHSXEESVSA-N -1 1 372.447 0.218 10 0 FCAEMM COC/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001567230011 1269680818 /nfs/dbraw/zinc/68/08/18/1269680818.db2.gz QRGBDYPPDVMEEG-NSCUHMNNSA-N -1 1 356.400 0.554 10 0 FCAEMM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001343169255 1269802972 /nfs/dbraw/zinc/80/29/72/1269802972.db2.gz UOIGGECMNYKERT-KGLIPLIRSA-N -1 1 362.430 0.941 10 0 FCAEMM CCN1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C[C@@H]2CCOC2)CC1 ZINC001344176393 1270109152 /nfs/dbraw/zinc/10/91/52/1270109152.db2.gz ZIJKFQUCRWFVGC-ZDUSSCGKSA-N -1 1 361.450 0.563 10 0 FCAEMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)Cn2nccn2)C1 ZINC001344499453 1270189090 /nfs/dbraw/zinc/18/90/90/1270189090.db2.gz IMZWEXQXDUUFDH-OLZOCXBDSA-N -1 1 358.402 0.436 10 0 FCAEMM CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001572968469 1270425574 /nfs/dbraw/zinc/42/55/74/1270425574.db2.gz CQGLFJBAGBAATH-BPLDGKMQSA-N -1 1 365.430 0.804 10 0 FCAEMM CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001573219538 1270691081 /nfs/dbraw/zinc/69/10/81/1270691081.db2.gz ABVYNDKMBSYCPT-KGLIPLIRSA-N -1 1 364.446 0.470 10 0 FCAEMM CCCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1CC ZINC001573258570 1270712045 /nfs/dbraw/zinc/71/20/45/1270712045.db2.gz RWDVOOQFQDPXKT-UONOGXRCSA-N -1 1 364.446 0.613 10 0 FCAEMM COC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC001573701737 1270852679 /nfs/dbraw/zinc/85/26/79/1270852679.db2.gz IAIXKJTWEGGDTO-APPDUMDISA-N -1 1 362.386 0.064 10 0 FCAEMM COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001573970653 1270964788 /nfs/dbraw/zinc/96/47/88/1270964788.db2.gz WWZJSIUTPBUIIQ-NFAWXSAZSA-N -1 1 365.430 0.663 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCCC[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001718421089 1287501004 /nfs/dbraw/zinc/50/10/04/1287501004.db2.gz JFKNVWWOFORESS-GMTAPVOTSA-N -1 1 366.418 0.957 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(Br)c(CO)c1 ZINC001583118947 1282074787 /nfs/dbraw/zinc/07/47/87/1282074787.db2.gz ZLSFTBDPZBSCJP-UHFFFAOYSA-N -1 1 368.187 0.820 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)n[n-]1 ZINC001632562779 1282187104 /nfs/dbraw/zinc/18/71/04/1282187104.db2.gz POMSSGVRRJKXFX-NXEZZACHSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)[n-]1 ZINC001632562779 1282187110 /nfs/dbraw/zinc/18/71/10/1282187110.db2.gz POMSSGVRRJKXFX-NXEZZACHSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)CC)n1 ZINC001632562779 1282187113 /nfs/dbraw/zinc/18/71/13/1282187113.db2.gz POMSSGVRRJKXFX-NXEZZACHSA-N -1 1 371.463 0.807 10 0 FCAEMM Nc1cc(F)c(Br)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183640 1282209004 /nfs/dbraw/zinc/20/90/04/1282209004.db2.gz RFOBTWBLPYUNSU-SNVBAGLBSA-N -1 1 371.170 0.897 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1 ZINC001585197684 1282212707 /nfs/dbraw/zinc/21/27/07/1282212707.db2.gz ZTMXAGCHWSTUIG-NSHDSACASA-N -1 1 350.404 0.757 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c1 ZINC001585242167 1282216407 /nfs/dbraw/zinc/21/64/07/1282216407.db2.gz KKNYIOXHEFMWDO-UHFFFAOYSA-N -1 1 374.441 0.638 10 0 FCAEMM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001633670160 1282264986 /nfs/dbraw/zinc/26/49/86/1282264986.db2.gz PLQNFDFWYDGEFU-ZYHUDNBSSA-N -1 1 354.432 0.507 10 0 FCAEMM Cn1cc(N2C[C@@H](C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)CCC2=O)cn1 ZINC001633714893 1282269173 /nfs/dbraw/zinc/26/91/73/1282269173.db2.gz DJAIQPUFNRSGIJ-RYUDHWBXSA-N -1 1 374.401 0.658 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCCC(=O)OCc1ccccc1 ZINC001633830050 1282277919 /nfs/dbraw/zinc/27/79/19/1282277919.db2.gz RLIADQIPMLYJND-UHFFFAOYSA-N -1 1 373.409 0.957 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001633867271 1282279939 /nfs/dbraw/zinc/27/99/39/1282279939.db2.gz PIVFKYDNQJNJKO-LBPRGKRZSA-N -1 1 373.369 0.378 10 0 FCAEMM COCCCOc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001633895654 1282282919 /nfs/dbraw/zinc/28/29/19/1282282919.db2.gz MOIOMNQAAJKJON-UHFFFAOYSA-N -1 1 361.402 0.739 10 0 FCAEMM O=C(CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)N1CCCCC1 ZINC001633947429 1282287296 /nfs/dbraw/zinc/28/72/96/1282287296.db2.gz WASLVFADARTACR-UHFFFAOYSA-N -1 1 363.418 0.457 10 0 FCAEMM COC[C@@H](NC(=O)c1nccn2c(Br)cnc12)c1nn[n-]n1 ZINC001634621576 1282340462 /nfs/dbraw/zinc/34/04/62/1282340462.db2.gz IKYLMARDNANGLL-ZCFIWIBFSA-N -1 1 367.167 0.122 10 0 FCAEMM COC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001635090535 1282377938 /nfs/dbraw/zinc/37/79/38/1282377938.db2.gz LBWXKUPJJVZJGS-ZDUSSCGKSA-N -1 1 370.369 0.610 10 0 FCAEMM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001635089834 1282378654 /nfs/dbraw/zinc/37/86/54/1282378654.db2.gz CBBXSIDVRXNNPJ-LBPRGKRZSA-N -1 1 361.312 0.877 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001635086588 1282379251 /nfs/dbraw/zinc/37/92/51/1282379251.db2.gz RGJHCOCMTRNFIH-AYVTZFPOSA-N -1 1 365.415 0.230 10 0 FCAEMM C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588028047 1282398094 /nfs/dbraw/zinc/39/80/94/1282398094.db2.gz PQQKDJFBTIAALO-RYUDHWBXSA-N -1 1 351.403 0.845 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-n2ccnn2)cc1 ZINC001588032973 1282399691 /nfs/dbraw/zinc/39/96/91/1282399691.db2.gz MXLKLGZJNSSRTQ-UHFFFAOYSA-N -1 1 352.354 0.766 10 0 FCAEMM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001635452516 1282406138 /nfs/dbraw/zinc/40/61/38/1282406138.db2.gz AOLCEULLWFIIBO-ZDUSSCGKSA-N -1 1 370.413 0.828 10 0 FCAEMM Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[n-]c(=O)c2=O)no1 ZINC001588168927 1282406273 /nfs/dbraw/zinc/40/62/73/1282406273.db2.gz KRZONFLZHLQFKA-YHWZYXNKSA-N -1 1 359.386 0.555 10 0 FCAEMM CC[C@@]1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCNC1=O ZINC001588163273 1282406805 /nfs/dbraw/zinc/40/68/05/1282406805.db2.gz RGECRBWIKURMDN-OAHLLOKOSA-N -1 1 355.416 0.922 10 0 FCAEMM C[C@H](Sc1nc(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cs1)C(N)=O ZINC001588221652 1282408990 /nfs/dbraw/zinc/40/89/90/1282408990.db2.gz OWXJLUZMVAKKER-JGVFFNPUSA-N -1 1 367.460 0.181 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001636322849 1282486713 /nfs/dbraw/zinc/48/67/13/1282486713.db2.gz ZQMHHLVTCKVVFY-NSHDSACASA-N -1 1 372.381 0.513 10 0 FCAEMM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC001636418409 1282498747 /nfs/dbraw/zinc/49/87/47/1282498747.db2.gz ZQTTYBBBLWVWGZ-UHFFFAOYSA-N -1 1 366.399 0.781 10 0 FCAEMM COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001636429367 1282501065 /nfs/dbraw/zinc/50/10/65/1282501065.db2.gz FWAIEBGWIWCIPE-GFCCVEGCSA-N -1 1 357.395 0.927 10 0 FCAEMM O=C(c1cnncc1[O-])N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 ZINC001637574581 1282606394 /nfs/dbraw/zinc/60/63/94/1282606394.db2.gz JYDJXLFHMKIFDV-UFBFGSQYSA-N -1 1 365.333 0.764 10 0 FCAEMM O=C(c1cnncc1[O-])N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001637574577 1282607086 /nfs/dbraw/zinc/60/70/86/1282607086.db2.gz JYDJXLFHMKIFDV-QPUJVOFHSA-N -1 1 365.333 0.764 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@H](C2OCCO2)C1 ZINC001637891442 1282634232 /nfs/dbraw/zinc/63/42/32/1282634232.db2.gz WFIKWQRLQLAGMO-NSHDSACASA-N -1 1 364.402 0.549 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910364 1282639609 /nfs/dbraw/zinc/63/96/09/1282639609.db2.gz PYFMLBPTLOMOHA-LBPRGKRZSA-N -1 1 362.390 0.839 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910364 1282639620 /nfs/dbraw/zinc/63/96/20/1282639620.db2.gz PYFMLBPTLOMOHA-LBPRGKRZSA-N -1 1 362.390 0.839 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1cn(C)nc1COC ZINC001637910364 1282639633 /nfs/dbraw/zinc/63/96/33/1282639633.db2.gz PYFMLBPTLOMOHA-LBPRGKRZSA-N -1 1 362.390 0.839 10 0 FCAEMM CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)CCc1nn[n-]n1 ZINC001637995852 1282650375 /nfs/dbraw/zinc/65/03/75/1282650375.db2.gz ZPWYRMOXGZKKBK-MRVPVSSYSA-N -1 1 358.328 0.822 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCOCC(F)(F)C(F)F)n[n-]1 ZINC001638578258 1282706395 /nfs/dbraw/zinc/70/63/95/1282706395.db2.gz SPJVYGJNVPNWBX-UHFFFAOYSA-N -1 1 356.276 0.905 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCOCC(F)(F)C(F)F)n1 ZINC001638578258 1282706400 /nfs/dbraw/zinc/70/64/00/1282706400.db2.gz SPJVYGJNVPNWBX-UHFFFAOYSA-N -1 1 356.276 0.905 10 0 FCAEMM CCOC(=O)c1ccn(-c2cccc(CNC(=O)CCc3nn[n-]n3)c2)n1 ZINC001639995443 1282831452 /nfs/dbraw/zinc/83/14/52/1282831452.db2.gz JHKUUQIDMYLDJS-UHFFFAOYSA-N -1 1 369.385 0.811 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)[C@H]2CCC3N=NC(=O)N3C2)[n-]c1=O ZINC001640131990 1282841784 /nfs/dbraw/zinc/84/17/84/1282841784.db2.gz DKTRFZQTHZCAHW-VHSXEESVSA-N -1 1 360.374 0.414 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)c2cnc3c(c2)NC(=O)CO3)[n-]c1=O ZINC001640133393 1282842768 /nfs/dbraw/zinc/84/27/68/1282842768.db2.gz XNPJXHRZPAHOKZ-LLVKDONJSA-N -1 1 371.353 0.894 10 0 FCAEMM COC(=O)[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C(=O)OC ZINC001640537363 1282872729 /nfs/dbraw/zinc/87/27/29/1282872729.db2.gz IWPAFGVJVMTPBU-CHWSQXEVSA-N -1 1 358.350 0.975 10 0 FCAEMM CON(C)C(=O)CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001682120767 1283529769 /nfs/dbraw/zinc/52/97/69/1283529769.db2.gz AHCYWKPKUYGRKN-IUCAKERBSA-N -1 1 354.329 0.247 10 0 FCAEMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)COCC(F)F ZINC001683273109 1283922334 /nfs/dbraw/zinc/92/23/34/1283922334.db2.gz MAXJGIADKPBSKS-MWLCHTKSSA-N -1 1 359.329 0.025 10 0 FCAEMM O=C(CCC(F)F)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001719098576 1287722032 /nfs/dbraw/zinc/72/20/32/1287722032.db2.gz JOGIUCYGMZTVBO-GHMZBOCLSA-N -1 1 370.356 0.406 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)CNC(=O)OC)CCN1C(=O)c1ncccc1[O-] ZINC001702615289 1285753045 /nfs/dbraw/zinc/75/30/45/1285753045.db2.gz ARBATEZUQOZANK-WDEREUQCSA-N -1 1 350.375 0.253 10 0 FCAEMM CC[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCNC1=O ZINC001702707772 1285804546 /nfs/dbraw/zinc/80/45/46/1285804546.db2.gz AGRJUZVYLPGOLL-FTLABTOESA-N -1 1 360.414 0.423 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)Cc1ccn(C)n1 ZINC001702793491 1285873182 /nfs/dbraw/zinc/87/31/82/1285873182.db2.gz LWHTXPXZQLUFEE-CHWSQXEVSA-N -1 1 357.414 0.588 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001702863680 1285954694 /nfs/dbraw/zinc/95/46/94/1285954694.db2.gz OJCAKPPDKGJHGU-VXGBXAGGSA-N -1 1 360.414 0.267 10 0 FCAEMM CNC(=O)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001702932886 1286008445 /nfs/dbraw/zinc/00/84/45/1286008445.db2.gz NOUDSDZNMZFMDX-RDBSUJKOSA-N -1 1 374.441 0.955 10 0 FCAEMM O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595941486 1286273354 /nfs/dbraw/zinc/27/33/54/1286273354.db2.gz NSLUHNUZSSEMCM-LBPRGKRZSA-N -1 1 355.402 0.824 10 0 FCAEMM COc1cnc(C(C)(C)NC(=O)Cn2ncc3ccccc3c2=O)[n-]c1=O ZINC001597275282 1286335503 /nfs/dbraw/zinc/33/55/03/1286335503.db2.gz LBTLUCXFCITWRJ-UHFFFAOYSA-N -1 1 369.381 0.952 10 0 FCAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cn(C[C@H]3CCOC3)nn2)[n-]1 ZINC001597690504 1286355532 /nfs/dbraw/zinc/35/55/32/1286355532.db2.gz NAZMNWYJAQYDFK-SNVBAGLBSA-N -1 1 361.358 0.884 10 0 FCAEMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001597713423 1286358311 /nfs/dbraw/zinc/35/83/11/1286358311.db2.gz PJBFUOPXLNTFPE-MJBXVCDLSA-N -1 1 367.450 0.570 10 0 FCAEMM O=C(C[C@@H]1C[C@H]1C1CC1)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1 ZINC001734824342 1288684294 /nfs/dbraw/zinc/68/42/94/1288684294.db2.gz JYDOTHWQWJFDLU-KBPBESRZSA-N -1 1 359.426 0.917 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001735242500 1288709037 /nfs/dbraw/zinc/70/90/37/1288709037.db2.gz PFVITNNYRSEKQL-OPRDCNLKSA-N -1 1 352.391 0.519 10 0 FCAEMM C[C@]12CN(C(=O)COCC(F)F)C[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001736338438 1289265586 /nfs/dbraw/zinc/26/55/86/1289265586.db2.gz UJBWRSRMQZWIOT-APPDUMDISA-N -1 1 369.368 0.989 10 0 FCAEMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])S(C)(=O)=O ZINC001736495125 1289393813 /nfs/dbraw/zinc/39/38/13/1289393813.db2.gz UPPWHBUOBNNAJG-WYUUTHIRSA-N -1 1 367.427 0.082 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCS(=O)(=O)C[C@H]1C ZINC001611055826 1289627353 /nfs/dbraw/zinc/62/73/53/1289627353.db2.gz LNYDINQUNZHDJD-SNVBAGLBSA-N -1 1 366.443 0.630 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2ncc(Br)cn2)n[n-]1 ZINC001611154619 1289634241 /nfs/dbraw/zinc/63/42/41/1289634241.db2.gz PDBOMGLRRQCPGZ-UHFFFAOYSA-N -1 1 355.152 0.464 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2ncc(Br)cn2)n1 ZINC001611154619 1289634245 /nfs/dbraw/zinc/63/42/45/1289634245.db2.gz PDBOMGLRRQCPGZ-UHFFFAOYSA-N -1 1 355.152 0.464 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ncccc1[O-] ZINC001738857566 1289741055 /nfs/dbraw/zinc/74/10/55/1289741055.db2.gz HZHSZXCWVBYKQX-YNEHKIRRSA-N -1 1 357.414 0.901 10 0 FCAEMM CN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC001614992155 1289750113 /nfs/dbraw/zinc/75/01/13/1289750113.db2.gz MZLOFPPOAOGTEZ-CQSZACIVSA-N -1 1 373.425 0.796 10 0 FCAEMM Nc1cc(Br)cc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1N ZINC001616143011 1289768450 /nfs/dbraw/zinc/76/84/50/1289768450.db2.gz YREGZWXHFQACME-VIFPVBQESA-N -1 1 368.195 0.340 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616142768 1289768922 /nfs/dbraw/zinc/76/89/22/1289768922.db2.gz SSTVHSIOZJIQGU-OLZOCXBDSA-N -1 1 357.370 0.832 10 0 FCAEMM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001616142767 1289769604 /nfs/dbraw/zinc/76/96/04/1289769604.db2.gz SSTVHSIOZJIQGU-CHWSQXEVSA-N -1 1 357.370 0.832 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001739035239 1289773339 /nfs/dbraw/zinc/77/33/39/1289773339.db2.gz BORKGDDWNAIIFJ-BZPMIXESSA-N -1 1 351.403 0.151 10 0 FCAEMM Cn1c(=O)c2ccc(C(=O)NCCN3CCC(O)CC3)cc2[n-]c1=S ZINC001624293817 1290264085 /nfs/dbraw/zinc/26/40/85/1290264085.db2.gz MQSNJPHFOBKTCK-UHFFFAOYSA-N -1 1 362.455 0.409 10 0 FCAEMM CC[C@H](O)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001624542976 1290278508 /nfs/dbraw/zinc/27/85/08/1290278508.db2.gz DFVFQDSNGUQMHC-FZMZJTMJSA-N -1 1 372.443 0.759 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 ZINC001624713071 1290290512 /nfs/dbraw/zinc/29/05/12/1290290512.db2.gz ZKCOIWSRINZJQD-UHFFFAOYSA-N -1 1 370.365 0.086 10 0 FCAEMM CN(C)C(=O)C=CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786011 1290295079 /nfs/dbraw/zinc/29/50/79/1290295079.db2.gz NJTZHAZXVGHHNK-CFHLNLSMSA-N -1 1 352.757 0.842 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 ZINC001625354728 1290337675 /nfs/dbraw/zinc/33/76/75/1290337675.db2.gz NBQJQFHYLYOYQF-UHFFFAOYSA-N -1 1 373.431 0.899 10 0 FCAEMM COc1c(F)cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(N)c1F ZINC001625610665 1290354388 /nfs/dbraw/zinc/35/43/88/1290354388.db2.gz AYRVFSSPKSQWGN-QMMMGPOBSA-N -1 1 356.358 0.999 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/CN2CCOCC2)c1 ZINC001625729987 1290361632 /nfs/dbraw/zinc/36/16/32/1290361632.db2.gz IKZGYTFDYCEWPW-NSCUHMNNSA-N -1 1 355.416 0.127 10 0 FCAEMM O=C(CCc1nn[n-]n1)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC001627067461 1290435582 /nfs/dbraw/zinc/43/55/82/1290435582.db2.gz SSJLRWWJDYAWAV-RYUDHWBXSA-N -1 1 352.395 0.029 10 0 FCAEMM CCn1ncnc1-c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1 ZINC001627165368 1290443175 /nfs/dbraw/zinc/44/31/75/1290443175.db2.gz BNSJPXAHIPVAAF-CYBMUJFWSA-N -1 1 354.374 0.692 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001627964394 1290498840 /nfs/dbraw/zinc/49/88/40/1290498840.db2.gz MWWDPDQEESNNAL-UHFFFAOYSA-N -1 1 361.445 0.103 10 0 FCAEMM COCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001740287825 1290526465 /nfs/dbraw/zinc/52/64/65/1290526465.db2.gz REDPPUASPJBFER-XBFCOCLRSA-N -1 1 360.414 0.958 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)COc2c(=O)ccoc2C)n[n-]1 ZINC001629030025 1290570909 /nfs/dbraw/zinc/57/09/09/1290570909.db2.gz VREIEGZISINXGY-MRVPVSSYSA-N -1 1 350.331 0.499 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)COc2c(=O)ccoc2C)[n-]1 ZINC001629030025 1290570915 /nfs/dbraw/zinc/57/09/15/1290570915.db2.gz VREIEGZISINXGY-MRVPVSSYSA-N -1 1 350.331 0.499 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)COc2c(=O)ccoc2C)n1 ZINC001629030025 1290570924 /nfs/dbraw/zinc/57/09/24/1290570924.db2.gz VREIEGZISINXGY-MRVPVSSYSA-N -1 1 350.331 0.499 10 0 FCAEMM CCNC(=O)NCc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001629110700 1290576428 /nfs/dbraw/zinc/57/64/28/1290576428.db2.gz UNFUYQVPFNHEJG-UHFFFAOYSA-N -1 1 371.397 0.975 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC001629576944 1290611226 /nfs/dbraw/zinc/61/12/26/1290611226.db2.gz KAUZWLJXYWWLFH-LLVKDONJSA-N -1 1 359.448 0.654 10 0 FCAEMM CSCC[C@H](NC(=O)c1cnc2c(c1)NC(=O)CN2C)c1nn[n-]n1 ZINC001629931055 1290635114 /nfs/dbraw/zinc/63/51/14/1290635114.db2.gz DFRSKWHUCHCMPP-VIFPVBQESA-N -1 1 362.419 0.207 10 0 FCAEMM CCOC(=O)[C@H](NC(=O)CCc1nn[n-]n1)[C@@H](O)c1ccc(Cl)cc1 ZINC001630008997 1290642446 /nfs/dbraw/zinc/64/24/46/1290642446.db2.gz ZOXHPBDYZKVYGG-KGLIPLIRSA-N -1 1 367.793 0.567 10 0 FCAEMM CCOC(=O)[C@@H](NC(=O)CCc1nn[n-]n1)[C@@H](O)c1ccc(Cl)cc1 ZINC001630008996 1290643144 /nfs/dbraw/zinc/64/31/44/1290643144.db2.gz ZOXHPBDYZKVYGG-KBPBESRZSA-N -1 1 367.793 0.567 10 0 FCAEMM COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)CCc3nn[n-]n3)C2=O)c1 ZINC001630769030 1290697812 /nfs/dbraw/zinc/69/78/12/1290697812.db2.gz YAXYEBPUQWDRHZ-CQSZACIVSA-N -1 1 374.401 0.413 10 0 FCAEMM CC(C)(C)[C@@H](NC(=O)Cc1n[nH]c(C2CCOCC2)n1)c1nc(=O)o[n-]1 ZINC001630801036 1290702154 /nfs/dbraw/zinc/70/21/54/1290702154.db2.gz VFOFVKNSKGJTEH-LBPRGKRZSA-N -1 1 364.406 0.821 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CCNC(=O)CC1 ZINC001631428405 1290729796 /nfs/dbraw/zinc/72/97/96/1290729796.db2.gz NHTTZYHONUMXMQ-SNVBAGLBSA-N -1 1 367.427 0.688 10 0 FCAEMM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001643192991 1290858604 /nfs/dbraw/zinc/85/86/04/1290858604.db2.gz XDIPMRIHKDWTRG-CHWSQXEVSA-N -1 1 360.349 0.292 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1cc(Br)cn2ncnc12 ZINC001644748730 1290981342 /nfs/dbraw/zinc/98/13/42/1290981342.db2.gz WPTMGLYWLJDADI-UHFFFAOYSA-N -1 1 363.179 0.814 10 0 FCAEMM C[C@@]1(C2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)COC(=O)N1 ZINC001644860897 1290990102 /nfs/dbraw/zinc/99/01/02/1290990102.db2.gz RXLTVDVIEMFYCK-KRWDZBQOSA-N -1 1 362.386 0.254 10 0 FCAEMM CC(C)CNC(=O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001645880561 1291046624 /nfs/dbraw/zinc/04/66/24/1291046624.db2.gz NDJOFRKMZQQOEE-UHFFFAOYSA-N -1 1 362.430 0.528 10 0 FCAEMM CSc1ncc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(=O)[n-]1 ZINC001648069378 1291099790 /nfs/dbraw/zinc/09/97/90/1291099790.db2.gz GYTJZUCXGVPPIE-UHFFFAOYSA-N -1 1 373.456 0.324 10 0 FCAEMM CC(C)(C)OC(=O)NCCCSCCC(=O)NN1CC(=O)[N-]C1=O ZINC001648445093 1291121259 /nfs/dbraw/zinc/12/12/59/1291121259.db2.gz HJOOEBXFKPJEST-UHFFFAOYSA-N -1 1 360.436 0.608 10 0 FCAEMM CCOC(=O)N(C)CCCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001650749173 1291177882 /nfs/dbraw/zinc/17/78/82/1291177882.db2.gz RXVQYCZTRQIVOG-UHFFFAOYSA-N -1 1 352.391 0.740 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(-n2cncn2)c1 ZINC001650748359 1291178001 /nfs/dbraw/zinc/17/80/01/1291178001.db2.gz IRJNCJITWIXUNU-UHFFFAOYSA-N -1 1 353.342 0.161 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001650748846 1291178116 /nfs/dbraw/zinc/17/81/16/1291178116.db2.gz OWQDBCSLDCXFLX-IBGZPJMESA-N -1 1 368.393 0.329 10 0 FCAEMM COCCCOc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001650747943 1291178212 /nfs/dbraw/zinc/17/82/12/1291178212.db2.gz BGIQTVYJMKYQOM-UHFFFAOYSA-N -1 1 374.397 0.995 10 0 FCAEMM CCOc1cccnc1N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001651766503 1291237952 /nfs/dbraw/zinc/23/79/52/1291237952.db2.gz UXPUDDBRZKWNER-UHFFFAOYSA-N -1 1 373.413 0.069 10 0 FCAEMM COC[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1N)c1nn[n-]n1 ZINC001651846356 1291243411 /nfs/dbraw/zinc/24/34/11/1291243411.db2.gz ALXYVJDDUVZFCI-LBPRGKRZSA-N -1 1 356.390 0.453 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 ZINC001652076218 1291258764 /nfs/dbraw/zinc/25/87/64/1291258764.db2.gz UFSUVTQVGCOXJT-CQSZACIVSA-N -1 1 356.382 0.907 10 0 FCAEMM COc1cnc([C@@H]2CCCN2c2nccc(S(C)(=O)=O)n2)[n-]c1=O ZINC001652304304 1291273406 /nfs/dbraw/zinc/27/34/06/1291273406.db2.gz DGKSJYMJSSANNF-VIFPVBQESA-N -1 1 351.388 0.726 10 0 FCAEMM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001652600987 1291286972 /nfs/dbraw/zinc/28/69/72/1291286972.db2.gz LOOLVHUOTFXKKR-CQSZACIVSA-N -1 1 372.303 0.486 10 0 FCAEMM COCCS(=O)(=O)CC(=O)NC1(c2ncc(OC)c(=O)[n-]2)CCCC1 ZINC001652801767 1291299919 /nfs/dbraw/zinc/29/99/19/1291299919.db2.gz GLIHQTPSKIDOOS-UHFFFAOYSA-N -1 1 373.431 0.138 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[n-]c1=O ZINC001653331936 1291336628 /nfs/dbraw/zinc/33/66/28/1291336628.db2.gz AXHQOYKPEMIMAL-JQWIXIFHSA-N -1 1 372.385 0.631 10 0 FCAEMM Cn1[n-]c(CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)nc1=O ZINC001654928949 1291445888 /nfs/dbraw/zinc/44/58/88/1291445888.db2.gz HHONKXUPCPRRGH-UHFFFAOYSA-N -1 1 351.432 0.135 10 0 FCAEMM C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001657033435 1291588850 /nfs/dbraw/zinc/58/88/50/1291588850.db2.gz RVVHBWZFSXEXHC-NFAWXSAZSA-N -1 1 359.430 0.655 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CCO)C1CCCC1 ZINC001675457015 1292177280 /nfs/dbraw/zinc/17/72/80/1292177280.db2.gz YBROJFWXHWMYAA-ZDUSSCGKSA-N -1 1 350.419 0.995 10 0 FCAEMM COC(=O)c1ccc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)o1 ZINC001675456338 1292177635 /nfs/dbraw/zinc/17/76/35/1292177635.db2.gz DUYNJZSSFWWEEU-UHFFFAOYSA-N -1 1 362.342 0.634 10 0 FCAEMM O=C(NCCc1c(F)cc([O-])cc1F)NCc1nnc2c(=O)[nH]ccn12 ZINC001676148155 1292195296 /nfs/dbraw/zinc/19/52/96/1292195296.db2.gz QFIWONDSSMDDPK-UHFFFAOYSA-N -1 1 364.312 0.443 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NCC1(CCO)CCCC1 ZINC001684758031 1292328832 /nfs/dbraw/zinc/32/88/32/1292328832.db2.gz VLEADNNLXHEMDE-UHFFFAOYSA-N -1 1 350.419 0.997 10 0 FCAEMM NC(=O)[C@]12CCC[C@H]1CN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)C2 ZINC001684868414 1292347234 /nfs/dbraw/zinc/34/72/34/1292347234.db2.gz HZLRVIYIGDOLQF-BTDLBPIBSA-N -1 1 361.402 0.052 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2ccncn2)CCN1C(=O)c1ncccc1[O-] ZINC001685261834 1292472327 /nfs/dbraw/zinc/47/23/27/1292472327.db2.gz VQMNNAKINRHRLM-OCCSQVGLSA-N -1 1 355.398 0.929 10 0 FCAEMM CCc1nnc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC001686658778 1292944587 /nfs/dbraw/zinc/94/45/87/1292944587.db2.gz OBSDQUHELUJCES-UHFFFAOYSA-N -1 1 350.404 0.668 10 0 FCAEMM Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)cn2)c1 ZINC000798841901 836488738 /nfs/dbraw/zinc/48/87/38/836488738.db2.gz SGPGUFVJNDRWEK-HNNXBMFYSA-N -1 1 365.459 0.967 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1C(F)(F)F ZINC000866948590 836551576 /nfs/dbraw/zinc/55/15/76/836551576.db2.gz KLUPJXUHUISKBR-SECBINFHSA-N -1 1 357.354 0.913 10 0 FCAEMM CO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCC1 ZINC001118458588 847432680 /nfs/dbraw/zinc/43/26/80/847432680.db2.gz GNIONWGGRSIBBE-LLVKDONJSA-N -1 1 360.388 0.015 10 0 FCAEMM Cc1n[nH]c(C)c1CCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001119577815 847894951 /nfs/dbraw/zinc/89/49/51/847894951.db2.gz RFVSOJRVTDHYAJ-KRWDZBQOSA-N -1 1 350.419 0.347 10 0 FCAEMM CN1CCC[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1=O ZINC001119805065 847985410 /nfs/dbraw/zinc/98/54/10/847985410.db2.gz RAEZLJKQLKOJSP-CYBMUJFWSA-N -1 1 355.341 0.066 10 0 FCAEMM COC[C@@H]1CN(c2nnc(-c3nc(Cl)n[n-]3)n2CC2CC2)CCO1 ZINC001123594187 848610332 /nfs/dbraw/zinc/61/03/32/848610332.db2.gz JOYIETCTCZIBCC-JTQLQIEISA-N -1 1 353.814 0.978 10 0 FCAEMM COC(=O)CN(CC(=O)OC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136592067 849228621 /nfs/dbraw/zinc/22/86/21/849228621.db2.gz MKZZSOWLFUCELG-UHFFFAOYSA-N -1 1 350.302 0.868 10 0 FCAEMM CSc1nc(C)c(CCC(=O)NCCc2c(C)[nH][nH]c2=O)c(=O)[n-]1 ZINC001136654149 849233276 /nfs/dbraw/zinc/23/32/76/849233276.db2.gz UZLUVAUFNHAHQW-LLVKDONJSA-N -1 1 351.432 0.773 10 0 FCAEMM CO[C@]1(C(=O)Nc2nc(Br)ccc2[O-])CCS(=O)(=O)C1 ZINC001138325910 849307759 /nfs/dbraw/zinc/30/77/59/849307759.db2.gz MPGRJVQYQXNWNA-LLVKDONJSA-N -1 1 365.205 0.692 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC001142510731 849446863 /nfs/dbraw/zinc/44/68/63/849446863.db2.gz XDAKXVWJKPEVRF-LAUQKZGBSA-N -1 1 350.419 0.289 10 0 FCAEMM CC(C)(C)OC(=O)N1CC(NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001146324656 849556286 /nfs/dbraw/zinc/55/62/86/849556286.db2.gz ORABXTRBZFLTCB-UHFFFAOYSA-N -1 1 350.375 0.253 10 0 FCAEMM CS(=O)(=O)c1ccc([C@H]2CN(C(=O)CCc3nn[n-]n3)CCO2)cc1 ZINC001148751476 849617650 /nfs/dbraw/zinc/61/76/50/849617650.db2.gz RXAYJDDROYYCQZ-CYBMUJFWSA-N -1 1 365.415 0.136 10 0 FCAEMM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)CC[N-]C(=O)C(F)(F)F)C1=O ZINC001165371924 850438224 /nfs/dbraw/zinc/43/82/24/850438224.db2.gz WCDYMGALUKSGJR-ZDUSSCGKSA-N -1 1 361.276 0.684 10 0 FCAEMM COc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cnc1Br ZINC001170382280 850651874 /nfs/dbraw/zinc/65/18/74/850651874.db2.gz GJCAXOHXUAKWHA-QMMMGPOBSA-N -1 1 369.179 0.580 10 0 FCAEMM Cn1[n-]c(CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1=O ZINC001176952502 850816478 /nfs/dbraw/zinc/81/64/78/850816478.db2.gz PXAIISCXIUZIIE-KWQFWETISA-N -1 1 354.354 0.050 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568592 850853475 /nfs/dbraw/zinc/85/34/75/850853475.db2.gz YZQWXYXZQUWXSY-ZJUUUORDSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568592 850853486 /nfs/dbraw/zinc/85/34/86/850853486.db2.gz YZQWXYXZQUWXSY-ZJUUUORDSA-N -1 1 356.404 0.080 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001177568592 850853495 /nfs/dbraw/zinc/85/34/95/850853495.db2.gz YZQWXYXZQUWXSY-ZJUUUORDSA-N -1 1 356.404 0.080 10 0 FCAEMM Cc1ccc(C(=O)NCC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)s1 ZINC001178884772 850937537 /nfs/dbraw/zinc/93/75/37/850937537.db2.gz HWVPPHMGDIDNSQ-UHFFFAOYSA-N -1 1 364.427 0.997 10 0 FCAEMM COc1cnc(C2(NC(=O)CCCCNC(N)=O)CCCC2)[n-]c1=O ZINC001179188684 850961657 /nfs/dbraw/zinc/96/16/57/850961657.db2.gz WMDCNUWFQPKKNR-UHFFFAOYSA-N -1 1 351.407 0.915 10 0 FCAEMM COC(=O)c1c(NC(=O)c2ccnc(F)c2OC)n[n-]c1OCCO ZINC001183798704 851269618 /nfs/dbraw/zinc/26/96/18/851269618.db2.gz FDUHDRBREXHIMG-UHFFFAOYSA-N -1 1 354.294 0.362 10 0 FCAEMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1ccnc(F)c1OC ZINC001183798704 851269628 /nfs/dbraw/zinc/26/96/28/851269628.db2.gz FDUHDRBREXHIMG-UHFFFAOYSA-N -1 1 354.294 0.362 10 0 FCAEMM COC(=O)c1c(NC(=O)c2cc(C(F)F)ncn2)n[n-]c1OCCO ZINC001183802770 851271652 /nfs/dbraw/zinc/27/16/52/851271652.db2.gz UWZYYOZDPFMPBK-UHFFFAOYSA-N -1 1 357.273 0.547 10 0 FCAEMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cc(C(F)F)ncn1 ZINC001183802770 851271660 /nfs/dbraw/zinc/27/16/60/851271660.db2.gz UWZYYOZDPFMPBK-UHFFFAOYSA-N -1 1 357.273 0.547 10 0 FCAEMM O=C(c1[nH]ncc1I)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001255042704 857996669 /nfs/dbraw/zinc/99/66/69/857996669.db2.gz ZNGNPQWMQRCLBT-ZCFIWIBFSA-N -1 1 373.158 0.547 10 0 FCAEMM O=C(c1[nH]ncc1I)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001255042703 857996871 /nfs/dbraw/zinc/99/68/71/857996871.db2.gz ZNGNPQWMQRCLBT-LURJTMIESA-N -1 1 373.158 0.547 10 0 FCAEMM COC1CCN(c2nnc(-c3cc(S(N)(=O)=O)ccc3[O-])n2C)CC1 ZINC001263629615 859184638 /nfs/dbraw/zinc/18/46/38/859184638.db2.gz JNBVSRSOIFIQQZ-UHFFFAOYSA-N -1 1 367.431 0.450 10 0 FCAEMM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001263911358 859236935 /nfs/dbraw/zinc/23/69/35/859236935.db2.gz GWIPEMCQZKCEGL-NWDGAFQWSA-N -1 1 352.464 0.682 10 0 FCAEMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001289279773 865003055 /nfs/dbraw/zinc/00/30/55/865003055.db2.gz CIRFKJOJKJYVMS-IJLUTSLNSA-N -1 1 369.443 0.045 10 0 FCAEMM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001290637694 865471256 /nfs/dbraw/zinc/47/12/56/865471256.db2.gz WRRDURGARRVTOE-LLVKDONJSA-N -1 1 360.388 0.319 10 0 FCAEMM CCOC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001290970559 865574120 /nfs/dbraw/zinc/57/41/20/865574120.db2.gz YSRUPDBHUMNGIV-LLVKDONJSA-N -1 1 350.375 0.254 10 0 FCAEMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])S(C)(=O)=O ZINC001292149818 865693707 /nfs/dbraw/zinc/69/37/07/865693707.db2.gz UPPWHBUOBNNAJG-QCNOEVLYSA-N -1 1 367.427 0.082 10 0 FCAEMM Nc1ccc(Br)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001292976587 865766962 /nfs/dbraw/zinc/76/69/62/865766962.db2.gz UXJPZQVOHUKSCP-JTQLQIEISA-N -1 1 353.180 0.758 10 0 FCAEMM CC(C)C[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCNC1=O ZINC001295507999 865901732 /nfs/dbraw/zinc/90/17/32/865901732.db2.gz BUOPYPOKPPHCQE-HNNXBMFYSA-N -1 1 355.416 0.531 10 0 FCAEMM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC001296796162 865989770 /nfs/dbraw/zinc/98/97/70/865989770.db2.gz UCPZYSSENVIWKD-QMMMGPOBSA-N -1 1 370.822 0.671 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)co1 ZINC001297808748 866061514 /nfs/dbraw/zinc/06/15/14/866061514.db2.gz VRDYYACXZOABQL-CYBMUJFWSA-N -1 1 365.367 0.665 10 0 FCAEMM CCN(CC)C(=O)CCCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302841890 866360146 /nfs/dbraw/zinc/36/01/46/866360146.db2.gz DMAFOKZQDKTQJN-UHFFFAOYSA-N -1 1 350.419 0.910 10 0 FCAEMM CCOC(=O)CS[C@H](CNC(=O)CCc1nn[n-]n1)C(F)(F)F ZINC001302853255 866361112 /nfs/dbraw/zinc/36/11/12/866361112.db2.gz IPDOOHCORLXMQM-SSDOTTSWSA-N -1 1 355.342 0.476 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC001303199740 866387698 /nfs/dbraw/zinc/38/76/98/866387698.db2.gz OOJUREWPZMUTBW-JTQLQIEISA-N -1 1 372.476 0.613 10 0 FCAEMM Cc1ncncc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001350420463 866591818 /nfs/dbraw/zinc/59/18/18/866591818.db2.gz ATCUIHZXSSLPQQ-VHSXEESVSA-N -1 1 360.292 0.521 10 0 FCAEMM CCCCc1nnc([N-]C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)s1 ZINC001351795906 866970797 /nfs/dbraw/zinc/97/07/97/866970797.db2.gz RYHAKGKMWNCHME-UHFFFAOYSA-N -1 1 370.460 0.964 10 0 FCAEMM O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001352794021 867256078 /nfs/dbraw/zinc/25/60/78/867256078.db2.gz RBQKRUOWFUEZFD-MNOVXSKESA-N -1 1 362.356 0.244 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1CCC(F)(F)F ZINC001316784786 867477722 /nfs/dbraw/zinc/47/77/22/867477722.db2.gz HZZGIPFHKQNQNN-BDAKNGLRSA-N -1 1 363.340 0.747 10 0 FCAEMM CC(C)Cn1ncc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1C(C)C ZINC001324878289 869701551 /nfs/dbraw/zinc/70/15/51/869701551.db2.gz IUAPEZHPITWLMU-UHFFFAOYSA-N -1 1 350.379 0.184 10 0 FCAEMM C[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001326983439 870602998 /nfs/dbraw/zinc/60/29/98/870602998.db2.gz CGRBUMKWMWFWEI-GXFFZTMASA-N -1 1 355.416 0.315 10 0 FCAEMM CO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CCCC1 ZINC001327483085 870901065 /nfs/dbraw/zinc/90/10/65/870901065.db2.gz KLGSBJWNJYIKTB-GFCCVEGCSA-N -1 1 374.415 0.405 10 0 FCAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001328569125 871512873 /nfs/dbraw/zinc/51/28/73/871512873.db2.gz QKKCRYRPGHMXDX-AWEZNQCLSA-N -1 1 368.440 0.048 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001346308563 871765953 /nfs/dbraw/zinc/76/59/53/871765953.db2.gz YSAHCZYWZFDTML-IZEVZFMRSA-N -1 1 358.423 0.415 10 0 FCAEMM O=C(N1CC[C@H](c2nn[n-]n2)C1)C1(n2cc(Br)cn2)CC1 ZINC001347974724 872548653 /nfs/dbraw/zinc/54/86/53/872548653.db2.gz MYFOZEXNAZMWIZ-QMMMGPOBSA-N -1 1 352.196 0.664 10 0 FCAEMM COC(=O)[C@]1(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)CCOC1 ZINC001348376852 872682496 /nfs/dbraw/zinc/68/24/96/872682496.db2.gz CBBXCHNUYQWBCT-KRWDZBQOSA-N -1 1 352.362 0.621 10 0 FCAEMM CN1CCN(c2cc(C(=O)N[C@]3(C(=O)[O-])CCSC3)ccn2)CC1 ZINC001332613732 873581533 /nfs/dbraw/zinc/58/15/33/873581533.db2.gz NMAGVUNAUZZQLL-MRXNPFEDSA-N -1 1 350.444 0.524 10 0 FCAEMM Cc1c(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)nnn1-c1ccccc1 ZINC000294454077 214247475 /nfs/dbraw/zinc/24/74/75/214247475.db2.gz YNBNNPKQVXFHSB-ZDUSSCGKSA-N -1 1 367.413 0.936 10 0 FCAEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000295260889 214287440 /nfs/dbraw/zinc/28/74/40/214287440.db2.gz AERLWEIOQHLJAV-UHFFFAOYSA-N -1 1 362.429 0.432 10 0 FCAEMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cnc21 ZINC000295274745 214288539 /nfs/dbraw/zinc/28/85/39/214288539.db2.gz ZPHKWTDONMVFAL-UHFFFAOYSA-N -1 1 366.321 0.653 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000360077773 215352888 /nfs/dbraw/zinc/35/28/88/215352888.db2.gz UGWWLUYDDXDZKW-LBPRGKRZSA-N -1 1 368.415 0.747 10 0 FCAEMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cn1C ZINC000284971486 213259010 /nfs/dbraw/zinc/25/90/10/213259010.db2.gz FAYVFONDDRIFLF-UHFFFAOYSA-N -1 1 367.427 0.947 10 0 FCAEMM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000366711225 216020834 /nfs/dbraw/zinc/02/08/34/216020834.db2.gz QXYHWWXTWMZGET-STQMWFEESA-N -1 1 364.475 0.997 10 0 FCAEMM O=C(c1cc(I)ccc1[O-])N1CCO[C@@H](CO)C1 ZINC000229972449 209341632 /nfs/dbraw/zinc/34/16/32/209341632.db2.gz IIGYGYFHCVYNEE-SECBINFHSA-N -1 1 363.151 0.830 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)CCCCOC)CC2)n1 ZINC000368937441 216321875 /nfs/dbraw/zinc/32/18/75/216321875.db2.gz HBNMWHFWAILUPE-UHFFFAOYSA-N -1 1 374.463 0.917 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(CO)Cc3ccccc3C2)co1 ZINC000373436657 217018380 /nfs/dbraw/zinc/01/83/80/217018380.db2.gz WGAGKMQXPYPGSA-UHFFFAOYSA-N -1 1 350.396 0.447 10 0 FCAEMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000375392731 217259067 /nfs/dbraw/zinc/25/90/67/217259067.db2.gz ORZAQUKAVYDJBH-WDEREUQCSA-N -1 1 374.415 0.370 10 0 FCAEMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)c1nn[n-]n1 ZINC000376022676 217345833 /nfs/dbraw/zinc/34/58/33/217345833.db2.gz ULNBKWRFWMNJIF-AAEUAGOBSA-N -1 1 358.402 0.772 10 0 FCAEMM CC(C)C[C@H](CNC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)C(=O)[O-] ZINC000424493681 247239269 /nfs/dbraw/zinc/23/92/69/247239269.db2.gz OMCPKFAPQXOFNT-CYBMUJFWSA-N -1 1 350.419 0.979 10 0 FCAEMM CNC(=O)c1cccc(OCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000425310571 247322084 /nfs/dbraw/zinc/32/20/84/247322084.db2.gz XNJOTCBHUIVNTL-LBPRGKRZSA-N -1 1 360.370 0.920 10 0 FCAEMM Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1=O ZINC000437000347 248057334 /nfs/dbraw/zinc/05/73/34/248057334.db2.gz UACARQPOTWHFNJ-AWEZNQCLSA-N -1 1 356.382 0.616 10 0 FCAEMM CN(C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@@H]1CCN(C2CC2)C1 ZINC000439589299 248134868 /nfs/dbraw/zinc/13/48/68/248134868.db2.gz AUTCZVRSFRQGHB-LLVKDONJSA-N -1 1 351.476 0.891 10 0 FCAEMM C[C@@H]1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CO1 ZINC000438963236 248103044 /nfs/dbraw/zinc/10/30/44/248103044.db2.gz FLYHLCCUSNFYQG-NEPJUHHUSA-N -1 1 370.427 0.777 10 0 FCAEMM C[C@@H]1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CO1 ZINC000438963239 248103318 /nfs/dbraw/zinc/10/33/18/248103318.db2.gz FLYHLCCUSNFYQG-VXGBXAGGSA-N -1 1 370.427 0.777 10 0 FCAEMM C[C@H]1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CO1 ZINC000438963237 248103741 /nfs/dbraw/zinc/10/37/41/248103741.db2.gz FLYHLCCUSNFYQG-NWDGAFQWSA-N -1 1 370.427 0.777 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000439145736 248110925 /nfs/dbraw/zinc/11/09/25/248110925.db2.gz KEJMJYVSBVRXPO-VHSXEESVSA-N -1 1 364.383 0.722 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)[n-]1 ZINC000439145736 248110928 /nfs/dbraw/zinc/11/09/28/248110928.db2.gz KEJMJYVSBVRXPO-VHSXEESVSA-N -1 1 364.383 0.722 10 0 FCAEMM COc1cc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc(Cl)c1[O-] ZINC000443119475 248308058 /nfs/dbraw/zinc/30/80/58/248308058.db2.gz SBCCBOMYXMPTND-UHFFFAOYSA-N -1 1 351.750 0.442 10 0 FCAEMM NC(=O)c1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)on1 ZINC000443769057 248339017 /nfs/dbraw/zinc/33/90/17/248339017.db2.gz GVUCTXABPZRFOT-UHFFFAOYSA-N -1 1 373.774 0.677 10 0 FCAEMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444292342 248354546 /nfs/dbraw/zinc/35/45/46/248354546.db2.gz WTJYFSJEOAMATB-IAQYHMDHSA-N -1 1 365.448 0.606 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCc3noc(C)n3)CC2)n1 ZINC000445145474 248374538 /nfs/dbraw/zinc/37/45/38/248374538.db2.gz YYVAAIXCSCMLQU-UHFFFAOYSA-N -1 1 363.378 0.762 10 0 FCAEMM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000470969059 250083522 /nfs/dbraw/zinc/08/35/22/250083522.db2.gz AZEYOPTWMJEWHT-SNVBAGLBSA-N -1 1 364.431 0.696 10 0 FCAEMM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000473375789 250225617 /nfs/dbraw/zinc/22/56/17/250225617.db2.gz GDKPUSUCXAZQJB-UHFFFAOYSA-N -1 1 364.431 0.648 10 0 FCAEMM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000115582550 208325351 /nfs/dbraw/zinc/32/53/51/208325351.db2.gz YDPYYYVZJDOZLT-UHFFFAOYSA-N -1 1 363.395 0.617 10 0 FCAEMM CO[C@@H]1CC[C@H]2OCCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)[C@@H]2C1 ZINC000120223860 208376803 /nfs/dbraw/zinc/37/68/03/208376803.db2.gz RILZCMRXIHESRD-FVQBIDKESA-N -1 1 374.441 0.977 10 0 FCAEMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)C2 ZINC000180600873 209098974 /nfs/dbraw/zinc/09/89/74/209098974.db2.gz OODCCBBHJQDFJU-ABAIWWIYSA-N -1 1 363.439 0.604 10 0 FCAEMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000631757914 450584327 /nfs/dbraw/zinc/58/43/27/450584327.db2.gz MAPCHYZZTVGKRU-UHFFFAOYSA-N -1 1 361.851 0.440 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@@H]2C)c(Br)n1C ZINC000287431135 488868661 /nfs/dbraw/zinc/86/86/61/488868661.db2.gz PZRIPXYQIPVCBA-HTRCEHHLSA-N -1 1 365.253 0.436 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279028308 488912169 /nfs/dbraw/zinc/91/21/69/488912169.db2.gz BBLVCGWANSQVHQ-GOSISDBHSA-N -1 1 357.414 0.723 10 0 FCAEMM COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000327288601 488919119 /nfs/dbraw/zinc/91/91/19/488919119.db2.gz LWEFIHLAEKZTLM-NSHDSACASA-N -1 1 369.399 0.710 10 0 FCAEMM C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000328648417 488926340 /nfs/dbraw/zinc/92/63/40/488926340.db2.gz UMQCNQGYTHNYHS-ZFWWWQNUSA-N -1 1 369.425 0.973 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)o1 ZINC000048098614 488059289 /nfs/dbraw/zinc/05/92/89/488059289.db2.gz JNMPTOYHYWRCIH-JTQLQIEISA-N -1 1 352.368 0.758 10 0 FCAEMM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CCNC(=O)CC1 ZINC000065902324 488322574 /nfs/dbraw/zinc/32/25/74/488322574.db2.gz FJLXIMVURXKQPX-UHFFFAOYSA-N -1 1 374.422 0.845 10 0 FCAEMM CN(CCc1ccccn1)C(=O)CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000067017271 488342749 /nfs/dbraw/zinc/34/27/49/488342749.db2.gz ZWGJKNSJPZHLJX-UHFFFAOYSA-N -1 1 365.393 0.749 10 0 FCAEMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000249702730 488513888 /nfs/dbraw/zinc/51/38/88/488513888.db2.gz JJHLLSSWBHVTFP-UPJWGTAASA-N -1 1 357.476 0.823 10 0 FCAEMM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000273315567 488643582 /nfs/dbraw/zinc/64/35/82/488643582.db2.gz PTALTSNVRBANPH-TZMCWYRMSA-N -1 1 370.402 0.409 10 0 FCAEMM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152465081 488718299 /nfs/dbraw/zinc/71/82/99/488718299.db2.gz WFCADYNQFPWEOC-LBPRGKRZSA-N -1 1 354.370 0.926 10 0 FCAEMM CCn1nccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1 ZINC000274564236 488719786 /nfs/dbraw/zinc/71/97/86/488719786.db2.gz ZDGWYWYPLNJFDN-UHFFFAOYSA-N -1 1 350.448 0.851 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)co1 ZINC000152623140 488720391 /nfs/dbraw/zinc/72/03/91/488720391.db2.gz LJAGGRFYRUPBKV-VIFPVBQESA-N -1 1 353.404 0.607 10 0 FCAEMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc2nonc21 ZINC000275004369 488752747 /nfs/dbraw/zinc/75/27/47/488752747.db2.gz ORZPKVZLJZNVTH-LLVKDONJSA-N -1 1 354.388 0.440 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)[O-])c[nH]1 ZINC000275028713 488754670 /nfs/dbraw/zinc/75/46/70/488754670.db2.gz TVMLIGPECPLLGQ-GFCCVEGCSA-N -1 1 359.404 0.019 10 0 FCAEMM Cc1sc2ncn(CC(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c(=O)c2c1C ZINC000155506761 488756204 /nfs/dbraw/zinc/75/62/04/488756204.db2.gz PLFNVNVBZPSCLJ-LLVKDONJSA-N -1 1 373.442 0.994 10 0 FCAEMM CCNC(=O)N1CC[C@@H](NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000157811881 488773746 /nfs/dbraw/zinc/77/37/46/488773746.db2.gz MYEDPJQGNFGNBV-GFCCVEGCSA-N -1 1 360.418 0.102 10 0 FCAEMM O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N1CCNC[C@H]1C(F)F ZINC000563162405 491224239 /nfs/dbraw/zinc/22/42/39/491224239.db2.gz DPPQOTXGDNRUSY-ZDUSSCGKSA-N -1 1 364.352 0.323 10 0 FCAEMM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000365013493 489030081 /nfs/dbraw/zinc/03/00/81/489030081.db2.gz JGFXOJQZJWGAEW-OCCSQVGLSA-N -1 1 372.385 0.110 10 0 FCAEMM O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289590443 489079529 /nfs/dbraw/zinc/07/95/29/489079529.db2.gz JIMNKSPFEBSSPR-NEPJUHHUSA-N -1 1 373.388 0.996 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc(N2CCOCC2)n1 ZINC000289680230 489085962 /nfs/dbraw/zinc/08/59/62/489085962.db2.gz COHAPLIURFOJGK-UHFFFAOYSA-N -1 1 353.404 0.275 10 0 FCAEMM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)ccc2N1C ZINC000289802060 489094144 /nfs/dbraw/zinc/09/41/44/489094144.db2.gz YNTQAYGPVPJPLS-ZYHUDNBSSA-N -1 1 370.413 0.895 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000282972804 489203185 /nfs/dbraw/zinc/20/31/85/489203185.db2.gz SIQLDZMBXKCBBE-LLVKDONJSA-N -1 1 365.415 0.026 10 0 FCAEMM Cc1sc2ncc(C(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)c(=O)n2c1C ZINC000282979069 489203592 /nfs/dbraw/zinc/20/35/92/489203592.db2.gz STZMRBHKLROYAZ-JTQLQIEISA-N -1 1 374.426 0.804 10 0 FCAEMM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349462114 489291472 /nfs/dbraw/zinc/29/14/72/489291472.db2.gz KVUHDJPJIDKEAZ-LBPRGKRZSA-N -1 1 363.461 0.264 10 0 FCAEMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1 ZINC000298175853 489300566 /nfs/dbraw/zinc/30/05/66/489300566.db2.gz VRGKVMFCOFVCFU-UHFFFAOYSA-N -1 1 366.399 0.295 10 0 FCAEMM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370160575 489322043 /nfs/dbraw/zinc/32/20/43/489322043.db2.gz HBAPQZQKGJPCBG-LBPRGKRZSA-N -1 1 361.312 0.877 10 0 FCAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000298653029 489349481 /nfs/dbraw/zinc/34/94/81/489349481.db2.gz LHRQNEFLKVFKBO-LBPRGKRZSA-N -1 1 367.383 0.545 10 0 FCAEMM O=c1nc([C@H]2CCCN(CCS(=O)(=O)Cc3ccccc3)C2)[nH][n-]1 ZINC000298698163 489354327 /nfs/dbraw/zinc/35/43/27/489354327.db2.gz ZSDYYVOFPNTVHW-AWEZNQCLSA-N -1 1 350.444 0.892 10 0 FCAEMM O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370859187 489414256 /nfs/dbraw/zinc/41/42/56/489414256.db2.gz FZRPQTROVZIGHX-LLVKDONJSA-N -1 1 371.806 0.227 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000370893577 489424745 /nfs/dbraw/zinc/42/47/45/489424745.db2.gz VVVVUQGTKGEMDW-NEPJUHHUSA-N -1 1 366.422 0.747 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c(Br)n1C ZINC000286888650 489439689 /nfs/dbraw/zinc/43/96/89/489439689.db2.gz NLGSTKBUONOQIY-VIFPVBQESA-N -1 1 367.269 0.100 10 0 FCAEMM C[C@H](C(=O)NC(=O)NC1CC1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000414219981 489493807 /nfs/dbraw/zinc/49/38/07/489493807.db2.gz IKHGIEBIIQLTTI-SECBINFHSA-N -1 1 363.399 0.622 10 0 FCAEMM C[C@H](C(=O)NC(=O)NC1CC1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000414219981 489493810 /nfs/dbraw/zinc/49/38/10/489493810.db2.gz IKHGIEBIIQLTTI-SECBINFHSA-N -1 1 363.399 0.622 10 0 FCAEMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)CC(C)(C)OC)ccc1F ZINC000414378931 489498079 /nfs/dbraw/zinc/49/80/79/489498079.db2.gz CDQJEPKLFKUHSX-UHFFFAOYSA-N -1 1 354.425 0.901 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000428411155 489647231 /nfs/dbraw/zinc/64/72/31/489647231.db2.gz HFJCHRWODVMPGR-DGCLKSJQSA-N -1 1 358.416 0.284 10 0 FCAEMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000430324098 489730982 /nfs/dbraw/zinc/73/09/82/489730982.db2.gz GWQUGEYDEOPDMT-UHFFFAOYSA-N -1 1 350.404 0.771 10 0 FCAEMM CN(C(=O)CSCC(=O)NC1(c2nn[n-]n2)CC1)C1CCCCC1 ZINC000430320045 489731251 /nfs/dbraw/zinc/73/12/51/489731251.db2.gz XAPGYVJNIUCKOF-UHFFFAOYSA-N -1 1 352.464 0.829 10 0 FCAEMM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432310347 489837525 /nfs/dbraw/zinc/83/75/25/489837525.db2.gz AMLGHUOLCNHEDU-BXKDBHETSA-N -1 1 366.436 0.901 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000461466613 489912899 /nfs/dbraw/zinc/91/28/99/489912899.db2.gz YAKAZAHWRFDYGW-VIFPVBQESA-N -1 1 367.383 0.650 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000477044813 489935329 /nfs/dbraw/zinc/93/53/29/489935329.db2.gz PXPZCHILRHRKRJ-NSHDSACASA-N -1 1 370.369 0.339 10 0 FCAEMM O=C(CCCNC(=O)c1ccc(F)cc1F)NC1(c2nn[n-]n2)CC1 ZINC000477042245 489935444 /nfs/dbraw/zinc/93/54/44/489935444.db2.gz IFJFPVFPRDDOAU-UHFFFAOYSA-N -1 1 350.329 0.793 10 0 FCAEMM COc1ccc([C@@H]2[C@@H](C(=O)NC3(c4nn[n-]n4)CC3)CCC(=O)N2C)cc1 ZINC000477038300 489935504 /nfs/dbraw/zinc/93/55/04/489935504.db2.gz YVKWVKWBGWYRNE-DZGCQCFKSA-N -1 1 370.413 0.923 10 0 FCAEMM O=C(Cn1cc(C(=O)NC2(c3nn[n-]n3)CC2)cn1)NC1CCCCC1 ZINC000477054947 489935912 /nfs/dbraw/zinc/93/59/12/489935912.db2.gz CPPSADSAYKPPLV-UHFFFAOYSA-N -1 1 358.406 0.264 10 0 FCAEMM CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H](C)O ZINC000477639695 489980913 /nfs/dbraw/zinc/98/09/13/489980913.db2.gz XIRXNMYJUVQBTN-YPMHNXCESA-N -1 1 372.443 0.759 10 0 FCAEMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000377942427 489984497 /nfs/dbraw/zinc/98/44/97/489984497.db2.gz GXAOVBZUYYNHQL-LLVKDONJSA-N -1 1 372.399 0.124 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000377965644 489988732 /nfs/dbraw/zinc/98/87/32/489988732.db2.gz WTYMVFRVRNDGNN-SNVBAGLBSA-N -1 1 362.839 0.132 10 0 FCAEMM O=C(C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccc([O-])cc1 ZINC000436746150 490012134 /nfs/dbraw/zinc/01/21/34/490012134.db2.gz FYRSCLUYLHFMML-GFCCVEGCSA-N -1 1 366.439 0.895 10 0 FCAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)n1nnc(-c2ccccc2)n1 ZINC000463685478 490024938 /nfs/dbraw/zinc/02/49/38/490024938.db2.gz SHVWDBANLODUSK-LLVKDONJSA-N -1 1 353.390 1.000 10 0 FCAEMM C[C@H](CN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1nn[n-]n1 ZINC000478586854 490026746 /nfs/dbraw/zinc/02/67/46/490026746.db2.gz RBNYPYZFXGKQJY-MRVPVSSYSA-N -1 1 356.390 0.940 10 0 FCAEMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793256 490117053 /nfs/dbraw/zinc/11/70/53/490117053.db2.gz FHPGNTPXGUCUPV-NSHDSACASA-N -1 1 374.401 0.774 10 0 FCAEMM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000497407731 490159148 /nfs/dbraw/zinc/15/91/48/490159148.db2.gz MZVYBRRWCRLYAZ-LLVKDONJSA-N -1 1 367.427 0.002 10 0 FCAEMM CC(C)NC(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000507072288 490170740 /nfs/dbraw/zinc/17/07/40/490170740.db2.gz QWESDUWBRKLIHR-UHFFFAOYSA-N -1 1 351.388 0.599 10 0 FCAEMM CC(C)NC(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000507072288 490170743 /nfs/dbraw/zinc/17/07/43/490170743.db2.gz QWESDUWBRKLIHR-UHFFFAOYSA-N -1 1 351.388 0.599 10 0 FCAEMM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000408071012 490239449 /nfs/dbraw/zinc/23/94/49/490239449.db2.gz JIZIOJYUOOBKIM-SCVCMEIPSA-N -1 1 358.464 0.509 10 0 FCAEMM CN1CCN(c2ccc(NS(=O)(=O)NC3CC3)c(C(=O)[O-])c2)CC1 ZINC000547873696 490372064 /nfs/dbraw/zinc/37/20/64/490372064.db2.gz UXEVWXHGCJANBH-UHFFFAOYSA-N -1 1 354.432 0.545 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000449891823 490436755 /nfs/dbraw/zinc/43/67/55/490436755.db2.gz MBBOJDRKJTXFQF-UHFFFAOYSA-N -1 1 370.413 0.818 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCCC[C@@H]1CC(N)=O ZINC000509852862 490470885 /nfs/dbraw/zinc/47/08/85/490470885.db2.gz UUMFWUZYXVVZEP-CQSZACIVSA-N -1 1 369.425 0.939 10 0 FCAEMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)nnn1Cc1ccc(F)cc1F ZINC000484909378 490477344 /nfs/dbraw/zinc/47/73/44/490477344.db2.gz NABFFFNUVYFOOR-UHFFFAOYSA-N -1 1 360.328 0.845 10 0 FCAEMM CN(CC(=O)NC1(c2nn[n-]n2)CCCC1)S(=O)(=O)c1ccccc1 ZINC000524040378 490513734 /nfs/dbraw/zinc/51/37/34/490513734.db2.gz ZDIJLNZPVFZNCA-UHFFFAOYSA-N -1 1 364.431 0.406 10 0 FCAEMM Cc1[nH]ncc1C1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000564978801 491342679 /nfs/dbraw/zinc/34/26/79/491342679.db2.gz ONYXHUWQROSJHO-ABAIWWIYSA-N -1 1 362.430 0.993 10 0 FCAEMM CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000537124690 490651059 /nfs/dbraw/zinc/65/10/59/490651059.db2.gz CXSLNWYLFDLXHK-LBPRGKRZSA-N -1 1 364.431 0.518 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C(N)=O)C1 ZINC000565022140 491345951 /nfs/dbraw/zinc/34/59/51/491345951.db2.gz NEZZPZFRWHOSFN-UHFFFAOYSA-N -1 1 355.398 0.819 10 0 FCAEMM CC(=O)N[C@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccccc1 ZINC000512666530 490691574 /nfs/dbraw/zinc/69/15/74/490691574.db2.gz WSXFTISMPSCUOL-LLVKDONJSA-N -1 1 351.388 0.414 10 0 FCAEMM CC(=O)N[C@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccccc1 ZINC000512666530 490691577 /nfs/dbraw/zinc/69/15/77/490691577.db2.gz WSXFTISMPSCUOL-LLVKDONJSA-N -1 1 351.388 0.414 10 0 FCAEMM Cc1c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nnn1-c1ccc(C)cc1 ZINC000512646026 490692097 /nfs/dbraw/zinc/69/20/97/490692097.db2.gz RSEWMQZUQQANBS-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM Cc1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nnn1-c1ccc(C)cc1 ZINC000512646026 490692100 /nfs/dbraw/zinc/69/21/00/490692100.db2.gz RSEWMQZUQQANBS-UHFFFAOYSA-N -1 1 361.387 0.658 10 0 FCAEMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000487402158 490711259 /nfs/dbraw/zinc/71/12/59/490711259.db2.gz SSFHWQLKOCXANF-RKDXNWHRSA-N -1 1 363.461 0.495 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000538227746 490720717 /nfs/dbraw/zinc/72/07/17/490720717.db2.gz DMZVYGGFEXZHGF-LLVKDONJSA-N -1 1 350.404 0.128 10 0 FCAEMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000513450418 490729773 /nfs/dbraw/zinc/72/97/73/490729773.db2.gz KALQYLZJKCUVBF-NSHDSACASA-N -1 1 364.427 0.467 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)co1 ZINC000527519533 490731816 /nfs/dbraw/zinc/73/18/16/490731816.db2.gz XEYUBHYXPHNEFD-LLVKDONJSA-N -1 1 352.368 0.758 10 0 FCAEMM CNC(=O)[C@@H](CNc1nc2[nH][n-]cc-2c(=O)n1)Cc1ccc(F)cc1C ZINC000572238717 491357717 /nfs/dbraw/zinc/35/77/17/491357717.db2.gz YUHYQAGUJHZKOR-LLVKDONJSA-N -1 1 358.377 0.896 10 0 FCAEMM CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2cnn(-c3ccncc3)c2)CO1 ZINC000529105933 490842163 /nfs/dbraw/zinc/84/21/63/490842163.db2.gz PYNIZHDFWNRJBJ-CYBMUJFWSA-N -1 1 350.400 0.894 10 0 FCAEMM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCO1 ZINC000529732624 490867784 /nfs/dbraw/zinc/86/77/84/490867784.db2.gz CLYROSCCAWBJPO-SNVBAGLBSA-N -1 1 357.794 0.824 10 0 FCAEMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000541757182 490871467 /nfs/dbraw/zinc/87/14/67/490871467.db2.gz NAEDTNLODDKNDT-SECBINFHSA-N -1 1 353.360 0.023 10 0 FCAEMM CS(=O)(=O)c1nnc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)[n-]1 ZINC000541757182 490871469 /nfs/dbraw/zinc/87/14/69/490871469.db2.gz NAEDTNLODDKNDT-SECBINFHSA-N -1 1 353.360 0.023 10 0 FCAEMM CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000530974023 490934315 /nfs/dbraw/zinc/93/43/15/490934315.db2.gz CPPROKDNUVWQTQ-JTQLQIEISA-N -1 1 365.415 0.293 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531248901 490947785 /nfs/dbraw/zinc/94/77/85/490947785.db2.gz SQHWXLQKRRFYMS-LBPRGKRZSA-N -1 1 365.411 0.448 10 0 FCAEMM COC(=O)[C@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCSC1 ZINC000592042046 491828813 /nfs/dbraw/zinc/82/88/13/491828813.db2.gz YFSCSPUYIZJSMD-OCCSQVGLSA-N -1 1 367.489 0.396 10 0 FCAEMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000572528186 491376769 /nfs/dbraw/zinc/37/67/69/491376769.db2.gz HREWZPPXSTWISL-MFKMUULPSA-N -1 1 364.427 1.033 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)o1 ZINC000557861740 491401698 /nfs/dbraw/zinc/40/16/98/491401698.db2.gz SGFSCJLVQBMKLD-GFCCVEGCSA-N -1 1 354.384 0.906 10 0 FCAEMM C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000565873115 491404532 /nfs/dbraw/zinc/40/45/32/491404532.db2.gz TVRDPWYDKSQYRD-AAEUAGOBSA-N -1 1 364.427 0.929 10 0 FCAEMM C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000565873115 491404535 /nfs/dbraw/zinc/40/45/35/491404535.db2.gz TVRDPWYDKSQYRD-AAEUAGOBSA-N -1 1 364.427 0.929 10 0 FCAEMM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000565873119 491404713 /nfs/dbraw/zinc/40/47/13/491404713.db2.gz TVRDPWYDKSQYRD-YPMHNXCESA-N -1 1 364.427 0.929 10 0 FCAEMM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000565873119 491404714 /nfs/dbraw/zinc/40/47/14/491404714.db2.gz TVRDPWYDKSQYRD-YPMHNXCESA-N -1 1 364.427 0.929 10 0 FCAEMM O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000558552955 491435627 /nfs/dbraw/zinc/43/56/27/491435627.db2.gz ISXDMBKHQYFOOD-JTQLQIEISA-N -1 1 368.394 0.023 10 0 FCAEMM CN(C)S(=O)(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000584362502 491583143 /nfs/dbraw/zinc/58/31/43/491583143.db2.gz DPZUHBTWNIXLTO-CQSZACIVSA-N -1 1 359.423 0.766 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC000562269076 491663711 /nfs/dbraw/zinc/66/37/11/491663711.db2.gz VECOQFMTTZBFAQ-FGWVZKOKSA-N -1 1 368.411 0.481 10 0 FCAEMM CN1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000590606513 491781320 /nfs/dbraw/zinc/78/13/20/491781320.db2.gz UFXKFTTVHKEOJB-LLVKDONJSA-N -1 1 365.452 0.570 10 0 FCAEMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000582846401 491829118 /nfs/dbraw/zinc/82/91/18/491829118.db2.gz ZWTKIZTWSLUAGY-ZNMIVQPWSA-N -1 1 369.462 0.029 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOCC(F)(F)F)c1ccnn1C ZINC000592091896 491831489 /nfs/dbraw/zinc/83/14/89/491831489.db2.gz MMQZJVSGYFGVLF-VIFPVBQESA-N -1 1 359.326 0.133 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)o1 ZINC000592091753 491831772 /nfs/dbraw/zinc/83/17/72/491831772.db2.gz KRCFGHCJUQTTLG-LBPRGKRZSA-N -1 1 371.371 0.382 10 0 FCAEMM COC(=O)c1nscc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC ZINC000594865006 491868234 /nfs/dbraw/zinc/86/82/34/491868234.db2.gz IQGZDSKWVFOSNQ-NSHDSACASA-N -1 1 354.381 0.499 10 0 FCAEMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000594866934 491868536 /nfs/dbraw/zinc/86/85/36/491868536.db2.gz VPFMPMPPCXUYIF-OCCSQVGLSA-N -1 1 355.428 0.639 10 0 FCAEMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000601314608 491903408 /nfs/dbraw/zinc/90/34/08/491903408.db2.gz KZROJYSYFDENEW-HUUCEWRRSA-N -1 1 368.455 0.701 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000601368924 491909511 /nfs/dbraw/zinc/90/95/11/491909511.db2.gz GWVHJNKDQDSRBJ-ZFWWWQNUSA-N -1 1 358.460 0.791 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000595337291 491921160 /nfs/dbraw/zinc/92/11/60/491921160.db2.gz VNOKSCUENQNIPD-KGLIPLIRSA-N -1 1 355.428 0.781 10 0 FCAEMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000595337293 491921477 /nfs/dbraw/zinc/92/14/77/491921477.db2.gz VNOKSCUENQNIPD-ZIAGYGMSSA-N -1 1 355.428 0.781 10 0 FCAEMM O=C(c1ccc(I)c([O-])c1)N1C[C@H](O)C[C@H](O)C1 ZINC000612830363 491954025 /nfs/dbraw/zinc/95/40/25/491954025.db2.gz JJUPTYDJYGEKDE-DTORHVGOSA-N -1 1 363.151 0.565 10 0 FCAEMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H](O)C1CC1 ZINC000613020507 491962742 /nfs/dbraw/zinc/96/27/42/491962742.db2.gz ADOLNDPHQRGNBK-CQSZACIVSA-N -1 1 356.400 0.123 10 0 FCAEMM CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)ccc1[O-] ZINC000614568877 492039275 /nfs/dbraw/zinc/03/92/75/492039275.db2.gz KODLFXFEBVJFQV-VIFPVBQESA-N -1 1 350.400 0.767 10 0 FCAEMM COc1cccc(S([O-])=CC(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000597625143 492052110 /nfs/dbraw/zinc/05/21/10/492052110.db2.gz GPUJDLWWYJDWSV-SHACYNPGSA-N -1 1 351.472 0.309 10 0 FCAEMM CCn1c2ccccc2n(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1=O ZINC000605381520 492093052 /nfs/dbraw/zinc/09/30/52/492093052.db2.gz XFRWGMIAWUVXCI-UHFFFAOYSA-N -1 1 355.402 0.922 10 0 FCAEMM CNC(=O)COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000605531668 492097722 /nfs/dbraw/zinc/09/77/22/492097722.db2.gz CPMAPWRKNDVIRK-UHFFFAOYSA-N -1 1 374.401 0.532 10 0 FCAEMM CS(=O)(=O)Nc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605530710 492097888 /nfs/dbraw/zinc/09/78/88/492097888.db2.gz PIXYGXSSAIPYES-UHFFFAOYSA-N -1 1 350.404 0.771 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CCN2C(=O)COc3ccccc32)n[n-]1 ZINC000615917507 492106908 /nfs/dbraw/zinc/10/69/08/492106908.db2.gz NKGJOEPNTSPPIT-UHFFFAOYSA-N -1 1 373.369 0.413 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CCN2C(=O)COc3ccccc32)n1 ZINC000615917507 492106910 /nfs/dbraw/zinc/10/69/10/492106910.db2.gz NKGJOEPNTSPPIT-UHFFFAOYSA-N -1 1 373.369 0.413 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n[n-]1 ZINC000615918878 492107300 /nfs/dbraw/zinc/10/73/00/492107300.db2.gz BNZPDXQAKCMURZ-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000615918878 492107302 /nfs/dbraw/zinc/10/73/02/492107302.db2.gz BNZPDXQAKCMURZ-UHFFFAOYSA-N -1 1 364.358 0.937 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)n[n-]1 ZINC000616030164 492115004 /nfs/dbraw/zinc/11/50/04/492115004.db2.gz VXHWWWQNELPDSA-UWVGGRQHSA-N -1 1 369.447 0.545 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)n1 ZINC000616030164 492115008 /nfs/dbraw/zinc/11/50/08/492115008.db2.gz VXHWWWQNELPDSA-UWVGGRQHSA-N -1 1 369.447 0.545 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCNC(=O)CC2)o1 ZINC000616362061 492127435 /nfs/dbraw/zinc/12/74/35/492127435.db2.gz VSWYMUKWPPJIDX-SNVBAGLBSA-N -1 1 357.432 0.755 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]C(C)(C)c2noc(C)n2)on1 ZINC000599230147 492146000 /nfs/dbraw/zinc/14/60/00/492146000.db2.gz XTCLHEVGYYUKGO-UHFFFAOYSA-N -1 1 358.376 0.897 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1F ZINC000599233925 492146446 /nfs/dbraw/zinc/14/64/46/492146446.db2.gz WQEGTRFTNRRQNT-MRVPVSSYSA-N -1 1 360.342 0.710 10 0 FCAEMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1F ZINC000599233926 492146540 /nfs/dbraw/zinc/14/65/40/492146540.db2.gz WQEGTRFTNRRQNT-QMMMGPOBSA-N -1 1 360.342 0.710 10 0 FCAEMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000607881479 492151661 /nfs/dbraw/zinc/15/16/61/492151661.db2.gz IQPBHEQMLRMBFI-CYBMUJFWSA-N -1 1 371.463 0.131 10 0 FCAEMM CNC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)c1ccccc1 ZINC000599302432 492157272 /nfs/dbraw/zinc/15/72/72/492157272.db2.gz JMUKAOOSSVUNCW-LLVKDONJSA-N -1 1 367.383 0.617 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(CNC(C)=O)cc2)o1 ZINC000617158506 492158201 /nfs/dbraw/zinc/15/82/01/492158201.db2.gz DYEHTGQDBNQVDK-UHFFFAOYSA-N -1 1 365.411 0.754 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)o1 ZINC000617225809 492160220 /nfs/dbraw/zinc/16/02/20/492160220.db2.gz CZKQOVYHRKEBIH-UHFFFAOYSA-N -1 1 364.305 0.927 10 0 FCAEMM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000599402921 492168622 /nfs/dbraw/zinc/16/86/22/492168622.db2.gz HAYLLBSLQFFGDM-BXUZGUMPSA-N -1 1 372.443 0.175 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000599403429 492168736 /nfs/dbraw/zinc/16/87/36/492168736.db2.gz DGDZYJORETVLNK-GJZGRUSLSA-N -1 1 357.428 0.878 10 0 FCAEMM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000599404700 492168899 /nfs/dbraw/zinc/16/88/99/492168899.db2.gz WBMWZJNQIFQVOM-TUKIKUTGSA-N -1 1 357.428 0.876 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)o1 ZINC000617526579 492174057 /nfs/dbraw/zinc/17/40/57/492174057.db2.gz BZLKCDYQVYBWJA-SDDRHHMPSA-N -1 1 360.432 0.484 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000608367111 492174372 /nfs/dbraw/zinc/17/43/72/492174372.db2.gz UPEXYDQGTGFWLU-GFCCVEGCSA-N -1 1 351.378 0.651 10 0 FCAEMM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000599456086 492175032 /nfs/dbraw/zinc/17/50/32/492175032.db2.gz IUXUFUQXCZLBKG-IHRRRGAJSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1ncccc1Br ZINC000599460933 492176125 /nfs/dbraw/zinc/17/61/25/492176125.db2.gz AYTDQMQFVMVODY-ZETCQYMHSA-N -1 1 353.194 0.046 10 0 FCAEMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)o1 ZINC000599526530 492183849 /nfs/dbraw/zinc/18/38/49/492183849.db2.gz WJTKOKFRJKBYDA-LLVKDONJSA-N -1 1 356.400 0.888 10 0 FCAEMM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c1C ZINC000608800452 492193336 /nfs/dbraw/zinc/19/33/36/492193336.db2.gz LWEJVOGDCVBLLA-UHFFFAOYSA-N -1 1 358.358 0.522 10 0 FCAEMM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617891473 492203704 /nfs/dbraw/zinc/20/37/04/492203704.db2.gz ZHNNFSUPPAQSDQ-GXSJLCMTSA-N -1 1 353.318 0.953 10 0 FCAEMM CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000610418595 492245290 /nfs/dbraw/zinc/24/52/90/492245290.db2.gz DXOJWEZZJSDAHT-UHFFFAOYSA-N -1 1 366.403 0.816 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)o1 ZINC000600427347 492269157 /nfs/dbraw/zinc/26/91/57/492269157.db2.gz ITLYETZHKLODHX-GHMZBOCLSA-N -1 1 374.415 0.276 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)co1 ZINC000620778474 492335427 /nfs/dbraw/zinc/33/54/27/492335427.db2.gz NPDRXBCTPPFBIQ-VIFPVBQESA-N -1 1 356.322 0.981 10 0 FCAEMM CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000634518303 492352576 /nfs/dbraw/zinc/35/25/76/492352576.db2.gz VYIXKBLPUZIVKY-SNVBAGLBSA-N -1 1 372.219 0.925 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)co1 ZINC000627740301 492371002 /nfs/dbraw/zinc/37/10/02/492371002.db2.gz JRGQVOBAHPKQTB-UHFFFAOYSA-N -1 1 371.459 0.515 10 0 FCAEMM COc1cc2[n-]cc(C(=O)N3CCO[C@@H]([C@@H](C)O)C3)c(=O)c2c(OC)c1 ZINC000627768025 492379162 /nfs/dbraw/zinc/37/91/62/492379162.db2.gz LCZDVRZAVQPLNI-MEBBXXQBSA-N -1 1 362.382 0.767 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000655242525 492418905 /nfs/dbraw/zinc/41/89/05/492418905.db2.gz AUAQGWPESWJBLV-SDDRHHMPSA-N -1 1 359.448 0.415 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000622079746 492451728 /nfs/dbraw/zinc/45/17/28/492451728.db2.gz AWINNXPJCAUYHF-IIAWOOMASA-N -1 1 374.441 0.983 10 0 FCAEMM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc3nc(C)cc(=O)n3[n-]1)C2 ZINC000622871906 492491548 /nfs/dbraw/zinc/49/15/48/492491548.db2.gz MQYISIFUSLKCMX-LLVKDONJSA-N -1 1 355.354 0.924 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC(C)(C)[C@@]1(O)CCOC1 ZINC000649092600 492498206 /nfs/dbraw/zinc/49/82/06/492498206.db2.gz SVUBJYIMESKKLW-GOSISDBHSA-N -1 1 362.430 0.888 10 0 FCAEMM COc1cc(C(=O)N2CCC(NS(N)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000629184855 492586609 /nfs/dbraw/zinc/58/66/09/492586609.db2.gz OJYMFIMPEMFCHS-UHFFFAOYSA-N -1 1 363.823 0.452 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)nc2n1 ZINC000643909627 492601370 /nfs/dbraw/zinc/60/13/70/492601370.db2.gz VTQRYNDVCDCOQO-HBNTYKKESA-N -1 1 372.385 0.228 10 0 FCAEMM COc1ncc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000650387530 492636827 /nfs/dbraw/zinc/63/68/27/492636827.db2.gz PIPKSZKGVYBFCH-JTQLQIEISA-N -1 1 360.779 0.441 10 0 FCAEMM O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1ncccc1Br ZINC000656859659 492652928 /nfs/dbraw/zinc/65/29/28/492652928.db2.gz SVFHEWJKVDMDEG-SSDOTTSWSA-N -1 1 355.235 0.310 10 0 FCAEMM CO[C@@]1(C[N-]S(=O)(=O)c2ncccc2Br)CCOC1 ZINC000656959803 492679757 /nfs/dbraw/zinc/67/97/57/492679757.db2.gz DACYAVDNXXSSJH-LLVKDONJSA-N -1 1 351.222 0.928 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1CCOC1 ZINC000656955428 492678017 /nfs/dbraw/zinc/67/80/17/492678017.db2.gz GEJHQACKWUTLNU-TUKIKUTGSA-N -1 1 372.418 0.512 10 0 FCAEMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2ncccc2Br)C1=O ZINC000657016527 492694889 /nfs/dbraw/zinc/69/48/89/492694889.db2.gz AATIWXGMZAYXOT-QMMMGPOBSA-N -1 1 362.205 0.270 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)c(=O)n(C)c1=O ZINC000657040270 492701791 /nfs/dbraw/zinc/70/17/91/492701791.db2.gz NBTPRRKTZSHZTH-ZDUSSCGKSA-N -1 1 355.460 0.865 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CCOCC1 ZINC000657072247 492709397 /nfs/dbraw/zinc/70/93/97/492709397.db2.gz YPWFUFYQXYSDRC-AWEZNQCLSA-N -1 1 368.455 0.689 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCOC1 ZINC000657072260 492709605 /nfs/dbraw/zinc/70/96/05/492709605.db2.gz YVBOPSSLLNFLNN-SQWLQELKSA-N -1 1 368.455 0.545 10 0 FCAEMM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1c(F)cccc1Cl ZINC000657085439 492711669 /nfs/dbraw/zinc/71/16/69/492711669.db2.gz HBTJUPZMABUAJE-ZDUSSCGKSA-N -1 1 353.799 0.925 10 0 FCAEMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000657108877 492722832 /nfs/dbraw/zinc/72/28/32/492722832.db2.gz BEVQJQRSLJRJNF-CQSZACIVSA-N -1 1 369.418 0.899 10 0 FCAEMM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC000625195024 492737681 /nfs/dbraw/zinc/73/76/81/492737681.db2.gz ORGGPKJRALLWSX-STQMWFEESA-N -1 1 358.391 0.060 10 0 FCAEMM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1)c1ccc(F)cc1 ZINC000625275626 492749346 /nfs/dbraw/zinc/74/93/46/492749346.db2.gz JERXAANGEQTJPK-LBPRGKRZSA-N -1 1 357.363 0.720 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CCOCC1 ZINC000651555255 492780459 /nfs/dbraw/zinc/78/04/59/492780459.db2.gz JEEVHRXIQDBEJI-HNNXBMFYSA-N -1 1 368.455 0.907 10 0 FCAEMM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[n-]1 ZINC000651672402 492804130 /nfs/dbraw/zinc/80/41/30/492804130.db2.gz ZUFQPQNAIUZPHE-GOEBONIOSA-N -1 1 370.457 0.856 10 0 FCAEMM Cc1cc(CS(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)no1 ZINC000625617631 492840300 /nfs/dbraw/zinc/84/03/00/492840300.db2.gz JSWUCDWJSITREL-UHFFFAOYSA-N -1 1 367.383 0.812 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCC1 ZINC000632038174 492916662 /nfs/dbraw/zinc/91/66/62/492916662.db2.gz QUYFVVOSORXQIS-CYBMUJFWSA-N -1 1 370.475 0.794 10 0 FCAEMM COC1(CS(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CCC1 ZINC000632048248 492920219 /nfs/dbraw/zinc/92/02/19/492920219.db2.gz DUJXBGJMGHOMAP-WCQYABFASA-N -1 1 356.448 0.402 10 0 FCAEMM O=C1[C@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CN1c1ccc(F)cc1 ZINC000632197422 492948574 /nfs/dbraw/zinc/94/85/74/492948574.db2.gz QAYMCJISUQZYRV-UONOGXRCSA-N -1 1 367.402 0.224 10 0 FCAEMM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000626237610 492950645 /nfs/dbraw/zinc/95/06/45/492950645.db2.gz AICRLFSYGXDHNH-SECBINFHSA-N -1 1 368.394 0.314 10 0 FCAEMM COc1ccc(NC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1[N-]S(C)(=O)=O ZINC000626408094 492972904 /nfs/dbraw/zinc/97/29/04/492972904.db2.gz JTWJNQMNROHFMS-CZMCAQCFSA-N -1 1 356.404 0.452 10 0 FCAEMM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632548705 493027310 /nfs/dbraw/zinc/02/73/10/493027310.db2.gz VEACBEYLFJTXQC-ZIAGYGMSSA-N -1 1 363.439 0.257 10 0 FCAEMM O=C1[C@@H]([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)CCN1C1CCC1 ZINC000632601610 493043279 /nfs/dbraw/zinc/04/32/79/493043279.db2.gz JXQUKMPCCAMHKL-QMMMGPOBSA-N -1 1 352.338 0.860 10 0 FCAEMM Cc1[n-][nH]c(=O)c1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000646410284 493046095 /nfs/dbraw/zinc/04/60/95/493046095.db2.gz AZPQEOFNUBHROG-OAHLLOKOSA-N -1 1 369.381 0.838 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)c(=O)n(C)c1=O ZINC000632686128 493065661 /nfs/dbraw/zinc/06/56/61/493065661.db2.gz YDQJPQAVAZVVNO-CYBMUJFWSA-N -1 1 371.459 0.102 10 0 FCAEMM COc1cc(F)c(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c(F)c1 ZINC000632706467 493068576 /nfs/dbraw/zinc/06/85/76/493068576.db2.gz HBPLFPGSGLIMAL-UHFFFAOYSA-N -1 1 356.354 0.931 10 0 FCAEMM CN1C[C@H](N[C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CCC1=O ZINC000653285367 493090068 /nfs/dbraw/zinc/09/00/68/493090068.db2.gz MRFLRRHPRYASHW-ZIAGYGMSSA-N -1 1 359.382 0.223 10 0 FCAEMM CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)CC1 ZINC000633070306 493114458 /nfs/dbraw/zinc/11/44/58/493114458.db2.gz WNSTYQYAFHNXGR-GOSISDBHSA-N -1 1 369.462 0.269 10 0 FCAEMM CO[C@H](CS(=O)(=O)[N-]c1cccnc1-n1cncn1)C1CCOCC1 ZINC000647125880 493168204 /nfs/dbraw/zinc/16/82/04/493168204.db2.gz DRHKOMNCHZCPJN-CQSZACIVSA-N -1 1 367.431 0.846 10 0 FCAEMM CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000659408493 493168442 /nfs/dbraw/zinc/16/84/42/493168442.db2.gz VRVVESIADMFAIP-GJZGRUSLSA-N -1 1 371.397 0.978 10 0 FCAEMM CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000681587494 493191750 /nfs/dbraw/zinc/19/17/50/493191750.db2.gz ZTGDINCFSOZBDQ-UHFFFAOYSA-N -1 1 358.464 0.326 10 0 FCAEMM CSc1nc(C)c(CCC(=O)N2CCN(C3CC3)C(=O)C2)c(=O)[n-]1 ZINC000673959958 493377543 /nfs/dbraw/zinc/37/75/43/493377543.db2.gz WKXUGCYSFOFCFA-UHFFFAOYSA-N -1 1 350.444 0.978 10 0 FCAEMM O=C(NCc1c[nH]nn1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000675621893 493495757 /nfs/dbraw/zinc/49/57/57/493495757.db2.gz DWZYDQCIDBPTJS-UHFFFAOYSA-N -1 1 364.412 0.992 10 0 FCAEMM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)Nc1ccc(Br)cn1)C2 ZINC000662219720 493497726 /nfs/dbraw/zinc/49/77/26/493497726.db2.gz HRENDTHOJNTYMV-YMTOWFKASA-N -1 1 370.203 0.816 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)sc1C ZINC000676415806 493550211 /nfs/dbraw/zinc/55/02/11/493550211.db2.gz CDBGBRXHYOLZCA-IINYFYTJSA-N -1 1 372.472 0.759 10 0 FCAEMM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047594 493583102 /nfs/dbraw/zinc/58/31/02/493583102.db2.gz FLYPUFAVYVKPKT-GFCCVEGCSA-N -1 1 353.386 0.706 10 0 FCAEMM COc1cccc([C@H]2[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CCN2C2CC2)c1 ZINC000679265632 493673396 /nfs/dbraw/zinc/67/33/96/493673396.db2.gz HGBLLCBJVDSPFM-ZFWWWQNUSA-N -1 1 371.397 0.999 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cc(C(N)=O)co1 ZINC000190761862 534645837 /nfs/dbraw/zinc/64/58/37/534645837.db2.gz UQSKFSBCBXBTDE-UHFFFAOYSA-N -1 1 357.370 0.993 10 0 FCAEMM CCOC(=O)C1(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CCOCC1 ZINC000425303478 535560913 /nfs/dbraw/zinc/56/09/13/535560913.db2.gz OQMIFWRJKYECLJ-NSHDSACASA-N -1 1 353.375 0.841 10 0 FCAEMM COc1ccc(NC(=O)C(=O)N[C@H]2CC23CC3)cc1[N-]S(C)(=O)=O ZINC000425799168 536748787 /nfs/dbraw/zinc/74/87/87/536748787.db2.gz LTFXWHSOFAQUGY-LBPRGKRZSA-N -1 1 353.400 0.674 10 0 FCAEMM COC[C@@](C)(O)CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000452369465 536809023 /nfs/dbraw/zinc/80/90/23/536809023.db2.gz YIKRJPSZUCJXSM-KRWDZBQOSA-N -1 1 350.419 0.888 10 0 FCAEMM Cn1nccc1[C@@H]([N-]S(=O)(=O)c1ccnn1C)C(=O)OC(C)(C)C ZINC000592106470 546607969 /nfs/dbraw/zinc/60/79/69/546607969.db2.gz VHULGDVZZHOQIY-GFCCVEGCSA-N -1 1 355.420 0.515 10 0 FCAEMM Cn1nccc1[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000592106098 546608518 /nfs/dbraw/zinc/60/85/18/546608518.db2.gz PAKXGGZFLWMUDY-YPMHNXCESA-N -1 1 359.448 0.759 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccnn1C ZINC000592094163 546610615 /nfs/dbraw/zinc/61/06/15/546610615.db2.gz BMQZCTYWRPPNPQ-ONGXEEELSA-N -1 1 351.375 0.989 10 0 FCAEMM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594744005 546818577 /nfs/dbraw/zinc/81/85/77/546818577.db2.gz FWGVVVLAJAQLSX-JYJNAYRXSA-N -1 1 371.455 0.742 10 0 FCAEMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000594821724 546836582 /nfs/dbraw/zinc/83/65/82/546836582.db2.gz JJMMSDZIAANXNX-GWCFXTLKSA-N -1 1 359.400 0.638 10 0 FCAEMM C[C@@](O)(CO)CNC(=O)c1cc(I)ccc1[O-] ZINC000235403501 547020902 /nfs/dbraw/zinc/02/09/02/547020902.db2.gz UEQKSEBXPUDYQS-NSHDSACASA-N -1 1 351.140 0.470 10 0 FCAEMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(Br)n1C ZINC000311528530 664110351 /nfs/dbraw/zinc/11/03/51/664110351.db2.gz QQQYIYCCDRXTET-ZETCQYMHSA-N -1 1 351.226 0.048 10 0 FCAEMM O=C([O-])[C@@]1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCSC1 ZINC000909352367 664368341 /nfs/dbraw/zinc/36/83/41/664368341.db2.gz OSLNDAJHFYAEFN-QGZVFWFLSA-N -1 1 364.471 0.670 10 0 FCAEMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000728071009 665121236 /nfs/dbraw/zinc/12/12/36/665121236.db2.gz SAXWGDUYUWVGBM-WHXYTISESA-N -1 1 373.460 0.405 10 0 FCAEMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000728071009 665121238 /nfs/dbraw/zinc/12/12/38/665121238.db2.gz SAXWGDUYUWVGBM-WHXYTISESA-N -1 1 373.460 0.405 10 0 FCAEMM COC[C@@](C)([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OC ZINC000866947746 665238135 /nfs/dbraw/zinc/23/81/35/665238135.db2.gz DWXILAQFHHOKQA-SNVBAGLBSA-N -1 1 359.326 0.295 10 0 FCAEMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866965933 665252041 /nfs/dbraw/zinc/25/20/41/665252041.db2.gz QDWLYPDCIWQMMO-ZETCQYMHSA-N -1 1 363.383 0.540 10 0 FCAEMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866963795 665252916 /nfs/dbraw/zinc/25/29/16/665252916.db2.gz GONXJOABOFNJPR-MRVPVSSYSA-N -1 1 354.354 0.728 10 0 FCAEMM COCC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(N)=O ZINC000907225723 666109649 /nfs/dbraw/zinc/10/96/49/666109649.db2.gz DBRPRNPYPSNRAE-QMMMGPOBSA-N -1 1 366.162 0.943 10 0 FCAEMM Cn1ncc(Br)c1CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479222 666136308 /nfs/dbraw/zinc/13/63/08/666136308.db2.gz ZXXDWAAIUOUXTR-SECBINFHSA-N -1 1 372.252 0.555 10 0 FCAEMM C[C@@]1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCS1(=O)=O ZINC000907960415 666172218 /nfs/dbraw/zinc/17/22/18/666172218.db2.gz TWZSRWKBGODVTC-ZDUSSCGKSA-N -1 1 370.393 0.871 10 0 FCAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000921322286 666432935 /nfs/dbraw/zinc/43/29/35/666432935.db2.gz PUMQQDUAFVVVMH-RYUDHWBXSA-N -1 1 360.457 0.924 10 0 FCAEMM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000921339594 666437140 /nfs/dbraw/zinc/43/71/40/666437140.db2.gz IEUIQSJGXNYMOQ-ZDUSSCGKSA-N -1 1 354.350 0.075 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000921377540 666441956 /nfs/dbraw/zinc/44/19/56/666441956.db2.gz XROVCKYCIVMKKK-SDDRHHMPSA-N -1 1 355.478 0.252 10 0 FCAEMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000921379192 666441990 /nfs/dbraw/zinc/44/19/90/666441990.db2.gz SKKWPIBSWULRML-GRYCIOLGSA-N -1 1 367.489 0.932 10 0 FCAEMM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000921383242 666442540 /nfs/dbraw/zinc/44/25/40/666442540.db2.gz RXUKJZIKZKPWNS-MCIONIFRSA-N -1 1 350.481 0.604 10 0 FCAEMM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000921385256 666442925 /nfs/dbraw/zinc/44/29/25/666442925.db2.gz KPHJQDFWOKYBBP-CABCVRRESA-N -1 1 374.434 0.160 10 0 FCAEMM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000921383244 666442961 /nfs/dbraw/zinc/44/29/61/666442961.db2.gz RXUKJZIKZKPWNS-RDBSUJKOSA-N -1 1 350.481 0.604 10 0 FCAEMM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC000921385033 666443024 /nfs/dbraw/zinc/44/30/24/666443024.db2.gz BMAAKJYMRURJQH-ZDUSSCGKSA-N -1 1 373.402 0.782 10 0 FCAEMM CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912491774 666445961 /nfs/dbraw/zinc/44/59/61/666445961.db2.gz MTYSTSTYTIQAOH-NSHDSACASA-N -1 1 362.352 0.412 10 0 FCAEMM O=C(Nc1c([O-])cccc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000735925649 667060267 /nfs/dbraw/zinc/06/02/67/667060267.db2.gz YHHZYSYMIUJJIM-SECBINFHSA-N -1 1 369.374 0.635 10 0 FCAEMM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1nc[nH]c1Br ZINC000921614405 667144222 /nfs/dbraw/zinc/14/42/22/667144222.db2.gz VJDAYPDWBHYVAW-CSMHCCOUSA-N -1 1 352.210 0.254 10 0 FCAEMM CCO[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)CN(C)C ZINC000921636452 667161197 /nfs/dbraw/zinc/16/11/97/667161197.db2.gz OWIHSBXBQHCQED-MCMMXHMISA-N -1 1 363.505 0.944 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]CCCc2ncnn2C)c(C(F)(F)F)n1 ZINC000919528524 667183421 /nfs/dbraw/zinc/18/34/21/667183421.db2.gz KBZJFICWSUTOJM-UHFFFAOYSA-N -1 1 352.342 0.479 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)[C@H]1CN(C)CCN1C ZINC000919975156 667211492 /nfs/dbraw/zinc/21/14/92/667211492.db2.gz SXTNEOCBTPIBSQ-DCVWQXJKSA-N -1 1 354.542 0.351 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)[C@H]1CN(C)CCN1C ZINC000919982661 667214021 /nfs/dbraw/zinc/21/40/21/667214021.db2.gz VMDRFGBIIPFBSR-WXQIDZRNSA-N -1 1 374.532 0.612 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-]CC2CCC(S(C)(=O)=O)CC2)c1Cl ZINC000920811544 667257115 /nfs/dbraw/zinc/25/71/15/667257115.db2.gz VASHNAHHXLLILE-UHFFFAOYSA-N -1 1 369.896 0.955 10 0 FCAEMM COC(=O)Cn1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cn1 ZINC000921861070 667522534 /nfs/dbraw/zinc/52/25/34/667522534.db2.gz IGWKNIYZFTWKKC-GZMMTYOYSA-N -1 1 371.337 0.302 10 0 FCAEMM Cn1nnc2c1C[C@H]([N-]S(=O)(=O)c1ncccc1Br)CC2 ZINC000922040348 667572754 /nfs/dbraw/zinc/57/27/54/667572754.db2.gz ACAZTGIOMPLBBC-MRVPVSSYSA-N -1 1 372.248 0.808 10 0 FCAEMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000805138314 667721570 /nfs/dbraw/zinc/72/15/70/667721570.db2.gz QNFJPTXZOBGGJQ-JTQLQIEISA-N -1 1 351.327 0.792 10 0 FCAEMM Cn1[n-]c(COC(=O)c2cc(Br)cn(C3CC3)c2=O)nc1=O ZINC000923207736 667812500 /nfs/dbraw/zinc/81/25/00/667812500.db2.gz SKYFXTDJFISACW-UHFFFAOYSA-N -1 1 369.175 0.725 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)o1 ZINC000761246403 667883505 /nfs/dbraw/zinc/88/35/05/667883505.db2.gz NUKQXRFVLHZFFJ-RKDXNWHRSA-N -1 1 351.402 0.310 10 0 FCAEMM Cn1[n-]c(COC(=O)CNC(=O)c2cc3c(s2)CCCC3)nc1=O ZINC000765467623 668007558 /nfs/dbraw/zinc/00/75/58/668007558.db2.gz ZMZCCMODCJVJFT-UHFFFAOYSA-N -1 1 350.400 0.522 10 0 FCAEMM Cc1cnn(Cc2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)no2)c1 ZINC000773163259 668077689 /nfs/dbraw/zinc/07/76/89/668077689.db2.gz UNQYBKJFTZDKCF-GFCCVEGCSA-N -1 1 360.403 0.671 10 0 FCAEMM CNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000773165663 668077802 /nfs/dbraw/zinc/07/78/02/668077802.db2.gz YQYOMYAJLQAOJN-LLVKDONJSA-N -1 1 368.444 0.038 10 0 FCAEMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)c(=O)[nH]c1=O ZINC000769656313 668147047 /nfs/dbraw/zinc/14/70/47/668147047.db2.gz GXTMISIMHDVALG-RYUDHWBXSA-N -1 1 361.464 0.824 10 0 FCAEMM CCS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000776563253 668272051 /nfs/dbraw/zinc/27/20/51/668272051.db2.gz IDEHRVQOBMHVLM-LBPRGKRZSA-N -1 1 367.456 0.924 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)o1 ZINC000772927833 668336308 /nfs/dbraw/zinc/33/63/08/668336308.db2.gz VXGFDVQBGUHILL-MNOVXSKESA-N -1 1 373.431 0.784 10 0 FCAEMM COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000778299013 668359674 /nfs/dbraw/zinc/35/96/74/668359674.db2.gz QPPRCOAXCVOCBG-QMMMGPOBSA-N -1 1 361.372 0.644 10 0 FCAEMM O=C([N-]N1CN=NC1=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000782852050 668583748 /nfs/dbraw/zinc/58/37/48/668583748.db2.gz ZLFCJPRTRAUSSO-UHFFFAOYSA-N -1 1 354.120 0.461 10 0 FCAEMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000783260787 668607014 /nfs/dbraw/zinc/60/70/14/668607014.db2.gz ARZKVQAJYZJHBJ-APPZFPTMSA-N -1 1 363.338 0.519 10 0 FCAEMM Cc1n[nH]nc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000790069945 668871488 /nfs/dbraw/zinc/87/14/88/668871488.db2.gz GVTZVSPKGFJLDK-UHFFFAOYSA-N -1 1 367.387 0.092 10 0 FCAEMM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793202885 668915800 /nfs/dbraw/zinc/91/58/00/668915800.db2.gz CUOPBPXADGDUOW-UHFFFAOYSA-N -1 1 366.380 0.696 10 0 FCAEMM COc1cc(C)c([S@](C)=O)cc1OC(=O)CCn1cc[n-]c(=O)c1=O ZINC000819682347 669022630 /nfs/dbraw/zinc/02/26/30/669022630.db2.gz RBWQGMMLLQZFJA-VWLOTQADSA-N -1 1 366.395 0.587 10 0 FCAEMM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795802300 669062641 /nfs/dbraw/zinc/06/26/41/669062641.db2.gz AQTKEXJFOFGQOR-LURJTMIESA-N -1 1 352.771 0.679 10 0 FCAEMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795802302 669062710 /nfs/dbraw/zinc/06/27/10/669062710.db2.gz AQTKEXJFOFGQOR-ZCFIWIBFSA-N -1 1 352.771 0.679 10 0 FCAEMM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795853408 669065487 /nfs/dbraw/zinc/06/54/87/669065487.db2.gz QFPCPGGOFMUEOI-CYBMUJFWSA-N -1 1 369.798 0.941 10 0 FCAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)c(F)cc1Cl ZINC000795856688 669065495 /nfs/dbraw/zinc/06/54/95/669065495.db2.gz OUTIDAWJQJBXOD-LURJTMIESA-N -1 1 352.771 0.808 10 0 FCAEMM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795963586 669073511 /nfs/dbraw/zinc/07/35/11/669073511.db2.gz NYUDRGFKWUBDHE-SSDOTTSWSA-N -1 1 355.771 0.551 10 0 FCAEMM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867033266 669116318 /nfs/dbraw/zinc/11/63/18/669116318.db2.gz GPLOEJRJOOHBNX-YUMQZZPRSA-N -1 1 354.354 0.632 10 0 FCAEMM CO[C@@H](CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(F)(F)F ZINC000807029331 669461222 /nfs/dbraw/zinc/46/12/22/669461222.db2.gz CWKWSEFLBNLRAV-JTQLQIEISA-N -1 1 359.308 0.364 10 0 FCAEMM CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000826686478 669509185 /nfs/dbraw/zinc/50/91/85/669509185.db2.gz ROUHUFOWKNMGLW-ADEWGFFLSA-N -1 1 365.352 0.149 10 0 FCAEMM Cn1ccnc1[C@](O)(CC[N-]S(=O)(=O)c1cscn1)C(F)(F)F ZINC000827187684 669546719 /nfs/dbraw/zinc/54/67/19/669546719.db2.gz IYPTUBLNQVZHPQ-SNVBAGLBSA-N -1 1 370.378 0.995 10 0 FCAEMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)c1ccnn1C ZINC000828133269 669619004 /nfs/dbraw/zinc/61/90/04/669619004.db2.gz WHJTWCAEZNVCRY-ZDUSSCGKSA-N -1 1 353.404 0.146 10 0 FCAEMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(OC)n2)o1 ZINC000811080993 669728772 /nfs/dbraw/zinc/72/87/72/669728772.db2.gz QIFKXZZKZZJUOS-UHFFFAOYSA-N -1 1 354.340 0.631 10 0 FCAEMM CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830829362 669808692 /nfs/dbraw/zinc/80/86/92/669808692.db2.gz XPKOQCKMWWRDQK-BXKDBHETSA-N -1 1 353.366 0.577 10 0 FCAEMM CCOC(=O)C[C@H](O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000813634637 669845646 /nfs/dbraw/zinc/84/56/46/669845646.db2.gz CABHKIPOEKVZAM-GMOBBJLQSA-N -1 1 368.352 0.605 10 0 FCAEMM C[C@H]1CCN(C(=O)NC2COCCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000813818317 669855996 /nfs/dbraw/zinc/85/59/96/669855996.db2.gz RPKCSMWYTQTKIA-NHCYSSNCSA-N -1 1 367.368 0.889 10 0 FCAEMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)Cc1cn(C)nc1Cl ZINC000816013873 669935374 /nfs/dbraw/zinc/93/53/74/669935374.db2.gz FBVYBOMDVUQXRG-UHFFFAOYSA-N -1 1 350.766 0.441 10 0 FCAEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)[C@@H]1OC ZINC000867107088 669941656 /nfs/dbraw/zinc/94/16/56/669941656.db2.gz RKLAEPQQMKDGPH-XKSSXDPKSA-N -1 1 357.354 0.910 10 0 FCAEMM C[C@@H]1CN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCO1 ZINC000867145856 670017547 /nfs/dbraw/zinc/01/75/47/670017547.db2.gz JWVMEDWXMQLXQY-DMZKTXOQSA-N -1 1 361.489 0.698 10 0 FCAEMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCn1cc(Br)cn1 ZINC000867264229 670577141 /nfs/dbraw/zinc/57/71/41/670577141.db2.gz FBXVGHHJJOXABX-KRWDZBQOSA-N -1 1 359.271 0.598 10 0 FCAEMM O=C1C[C@H](S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)CN1C1CC1 ZINC000867274481 670611721 /nfs/dbraw/zinc/61/17/21/670611721.db2.gz HUXGKVGQZGBHJH-GHJWDPDVSA-N -1 1 352.412 0.164 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000843014007 670766226 /nfs/dbraw/zinc/76/62/26/670766226.db2.gz MEFBZKDIQGHSOD-NSHDSACASA-N -1 1 371.425 0.801 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCc2ccccc2C(N)=O)CCC1 ZINC000843014298 670766492 /nfs/dbraw/zinc/76/64/92/670766492.db2.gz NTXFFOSYVFJPMR-UHFFFAOYSA-N -1 1 367.471 0.648 10 0 FCAEMM Cc1nnc(COCC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)s1 ZINC000843014384 670766843 /nfs/dbraw/zinc/76/68/43/670766843.db2.gz PACFRGSNMUWSDA-UHFFFAOYSA-N -1 1 362.477 0.293 10 0 FCAEMM COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000843017016 670767399 /nfs/dbraw/zinc/76/73/99/670767399.db2.gz YJMIBUDFSGOBLT-CHWSQXEVSA-N -1 1 360.476 0.896 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)CCC1 ZINC000843018125 670767886 /nfs/dbraw/zinc/76/78/86/670767886.db2.gz GVLGGQHKEJXOLH-CYBMUJFWSA-N -1 1 373.519 0.954 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc(CNC(N)=O)cc2)CCC1 ZINC000843017522 670767901 /nfs/dbraw/zinc/76/79/01/670767901.db2.gz IADBHHTXDUFMAW-UHFFFAOYSA-N -1 1 368.459 0.399 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cn2ncc3ccccc32)CCC1 ZINC000843017597 670767992 /nfs/dbraw/zinc/76/79/92/670767992.db2.gz GBVMKBYVKLZXOH-UHFFFAOYSA-N -1 1 350.444 0.967 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cc2ccc3c(c2)OCCO3)CCC1 ZINC000843018730 670768640 /nfs/dbraw/zinc/76/86/40/670768640.db2.gz BAPWECBHEZTKRY-UHFFFAOYSA-N -1 1 368.455 0.931 10 0 FCAEMM C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843018583 670768702 /nfs/dbraw/zinc/76/87/02/670768702.db2.gz YZZYQOFKXIPDQQ-LLVKDONJSA-N -1 1 373.500 0.797 10 0 FCAEMM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843019591 670769307 /nfs/dbraw/zinc/76/93/07/670769307.db2.gz SJHMOEZZUZRVSI-ZIAGYGMSSA-N -1 1 362.492 0.891 10 0 FCAEMM NC(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843798532 670856630 /nfs/dbraw/zinc/85/66/30/670856630.db2.gz BUNYXXDTGZJZJB-UHFFFAOYSA-N -1 1 369.230 0.056 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)c1C(F)(F)F ZINC000867406299 671089025 /nfs/dbraw/zinc/08/90/25/671089025.db2.gz JKLMWZWYHJFROL-DTWKUNHWSA-N -1 1 357.354 0.505 10 0 FCAEMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c(C(F)(F)F)n1 ZINC000848514659 671283405 /nfs/dbraw/zinc/28/34/05/671283405.db2.gz QLDQTVHGCVCBJB-QMMMGPOBSA-N -1 1 368.337 0.700 10 0 FCAEMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N(C)CCCCO ZINC000848634587 671287419 /nfs/dbraw/zinc/28/74/19/671287419.db2.gz NLZKOFMOIHDBOH-GHMZBOCLSA-N -1 1 367.368 0.275 10 0 FCAEMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(C)(C)C ZINC000849381147 671332045 /nfs/dbraw/zinc/33/20/45/671332045.db2.gz NKPUECZTVWJPLG-FRRDWIJNSA-N -1 1 351.465 0.935 10 0 FCAEMM COC(=O)CCN1CCC[C@@H](OC(=O)c2ccc(C(=O)OC)[n-]2)C1=O ZINC000849782417 671363150 /nfs/dbraw/zinc/36/31/50/671363150.db2.gz YNMFUCRDAHZNAX-GFCCVEGCSA-N -1 1 352.343 0.512 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2c(C(F)(F)F)cnn2C)CCC1 ZINC000851105143 671428462 /nfs/dbraw/zinc/42/84/62/671428462.db2.gz OFTUXTRLGHRARE-UHFFFAOYSA-N -1 1 368.381 0.983 10 0 FCAEMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000851697272 671458714 /nfs/dbraw/zinc/45/87/14/671458714.db2.gz JOZRVUGXENPAAC-VYUIOLGVSA-N -1 1 352.309 0.249 10 0 FCAEMM CNS(=O)(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851835812 671472669 /nfs/dbraw/zinc/47/26/69/671472669.db2.gz BHURYQPYFJERFT-VXGBXAGGSA-N -1 1 365.377 0.987 10 0 FCAEMM CCON(C)C(=O)CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852399779 671505124 /nfs/dbraw/zinc/50/51/24/671505124.db2.gz UMQGEDHANIFANN-ZJUUUORDSA-N -1 1 368.356 0.495 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@H]2CCNC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000852409498 671505753 /nfs/dbraw/zinc/50/57/53/671505753.db2.gz QZDYKOUNNMSZSF-XKNYDFJKSA-N -1 1 350.341 0.362 10 0 FCAEMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1nnnn1C1CC1 ZINC000852734359 671520697 /nfs/dbraw/zinc/52/06/97/671520697.db2.gz AFGWNVJIFQUKCZ-PSASIEDQSA-N -1 1 362.312 0.104 10 0 FCAEMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCN1CCCC1=O ZINC000852735406 671521440 /nfs/dbraw/zinc/52/14/40/671521440.db2.gz HQTCUQYFBWUXCO-KOLCDFICSA-N -1 1 351.325 0.205 10 0 FCAEMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CCN1CCCC1=O ZINC000852735406 671521441 /nfs/dbraw/zinc/52/14/41/671521441.db2.gz HQTCUQYFBWUXCO-KOLCDFICSA-N -1 1 351.325 0.205 10 0 FCAEMM Cn1ccnc1COCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526717 671582131 /nfs/dbraw/zinc/58/21/31/671582131.db2.gz OECMIJDNPKCGOS-NSHDSACASA-N -1 1 362.352 0.854 10 0 FCAEMM O=C(NCCS(=O)(=O)CC(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000855579814 671653569 /nfs/dbraw/zinc/65/35/69/671653569.db2.gz VZUXAHSPPVNZIU-UHFFFAOYSA-N -1 1 368.362 0.725 10 0 FCAEMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CO ZINC000855748276 671662794 /nfs/dbraw/zinc/66/27/94/671662794.db2.gz HONBEMCYDHNXRI-WCBMZHEXSA-N -1 1 354.325 0.359 10 0 FCAEMM CCCN1C(=O)CC[C@@H](C(=O)[N-]OC(C)(C)CO)[C@@H]1c1cncn1C ZINC000857284435 671723346 /nfs/dbraw/zinc/72/33/46/671723346.db2.gz LHQLBMXXFARCGD-IUODEOHRSA-N -1 1 352.435 0.929 10 0 FCAEMM CCC[C@H](NC(=O)c1c(Br)nc2n1CCOC2)c1nn[n-]n1 ZINC000857713363 671733709 /nfs/dbraw/zinc/73/37/09/671733709.db2.gz HURKCEPCZLAUDY-ZETCQYMHSA-N -1 1 370.211 0.960 10 0 FCAEMM C[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000858770274 671775878 /nfs/dbraw/zinc/77/58/78/671775878.db2.gz QUQKFQLOQSPOSU-QHZLYTNSSA-N -1 1 364.368 0.737 10 0 FCAEMM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)nc2F)C1=O ZINC000859051655 671790976 /nfs/dbraw/zinc/79/09/76/671790976.db2.gz JBMNRISAEZYNDI-SSDOTTSWSA-N -1 1 366.212 0.882 10 0 FCAEMM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859095516 671793487 /nfs/dbraw/zinc/79/34/87/671793487.db2.gz SDMOMRBQUKYMHB-UHFFFAOYSA-N -1 1 365.188 0.028 10 0 FCAEMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859138919 671795946 /nfs/dbraw/zinc/79/59/46/671795946.db2.gz OSUORKGRLBTBPX-WRWORJQWSA-N -1 1 369.212 0.801 10 0 FCAEMM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)N(CC)OCC)on1 ZINC000859272473 671806826 /nfs/dbraw/zinc/80/68/26/671806826.db2.gz RSGQZHRLHFKEGK-UHFFFAOYSA-N -1 1 363.392 0.071 10 0 FCAEMM C[C@@H](CN(C)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1nn[nH]n1 ZINC000860786027 671916409 /nfs/dbraw/zinc/91/64/09/671916409.db2.gz RHYJHCOIUBVTHY-ZETCQYMHSA-N -1 1 360.296 0.847 10 0 FCAEMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cn2ccc(C(F)F)n2)CCC1 ZINC000860846543 671921233 /nfs/dbraw/zinc/92/12/33/671921233.db2.gz AOYIWDFTNWBWEP-UHFFFAOYSA-N -1 1 350.391 0.751 10 0 FCAEMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)O1 ZINC000861771122 671994004 /nfs/dbraw/zinc/99/40/04/671994004.db2.gz FIRIZKMPIRFHKV-MXWKQRLJSA-N -1 1 366.336 0.624 10 0 FCAEMM C[Si](C)(C)c1ccc(CCNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000862840683 672081752 /nfs/dbraw/zinc/08/17/52/672081752.db2.gz OIZZVCXDRIRANL-UHFFFAOYSA-N -1 1 359.502 0.831 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000866441692 672274072 /nfs/dbraw/zinc/27/40/72/672274072.db2.gz RIQLAQXSINFQQC-SMDDFHAHSA-N -1 1 355.526 0.826 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-]CCCN2CCCC2=O)c1C(F)(F)F ZINC000866440922 672274103 /nfs/dbraw/zinc/27/41/03/672274103.db2.gz SBEIKSGUXIEPLQ-UHFFFAOYSA-N -1 1 354.354 0.730 10 0 FCAEMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866558331 672282299 /nfs/dbraw/zinc/28/22/99/672282299.db2.gz ZTWOVADJDYVWIX-VERVWZFWSA-N -1 1 359.473 0.989 10 0 FCAEMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H](C)N1CCOCC1 ZINC000866741351 672295593 /nfs/dbraw/zinc/29/55/93/672295593.db2.gz DWIWWDXVAFDFMU-UWVGGRQHSA-N -1 1 370.397 0.826 10 0 FCAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](CO)Cc1ccc(F)cc1 ZINC000866833596 672315938 /nfs/dbraw/zinc/31/59/38/672315938.db2.gz OVMKTCCYGSKSSN-XUSGNXJCSA-N -1 1 352.453 0.929 10 0 FCAEMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c1C(F)(F)F ZINC000867569568 672339402 /nfs/dbraw/zinc/33/94/02/672339402.db2.gz OJUDRCRBQVIYEC-VIFPVBQESA-N -1 1 366.365 0.871 10 0 FCAEMM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3c(F)cccc3Cl)COCCN12 ZINC000867749291 672362816 /nfs/dbraw/zinc/36/28/16/672362816.db2.gz MERNDFAVPLUECG-CYBMUJFWSA-N -1 1 364.782 0.979 10 0 FCAEMM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000867761265 672364372 /nfs/dbraw/zinc/36/43/72/672364372.db2.gz ZLJKQRFEIOQXNF-ZIAGYGMSSA-N -1 1 358.460 0.957 10 0 FCAEMM COC[C@@H](CCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)OC ZINC000868762400 672409698 /nfs/dbraw/zinc/40/96/98/672409698.db2.gz ZKODKJDAVKDETD-MFKMUULPSA-N -1 1 355.357 0.890 10 0 FCAEMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)Cc1cnn2c1CCCC2 ZINC000869589341 672442140 /nfs/dbraw/zinc/44/21/40/672442140.db2.gz PZRNZCVYSXMAHB-UHFFFAOYSA-N -1 1 361.320 0.943 10 0 FCAEMM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000869993277 672459973 /nfs/dbraw/zinc/45/99/73/672459973.db2.gz ZSPWERXVIHBGIO-BONVTDFDSA-N -1 1 350.400 0.811 10 0 FCAEMM C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(I)cc1[O-] ZINC000871122714 672529594 /nfs/dbraw/zinc/52/95/94/672529594.db2.gz KBGTTXCMQKUIID-LDWIPMOCSA-N -1 1 351.140 0.468 10 0 FCAEMM COC[C@]1(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CNCCO1 ZINC000871669891 672566061 /nfs/dbraw/zinc/56/60/61/672566061.db2.gz ZUZFUJKSQBZGDI-YJBOKZPZSA-N -1 1 350.415 0.584 10 0 FCAEMM COC(C)(C)CS(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871996551 672591573 /nfs/dbraw/zinc/59/15/73/672591573.db2.gz KHGFMVBGVKRVLM-AWEZNQCLSA-N -1 1 358.460 0.916 10 0 FCAEMM C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)[O-] ZINC000871997198 672592178 /nfs/dbraw/zinc/59/21/78/672592178.db2.gz PRGIEJBUZVUXNZ-QEJZJMRPSA-N -1 1 356.444 0.668 10 0 FCAEMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1Cl ZINC000800197524 673422307 /nfs/dbraw/zinc/42/23/07/673422307.db2.gz JLYIDMBNMHHOGE-RKDXNWHRSA-N -1 1 370.884 0.070 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)CCOC1 ZINC000886096616 673557881 /nfs/dbraw/zinc/55/78/81/673557881.db2.gz GKFDUDUQGPDWIV-OAHLLOKOSA-N -1 1 356.810 0.315 10 0 FCAEMM CC(C)(CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)CS(C)(=O)=O ZINC000926744945 673841170 /nfs/dbraw/zinc/84/11/70/673841170.db2.gz BOMIZDBVHJWMAG-UHFFFAOYSA-N -1 1 373.397 0.377 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3ccn(C)n3)CC2)co1 ZINC000928208710 673904684 /nfs/dbraw/zinc/90/46/84/673904684.db2.gz FTEHOIXTPDOQDE-UHFFFAOYSA-N -1 1 352.416 0.941 10 0 FCAEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1COC2 ZINC000937198883 1187576480 /nfs/dbraw/zinc/57/64/80/1187576480.db2.gz FDRQRQSCKFVGBQ-LRBFIZQNSA-N -1 1 370.409 0.521 10 0 FCAEMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001482389151 1188392839 /nfs/dbraw/zinc/39/28/39/1188392839.db2.gz KXFKKIODJJMROD-GUTXKFCHSA-N -1 1 351.451 0.946 10 0 FCAEMM CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000529851059 1190844349 /nfs/dbraw/zinc/84/43/49/1190844349.db2.gz JBVMKMVCAHCICX-KDOFPFPSSA-N -1 1 364.446 0.944 10 0 FCAEMM CN(C)C(=O)CN1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000899974756 1194229170 /nfs/dbraw/zinc/22/91/70/1194229170.db2.gz GTQLNGKPJHYVIS-UHFFFAOYSA-N -1 1 360.389 0.926 10 0 FCAEMM O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000910686535 1195833534 /nfs/dbraw/zinc/83/35/34/1195833534.db2.gz CVDRCTRLNRPQDI-WBVHZDCISA-N -1 1 371.441 0.212 10 0 FCAEMM COc1cccc(N2CCC[C@@H](NC(=O)CCn3cc[n-]c(=O)c3=O)C2)c1 ZINC000735276266 1197841394 /nfs/dbraw/zinc/84/13/94/1197841394.db2.gz VFIWSODRJYOEMR-CQSZACIVSA-N -1 1 372.425 0.721 10 0 FCAEMM COCCN1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NN2c2ccccc2)CC1 ZINC000738064831 1197991506 /nfs/dbraw/zinc/99/15/06/1197991506.db2.gz OPWCTSMOWDBCFG-QGZVFWFLSA-N -1 1 374.441 0.887 10 0 FCAEMM CCOC(=O)[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742111614 1198146330 /nfs/dbraw/zinc/14/63/30/1198146330.db2.gz UXBLTOKFVGIOHE-CQSZACIVSA-N -1 1 359.382 0.390 10 0 FCAEMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747382119 1202813647 /nfs/dbraw/zinc/81/36/47/1202813647.db2.gz LVQWXTKGAJZUTR-NSHDSACASA-N -1 1 363.418 0.081 10 0 FCAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)nc2n1 ZINC000813377455 1202994288 /nfs/dbraw/zinc/99/42/88/1202994288.db2.gz GAXFRKUIQVJPFW-GFCCVEGCSA-N -1 1 356.317 0.997 10 0 FCAEMM Cc1sc2ncn(NC(=O)CNC(=O)c3ncccc3[O-])c(=O)c2c1C ZINC001135883426 1203101301 /nfs/dbraw/zinc/10/13/01/1203101301.db2.gz LEVNEKAWKJOFSK-UHFFFAOYSA-N -1 1 373.394 0.676 10 0 FCAEMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCc1nn[n-]n1 ZINC001136719648 1203257764 /nfs/dbraw/zinc/25/77/64/1203257764.db2.gz LDVPTHCBYQWQOV-UHFFFAOYSA-N -1 1 367.454 0.143 10 0 FCAEMM CCN(OC)C(=O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000844070550 1203333728 /nfs/dbraw/zinc/33/37/28/1203333728.db2.gz OKKIECKCSYBGSX-UHFFFAOYSA-N -1 1 359.386 0.209 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001143928111 1204399184 /nfs/dbraw/zinc/39/91/84/1204399184.db2.gz OXPLMEVPNLDHAF-SNVBAGLBSA-N -1 1 369.385 0.394 10 0 FCAEMM C[C@@H](CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ncccc1[O-] ZINC001487493211 1204540672 /nfs/dbraw/zinc/54/06/72/1204540672.db2.gz VKZBCMCJKQNPCJ-XQQFMLRXSA-N -1 1 362.430 0.704 10 0 FCAEMM Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000846481667 1204631822 /nfs/dbraw/zinc/63/18/22/1204631822.db2.gz LYVSKCFGYKWZEU-HNNXBMFYSA-N -1 1 367.409 0.760 10 0 FCAEMM O=C(COCCNC(=O)c1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC001174942076 1206298209 /nfs/dbraw/zinc/29/82/09/1206298209.db2.gz ZVCWDUPZZFFHDE-UHFFFAOYSA-N -1 1 358.402 0.352 10 0 FCAEMM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001175553043 1206305952 /nfs/dbraw/zinc/30/59/52/1206305952.db2.gz SPRNWMMIHJTWHN-UGMNDJHYSA-N -1 1 369.364 0.648 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC001176593200 1206315262 /nfs/dbraw/zinc/31/52/62/1206315262.db2.gz DOHDTCNFGCXSJD-LBPRGKRZSA-N -1 1 358.402 0.998 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CCCc2cccnc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489297878 1208729532 /nfs/dbraw/zinc/72/95/32/1208729532.db2.gz BWTSWQYYDPJDKW-HIFRSBDPSA-N -1 1 358.446 0.605 10 0 FCAEMM O=C(NCC(F)F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001489690424 1209089162 /nfs/dbraw/zinc/08/91/62/1209089162.db2.gz HMHJFRIXMWNCSH-NXEZZACHSA-N -1 1 370.356 0.326 10 0 FCAEMM C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H]1CC ZINC001489991270 1209199203 /nfs/dbraw/zinc/19/92/03/1209199203.db2.gz JYXOXWXYUSLXLY-DESOLJLISA-N -1 1 364.402 0.972 10 0 FCAEMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001490107321 1209234350 /nfs/dbraw/zinc/23/43/50/1209234350.db2.gz BCJADBRILFCUNB-AGIUHOORSA-N -1 1 362.430 0.654 10 0 FCAEMM CC(C)[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1C ZINC001490134579 1209263738 /nfs/dbraw/zinc/26/37/38/1209263738.db2.gz MVXKCBFGQOGCCO-MJBXVCDLSA-N -1 1 364.446 0.324 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)NCCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001490475112 1209356359 /nfs/dbraw/zinc/35/63/59/1209356359.db2.gz PABSVYWOFFVHBA-HUUCEWRRSA-N -1 1 364.494 0.816 10 0 FCAEMM CNC(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)CCC1 ZINC001490783188 1209430402 /nfs/dbraw/zinc/43/04/02/1209430402.db2.gz HXUSKMCHQYVRIF-UPJWGTAASA-N -1 1 372.425 0.565 10 0 FCAEMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000851703279 1209516817 /nfs/dbraw/zinc/51/68/17/1209516817.db2.gz OUKSMBMLXNGGME-ONGXEEELSA-N -1 1 374.319 0.635 10 0 FCAEMM O=C([N-]OCCN1CCCC1=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000856038975 1209692164 /nfs/dbraw/zinc/69/21/64/1209692164.db2.gz OKWHEXLJFFNSME-LLVKDONJSA-N -1 1 367.352 0.988 10 0 FCAEMM C[C@H](CN(C)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1nn[n-]n1 ZINC000860785626 1209855621 /nfs/dbraw/zinc/85/56/21/1209855621.db2.gz DMTPMUORKQNQIL-GFCCVEGCSA-N -1 1 374.401 0.145 10 0 FCAEMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC(C)(C)C(=O)N3CCCC3)ccnc1-2 ZINC000862107560 1209896637 /nfs/dbraw/zinc/89/66/37/1209896637.db2.gz LYADQVNFJPQMJR-UHFFFAOYSA-N -1 1 372.429 0.045 10 0 FCAEMM CO[C@H]1CCn2cc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3)nc2C1 ZINC000869837844 1210096858 /nfs/dbraw/zinc/09/68/58/1210096858.db2.gz RMECKIREDQVAKD-ZDUSSCGKSA-N -1 1 357.366 0.958 10 0 FCAEMM CC(=O)N1CCC(NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000929240626 1211624856 /nfs/dbraw/zinc/62/48/56/1211624856.db2.gz PMWIDLAHYYKUAY-UHFFFAOYSA-N -1 1 369.368 0.456 10 0 FCAEMM COC[C@@H](NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F)[C@@H]1CCCO1 ZINC000930520149 1211711738 /nfs/dbraw/zinc/71/17/38/1211711738.db2.gz OOGPRAPDYBKRCL-CABCVRRESA-N -1 1 372.368 0.639 10 0 FCAEMM O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NN1CC(=O)[N-]C1=O ZINC000752693100 1220080126 /nfs/dbraw/zinc/08/01/26/1220080126.db2.gz CJYUWHPQQDAGSK-UHFFFAOYSA-N -1 1 352.350 0.666 10 0 FCAEMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC000798148763 1221280580 /nfs/dbraw/zinc/28/05/80/1221280580.db2.gz QFBOEJDUCVLVAZ-BXUZGUMPSA-N -1 1 370.413 0.918 10 0 FCAEMM Cc1ccc(N2C[C@@H](C(=O)N3CCC(O)(c4nn[n-]n4)CC3)CC2=O)cc1 ZINC000798148898 1221280770 /nfs/dbraw/zinc/28/07/70/1221280770.db2.gz WWROHPUNRRWZEG-ZDUSSCGKSA-N -1 1 370.413 0.371 10 0 FCAEMM CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001119644510 1221944159 /nfs/dbraw/zinc/94/41/59/1221944159.db2.gz ZHYQJLYPVOEIIJ-HOTGVXAUSA-N -1 1 368.478 0.288 10 0 FCAEMM C[C@H](CN(C)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)c1nn[n-]n1 ZINC001138057873 1222476514 /nfs/dbraw/zinc/47/65/14/1222476514.db2.gz RFALXMHCYCKVGU-MRVPVSSYSA-N -1 1 373.339 0.750 10 0 FCAEMM CN(CCCNC(=O)CNC(=O)c1ncccc1[O-])C(=O)OC(C)(C)C ZINC001141894853 1222792472 /nfs/dbraw/zinc/79/24/72/1222792472.db2.gz YLNMHWFJQSNMKG-UHFFFAOYSA-N -1 1 366.418 0.890 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000922455067 1245678734 /nfs/dbraw/zinc/67/87/34/1245678734.db2.gz BRUIPEKUEFNERC-SJKOYZFVSA-N -1 1 357.414 0.721 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)CSC)C1 ZINC001515106690 1265431487 /nfs/dbraw/zinc/43/14/87/1265431487.db2.gz NVSUXNMCJZJVIO-DTWKUNHWSA-N -1 1 370.431 0.274 10 0 FCAEMM O=C1CC[C@@H]2CN(c3nnc(-c4nc(Cl)n[n-]4)n3CC3CC3)CCN12 ZINC001519586115 1265735501 /nfs/dbraw/zinc/73/55/01/1265735501.db2.gz COGHRALHZAJRPX-SNVBAGLBSA-N -1 1 362.825 0.938 10 0 FCAEMM CC[C@@H]1[C@@H](NC(=O)C2(C(=O)NC)CC2)CCN1C(=O)c1ncccc1[O-] ZINC001519921080 1265801865 /nfs/dbraw/zinc/80/18/65/1265801865.db2.gz QNICPLXHTOBXCI-NWDGAFQWSA-N -1 1 360.414 0.423 10 0 FCAEMM O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001235542205 1259575948 /nfs/dbraw/zinc/57/59/48/1259575948.db2.gz AXWIIBLBEYERLH-ZDUSSCGKSA-N -1 1 361.402 0.208 10 0 FCAEMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)CCOC1 ZINC001335428428 1259660041 /nfs/dbraw/zinc/66/00/41/1259660041.db2.gz DXJNXEBAPSSDFH-MAUKXSAKSA-N -1 1 366.389 0.637 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001521988568 1266279516 /nfs/dbraw/zinc/27/95/16/1266279516.db2.gz RROWFGDQKGOXCO-VXGBXAGGSA-N -1 1 358.402 0.444 10 0 FCAEMM COC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001521988780 1266280082 /nfs/dbraw/zinc/28/00/82/1266280082.db2.gz VCKPPKFPTIFNLU-VXGBXAGGSA-N -1 1 364.402 0.358 10 0 FCAEMM Cc1n[nH]c(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)c1[O-] ZINC001521986631 1266278578 /nfs/dbraw/zinc/27/85/78/1266278578.db2.gz DWKYGOWUOJQISP-BNOWGMLFSA-N -1 1 363.462 0.732 10 0 FCAEMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001331807600 1266290442 /nfs/dbraw/zinc/29/04/42/1266290442.db2.gz OPWSONLHSYNVGT-GJZGRUSLSA-N -1 1 358.398 0.339 10 0 FCAEMM COc1ccc([C@@H](O)CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001254490791 1259887959 /nfs/dbraw/zinc/88/79/59/1259887959.db2.gz YVVTWGZSPJVIMA-HNNXBMFYSA-N -1 1 374.397 0.796 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC(O)(c2ccccc2)C1 ZINC001254496783 1259888394 /nfs/dbraw/zinc/88/83/94/1259888394.db2.gz KYKPDJJETGOTME-UHFFFAOYSA-N -1 1 356.382 0.668 10 0 FCAEMM Cn1ncc2c1CCCN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)C2 ZINC001254497247 1259888479 /nfs/dbraw/zinc/88/84/79/1259888479.db2.gz SEJMNOKNWVJGNN-UHFFFAOYSA-N -1 1 358.402 0.646 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N(C)CCOCCNC(=O)c1ncccc1[O-] ZINC001336576375 1260176181 /nfs/dbraw/zinc/17/61/81/1260176181.db2.gz GZJFFNJDGLKENG-HIFRSBDPSA-N -1 1 365.430 0.807 10 0 FCAEMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001337446462 1260403039 /nfs/dbraw/zinc/40/30/39/1260403039.db2.gz OVZDYKWDCYYUGP-QJPTWQEYSA-N -1 1 360.418 0.431 10 0 FCAEMM COc1cc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1O ZINC001332147816 1266344173 /nfs/dbraw/zinc/34/41/73/1266344173.db2.gz IKQGEOHTBDXSNE-SFHVURJKSA-N -1 1 364.398 0.331 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001522107628 1266344543 /nfs/dbraw/zinc/34/45/43/1266344543.db2.gz LJGLQIRVRIGTIE-VWYCJHECSA-N -1 1 362.386 0.724 10 0 FCAEMM CN1CCN(c2cc(CNC(=O)N[C@](C)(CCF)C(=O)[O-])ccn2)CC1 ZINC001332160354 1266346909 /nfs/dbraw/zinc/34/69/09/1266346909.db2.gz OSGKIXYXSAVFPI-QGZVFWFLSA-N -1 1 367.425 0.836 10 0 FCAEMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001279510196 1260882087 /nfs/dbraw/zinc/88/20/87/1260882087.db2.gz WVKCSQHMEWRBEE-HBUWYVDXSA-N -1 1 365.478 0.234 10 0 FCAEMM CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001282155862 1261359997 /nfs/dbraw/zinc/35/99/97/1261359997.db2.gz HSMNHULHEPIXFP-WDEREUQCSA-N -1 1 360.418 0.478 10 0 FCAEMM COC(=O)CCCO[N-]C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001472107392 1261437537 /nfs/dbraw/zinc/43/75/37/1261437537.db2.gz AFLNFHRFWFBHMZ-NWDGAFQWSA-N -1 1 362.423 0.851 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001282402720 1261445371 /nfs/dbraw/zinc/44/53/71/1261445371.db2.gz QFMNACFIWSANII-XNJGSVPQSA-N -1 1 361.446 0.774 10 0 FCAEMM C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001282536524 1261513814 /nfs/dbraw/zinc/51/38/14/1261513814.db2.gz OUWLJABHHNVEMV-UKRRQHHQSA-N -1 1 370.409 0.949 10 0 FCAEMM CC1CCN(C(=O)C2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)CC1 ZINC001345284049 1261665309 /nfs/dbraw/zinc/66/53/09/1261665309.db2.gz NGJHWEQBOGIHGY-UHFFFAOYSA-N -1 1 359.438 0.470 10 0 FCAEMM CC1CCN(C(=O)C2CCN(c3nnc(-c4nn[n-]n4)n3C)CC2)CC1 ZINC001345284049 1261665316 /nfs/dbraw/zinc/66/53/16/1261665316.db2.gz NGJHWEQBOGIHGY-UHFFFAOYSA-N -1 1 359.438 0.470 10 0 FCAEMM C=C/C(C)=C\CC(=O)N[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]1C ZINC001345556042 1261738295 /nfs/dbraw/zinc/73/82/95/1261738295.db2.gz XEKVAIIYWCKCSE-JUPNIWIKSA-N -1 1 370.413 0.659 10 0 FCAEMM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001287785990 1261975620 /nfs/dbraw/zinc/97/56/20/1261975620.db2.gz HSNAZHMTLKTENG-RWMBFGLXSA-N -1 1 360.414 0.313 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001288142595 1262006879 /nfs/dbraw/zinc/00/68/79/1262006879.db2.gz TUTAUQXCNQHEMU-WWGRRREGSA-N -1 1 365.430 0.494 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)[C@H]1CCNC1=O ZINC001291655748 1262574214 /nfs/dbraw/zinc/57/42/14/1262574214.db2.gz PIODURYDJBHZOK-JHJVBQTASA-N -1 1 360.414 0.138 10 0 FCAEMM CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001291965526 1262622432 /nfs/dbraw/zinc/62/24/32/1262622432.db2.gz TXZDGYGYUWQCNU-KATARQTJSA-N -1 1 368.365 0.506 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001294102921 1262726415 /nfs/dbraw/zinc/72/64/15/1262726415.db2.gz BPBLMARINSXOLQ-WDEREUQCSA-N -1 1 364.402 0.521 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001295592319 1262772546 /nfs/dbraw/zinc/77/25/46/1262772546.db2.gz RGFKRYBPXAUOCY-MYFIVHGGSA-N -1 1 362.430 0.885 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCCN(c2ncccc2F)CC1 ZINC001296679167 1262831223 /nfs/dbraw/zinc/83/12/23/1262831223.db2.gz JCTMAGAHIODPTL-UHFFFAOYSA-N -1 1 373.388 0.790 10 0 FCAEMM COc1cc(COCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)ccn1 ZINC001302841615 1263061793 /nfs/dbraw/zinc/06/17/93/1263061793.db2.gz FMCYOAOMNNFRCH-UHFFFAOYSA-N -1 1 360.370 0.492 10 0 FCAEMM COC(=O)COc1cccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001302841454 1263061866 /nfs/dbraw/zinc/06/18/66/1263061866.db2.gz CRGIVGFFDMCETG-UHFFFAOYSA-N -1 1 373.365 0.737 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc2c(c1)NC(=O)CO2 ZINC001302841395 1263062205 /nfs/dbraw/zinc/06/22/05/1263062205.db2.gz AYBWXKSMULVFOI-UHFFFAOYSA-N -1 1 356.338 0.516 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001478328897 1263129798 /nfs/dbraw/zinc/12/97/98/1263129798.db2.gz PRMYJJCKNOZXEV-PIGZYNQJSA-N -1 1 364.402 0.392 10 0 FCAEMM COCC[C@@]1(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001479156448 1263173099 /nfs/dbraw/zinc/17/30/99/1263173099.db2.gz JBVVWGWLIZTOIJ-MRXNPFEDSA-N -1 1 352.391 0.250 10 0 FCAEMM Cc1nnc(CN(C)C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)s1 ZINC001479156794 1263173846 /nfs/dbraw/zinc/17/38/46/1263173846.db2.gz LQXSZAUZSQKVHT-UHFFFAOYSA-N -1 1 350.404 0.756 10 0 FCAEMM C[C@@]1(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCC[C@H]1O ZINC001479158021 1263173851 /nfs/dbraw/zinc/17/38/51/1263173851.db2.gz QTUZZMJCBZFHEL-DYVFJYSZSA-N -1 1 350.419 0.995 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](O)C1CCCCC1 ZINC001479159160 1263174107 /nfs/dbraw/zinc/17/41/07/1263174107.db2.gz XBKZKQUBKYXNGT-CQSZACIVSA-N -1 1 350.419 0.995 10 0 FCAEMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001494852012 1263789136 /nfs/dbraw/zinc/78/91/36/1263789136.db2.gz IFJZMYQQTJWHAO-APIJFGDWSA-N -1 1 374.441 0.150 10 0 FCAEMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)n1 ZINC001320814814 1263864948 /nfs/dbraw/zinc/86/49/48/1263864948.db2.gz YEDZPLWACZSGON-UHFFFAOYSA-N -1 1 374.401 0.701 10 0 FCAEMM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC001320981413 1263891680 /nfs/dbraw/zinc/89/16/80/1263891680.db2.gz LDGRFBMZPQKPBV-FZKQIMNGSA-N -1 1 357.366 0.229 10 0 FCAEMM CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001507027314 1264350527 /nfs/dbraw/zinc/35/05/27/1264350527.db2.gz IQSBWPPGVWORRA-UPJWGTAASA-N -1 1 359.434 0.374 10 0 FCAEMM CC(C)CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001512984602 1264794516 /nfs/dbraw/zinc/79/45/16/1264794516.db2.gz QTOKFOWMOWPUQU-UMVBOHGHSA-N -1 1 365.430 0.540 10 0 FCAEMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H](N[C@H]2CCC(=O)N(C)C2)C1=O ZINC001326938711 1265204147 /nfs/dbraw/zinc/20/41/47/1265204147.db2.gz WAHDLDGLVHTLJQ-QWHCGFSZSA-N -1 1 359.382 0.536 10 0 FCAEMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001327444503 1265323133 /nfs/dbraw/zinc/32/31/33/1265323133.db2.gz IVJHWTSJZJACGC-LBPRGKRZSA-N -1 1 364.402 0.191 10 0 FCAEMM CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001514432945 1265352131 /nfs/dbraw/zinc/35/21/31/1265352131.db2.gz BZRXRNNVQAVGIP-CHWSQXEVSA-N -1 1 364.446 0.516 10 0 FCAEMM CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001332981033 1266515723 /nfs/dbraw/zinc/51/57/23/1266515723.db2.gz PUBCAYOTLPTYBV-SNVBAGLBSA-N -1 1 369.368 0.456 10 0 FCAEMM O=C([O-])CN1CC[C@@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1=O ZINC001333621710 1266654286 /nfs/dbraw/zinc/65/42/86/1266654286.db2.gz DNVRLBVGMZWUNN-OAHLLOKOSA-N -1 1 351.447 0.833 10 0 FCAEMM CN(c1nnc(-c2nnn[n-]2)n1C[C@H]1CCCCO1)[C@@H]1CCSC1 ZINC001526379096 1266806105 /nfs/dbraw/zinc/80/61/05/1266806105.db2.gz TYDAFYBYVRVVSY-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM CN(c1nnc(-c2nn[n-]n2)n1C[C@H]1CCCCO1)[C@@H]1CCSC1 ZINC001526379096 1266806117 /nfs/dbraw/zinc/80/61/17/1266806117.db2.gz TYDAFYBYVRVVSY-GHMZBOCLSA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H]1CSCCN1c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCCCO1 ZINC001526378404 1266806402 /nfs/dbraw/zinc/80/64/02/1266806402.db2.gz LVWZYWUHUHJMDF-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM C[C@@H]1CSCCN1c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCCCO1 ZINC001526378404 1266806411 /nfs/dbraw/zinc/80/64/11/1266806411.db2.gz LVWZYWUHUHJMDF-MNOVXSKESA-N -1 1 350.452 0.969 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001527799411 1266926218 /nfs/dbraw/zinc/92/62/18/1266926218.db2.gz PNJNWQTZDDVBTL-OPRDCNLKSA-N -1 1 352.391 0.567 10 0 FCAEMM O=C(c1nn2c(c1Br)CCC2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001528713877 1266991735 /nfs/dbraw/zinc/99/17/35/1266991735.db2.gz WPLPXOWLZXUTTD-ZETCQYMHSA-N -1 1 352.196 0.735 10 0 FCAEMM Cn1nc(Br)cc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001528877937 1267003930 /nfs/dbraw/zinc/00/39/30/1267003930.db2.gz CWYOINITRSHTPC-MRVPVSSYSA-N -1 1 354.212 0.791 10 0 FCAEMM CCOc1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc(Cl)c1[O-] ZINC001529084596 1267025003 /nfs/dbraw/zinc/02/50/03/1267025003.db2.gz QXMMNJDHJJRWIR-KRWDZBQOSA-N -1 1 370.833 0.963 10 0 FCAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001536614190 1267332862 /nfs/dbraw/zinc/33/28/62/1267332862.db2.gz RIZNNNXCURPQFO-LBPRGKRZSA-N -1 1 366.443 0.678 10 0 FCAEMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001542086730 1267488923 /nfs/dbraw/zinc/48/89/23/1267488923.db2.gz LSZJFDWZTGRTDX-NSHDSACASA-N -1 1 369.472 0.562 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC001542421517 1267496789 /nfs/dbraw/zinc/49/67/89/1267496789.db2.gz JFJSTRGVBCRULP-UHFFFAOYSA-N -1 1 368.393 0.969 10 0 FCAEMM Cc1cnn(-c2cc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c(N)cc2F)c1 ZINC001542946069 1267515622 /nfs/dbraw/zinc/51/56/22/1267515622.db2.gz GEPURHCLDSCRSR-CQSZACIVSA-N -1 1 372.364 0.629 10 0 FCAEMM COc1ccc(NC(=O)CC2CS(=O)(=O)C2)cc1[N-]S(C)(=O)=O ZINC001543121730 1267525928 /nfs/dbraw/zinc/52/59/28/1267525928.db2.gz MYQQUCPQPCXWOJ-UHFFFAOYSA-N -1 1 362.429 0.440 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])NCc1nc(Cc2ccccc2)no1 ZINC001544214609 1267572656 /nfs/dbraw/zinc/57/26/56/1267572656.db2.gz BJGIOHKBZRBWSQ-UHFFFAOYSA-N -1 1 367.365 0.807 10 0 FCAEMM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1ccc2n[n-]c(=S)n2c1 ZINC001544603714 1267585963 /nfs/dbraw/zinc/58/59/63/1267585963.db2.gz CPYNQQNUYUAEAN-VFZGTOFNSA-N -1 1 360.399 0.126 10 0 FCAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC001545221649 1267608541 /nfs/dbraw/zinc/60/85/41/1267608541.db2.gz WVVMXGCRDSKNQI-KZULUSFZSA-N -1 1 359.382 0.963 10 0 FCAEMM COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cnncc2[O-])C1=O ZINC001545332024 1267611651 /nfs/dbraw/zinc/61/16/51/1267611651.db2.gz XFAGDTBYBGPALI-JTQLQIEISA-N -1 1 362.367 0.566 10 0 FCAEMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC001338757136 1268077924 /nfs/dbraw/zinc/07/79/24/1268077924.db2.gz HUDYZPOZXJYKRC-UHFFFAOYSA-N -1 1 355.384 0.686 10 0 FCAEMM CC(C)(C)OC(=O)NCCCCNC(=O)CNC(=O)c1ncccc1[O-] ZINC001556155685 1268822239 /nfs/dbraw/zinc/82/22/39/1268822239.db2.gz VGJQYSBVBMMMJK-UHFFFAOYSA-N -1 1 366.418 0.938 10 0 FCAEMM CCC(CC)(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001556494825 1268861108 /nfs/dbraw/zinc/86/11/08/1268861108.db2.gz GTMDKRGWZOVKHU-UHFFFAOYSA-N -1 1 368.438 0.427 10 0 FCAEMM COC(=O)[C@H](NC(=O)CCc1nn[n-]n1)c1ccccc1Br ZINC001557432353 1268947863 /nfs/dbraw/zinc/94/78/63/1268947863.db2.gz CAHFBTUTBRIWEM-GFCCVEGCSA-N -1 1 368.191 0.925 10 0 FCAEMM CN(C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)c1nn[n-]n1 ZINC001557695552 1268966903 /nfs/dbraw/zinc/96/69/03/1268966903.db2.gz BLTQNGYKZXWUKX-SNVBAGLBSA-N -1 1 352.395 0.579 10 0 FCAEMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2c[nH][nH]c2=O)o1 ZINC001557701007 1268968610 /nfs/dbraw/zinc/96/86/10/1268968610.db2.gz FMGXVIKWVRNMOE-SNVBAGLBSA-N -1 1 370.431 0.598 10 0 FCAEMM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1nc([O-])cc(=O)[nH]1 ZINC001557703138 1268969463 /nfs/dbraw/zinc/96/94/63/1268969463.db2.gz JGKXXFWKVXWTKS-FZNYLWTLSA-N -1 1 367.431 0.230 10 0 FCAEMM O=C(CC[C@H]1NC(=O)NC1=O)Nc1[nH]nc2cnc(Br)cc21 ZINC001557876250 1268983830 /nfs/dbraw/zinc/98/38/30/1268983830.db2.gz AEFHQAQXLLPNKR-ZCFIWIBFSA-N -1 1 367.163 0.647 10 0 FCAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001557995847 1269001000 /nfs/dbraw/zinc/00/10/00/1269001000.db2.gz FFWKMNFRFCSJQZ-INIZCTEOSA-N -1 1 350.375 0.565 10 0 FCAEMM Cc1sc(=O)n(CCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1C ZINC001558049631 1269012952 /nfs/dbraw/zinc/01/29/52/1269012952.db2.gz VMIXSQALKADRRT-UHFFFAOYSA-N -1 1 364.427 0.801 10 0 FCAEMM Cc1oc(C(=O)N(Cc2nn[n-]n2)CC(C)C)cc1S(=O)(=O)N(C)C ZINC001558163753 1269040310 /nfs/dbraw/zinc/04/03/10/1269040310.db2.gz WVDOJESEMZOMNL-UHFFFAOYSA-N -1 1 370.435 0.650 10 0 FCAEMM COC[C@H](NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1nn[n-]n1 ZINC001558340044 1269067452 /nfs/dbraw/zinc/06/74/52/1269067452.db2.gz TXXBOASQRDCIKS-KWQFWETISA-N -1 1 366.328 0.335 10 0 FCAEMM O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001558346030 1269073951 /nfs/dbraw/zinc/07/39/51/1269073951.db2.gz IAIGIIZFGBTRPV-LBPRGKRZSA-N -1 1 368.397 0.948 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1ncn(C)c1Br ZINC001558584769 1269118708 /nfs/dbraw/zinc/11/87/08/1269118708.db2.gz YFBIEOWPUUXCFC-UHFFFAOYSA-N -1 1 372.179 0.365 10 0 FCAEMM CON(C)C(=O)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001564949791 1269444889 /nfs/dbraw/zinc/44/48/89/1269444889.db2.gz RWJVWJXZOQRWJA-VIFPVBQESA-N -1 1 354.329 0.106 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@@H](N2CCCC2=O)C1 ZINC001565247787 1269459275 /nfs/dbraw/zinc/45/92/75/1269459275.db2.gz JWMGBKHOSYBWRR-LLVKDONJSA-N -1 1 361.402 0.161 10 0 FCAEMM Cc1nnc([C@H]2CCCN(C(=O)NCc3nc4c(c(=O)[n-]3)COCC4)C2)[nH]1 ZINC001565246941 1269459440 /nfs/dbraw/zinc/45/94/40/1269459440.db2.gz AEPHPHNXDVIQMI-NSHDSACASA-N -1 1 373.417 0.771 10 0 FCAEMM Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)NCc1nn[n-]n1 ZINC001565584742 1269479052 /nfs/dbraw/zinc/47/90/52/1269479052.db2.gz IHYBGTLXZSDRJG-UHFFFAOYSA-N -1 1 350.383 0.529 10 0 FCAEMM O=C(CNC(=O)c1ccccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614764 1269482645 /nfs/dbraw/zinc/48/26/45/1269482645.db2.gz ZZRGHHSEIVQLRG-LLVKDONJSA-N -1 1 350.766 0.183 10 0 FCAEMM O=C([C@H]1CC[C@H](Nc2cnccn2)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001565614560 1269482755 /nfs/dbraw/zinc/48/27/55/1269482755.db2.gz SBGUFMGMYLGSJE-JHJVBQTASA-N -1 1 358.406 0.561 10 0 FCAEMM CN(C)C(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001566937895 1269668966 /nfs/dbraw/zinc/66/89/66/1269668966.db2.gz CIOQYBWMGGWKCK-UHFFFAOYSA-N -1 1 363.418 0.121 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001569165441 1269768719 /nfs/dbraw/zinc/76/87/19/1269768719.db2.gz ZFYDGPXLESRRRK-CQSZACIVSA-N -1 1 357.457 0.820 10 0 FCAEMM COCc1nc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)cs1 ZINC001569874544 1269811794 /nfs/dbraw/zinc/81/17/94/1269811794.db2.gz WZINCCCLKDRZFO-UHFFFAOYSA-N -1 1 361.383 0.799 10 0 FCAEMM CCO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CC(C)(C)O ZINC001344391243 1270167209 /nfs/dbraw/zinc/16/72/09/1270167209.db2.gz YKAKNXWCDQZXCH-TZMCWYRMSA-N -1 1 365.430 0.542 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(=O)[C@H](C)SC)[C@H]1C ZINC001573444764 1270779553 /nfs/dbraw/zinc/77/95/53/1270779553.db2.gz AUXXPIKBVKHBBM-VGMNWLOBSA-N -1 1 370.431 0.367 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)COC(C)C)[C@@H]1C ZINC001573548654 1270824988 /nfs/dbraw/zinc/82/49/88/1270824988.db2.gz RGDOKQNOUNGQLC-ZJUUUORDSA-N -1 1 368.390 0.041 10 0 FCAEMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)c1cn[nH]c(=O)c1 ZINC001574000801 1270984552 /nfs/dbraw/zinc/98/45/52/1270984552.db2.gz NWSOITBFKUXRKE-VXGBXAGGSA-N -1 1 371.397 0.811 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)Cn2c(C)cc(O)cc2=O)[n-]c1=O ZINC001603345776 1287359840 /nfs/dbraw/zinc/35/98/40/1287359840.db2.gz KNLVQBLVOPQPAN-GFCCVEGCSA-N -1 1 360.370 0.730 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001583229273 1282078607 /nfs/dbraw/zinc/07/86/07/1282078607.db2.gz CRCGMISFEFCBHX-UHFFFAOYSA-N -1 1 350.404 0.006 10 0 FCAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)n[n-]1 ZINC001584176949 1282140760 /nfs/dbraw/zinc/14/07/60/1282140760.db2.gz ZIRHYTZEGFYNFN-ZWNOBZJWSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)[n-]1 ZINC001584176949 1282140767 /nfs/dbraw/zinc/14/07/67/1282140767.db2.gz ZIRHYTZEGFYNFN-ZWNOBZJWSA-N -1 1 362.386 0.771 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](O)Cc2cccc(OC)c2)n1 ZINC001584176949 1282140773 /nfs/dbraw/zinc/14/07/73/1282140773.db2.gz ZIRHYTZEGFYNFN-ZWNOBZJWSA-N -1 1 362.386 0.771 10 0 FCAEMM O=C(CCc1nn[n-]n1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC001632070414 1282153864 /nfs/dbraw/zinc/15/38/64/1282153864.db2.gz FCPOYSUKCJRTFZ-UHFFFAOYSA-N -1 1 370.417 0.225 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)n[n-]1 ZINC001632562780 1282186702 /nfs/dbraw/zinc/18/67/02/1282186702.db2.gz POMSSGVRRJKXFX-UWVGGRQHSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)[n-]1 ZINC001632562780 1282186712 /nfs/dbraw/zinc/18/67/12/1282186712.db2.gz POMSSGVRRJKXFX-UWVGGRQHSA-N -1 1 371.463 0.807 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@H](CCSC)NC(=O)CC)n1 ZINC001632562780 1282186717 /nfs/dbraw/zinc/18/67/17/1282186717.db2.gz POMSSGVRRJKXFX-UWVGGRQHSA-N -1 1 371.463 0.807 10 0 FCAEMM COC12CCC(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])(CC1)C(=O)C2 ZINC001632571113 1282188194 /nfs/dbraw/zinc/18/81/94/1282188194.db2.gz NQAJZHKYGWUNFA-UHFFFAOYSA-N -1 1 368.411 0.897 10 0 FCAEMM CN1C(=O)CCC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001632595970 1282189186 /nfs/dbraw/zinc/18/91/86/1282189186.db2.gz RGAKYMKMXNCQRV-ZDUSSCGKSA-N -1 1 367.427 0.782 10 0 FCAEMM Cc1nc(CN2CCN(C(=O)c3c(C)[nH]c(=O)[n-]c3=S)CC2)no1 ZINC001632616159 1282191547 /nfs/dbraw/zinc/19/15/47/1282191547.db2.gz KVSRGMKIRTXPGK-UHFFFAOYSA-N -1 1 350.404 0.429 10 0 FCAEMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCC(c3nn[n-]n3)CC1)C2=O ZINC001632649940 1282194743 /nfs/dbraw/zinc/19/47/43/1282194743.db2.gz CLXSUYHBMVGCPH-NSHDSACASA-N -1 1 368.397 0.899 10 0 FCAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001632722822 1282201001 /nfs/dbraw/zinc/20/10/01/1282201001.db2.gz XOMGBPBJJAMNSI-XPTSAGLGSA-N -1 1 373.456 0.245 10 0 FCAEMM O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183582 1282209782 /nfs/dbraw/zinc/20/97/82/1282209782.db2.gz PECZOAVGCAMDMJ-KGLIPLIRSA-N -1 1 356.386 0.148 10 0 FCAEMM CCC1(CC)NC(=O)N(CC(=O)N[C@@H](CCSC)c2nn[n-]n2)C1=O ZINC001585193198 1282211717 /nfs/dbraw/zinc/21/17/17/1282211717.db2.gz OPARBVUVXRNLMK-VIFPVBQESA-N -1 1 369.451 0.221 10 0 FCAEMM Cn1cc(I)c(C(=O)NC2(c3nn[n-]n3)CCC2)n1 ZINC001633586696 1282257181 /nfs/dbraw/zinc/25/71/81/1282257181.db2.gz NWTGHKHHLRDFCC-UHFFFAOYSA-N -1 1 373.158 0.347 10 0 FCAEMM Cn1cc(N2C[C@@H](C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)CCC2=O)cn1 ZINC001633714891 1282269481 /nfs/dbraw/zinc/26/94/81/1282269481.db2.gz DJAIQPUFNRSGIJ-NEPJUHHUSA-N -1 1 374.401 0.658 10 0 FCAEMM O=C(Cc1cccnc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895504 1282281850 /nfs/dbraw/zinc/28/18/50/1282281850.db2.gz HKHBQWRQCYHMIX-UHFFFAOYSA-N -1 1 367.207 0.410 10 0 FCAEMM COc1cc2cc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)[nH]c2cc1OC ZINC001633895368 1282282141 /nfs/dbraw/zinc/28/21/41/1282282141.db2.gz BEZQYHSCCJREBT-UHFFFAOYSA-N -1 1 372.385 0.822 10 0 FCAEMM C[C@@]1(CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCS(=O)(=O)N1 ZINC001586308519 1282292722 /nfs/dbraw/zinc/29/27/22/1282292722.db2.gz BFKSDQUSAAWNGP-AWEZNQCLSA-N -1 1 366.403 0.189 10 0 FCAEMM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001587012364 1282325881 /nfs/dbraw/zinc/32/58/81/1282325881.db2.gz SVYZBRWBEWVBLL-LBPRGKRZSA-N -1 1 369.395 0.315 10 0 FCAEMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)n1 ZINC001587265168 1282344600 /nfs/dbraw/zinc/34/46/00/1282344600.db2.gz IEUJYCLJYIZNNC-UHFFFAOYSA-N -1 1 371.353 0.891 10 0 FCAEMM COc1ccc(CN2CC[C@@H]2C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cc1 ZINC001635007457 1282372434 /nfs/dbraw/zinc/37/24/34/1282372434.db2.gz HXSMLIOSGFKGCN-OAHLLOKOSA-N -1 1 372.429 0.293 10 0 FCAEMM Cc1nc(C)n(Cc2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c2)n1 ZINC001635010811 1282372744 /nfs/dbraw/zinc/37/27/44/1282372744.db2.gz NSUQMVXXJBSKSY-UHFFFAOYSA-N -1 1 368.397 0.822 10 0 FCAEMM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1ccc(I)c([O-])c1 ZINC001635242309 1282388144 /nfs/dbraw/zinc/38/81/44/1282388144.db2.gz MMMHKKYFMNGXOR-IJRMOIDVSA-N -1 1 363.151 0.611 10 0 FCAEMM C[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001588027715 1282397889 /nfs/dbraw/zinc/39/78/89/1282397889.db2.gz KGGXVOSYZCAQML-NSHDSACASA-N -1 1 356.382 0.690 10 0 FCAEMM O=C(c1[nH]ncc1I)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001588218413 1282409072 /nfs/dbraw/zinc/40/90/72/1282409072.db2.gz ZOYUBFHESROSDI-RXMQYKEDSA-N -1 1 359.131 0.157 10 0 FCAEMM NS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001635725658 1282427647 /nfs/dbraw/zinc/42/76/47/1282427647.db2.gz RRAMLYCWWOGWBP-UHFFFAOYSA-N -1 1 353.331 0.756 10 0 FCAEMM CCC(CC)(NC(=O)CN1C(=O)NC(CC)(CC)C1=O)c1nn[n-]n1 ZINC001635931919 1282441888 /nfs/dbraw/zinc/44/18/88/1282441888.db2.gz XENQUNXIVXHDRQ-UHFFFAOYSA-N -1 1 351.411 0.442 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CN3CCNC3=O)CC2)co1 ZINC001636285018 1282479477 /nfs/dbraw/zinc/47/94/77/1282479477.db2.gz ZBMHYYMGCXZGKD-UHFFFAOYSA-N -1 1 370.431 0.065 10 0 FCAEMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccn(CCn2cccn2)n1 ZINC001636321905 1282485345 /nfs/dbraw/zinc/48/53/45/1282485345.db2.gz JSOMUQFVHPLXAB-UHFFFAOYSA-N -1 1 369.385 0.278 10 0 FCAEMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001636459053 1282504711 /nfs/dbraw/zinc/50/47/11/1282504711.db2.gz WRBZSCGARNYYGZ-INIZCTEOSA-N -1 1 368.438 0.401 10 0 FCAEMM CN1CCn2ncc(C(=O)Nc3ccc([O-])c(F)c3F)c2S1(=O)=O ZINC001636507333 1282508331 /nfs/dbraw/zinc/50/83/31/1282508331.db2.gz VHFSWCQGTCFUPR-UHFFFAOYSA-N -1 1 358.326 0.753 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC001637058079 1282554797 /nfs/dbraw/zinc/55/47/97/1282554797.db2.gz OEOHGQHHXVBISC-UHFFFAOYSA-N -1 1 352.420 0.287 10 0 FCAEMM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NN2CC(=O)[N-]C2=O)C1 ZINC001638138005 1282664411 /nfs/dbraw/zinc/66/44/11/1282664411.db2.gz WSFJTCQUTIRBIG-LLVKDONJSA-N -1 1 366.418 0.997 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)NC1CC(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001718844863 1287589401 /nfs/dbraw/zinc/58/94/01/1287589401.db2.gz MJDKVUDWRXQHHT-BLYZHGLHSA-N -1 1 362.430 0.078 10 0 FCAEMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC001638337357 1282686676 /nfs/dbraw/zinc/68/66/76/1282686676.db2.gz JKNNBNYUTUXRSO-CHWFTXMASA-N -1 1 355.416 0.065 10 0 FCAEMM O=C(CCCc1nn[n-]n1)N1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001638985262 1282738067 /nfs/dbraw/zinc/73/80/67/1282738067.db2.gz WFBKHMSJLUGUDN-UHFFFAOYSA-N -1 1 356.390 0.453 10 0 FCAEMM CNS(=O)(=O)c1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC001639203449 1282757722 /nfs/dbraw/zinc/75/77/22/1282757722.db2.gz ZVHNPKCSLDKPEE-UHFFFAOYSA-N -1 1 371.365 0.946 10 0 FCAEMM CCOC(=O)c1[n-]cnc1CNC(=O)c1cnc2ccc(C)cn2c1=O ZINC001639514471 1282791546 /nfs/dbraw/zinc/79/15/46/1282791546.db2.gz JJEWMHMTFVLBON-UHFFFAOYSA-N -1 1 355.354 0.833 10 0 FCAEMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1nc2c(s1)COCC2 ZINC001639565493 1282794766 /nfs/dbraw/zinc/79/47/66/1282794766.db2.gz AOSALLAYZHJQEA-UHFFFAOYSA-N -1 1 352.372 0.398 10 0 FCAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001639655995 1282801399 /nfs/dbraw/zinc/80/13/99/1282801399.db2.gz DEHZVUHPPHFZNO-KOLCDFICSA-N -1 1 370.475 0.785 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)CC(=O)NCC(F)(F)F)n[n-]1 ZINC001640225236 1282848039 /nfs/dbraw/zinc/84/80/39/1282848039.db2.gz ILENBHDEYKCKAF-LURJTMIESA-N -1 1 351.285 0.227 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)CC(=O)NCC(F)(F)F)[n-]1 ZINC001640225236 1282848047 /nfs/dbraw/zinc/84/80/47/1282848047.db2.gz ILENBHDEYKCKAF-LURJTMIESA-N -1 1 351.285 0.227 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CC(=O)NCC(F)(F)F)n1 ZINC001640225236 1282848060 /nfs/dbraw/zinc/84/80/60/1282848060.db2.gz ILENBHDEYKCKAF-LURJTMIESA-N -1 1 351.285 0.227 10 0 FCAEMM O=C(NCc1nnc2n1CCNC2=O)c1ccc2ccc(O)cc2c1[O-] ZINC001589423751 1282877950 /nfs/dbraw/zinc/87/79/50/1282877950.db2.gz KZGCOBORUKHIBG-UHFFFAOYSA-N -1 1 353.338 0.516 10 0 FCAEMM Cn1nccc1[C@@H](O)C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001641143810 1282927309 /nfs/dbraw/zinc/92/73/09/1282927309.db2.gz QIHXGSSSBJFPAY-KRWDZBQOSA-N -1 1 373.413 0.223 10 0 FCAEMM COc1ccc(CNC(=O)C=CC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001641493113 1282956726 /nfs/dbraw/zinc/95/67/26/1282956726.db2.gz CRZYMJDBCLEOBN-SREVYHEPSA-N -1 1 358.354 0.385 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001642978971 1283051064 /nfs/dbraw/zinc/05/10/64/1283051064.db2.gz KMDXSDDZWOLNRR-CQSZACIVSA-N -1 1 354.388 0.164 10 0 FCAEMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC[C@H]1CNC(=O)C1 ZINC001683906616 1284126053 /nfs/dbraw/zinc/12/60/53/1284126053.db2.gz IKNYXTFKPJAIPR-AXFHLTTASA-N -1 1 364.368 0.754 10 0 FCAEMM CCCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001719091481 1287703289 /nfs/dbraw/zinc/70/32/89/1287703289.db2.gz LJJPMCMHCDYYKN-YRGRVCCFSA-N -1 1 351.403 0.294 10 0 FCAEMM CC[C@]1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCNC1=O ZINC001702707774 1285804911 /nfs/dbraw/zinc/80/49/11/1285804911.db2.gz AGRJUZVYLPGOLL-SOZUMNATSA-N -1 1 360.414 0.423 10 0 FCAEMM C[C@@H]1[C@@H](NC(=O)CC2(C)CC2)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001702712333 1285810521 /nfs/dbraw/zinc/81/05/21/1285810521.db2.gz VXDMBBVLUXDVNX-OLZOCXBDSA-N -1 1 362.430 0.223 10 0 FCAEMM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001702791181 1285869905 /nfs/dbraw/zinc/86/99/05/1285869905.db2.gz HUWJTGGZYGLPEX-DGCLKSJQSA-N -1 1 360.414 0.138 10 0 FCAEMM COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCc3nn[n-]n3)CC2)c1 ZINC001595390489 1286246229 /nfs/dbraw/zinc/24/62/29/1286246229.db2.gz UYUXSUFVFJRYNH-UHFFFAOYSA-N -1 1 374.401 0.134 10 0 FCAEMM COC[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1nn[n-]n1 ZINC001595889758 1286267350 /nfs/dbraw/zinc/26/73/50/1286267350.db2.gz XVQNEZAJCOCHOZ-YPMHNXCESA-N -1 1 365.438 0.368 10 0 FCAEMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)O2 ZINC001596518471 1286306019 /nfs/dbraw/zinc/30/60/19/1286306019.db2.gz PZVVRBGVDXLYLM-ZOPJHEKZSA-N -1 1 351.403 0.016 10 0 FCAEMM O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1cc(I)ccc1[O-] ZINC001596711619 1286313025 /nfs/dbraw/zinc/31/30/25/1286313025.db2.gz QLHYWLOGGHYIGC-IJRMOIDVSA-N -1 1 363.151 0.611 10 0 FCAEMM COC(=O)c1cnc([C@H]2CCN(C(=O)CCCc3nn[n-]n3)C2)s1 ZINC001598380827 1286388937 /nfs/dbraw/zinc/38/89/37/1286388937.db2.gz CWZHIKZZNZSTSD-VIFPVBQESA-N -1 1 350.404 0.782 10 0 FCAEMM CC(C)=CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001736084852 1289133950 /nfs/dbraw/zinc/13/39/50/1289133950.db2.gz JMERBMFJMUSUBZ-NWDGAFQWSA-N -1 1 358.402 0.399 10 0 FCAEMM C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001719165019 1287818019 /nfs/dbraw/zinc/81/80/19/1287818019.db2.gz QLNJYOWLBBXAIV-HZSPNIEDSA-N -1 1 363.414 0.417 10 0 FCAEMM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1C ZINC001719167753 1287819529 /nfs/dbraw/zinc/81/95/29/1287819529.db2.gz YMDFXSBTPLSXMA-DBLGQFABSA-N -1 1 362.430 0.246 10 0 FCAEMM CCC[C@@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001719242536 1287934598 /nfs/dbraw/zinc/93/45/98/1287934598.db2.gz QZWVJSHBHOKPSB-BPLDGKMQSA-N -1 1 365.430 0.948 10 0 FCAEMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001732965977 1288597627 /nfs/dbraw/zinc/59/76/27/1288597627.db2.gz VANFLYJXXCKALN-BYCMXARLSA-N -1 1 358.446 0.974 10 0 FCAEMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001735410742 1288731093 /nfs/dbraw/zinc/73/10/93/1288731093.db2.gz XVYBPNXEDKQHOT-XUJVJEKNSA-N -1 1 351.403 0.151 10 0 FCAEMM Cc1cc(C(F)(F)F)nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)n1 ZINC001610194792 1289420736 /nfs/dbraw/zinc/42/07/36/1289420736.db2.gz UYQFXGAPWHSZFD-UHFFFAOYSA-N -1 1 350.282 0.578 10 0 FCAEMM Cc1cc(C(F)(F)F)nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001610194792 1289420737 /nfs/dbraw/zinc/42/07/37/1289420737.db2.gz UYQFXGAPWHSZFD-UHFFFAOYSA-N -1 1 350.282 0.578 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N(CC)CCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001737271558 1289524162 /nfs/dbraw/zinc/52/41/62/1289524162.db2.gz AKSUSUFLRGCPMC-GHMZBOCLSA-N -1 1 366.418 0.911 10 0 FCAEMM CC(C)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001700972992 1289624767 /nfs/dbraw/zinc/62/47/67/1289624767.db2.gz AYIAZZCWXVRRDI-AQRJEWBLSA-N -1 1 363.462 0.201 10 0 FCAEMM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001738491728 1289692170 /nfs/dbraw/zinc/69/21/70/1289692170.db2.gz FNDDSNFIUCJJSH-LLGAQUFESA-N -1 1 355.398 0.727 10 0 FCAEMM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ncccc1[O-] ZINC001738883598 1289745239 /nfs/dbraw/zinc/74/52/39/1289745239.db2.gz JQUGGCQPZCDNNH-MELADBBJSA-N -1 1 356.382 0.193 10 0 FCAEMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCC1=O ZINC001616685184 1289787692 /nfs/dbraw/zinc/78/76/92/1289787692.db2.gz MQKITSQIHVYYGZ-ZDUSSCGKSA-N -1 1 362.430 0.745 10 0 FCAEMM COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)nn1C ZINC001616732635 1289791576 /nfs/dbraw/zinc/79/15/76/1289791576.db2.gz HPOACGVSVZZTKV-UHFFFAOYSA-N -1 1 359.317 0.868 10 0 FCAEMM Nc1c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cnn1-c1ccccc1 ZINC001617703145 1289859188 /nfs/dbraw/zinc/85/91/88/1289859188.db2.gz MMBNHXUHVXBOHC-UHFFFAOYSA-N -1 1 354.374 0.091 10 0 FCAEMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703823 1289859739 /nfs/dbraw/zinc/85/97/39/1289859739.db2.gz XBGFPCAKQRJMAM-UWVGGRQHSA-N -1 1 363.340 0.900 10 0 FCAEMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001617703863 1289859810 /nfs/dbraw/zinc/85/98/10/1289859810.db2.gz XPMOFVPDYMZRMB-QWRGUYRKSA-N -1 1 366.422 0.171 10 0 FCAEMM Cc1ccc(N2CC[C@H](NC(=O)CNC(=O)c3ncccc3[O-])C2=O)cc1 ZINC001617780928 1289866376 /nfs/dbraw/zinc/86/63/76/1289866376.db2.gz RXCVYTBOPMZWOU-AWEZNQCLSA-N -1 1 368.393 0.747 10 0 FCAEMM CC(C)(C)OC(=O)[C@]1(NCc2nc3c(c(=O)[n-]2)COCC3)CCOC1 ZINC001619922148 1289969746 /nfs/dbraw/zinc/96/97/46/1289969746.db2.gz CFQDBFKAUQYFLC-KRWDZBQOSA-N -1 1 351.403 0.845 10 0 FCAEMM CCO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C(C)C ZINC001702353769 1290114867 /nfs/dbraw/zinc/11/48/67/1290114867.db2.gz VVDLOWZEERGPOS-ZLDLUXBVSA-N -1 1 351.403 0.150 10 0 FCAEMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC001623677302 1290229790 /nfs/dbraw/zinc/22/97/90/1290229790.db2.gz MNHDVMHAYMCYQQ-CHWSQXEVSA-N -1 1 361.398 0.504 10 0 FCAEMM CCOC(=O)c1cnn(C2CCN(C(=O)CCc3nn[n-]n3)CC2)c1C ZINC001623781153 1290237481 /nfs/dbraw/zinc/23/74/81/1290237481.db2.gz RJSIRDCWGNHJNY-UHFFFAOYSA-N -1 1 361.406 0.678 10 0 FCAEMM CCOCCCCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739641491 1290283485 /nfs/dbraw/zinc/28/34/85/1290283485.db2.gz AWDWEPACMKUQGY-HIFRSBDPSA-N -1 1 365.430 0.686 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC001625462462 1290341666 /nfs/dbraw/zinc/34/16/66/1290341666.db2.gz KOFMHEDLQFIINB-UHFFFAOYSA-N -1 1 354.370 0.972 10 0 FCAEMM O=C(CCc1nn[n-]n1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC001625527595 1290347351 /nfs/dbraw/zinc/34/73/51/1290347351.db2.gz QGEPHDQLUHVEQM-UHFFFAOYSA-N -1 1 359.386 0.726 10 0 FCAEMM Cn1nc(-c2ccncc2)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001625612011 1290355814 /nfs/dbraw/zinc/35/58/14/1290355814.db2.gz XCJNFNWKOLJZFA-ZDUSSCGKSA-N -1 1 356.415 0.926 10 0 FCAEMM Cc1nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)sc1Br ZINC001626046794 1290372351 /nfs/dbraw/zinc/37/23/51/1290372351.db2.gz NNZLDERCFPLIKY-UHFFFAOYSA-N -1 1 373.236 0.851 10 0 FCAEMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001626046842 1290372436 /nfs/dbraw/zinc/37/24/36/1290372436.db2.gz PGAGUKXWFAIIHU-WBMJQRKESA-N -1 1 351.407 0.128 10 0 FCAEMM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001626578126 1290404150 /nfs/dbraw/zinc/40/41/50/1290404150.db2.gz FBGYQJHWQGVBLB-WDEREUQCSA-N -1 1 357.432 0.265 10 0 FCAEMM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001628481148 1290537117 /nfs/dbraw/zinc/53/71/17/1290537117.db2.gz QGMHOFSFHXFNLI-CYBMUJFWSA-N -1 1 367.421 0.830 10 0 FCAEMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n[n-]1 ZINC001629030190 1290571598 /nfs/dbraw/zinc/57/15/98/1290571598.db2.gz WMWODHMSHPJQOK-QMMMGPOBSA-N -1 1 371.353 0.698 10 0 FCAEMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[n-]1 ZINC001629030190 1290571610 /nfs/dbraw/zinc/57/16/10/1290571610.db2.gz WMWODHMSHPJQOK-QMMMGPOBSA-N -1 1 371.353 0.698 10 0 FCAEMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC001629030190 1290571620 /nfs/dbraw/zinc/57/16/20/1290571620.db2.gz WMWODHMSHPJQOK-QMMMGPOBSA-N -1 1 371.353 0.698 10 0 FCAEMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001744945731 1290582283 /nfs/dbraw/zinc/58/22/83/1290582283.db2.gz IBBZLIJZILHZEJ-OPRDCNLKSA-N -1 1 352.391 0.567 10 0 FCAEMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCCN(C)C2=O)c1 ZINC001629176592 1290583921 /nfs/dbraw/zinc/58/39/21/1290583921.db2.gz NJXXLJRQGTXCCR-LLVKDONJSA-N -1 1 355.416 0.497 10 0 FCAEMM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CCCc1nn[n-]n1 ZINC001631135276 1290716270 /nfs/dbraw/zinc/71/62/70/1290716270.db2.gz UBUNRCYLATXJKW-CYBMUJFWSA-N -1 1 360.418 0.987 10 0 FCAEMM COc1nn(C)cc1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001631428279 1290730261 /nfs/dbraw/zinc/73/02/61/1290730261.db2.gz JNIAOJXTTBUQQT-UHFFFAOYSA-N -1 1 366.399 0.827 10 0 FCAEMM O=C(CNC(=O)Nc1ccccc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643241831 1290866615 /nfs/dbraw/zinc/86/66/15/1290866615.db2.gz RVFIBFDETUJAOP-UHFFFAOYSA-N -1 1 357.370 0.693 10 0 FCAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1sccc1S(=O)(=O)N(C)C ZINC001643823981 1290917899 /nfs/dbraw/zinc/91/78/99/1290917899.db2.gz KRTJQMKFRQQYTJ-UHFFFAOYSA-N -1 1 372.476 0.810 10 0 FCAEMM COCCn1cc(CNC(=O)c2ccc(Cl)cc2[O-])c(=O)[nH]c1=O ZINC001644313167 1290954731 /nfs/dbraw/zinc/95/47/31/1290954731.db2.gz FPZZJLFSKKLUMI-UHFFFAOYSA-N -1 1 353.762 0.884 10 0 FCAEMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)co1 ZINC001644357532 1290957443 /nfs/dbraw/zinc/95/74/43/1290957443.db2.gz ACXOWWHVOXPTOG-VIFPVBQESA-N -1 1 351.375 0.505 10 0 FCAEMM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001644748626 1290981319 /nfs/dbraw/zinc/98/13/19/1290981319.db2.gz RCVMUYTXKQVICW-UHFFFAOYSA-N -1 1 354.392 0.161 10 0 FCAEMM O=C(c1cccc(N2CCNC2=O)c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001645346601 1291020637 /nfs/dbraw/zinc/02/06/37/1291020637.db2.gz SRQCYFPFTDFXHW-GFCCVEGCSA-N -1 1 355.402 0.824 10 0 FCAEMM Cn1cc(-c2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)nn1 ZINC001645993912 1291052999 /nfs/dbraw/zinc/05/29/99/1291052999.db2.gz SEZZIUJTHQEMAI-UHFFFAOYSA-N -1 1 352.354 0.951 10 0 FCAEMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001647899190 1291082226 /nfs/dbraw/zinc/08/22/26/1291082226.db2.gz BFOZISCTUDAEKN-YUELXQCFSA-N -1 1 358.398 0.486 10 0 FCAEMM CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001648406408 1291119556 /nfs/dbraw/zinc/11/95/56/1291119556.db2.gz YIBTVPFVIQBGIW-SNVBAGLBSA-N -1 1 358.420 0.136 10 0 FCAEMM COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CC(c3cnn(C)c3)=NO2)[n-]c1=O ZINC001648405399 1291120101 /nfs/dbraw/zinc/12/01/01/1291120101.db2.gz BKOVTXMZNOLVTQ-QWHCGFSZSA-N -1 1 372.385 0.781 10 0 FCAEMM O=C(NC1CCC(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1)C1CC1 ZINC001650748966 1291177974 /nfs/dbraw/zinc/17/79/74/1291177974.db2.gz PIFZZRRSFUHFFD-UHFFFAOYSA-N -1 1 374.441 0.956 10 0 FCAEMM Cc1nnnn1C(=Cc1ccccc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650858740 1291181552 /nfs/dbraw/zinc/18/15/52/1291181552.db2.gz SEFRXVFHWAPJJJ-CKXDQPNJSA-N -1 1 351.374 0.509 10 0 FCAEMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)CCc3ccccc32)n[n-]1 ZINC001650943821 1291188177 /nfs/dbraw/zinc/18/81/77/1291188177.db2.gz NFNOTHGQQXZGNW-UHFFFAOYSA-N -1 1 357.370 0.577 10 0 FCAEMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)CCc3ccccc32)n1 ZINC001650943821 1291188182 /nfs/dbraw/zinc/18/81/82/1291188182.db2.gz NFNOTHGQQXZGNW-UHFFFAOYSA-N -1 1 357.370 0.577 10 0 FCAEMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001651148369 1291198690 /nfs/dbraw/zinc/19/86/90/1291198690.db2.gz RONBPMONOBQMJT-SCZZXKLOSA-N -1 1 363.340 0.628 10 0 FCAEMM COc1ccccc1N1C[C@H](C(=O)NC2(c3nn[n-]n3)CCC2)CC1=O ZINC001651218722 1291208250 /nfs/dbraw/zinc/20/82/50/1291208250.db2.gz TULGZGXZRJRZIU-LLVKDONJSA-N -1 1 356.386 0.757 10 0 FCAEMM O=C(NC1(c2nn[n-]n2)CCC1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001651218043 1291208419 /nfs/dbraw/zinc/20/84/19/1291208419.db2.gz APOJWDLMIXYYJO-UHFFFAOYSA-N -1 1 371.332 0.196 10 0 FCAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001651450433 1291222397 /nfs/dbraw/zinc/22/23/97/1291222397.db2.gz FMFDFIMRGQBDSI-VIFPVBQESA-N -1 1 360.461 0.224 10 0 FCAEMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690743 1291232983 /nfs/dbraw/zinc/23/29/83/1291232983.db2.gz AWKBYPWFLLAZKP-VIFPVBQESA-N -1 1 362.342 0.921 10 0 FCAEMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690743 1291232987 /nfs/dbraw/zinc/23/29/87/1291232987.db2.gz AWKBYPWFLLAZKP-VIFPVBQESA-N -1 1 362.342 0.921 10 0 FCAEMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)c1cc(=O)c(OC)co1 ZINC001651690743 1291232995 /nfs/dbraw/zinc/23/29/95/1291232995.db2.gz AWKBYPWFLLAZKP-VIFPVBQESA-N -1 1 362.342 0.921 10 0 FCAEMM COC[C@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)c1nn[n-]n1 ZINC001651846619 1291243614 /nfs/dbraw/zinc/24/36/14/1291243614.db2.gz IVDXMHNIZHRWIP-LBPRGKRZSA-N -1 1 366.422 0.961 10 0 FCAEMM COC[C@H](NC(=O)c1cnn(-c2ccccc2OC)c1C)c1nn[n-]n1 ZINC001651846789 1291243857 /nfs/dbraw/zinc/24/38/57/1291243857.db2.gz NDEVMHZJOHNDTR-LBPRGKRZSA-N -1 1 357.374 0.820 10 0 FCAEMM CSc1ncc(C(=O)N2CCN(c3nc(C)cc(=O)[nH]3)CC2)c(=O)[n-]1 ZINC001652071018 1291258270 /nfs/dbraw/zinc/25/82/70/1291258270.db2.gz MZMGWHJVJIBMIE-UHFFFAOYSA-N -1 1 362.415 0.671 10 0 FCAEMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 ZINC001652076216 1291259456 /nfs/dbraw/zinc/25/94/56/1291259456.db2.gz UFSUVTQVGCOXJT-AWEZNQCLSA-N -1 1 356.382 0.907 10 0 FCAEMM CCC(=O)N1CCCC[C@H]1C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001652613526 1291287483 /nfs/dbraw/zinc/28/74/83/1291287483.db2.gz MTHOGRKANLMETN-LBPRGKRZSA-N -1 1 350.419 0.988 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)[n-]c1=O ZINC001653331895 1291336100 /nfs/dbraw/zinc/33/61/00/1291336100.db2.gz AGTRXVSZWYLYCE-GFCCVEGCSA-N -1 1 359.386 0.728 10 0 FCAEMM COc1cnc([C@H]2CCCN2C(=O)C[C@H]2CCCS2(=O)=O)[n-]c1=O ZINC001653333955 1291337045 /nfs/dbraw/zinc/33/70/45/1291337045.db2.gz VBCGXTCDXHZDRJ-GHMZBOCLSA-N -1 1 355.416 0.822 10 0 FCAEMM CCO[C@]12CCC[C@@]1(NC(=O)c1coc(S(=O)(=O)[N-]C)c1)CCO2 ZINC001653355086 1291337950 /nfs/dbraw/zinc/33/79/50/1291337950.db2.gz OOLRKSMFANLIAD-CABCVRRESA-N -1 1 358.416 0.993 10 0 FCAEMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001669851162 1292007542 /nfs/dbraw/zinc/00/75/42/1292007542.db2.gz CNTTVLDMLXXEBN-CFVMTHIKSA-N -1 1 361.446 0.774 10 0 FCAEMM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001674968048 1292161786 /nfs/dbraw/zinc/16/17/86/1292161786.db2.gz HRFCBSHMOIDZMV-IUCAKERBSA-N -1 1 373.356 0.578 10 0 FCAEMM CCOCCOC1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456952 1292177293 /nfs/dbraw/zinc/17/72/93/1292177293.db2.gz WFHAQLLLFHPYJZ-UHFFFAOYSA-N -1 1 352.391 0.202 10 0 FCAEMM O=C(NCCC[C@H]1CCOC1=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001684868007 1292346808 /nfs/dbraw/zinc/34/68/08/1292346808.db2.gz DFKVXCMZRYZWII-JTQLQIEISA-N -1 1 350.375 0.397 10 0 FCAEMM CSCc1n[nH]c(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001685249116 1292468834 /nfs/dbraw/zinc/46/88/34/1292468834.db2.gz YWUISTNYWSVKBD-MRVPVSSYSA-N -1 1 352.424 0.581 10 0 FCAEMM CSCc1nnc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001685249116 1292468836 /nfs/dbraw/zinc/46/88/36/1292468836.db2.gz YWUISTNYWSVKBD-MRVPVSSYSA-N -1 1 352.424 0.581 10 0 FCAEMM CCOCC(=O)N1C[C@@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)[C@H](C)C1 ZINC001685670207 1292588333 /nfs/dbraw/zinc/58/83/33/1292588333.db2.gz DFMBECMDKICPEW-DGCLKSJQSA-N -1 1 362.430 0.920 10 0 FCAEMM