smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc(Cl)nnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721155 720356803 /nfs/dbraw/zinc/35/68/03/720356803.db2.gz ATYLGXAMNXHTRK-JKSUJKDBSA-N 0 1 387.871 2.555 20 0 GFADMN CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728303 720384025 /nfs/dbraw/zinc/38/40/25/720384025.db2.gz SVOHFFVKCJAJEA-RTBURBONSA-N 0 1 393.491 2.779 20 0 GFADMN COc1cnc(SC)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164860749 720926984 /nfs/dbraw/zinc/92/69/84/720926984.db2.gz SOWAZBHKLXZGOR-CYBMUJFWSA-N 0 1 376.530 2.825 20 0 GFADMN CCOC(=O)c1c(C)ncnc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164857033 720964604 /nfs/dbraw/zinc/96/46/04/720964604.db2.gz FWMCXVAXTUXHEA-OAHLLOKOSA-N 0 1 386.500 2.580 20 0 GFADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc(=O)n(C)c3n1)[C@H]2C ZINC001164857048 720965623 /nfs/dbraw/zinc/96/56/23/720965623.db2.gz GDFXVSUZUOYLMM-HNNXBMFYSA-N 0 1 380.496 2.551 20 0 GFADMN CCCNC(=O)c1cccnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164862726 721000921 /nfs/dbraw/zinc/00/09/21/721000921.db2.gz UEGRLTGROVJIPQ-INIZCTEOSA-N 0 1 384.528 2.839 20 0 GFADMN Clc1cc(Cl)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164869164 721051443 /nfs/dbraw/zinc/05/14/43/721051443.db2.gz SBNCWZIAEFWHDO-KGLIPLIRSA-N 0 1 380.279 2.658 20 0 GFADMN Clc1nc2cccnc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865491 721086014 /nfs/dbraw/zinc/08/60/14/721086014.db2.gz LTJCUPPRWFCXEF-HOTGVXAUSA-N 0 1 396.882 2.553 20 0 GFADMN FC(F)(c1cnnc(Cl)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862767 721089973 /nfs/dbraw/zinc/08/99/73/721089973.db2.gz AETDZANSHNRGFM-JKSUJKDBSA-N 0 1 395.841 2.550 20 0 GFADMN Cn1cc(CN2CC[C@H]3CN(c4cncc(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1 ZINC001164769698 721237244 /nfs/dbraw/zinc/23/72/44/721237244.db2.gz ZEAWFLVLCVCBKY-RBUKOAKNSA-N 0 1 392.482 2.975 20 0 GFADMN COc1cccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164777862 721339179 /nfs/dbraw/zinc/33/91/79/721339179.db2.gz JONKOJGKOWQDMV-NRFANRHFSA-N 0 1 386.496 2.814 20 0 GFADMN COc1ccnc(Cl)c1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164895439 721444148 /nfs/dbraw/zinc/44/41/48/721444148.db2.gz PBDOGUWCEBIFOM-UZLBHIALSA-N 0 1 394.947 2.509 20 0 GFADMN Cc1nc2[nH]ccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805994 721538597 /nfs/dbraw/zinc/53/85/97/721538597.db2.gz NEXRIGMYADIIAQ-CEXWTWQISA-N 0 1 378.480 2.530 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ncccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164808402 721549152 /nfs/dbraw/zinc/54/91/52/721549152.db2.gz RWOFCFAMQIWBMM-SJBKTWHCSA-N 0 1 375.476 2.893 20 0 GFADMN Cc1[nH]c2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164804722 721557321 /nfs/dbraw/zinc/55/73/21/721557321.db2.gz MNVJTEUMRKBOAZ-HBFSDRIKSA-N 0 1 392.507 2.838 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(F)c3cc[nH]c32)[C@H]2CCCO[C@@H]12 ZINC001164806197 721570755 /nfs/dbraw/zinc/57/07/55/721570755.db2.gz PHRFJGKPJLXDAO-NLWGTHIKSA-N 0 1 381.455 2.965 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3c(n2)CCCC3)[C@@H]2CCCO[C@H]12 ZINC001164811415 721587727 /nfs/dbraw/zinc/58/77/27/721587727.db2.gz XNBPZFOCLMRXKR-SJBKTWHCSA-N 0 1 379.508 2.619 20 0 GFADMN COc1ccc2nc(N3CCCC34CCN(CC(=O)N(C)C)CC4)ccc2c1 ZINC001165010096 721735172 /nfs/dbraw/zinc/73/51/72/721735172.db2.gz ABUJFQNZGFTGQP-UHFFFAOYSA-N 0 1 382.508 2.766 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(C3CCC3)nc3[nH]ccc32)CC1 ZINC001165012247 721750432 /nfs/dbraw/zinc/75/04/32/721750432.db2.gz DJLHNUBPUJRZGJ-UHFFFAOYSA-N 0 1 396.539 2.748 20 0 GFADMN CCOc1ccc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165019327 721838547 /nfs/dbraw/zinc/83/85/47/721838547.db2.gz DCWOIGSEIOMYKD-UHFFFAOYSA-N 0 1 386.496 2.993 20 0 GFADMN CC1CCN(C(=O)c2ccc(N3CCN(CCc4ccccn4)CC3)nc2)CC1 ZINC001165055540 722017142 /nfs/dbraw/zinc/01/71/42/722017142.db2.gz PMCBMDBXHOTDOC-UHFFFAOYSA-N 0 1 393.535 2.713 20 0 GFADMN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cl ZINC001164981689 722126264 /nfs/dbraw/zinc/12/62/64/722126264.db2.gz UXGOQMAYYCWNNF-MSOLQXFVSA-N 0 1 387.915 2.869 20 0 GFADMN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cl ZINC001164981697 722126441 /nfs/dbraw/zinc/12/64/41/722126441.db2.gz UXGOQMAYYCWNNF-QZTJIDSGSA-N 0 1 387.915 2.869 20 0 GFADMN CC(=O)NC[C@@H]1CCCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000067412993 205246472 /nfs/dbraw/zinc/24/64/72/205246472.db2.gz WHQRLRQXKHAYSJ-SFHVURJKSA-N 0 1 377.504 2.801 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000435442461 563651023 /nfs/dbraw/zinc/65/10/23/563651023.db2.gz IQWZHWVYLLGAOH-LBPRGKRZSA-N 0 1 379.295 2.739 20 0 GFADMN CC1CCN(CCNS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000439247259 563720545 /nfs/dbraw/zinc/72/05/45/563720545.db2.gz NBNUBIMFEFCXGB-UHFFFAOYSA-N 0 1 379.295 2.598 20 0 GFADMN CCCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000007879707 551102064 /nfs/dbraw/zinc/10/20/64/551102064.db2.gz WCNOZCPGDIZEKC-NSHDSACASA-N 0 1 386.290 2.734 20 0 GFADMN O=C(Nc1ccc(I)cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000364299126 563749200 /nfs/dbraw/zinc/74/92/00/563749200.db2.gz YXSBWZYJEOFQEF-UHFFFAOYSA-N 0 1 397.220 2.821 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000029455322 551126781 /nfs/dbraw/zinc/12/67/81/551126781.db2.gz DVZOZMJRZFHEBC-UHFFFAOYSA-N 0 1 375.332 2.862 20 0 GFADMN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 ZINC000031669545 551130273 /nfs/dbraw/zinc/13/02/73/551130273.db2.gz UGLQUPFDVFSYOQ-UHFFFAOYSA-N 0 1 376.825 2.924 20 0 GFADMN CNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000033212428 551133187 /nfs/dbraw/zinc/13/31/87/551133187.db2.gz BYPGVVNCRWNYGX-OAHLLOKOSA-N 0 1 391.269 2.580 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCO)cc2)c(Cl)c1 ZINC000050533604 551160956 /nfs/dbraw/zinc/16/09/56/551160956.db2.gz UHWSQCQNMILRKO-UHFFFAOYSA-N 0 1 382.869 2.561 20 0 GFADMN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCN1CCN(C)CC1 ZINC000053718022 551167845 /nfs/dbraw/zinc/16/78/45/551167845.db2.gz ZZDMRFAVWBNCOV-UHFFFAOYSA-N 0 1 378.929 2.749 20 0 GFADMN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCN(CC2CC2)CC1 ZINC000055673269 551174325 /nfs/dbraw/zinc/17/43/25/551174325.db2.gz LLVUHFGTZOHXKF-UHFFFAOYSA-N 0 1 389.297 2.803 20 0 GFADMN Cc1c(NS(=O)(=O)c2cccc(Cl)c2Cl)cccc1S(N)(=O)=O ZINC000055650747 551174574 /nfs/dbraw/zinc/17/45/74/551174574.db2.gz QRQQLOQUGKIVOG-UHFFFAOYSA-N 0 1 395.289 2.750 20 0 GFADMN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000056017284 551175989 /nfs/dbraw/zinc/17/59/89/551175989.db2.gz CHHUJYDRUGXQLC-ZYHUDNBSSA-N 0 1 391.269 2.565 20 0 GFADMN CN1CCN(c2ccc(Br)cc2NC(=O)c2ccncc2)CC1 ZINC000057468767 551180343 /nfs/dbraw/zinc/18/03/43/551180343.db2.gz FMRTUVIMVGGDIN-UHFFFAOYSA-N 0 1 375.270 2.848 20 0 GFADMN O=S(=O)(/C=C/c1ccc(Br)cc1)NC1CCN(C2CC2)CC1 ZINC000066902409 551187863 /nfs/dbraw/zinc/18/78/63/551187863.db2.gz YZFOQONGJCMJTK-FMIVXFBMSA-N 0 1 385.327 2.966 20 0 GFADMN O=C(c1ccc(Br)c(F)c1)N1CCC(CN2CCOCC2)CC1 ZINC000068332686 551191254 /nfs/dbraw/zinc/19/12/54/551191254.db2.gz IEBMTLUEICYTCW-UHFFFAOYSA-N 0 1 385.277 2.773 20 0 GFADMN C[C@H]1CN(CCCNC(=O)NCc2ccc(Br)cc2)C[C@H](C)O1 ZINC000106524669 551199961 /nfs/dbraw/zinc/19/99/61/551199961.db2.gz XOWYHAOKEPYQJF-KBPBESRZSA-N 0 1 384.318 2.748 20 0 GFADMN CC(C)[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCN(C)CC1 ZINC000119479505 551216966 /nfs/dbraw/zinc/21/69/66/551216966.db2.gz QOXXXJXYLPECEH-MRXNPFEDSA-N 0 1 394.368 2.544 20 0 GFADMN NC(=O)c1cccc(CNCc2cc(Br)c3c(c2)OCCCO3)c1 ZINC000121223159 551229979 /nfs/dbraw/zinc/22/99/79/551229979.db2.gz ADAQVQGSAXDUEL-UHFFFAOYSA-N 0 1 391.265 2.999 20 0 GFADMN CCC[C@@H]1CN(CC(=O)Nc2ccccc2Br)CCN1CCOC ZINC000121714010 551240983 /nfs/dbraw/zinc/24/09/83/551240983.db2.gz QSBCDFAYXWYBHD-OAHLLOKOSA-N 0 1 398.345 2.820 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ncccc2I)c(F)c1 ZINC000121725409 551241005 /nfs/dbraw/zinc/24/10/05/551241005.db2.gz IKFSGDLFWBDEDC-UHFFFAOYSA-N 0 1 392.193 2.935 20 0 GFADMN CC(=O)C[C@@H]1COCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000121822208 551243464 /nfs/dbraw/zinc/24/34/64/551243464.db2.gz UVVFZZGTQASUSA-CYBMUJFWSA-N 0 1 392.253 2.659 20 0 GFADMN CC(C)CN(Cc1ccccc1Br)C[C@@H](O)CN1CCOCC1 ZINC000122549976 551299629 /nfs/dbraw/zinc/29/96/29/551299629.db2.gz APKOECLMVKCKIW-KRWDZBQOSA-N 0 1 385.346 2.600 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)Cc2cccc(I)c2)c1 ZINC000122561743 551300201 /nfs/dbraw/zinc/30/02/01/551300201.db2.gz FSVYRVUJORXZES-UHFFFAOYSA-N 0 1 395.244 2.929 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)n[nH]1 ZINC000124420230 551314069 /nfs/dbraw/zinc/31/40/69/551314069.db2.gz DHIMQRPSCWIUHP-GFCCVEGCSA-N 0 1 381.933 2.891 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1(O)CCCCC1 ZINC000128106424 551346356 /nfs/dbraw/zinc/34/63/56/551346356.db2.gz OVBJBXKJLAJTOJ-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1(O)CCCCC1 ZINC000128106424 551346359 /nfs/dbraw/zinc/34/63/59/551346359.db2.gz OVBJBXKJLAJTOJ-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN CCC(=O)N[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000130370104 551364320 /nfs/dbraw/zinc/36/43/20/551364320.db2.gz DDNINLLJKPXGFE-KBPBESRZSA-N 0 1 375.296 2.724 20 0 GFADMN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000132889603 551380376 /nfs/dbraw/zinc/38/03/76/551380376.db2.gz NYVXHSZPQTXXMX-UHFFFAOYSA-N 0 1 377.242 2.663 20 0 GFADMN O=C(Cc1ccc(O)cc1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000133572425 551383816 /nfs/dbraw/zinc/38/38/16/551383816.db2.gz OGNVLARLJLUJBM-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN O=C(Cc1ccc(O)cc1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000133572425 551383819 /nfs/dbraw/zinc/38/38/19/551383819.db2.gz OGNVLARLJLUJBM-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1cc(Br)c(=O)n(C)c1)c1cccs1 ZINC000136660525 551389839 /nfs/dbraw/zinc/38/98/39/551389839.db2.gz BDSXHPWGJAUTEE-LBPRGKRZSA-N 0 1 399.314 2.634 20 0 GFADMN O=C(CCCCc1cn[nH]n1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000139324994 551392222 /nfs/dbraw/zinc/39/22/22/551392222.db2.gz MYRQDNGGSDDIBZ-CQSZACIVSA-N 0 1 392.301 2.675 20 0 GFADMN Cc1ccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(Br)n1 ZINC000151449910 551413772 /nfs/dbraw/zinc/41/37/72/551413772.db2.gz UKXXPDWXSMXAFI-ZDUSSCGKSA-N 0 1 397.317 2.870 20 0 GFADMN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)NCc1ccc(Cl)s1 ZINC000152273794 551429477 /nfs/dbraw/zinc/42/94/77/551429477.db2.gz DNSWQLJSAPKVTK-GFCCVEGCSA-N 0 1 379.917 2.893 20 0 GFADMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)NCc1ccc(Cl)s1 ZINC000152273794 551429479 /nfs/dbraw/zinc/42/94/79/551429479.db2.gz DNSWQLJSAPKVTK-GFCCVEGCSA-N 0 1 379.917 2.893 20 0 GFADMN C[C@H](O)C[C@@H]1CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000152647023 551437580 /nfs/dbraw/zinc/43/75/80/551437580.db2.gz JLOLSQMMJJUCGY-AAEUAGOBSA-N 0 1 375.332 2.704 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)c3cc(C)ccc3Br)C2)CC1 ZINC000153100971 551446307 /nfs/dbraw/zinc/44/63/07/551446307.db2.gz MAQAZDNUAQMHOS-HNNXBMFYSA-N 0 1 380.330 2.610 20 0 GFADMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000153289514 551449953 /nfs/dbraw/zinc/44/99/53/551449953.db2.gz NHECDLRYKBKRCC-UHFFFAOYSA-N 0 1 384.193 2.814 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@H](C)N1 ZINC000154132216 551468237 /nfs/dbraw/zinc/46/82/37/551468237.db2.gz PEBIYFQFWHBKJU-RKDXNWHRSA-N 0 1 378.641 2.767 20 0 GFADMN CC[N@@H+](CCNC(=O)c1ccc(OC)cc1I)C1CC1 ZINC000154499408 551476565 /nfs/dbraw/zinc/47/65/65/551476565.db2.gz SOJOESVMNXDTFY-UHFFFAOYSA-N 0 1 388.249 2.514 20 0 GFADMN C[C@@H](C(=O)NC1CC1)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161897 551493088 /nfs/dbraw/zinc/49/30/88/551493088.db2.gz NGZCVMWWAKKIPR-LBPRGKRZSA-N 0 1 394.313 2.767 20 0 GFADMN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000155504336 551501573 /nfs/dbraw/zinc/50/15/73/551501573.db2.gz VATGOEZMEGEAKH-UHFFFAOYSA-N 0 1 376.469 2.713 20 0 GFADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000157226329 551535514 /nfs/dbraw/zinc/53/55/14/551535514.db2.gz VOCNTXJWVKYEDE-SUMWQHHRSA-N 0 1 384.929 2.690 20 0 GFADMN C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000158620571 551554494 /nfs/dbraw/zinc/55/44/94/551554494.db2.gz DMINAQRLXBVJTI-OAHLLOKOSA-N 0 1 382.346 2.696 20 0 GFADMN NC(=O)[C@@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000162229937 551605500 /nfs/dbraw/zinc/60/55/00/551605500.db2.gz YMXSOIIVBDUHJJ-SJCJKPOMSA-N 0 1 388.265 2.691 20 0 GFADMN COC(=O)c1cccc2nc(NC(=O)c3ccc(Br)cn3)[nH]c21 ZINC000162467911 551608472 /nfs/dbraw/zinc/60/84/72/551608472.db2.gz APUNPOKIRNVFQP-UHFFFAOYSA-N 0 1 375.182 2.759 20 0 GFADMN O=C(CSc1cccc(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000163697190 551621762 /nfs/dbraw/zinc/62/17/62/551621762.db2.gz LHCNZZHBWOXCRR-CQSZACIVSA-N 0 1 399.354 2.722 20 0 GFADMN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(Cl)cnc3N)cc2)n1 ZINC000164769755 551627162 /nfs/dbraw/zinc/62/71/62/551627162.db2.gz HGQFBKWJUPZVDE-UHFFFAOYSA-N 0 1 375.841 2.883 20 0 GFADMN O=C(CCc1ccccn1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171222381 551650421 /nfs/dbraw/zinc/65/04/21/551650421.db2.gz HXJLLFAJGJMRNS-UHFFFAOYSA-N 0 1 386.253 2.878 20 0 GFADMN O=C(CCc1ccccn1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171222381 551650422 /nfs/dbraw/zinc/65/04/22/551650422.db2.gz HXJLLFAJGJMRNS-UHFFFAOYSA-N 0 1 386.253 2.878 20 0 GFADMN COCc1cccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c1 ZINC000171333595 551653180 /nfs/dbraw/zinc/65/31/80/551653180.db2.gz HUNRXMMRLSMOOI-UHFFFAOYSA-N 0 1 378.841 2.868 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000171770176 551662701 /nfs/dbraw/zinc/66/27/01/551662701.db2.gz HCPYFUFKGGYRKO-INIZCTEOSA-N 0 1 399.248 2.639 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000171749520 551662723 /nfs/dbraw/zinc/66/27/23/551662723.db2.gz OSQUMZPWDQOQPH-LLVKDONJSA-N 0 1 376.835 2.699 20 0 GFADMN CC[C@H](C)CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000171950521 551667341 /nfs/dbraw/zinc/66/73/41/551667341.db2.gz OFIMYPMRIIXMIB-LBPRGKRZSA-N 0 1 375.922 2.507 20 0 GFADMN Cc1nn(C)c(C)c1CCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171957616 551667591 /nfs/dbraw/zinc/66/75/91/551667591.db2.gz 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C[C@@H](O)CN1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@H](C)C1 ZINC000192811416 552974782 /nfs/dbraw/zinc/97/47/82/552974782.db2.gz NPDQXHUQCKAQPJ-ZIAGYGMSSA-N 0 1 394.313 2.991 20 0 GFADMN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193278265 552988335 /nfs/dbraw/zinc/98/83/35/552988335.db2.gz KRIYJQFVWSXKHF-SSDOTTSWSA-N 0 1 390.130 2.890 20 0 GFADMN CC(C)(C)[C@@H](NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1)c1cccs1 ZINC000193735885 553001693 /nfs/dbraw/zinc/00/16/93/553001693.db2.gz FPWKIQSMLRQCAQ-LBPRGKRZSA-N 0 1 377.495 2.703 20 0 GFADMN COC[C@@H](NCCNS(=O)(=O)c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000194118648 553012124 /nfs/dbraw/zinc/01/21/24/553012124.db2.gz DHGOJDRGQDFASH-OAHLLOKOSA-N 0 1 388.942 2.966 20 0 GFADMN O=C(NCCOc1ncc(Cl)cc1Cl)c1n[nH]nc1-c1ccccc1 ZINC000194210311 553014791 /nfs/dbraw/zinc/01/47/91/553014791.db2.gz HDBBGBCBBBUPFP-UHFFFAOYSA-N 0 1 378.219 2.982 20 0 GFADMN CS(=O)(=O)c1nnc(CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)s1 ZINC000194539592 553023805 /nfs/dbraw/zinc/02/38/05/553023805.db2.gz 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ZINC000246417790 553107655 /nfs/dbraw/zinc/10/76/55/553107655.db2.gz FSBPVMNSOQWNOU-ZJUUUORDSA-N 0 1 393.292 2.549 20 0 GFADMN C[C@H](Oc1ccccc1Br)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246508467 553109526 /nfs/dbraw/zinc/10/95/26/553109526.db2.gz CJAJAYQPUYFTEK-KFWWJZLASA-N 0 1 399.329 2.832 20 0 GFADMN C[C@H](Oc1cccc(Br)c1)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246738746 553112266 /nfs/dbraw/zinc/11/22/66/553112266.db2.gz MUTPIHBDXIRHMO-ZNMIVQPWSA-N 0 1 399.329 2.832 20 0 GFADMN O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246913903 553115557 /nfs/dbraw/zinc/11/55/57/553115557.db2.gz YCOQFJCJWIRBGD-ZIAGYGMSSA-N 0 1 385.295 2.737 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000247010135 553117441 /nfs/dbraw/zinc/11/74/41/553117441.db2.gz WEABFAVKWRGFRU-OFQRWUPVSA-N 0 1 399.329 2.520 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@H](C)Oc2cccc(Br)c2)CCN1C[C@H](C)O ZINC000247010135 553117443 /nfs/dbraw/zinc/11/74/43/553117443.db2.gz WEABFAVKWRGFRU-OFQRWUPVSA-N 0 1 399.329 2.520 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(OC)c(Br)c2)C1 ZINC000247821050 553125758 /nfs/dbraw/zinc/12/57/58/553125758.db2.gz DAOBGFSUUBDWHJ-ZFWWWQNUSA-N 0 1 399.329 2.821 20 0 GFADMN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000248748746 553134574 /nfs/dbraw/zinc/13/45/74/553134574.db2.gz FTQNWTFNMWVNPV-MIFYACCESA-N 0 1 399.329 2.520 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000249398273 553142920 /nfs/dbraw/zinc/14/29/20/553142920.db2.gz SCEQPZOOVHPDSD-COXVUDFISA-N 0 1 395.341 2.856 20 0 GFADMN CCN(C[C@@H](O)C(F)(F)F)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000249492824 553143821 /nfs/dbraw/zinc/14/38/21/553143821.db2.gz YUILSWRUCIHYRC-GXFFZTMASA-N 0 1 375.309 2.690 20 0 GFADMN CCN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000249883387 553146755 /nfs/dbraw/zinc/14/67/55/553146755.db2.gz APKUQGHXRKRBKM-CVEARBPZSA-N 0 1 386.583 2.630 20 0 GFADMN Cc1ccc(S(=O)(=O)NC[C@@H]2NCCc3ccccc32)c(Br)c1 ZINC000261615962 553154102 /nfs/dbraw/zinc/15/41/02/553154102.db2.gz BQFCBCVKPCOEJL-INIZCTEOSA-N 0 1 395.322 2.923 20 0 GFADMN COc1cccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)c1OC ZINC000261677153 553156148 /nfs/dbraw/zinc/15/61/48/553156148.db2.gz GMWARCBADFDNOH-GOSISDBHSA-N 0 1 393.281 2.957 20 0 GFADMN Cc1noc(C)c1C[C@@H](C)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261837350 553160434 /nfs/dbraw/zinc/16/04/34/553160434.db2.gz UQLFBHLPIYHCDI-BMLIUANNSA-N 0 1 380.286 2.975 20 0 GFADMN Cc1noc(C2CCN(C(=O)[C@@](C)(N)c3ccc(Br)cc3)CC2)n1 ZINC000261867552 553161584 /nfs/dbraw/zinc/16/15/84/553161584.db2.gz XPEGPPPDBKAEJQ-KRWDZBQOSA-N 0 1 393.285 2.721 20 0 GFADMN NC1(c2noc(-c3n[nH]c4ccc(I)cc43)n2)CCC1 ZINC000262040570 553164884 /nfs/dbraw/zinc/16/48/84/553164884.db2.gz YHJFPFHSUPUAHX-UHFFFAOYSA-N 0 1 381.177 2.555 20 0 GFADMN Cc1cccc(S(=O)(=O)NC[C@H]2NCCc3ccccc32)c1Br ZINC000262271331 553168632 /nfs/dbraw/zinc/16/86/32/553168632.db2.gz KKRQNHMWDAWWDY-OAHLLOKOSA-N 0 1 395.322 2.923 20 0 GFADMN NCc1cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)co1 ZINC000262788347 553175686 /nfs/dbraw/zinc/17/56/86/553175686.db2.gz NDCYVKVQIHBIFU-LBPRGKRZSA-N 0 1 378.270 2.757 20 0 GFADMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799228 553176297 /nfs/dbraw/zinc/17/62/97/553176297.db2.gz QJGCTCGJXOQHKN-CBAPKCEASA-N 0 1 385.686 2.660 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263371007 553186753 /nfs/dbraw/zinc/18/67/53/553186753.db2.gz VIJRENBPIFYXMV-IPYPFGDCSA-N 0 1 397.313 2.839 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)c(Br)c1 ZINC000474571926 564281277 /nfs/dbraw/zinc/28/12/77/564281277.db2.gz CDVKJJIIZHOUMV-CYBMUJFWSA-N 0 1 375.332 2.909 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(I)c2)n[nH]1 ZINC000477321752 564373021 /nfs/dbraw/zinc/37/30/21/564373021.db2.gz LOUASXSMNOBZSS-SECBINFHSA-N 0 1 384.221 2.771 20 0 GFADMN COc1ccc(Br)cc1S(=O)(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000452096576 564391979 /nfs/dbraw/zinc/39/19/79/564391979.db2.gz OIVVCKAFKQJFLP-ZDUSSCGKSA-N 0 1 391.331 2.561 20 0 GFADMN COCCOC1(CN[C@@H](C)c2ncc(Br)s2)CCOCC1 ZINC000453254482 564450430 /nfs/dbraw/zinc/45/04/30/564450430.db2.gz ADHOTAHSOIAYDQ-NSHDSACASA-N 0 1 379.320 2.768 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2C)c(F)cc1Br ZINC000420739535 563281712 /nfs/dbraw/zinc/28/17/12/563281712.db2.gz PYFBEFXTYRMITP-LLVKDONJSA-N 0 1 379.295 2.611 20 0 GFADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3Cl)[C@@H]2C1 ZINC000425214158 563411833 /nfs/dbraw/zinc/41/18/33/563411833.db2.gz IQFCURHRZXVDLT-GXFFZTMASA-N 0 1 393.734 2.817 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414934 563491361 /nfs/dbraw/zinc/49/13/61/563491361.db2.gz SGCNJGWTHTXICZ-XPTSAGLGSA-N 0 1 393.734 2.864 20 0 GFADMN CCN(CCNS(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000380123784 563514239 /nfs/dbraw/zinc/51/42/39/563514239.db2.gz RJYWYEIGEOSPEW-UHFFFAOYSA-N 0 1 381.723 2.865 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000294760515 563216392 /nfs/dbraw/zinc/21/63/92/563216392.db2.gz YDTLMHCQFIOMCH-JTQLQIEISA-N 0 1 392.700 2.607 20 0 GFADMN O=C([C@@H]1CCCN1Cc1ccccc1)N1CCn2c(Br)cnc2C1 ZINC000277638412 563217890 /nfs/dbraw/zinc/21/78/90/563217890.db2.gz ZIRKBVVYWSWVRD-HNNXBMFYSA-N 0 1 389.297 2.652 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2cc[nH]c(=O)c2Br)n[nH]1 ZINC000277912635 563232321 /nfs/dbraw/zinc/23/23/21/563232321.db2.gz AZBKRPYXEWCTKA-DTWKUNHWSA-N 0 1 382.262 2.601 20 0 GFADMN CO[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000419213959 563235492 /nfs/dbraw/zinc/23/54/92/563235492.db2.gz JRDIJRGNQFROPP-IRXDYDNUSA-N 0 1 377.282 2.823 20 0 GFADMN COc1ccc(Br)cc1CC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370300960 563239260 /nfs/dbraw/zinc/23/92/60/563239260.db2.gz JTRRMZSSNFQLRZ-LLVKDONJSA-N 0 1 379.258 2.525 20 0 GFADMN Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1I ZINC000370339679 563240311 /nfs/dbraw/zinc/24/03/11/563240311.db2.gz AELASXGKRQUXJG-LLVKDONJSA-N 0 1 381.217 2.610 20 0 GFADMN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000295387166 563245185 /nfs/dbraw/zinc/24/51/85/563245185.db2.gz JLJIYHGKIBLXJC-VIFPVBQESA-N 0 1 375.372 2.711 20 0 GFADMN Cc1cc(Br)ccc1CN(C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370497432 563245612 /nfs/dbraw/zinc/24/56/12/563245612.db2.gz BWJCMJQTWVSOGS-KRWDZBQOSA-N 0 1 381.314 2.969 20 0 GFADMN CC(C)N1CCc2nc(CNc3ccc4c(c3)S(=O)(=O)CC4)sc2C1 ZINC000419761320 563250140 /nfs/dbraw/zinc/25/01/40/563250140.db2.gz BUKLOHGIMGBKQS-UHFFFAOYSA-N 0 1 377.535 2.852 20 0 GFADMN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(C3N=NC(=S)O3)CC2)c1 ZINC000370693635 563252508 /nfs/dbraw/zinc/25/25/08/563252508.db2.gz DCLJFXQBMQEDDL-UHFFFAOYSA-N 0 1 380.857 2.990 20 0 GFADMN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000420662831 563270463 /nfs/dbraw/zinc/27/04/63/563270463.db2.gz KFSWIBZJVKIUDS-JQWIXIFHSA-N 0 1 393.285 2.637 20 0 GFADMN CCc1nc(CNC(=O)Nc2ccc(I)cc2C)n[nH]1 ZINC000296102322 563274220 /nfs/dbraw/zinc/27/42/20/563274220.db2.gz GDXGDYARACAAMK-UHFFFAOYSA-N 0 1 385.209 2.602 20 0 GFADMN CC(C)(C)[C@H](CO)NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000278932678 563276689 /nfs/dbraw/zinc/27/66/89/563276689.db2.gz XKNYKCAVSZYKDG-LBPRGKRZSA-N 0 1 377.798 2.831 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1Br ZINC000278982852 563279109 /nfs/dbraw/zinc/27/91/09/563279109.db2.gz HXGYAUHLOQHYSH-SECBINFHSA-N 0 1 389.294 2.720 20 0 GFADMN Cc1nn(C)c(CNCCNc2nccc(C(F)(F)F)n2)c1Br ZINC000279034894 563281243 /nfs/dbraw/zinc/28/12/43/563281243.db2.gz BVZNBTKBAPONCQ-UHFFFAOYSA-N 0 1 393.211 2.502 20 0 GFADMN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1CC[C@H]1CCOC1=O ZINC000371892057 563290630 /nfs/dbraw/zinc/29/06/30/563290630.db2.gz QQKVASCOQWKCTE-WFASDCNBSA-N 0 1 381.270 2.805 20 0 GFADMN CCS(=O)(=O)NCCCN1CCC[C@@H]1Cc1ccccc1Br ZINC000420971786 563292265 /nfs/dbraw/zinc/29/22/65/563292265.db2.gz KVBHHZNBAMUIAH-OAHLLOKOSA-N 0 1 389.359 2.785 20 0 GFADMN 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O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1CCc2nn[nH]c2C1 ZINC000285389965 563517942 /nfs/dbraw/zinc/51/79/42/563517942.db2.gz ZXLAMPAHKGPIBB-SRVKXCTJSA-N 0 1 393.260 2.874 20 0 GFADMN CCCN1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000389969536 563522453 /nfs/dbraw/zinc/52/24/53/563522453.db2.gz HIOPQFGRALNVDF-SNVBAGLBSA-N 0 1 381.723 2.865 20 0 GFADMN CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000330824835 563522611 /nfs/dbraw/zinc/52/26/11/563522611.db2.gz FFGDFXMKTVVLGF-KGLIPLIRSA-N 0 1 386.945 2.917 20 0 GFADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000429814027 563523495 /nfs/dbraw/zinc/52/34/95/563523495.db2.gz KUHPCGNVWBXCHQ-KOLCDFICSA-N 0 1 381.723 2.864 20 0 GFADMN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@](O)(C(F)(F)F)C1 ZINC000330861775 563524794 /nfs/dbraw/zinc/52/47/94/563524794.db2.gz LRFCFQFJZODVSU-TZMCWYRMSA-N 0 1 398.219 2.578 20 0 GFADMN C[C@H](CNC(=O)c1cc(F)c(Br)c(Cl)c1)N1CCN(C)CC1 ZINC000285605668 563528949 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CCN(CC)S(=O)(=O)CCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000482642299 564547092 /nfs/dbraw/zinc/54/70/92/564547092.db2.gz AZGNCCABBAKMRN-GFCCVEGCSA-N 0 1 380.457 2.619 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000571397314 564549295 /nfs/dbraw/zinc/54/92/95/564549295.db2.gz DHUIMZUBRIVKAC-YJBOKZPZSA-N 0 1 380.535 2.866 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000455440374 564554690 /nfs/dbraw/zinc/55/46/90/564554690.db2.gz YHECTRHRWQLXIZ-GFCCVEGCSA-N 0 1 397.317 2.757 20 0 GFADMN Cc1cc(I)cc(NC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000455440308 564554730 /nfs/dbraw/zinc/55/47/30/564554730.db2.gz TZPRGHOHBICKMO-UHFFFAOYSA-N 0 1 397.220 2.917 20 0 GFADMN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000518574075 564556803 /nfs/dbraw/zinc/55/68/03/564556803.db2.gz LZFVMNFMHOZZAB-LBPRGKRZSA-N 0 1 383.286 2.923 20 0 GFADMN C[C@@H]1C[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000518549293 564557062 /nfs/dbraw/zinc/55/70/62/564557062.db2.gz WSBHBQQAJXBNSJ-MEBBXXQBSA-N 0 1 380.293 2.810 20 0 GFADMN C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@]1(C)C(=O)[O-] ZINC000518549293 564557067 /nfs/dbraw/zinc/55/70/67/564557067.db2.gz WSBHBQQAJXBNSJ-MEBBXXQBSA-N 0 1 380.293 2.810 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccs1 ZINC000518954103 564565931 /nfs/dbraw/zinc/56/59/31/564565931.db2.gz HCCHHRXJUFLBMN-LBPRGKRZSA-N 0 1 395.380 2.839 20 0 GFADMN Cc1ccc(F)c(Br)c1NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000455692904 564565979 /nfs/dbraw/zinc/56/59/79/564565979.db2.gz KTZMVQJPTCMXHM-RYUDHWBXSA-N 0 1 388.281 2.815 20 0 GFADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000571856399 564570032 /nfs/dbraw/zinc/57/00/32/564570032.db2.gz CEYHDEDPIKWIFD-HOTGVXAUSA-N 0 1 379.869 2.522 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CCN1CC(C)(C)O ZINC000571883148 564570787 /nfs/dbraw/zinc/57/07/87/564570787.db2.gz FLYZGUDLEUXZBM-CXAGYDPISA-N 0 1 395.341 2.783 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)cc(C)c2Br)C1 ZINC000455798047 564571391 /nfs/dbraw/zinc/57/13/91/564571391.db2.gz WIFLOLXPCYPHQK-UHFFFAOYSA-N 0 1 383.286 2.733 20 0 GFADMN O=S(=O)(c1cc(Br)ccc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000519374180 564576119 /nfs/dbraw/zinc/57/61/19/564576119.db2.gz LXOWZIJFTZDSJS-CYBMUJFWSA-N 0 1 391.306 2.837 20 0 GFADMN O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000571995429 564576438 /nfs/dbraw/zinc/57/64/38/564576438.db2.gz ONSUAYPVCTXCLG-LBPRGKRZSA-N 0 1 390.285 2.798 20 0 GFADMN C[C@H]1[C@H](C)N(Cc2nc(Cc3cccc(Br)c3)no2)CCN1C ZINC000519557200 564580886 /nfs/dbraw/zinc/58/08/86/564580886.db2.gz JOLSAVKWPVHOLM-STQMWFEESA-N 0 1 379.302 2.947 20 0 GFADMN O=C1C[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)[C@H]2CCCCN12 ZINC000548972948 564582319 /nfs/dbraw/zinc/58/23/19/564582319.db2.gz SFKUPSIOLAIAJQ-DLBZAZTESA-N 0 1 389.297 2.878 20 0 GFADMN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cccc(Br)c1O)C[C@H](C)O2 ZINC000572322127 564589872 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O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(Br)c1O ZINC000520737763 564610972 /nfs/dbraw/zinc/61/09/72/564610972.db2.gz OBEPRXKWUHNVGD-OAHLLOKOSA-N 0 1 389.249 2.686 20 0 GFADMN O=S(=O)(c1cccs1)N1CC[C@H](CNc2nc(C3CCCC3)ns2)C1 ZINC000520828210 564614633 /nfs/dbraw/zinc/61/46/33/564614633.db2.gz LQVSFTYBZUEEKY-GFCCVEGCSA-N 0 1 398.579 2.802 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485445674 564615670 /nfs/dbraw/zinc/61/56/70/564615670.db2.gz YVVAWUAGOHWDRX-NSHDSACASA-N 0 1 381.723 2.865 20 0 GFADMN C[C@@]1(n2cc(CNCc3cc4ccccc4s3)cn2)CCS(=O)(=O)C1 ZINC000550226867 564618520 /nfs/dbraw/zinc/61/85/20/564618520.db2.gz XEBXCBLRBJULMK-GOSISDBHSA-N 0 1 375.519 2.921 20 0 GFADMN CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000550379721 564622413 /nfs/dbraw/zinc/62/24/13/564622413.db2.gz ZWYNIBXSDBZMHC-RBSFLKMASA-N 0 1 383.583 2.600 20 0 GFADMN Brc1ccc2nc(CN3CCO[C@H](COCC4CC4)C3)[nH]c2c1 ZINC000485868509 564629095 /nfs/dbraw/zinc/62/90/95/564629095.db2.gz AMCGRTJXVUKCEE-AWEZNQCLSA-N 0 1 380.286 2.953 20 0 GFADMN O=C([C@H]1CC[N@H+](Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000573249246 564629992 /nfs/dbraw/zinc/62/99/92/564629992.db2.gz BJYKHXHIXGWCBL-AWEZNQCLSA-N 0 1 379.298 2.828 20 0 GFADMN O=C([C@H]1CCN(Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000573249246 564629995 /nfs/dbraw/zinc/62/99/95/564629995.db2.gz BJYKHXHIXGWCBL-AWEZNQCLSA-N 0 1 379.298 2.828 20 0 GFADMN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000456726971 564630288 /nfs/dbraw/zinc/63/02/88/564630288.db2.gz RJXDWRRINKVCPA-KSSFIOAISA-N 0 1 395.341 2.652 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000521691864 564633793 /nfs/dbraw/zinc/63/37/93/564633793.db2.gz ZBFABNUXBMYVAR-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN O=C(N[C@@H]1CC[S@](=O)C1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000573422435 564637591 /nfs/dbraw/zinc/63/75/91/564637591.db2.gz HMQMHMBGYRNYEK-ZIBDJOFNSA-N 0 1 380.901 2.974 20 0 GFADMN Cc1c(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2n1C ZINC000551108272 564638184 /nfs/dbraw/zinc/63/81/84/564638184.db2.gz OOMBOKGUJRDKLW-UHFFFAOYSA-N 0 1 378.475 2.691 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)c2ccc(F)cc2Br)CC1 ZINC000456909423 564638332 /nfs/dbraw/zinc/63/83/32/564638332.db2.gz YUCJDGYLAMKGLE-UHFFFAOYSA-N 0 1 386.309 2.734 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1Cl)N(C)C1CC1 ZINC000551147467 564639130 /nfs/dbraw/zinc/63/91/30/564639130.db2.gz CXESVVVRPDTUEQ-VIFPVBQESA-N 0 1 381.723 2.864 20 0 GFADMN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457020163 564643498 /nfs/dbraw/zinc/64/34/98/564643498.db2.gz BYDZFBHFOJXNRX-ZDUSSCGKSA-N 0 1 393.285 2.589 20 0 GFADMN CN(C(=O)Cn1cc(Br)cn1)C1CCN(CCC(F)(F)F)CC1 ZINC000457092300 564646159 /nfs/dbraw/zinc/64/61/59/564646159.db2.gz XBEZNRNDDVFJFL-UHFFFAOYSA-N 0 1 397.239 2.521 20 0 GFADMN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1CCCC[C@H]1O ZINC000573729383 564651233 /nfs/dbraw/zinc/65/12/33/564651233.db2.gz FXEQWOHDINPGHK-UKRRQHHQSA-N 0 1 389.359 3.000 20 0 GFADMN COCCOC[C@@H]1CCN(Cc2cccc(I)c2)C1 ZINC000551558887 564655556 /nfs/dbraw/zinc/65/55/56/564655556.db2.gz PEIWYRSERUPVOU-CQSZACIVSA-N 0 1 375.250 2.776 20 0 GFADMN Cc1nccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl ZINC000486569424 564656564 /nfs/dbraw/zinc/65/65/64/564656564.db2.gz XDAFMDCSXXWOSX-UHFFFAOYSA-N 0 1 379.913 2.978 20 0 GFADMN Cc1noc([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C2CCOCC2)n1 ZINC000551887293 564666825 /nfs/dbraw/zinc/66/68/25/564666825.db2.gz LFZMAMOHZRLNJJ-LBPRGKRZSA-N 0 1 377.875 2.539 20 0 GFADMN Cc1c([C@@H](C)NC(=O)NCc2nc3cccc(Br)c3[nH]2)cnn1C ZINC000457794384 564673005 /nfs/dbraw/zinc/67/30/05/564673005.db2.gz KHSJCWQUSJRPLQ-SECBINFHSA-N 0 1 391.273 2.928 20 0 GFADMN O=C([C@@H]1CCCCN1CCOc1ccc(Br)cc1)N1CCOCC1 ZINC000524309767 564680358 /nfs/dbraw/zinc/68/03/58/564680358.db2.gz GQFLMSCZLUWJCK-KRWDZBQOSA-N 0 1 397.313 2.541 20 0 GFADMN CN(C)c1cccnc1CNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000574631710 564682626 /nfs/dbraw/zinc/68/26/26/564682626.db2.gz OQGNJTRACLAMLU-CQSZACIVSA-N 0 1 398.276 2.579 20 0 GFADMN COc1ccnc(N2CCN(C(=O)c3ccccc3Br)CC2)c1 ZINC000524589639 564683428 /nfs/dbraw/zinc/68/34/28/564683428.db2.gz SNSHLFIELPNJFA-UHFFFAOYSA-N 0 1 376.254 2.815 20 0 GFADMN COc1ccc(CCC(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1Br ZINC000574686232 564684273 /nfs/dbraw/zinc/68/42/73/564684273.db2.gz OOGIAXJHBOGMPS-GFCCVEGCSA-N 0 1 379.258 2.525 20 0 GFADMN COc1ccc(Br)cc1CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458020271 564684328 /nfs/dbraw/zinc/68/43/28/564684328.db2.gz JQNWFGZPHXTRFK-UHFFFAOYSA-N 0 1 381.274 2.732 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@H](C)Cc2cccc(O)c2)sc1Br ZINC000552460727 564692367 /nfs/dbraw/zinc/69/23/67/564692367.db2.gz PTYOCRBFCSSGSH-MRVPVSSYSA-N 0 1 391.312 2.829 20 0 GFADMN CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C(O)Nc1nc(C)ns1 ZINC000525261645 564697062 /nfs/dbraw/zinc/69/70/62/564697062.db2.gz ACKXLAPHXOZPJN-MRVPVSSYSA-N 0 1 395.535 2.856 20 0 GFADMN CCC[C@H](CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)OC ZINC000458421127 564700741 /nfs/dbraw/zinc/70/07/41/564700741.db2.gz INMPWAIBVRNLEG-CYBMUJFWSA-N 0 1 396.289 2.849 20 0 GFADMN CCC[C@H](CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)OC ZINC000458421127 564700744 /nfs/dbraw/zinc/70/07/44/564700744.db2.gz INMPWAIBVRNLEG-CYBMUJFWSA-N 0 1 396.289 2.849 20 0 GFADMN CCSCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000576236544 564709113 /nfs/dbraw/zinc/70/91/13/564709113.db2.gz RJUBEWDAKWCQHR-CABCVRRESA-N 0 1 383.583 2.649 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC(=O)C1 ZINC000576230046 564709264 /nfs/dbraw/zinc/70/92/64/564709264.db2.gz NDVLPJWIYHMEGF-QWHCGFSZSA-N 0 1 394.313 2.897 20 0 GFADMN Cc1ncc(C(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)[nH]1 ZINC000553151173 564710987 /nfs/dbraw/zinc/71/09/87/564710987.db2.gz BWISOJDVZIMNMD-UHFFFAOYSA-N 0 1 378.230 2.613 20 0 GFADMN COc1cc(Br)ccc1CNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458677684 564711588 /nfs/dbraw/zinc/71/15/88/564711588.db2.gz PQVLEVFKLUWSQN-UHFFFAOYSA-N 0 1 396.289 2.873 20 0 GFADMN CCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1C ZINC000526085203 564719956 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SDPPJLSUXFPGPH-ZBFHGGJFSA-N 0 1 384.929 2.769 20 0 GFADMN CCCN1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)C1 ZINC000660026675 565240803 /nfs/dbraw/zinc/24/08/03/565240803.db2.gz IRYFXOJDIJAUTI-OAHLLOKOSA-N 0 1 390.933 2.518 20 0 GFADMN COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c(Br)c1 ZINC000639715176 565257057 /nfs/dbraw/zinc/25/70/57/565257057.db2.gz ZFKJYHOTIDWGDJ-LLVKDONJSA-N 0 1 380.242 2.648 20 0 GFADMN CSc1ccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 ZINC000660151174 565260602 /nfs/dbraw/zinc/26/06/02/565260602.db2.gz PSHKYNBVCRUJII-OAHLLOKOSA-N 0 1 384.567 2.672 20 0 GFADMN CCN1C[C@H](C)N(CC(=O)c2c[nH]c3ncc(Br)cc23)C[C@H]1C ZINC000660156015 565260900 /nfs/dbraw/zinc/26/09/00/565260900.db2.gz POICMQBEADSHDX-NEPJUHHUSA-N 0 1 379.302 2.923 20 0 GFADMN CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639810853 565263378 /nfs/dbraw/zinc/26/33/78/565263378.db2.gz LJXANYFAGZWFOT-LLVKDONJSA-N 0 1 375.416 2.838 20 0 GFADMN COCc1nc(CNC(=O)CCc2cc(Cl)ccc2Br)n[nH]1 ZINC000617936273 565268010 /nfs/dbraw/zinc/26/80/10/565268010.db2.gz FKBBOTJDJGWISA-UHFFFAOYSA-N 0 1 387.665 2.616 20 0 GFADMN COCc1nnc(CNC(=O)CCc2cc(Cl)ccc2Br)[nH]1 ZINC000617936273 565268015 /nfs/dbraw/zinc/26/80/15/565268015.db2.gz FKBBOTJDJGWISA-UHFFFAOYSA-N 0 1 387.665 2.616 20 0 GFADMN CC(C)(C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404766 565273473 /nfs/dbraw/zinc/27/34/73/565273473.db2.gz NDDBOQYFUKMJOZ-IRXDYDNUSA-N 0 1 395.341 2.784 20 0 GFADMN OC[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000640040881 565276307 /nfs/dbraw/zinc/27/63/07/565276307.db2.gz KGWXIXHVTFAMKU-HBNTYKKESA-N 0 1 388.213 2.836 20 0 GFADMN CN(CC1CN(C)C1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000618195934 565279510 /nfs/dbraw/zinc/27/95/10/565279510.db2.gz APZUIADHAWTVQL-UHFFFAOYSA-N 0 1 379.913 2.938 20 0 GFADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC1CN(C)C1 ZINC000618196204 565279835 /nfs/dbraw/zinc/27/98/35/565279835.db2.gz NKGXRLPSUNVWIJ-SNVBAGLBSA-N 0 1 375.694 2.890 20 0 GFADMN C[C@@H](NC(=O)CN[C@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217783 565287929 /nfs/dbraw/zinc/28/79/29/565287929.db2.gz QEUWKGFKSUXFNE-DOMZBBRYSA-N 0 1 377.286 2.948 20 0 GFADMN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710148 565290989 /nfs/dbraw/zinc/29/09/89/565290989.db2.gz PCYLCWDVPDPFND-STQMWFEESA-N 0 1 384.933 2.881 20 0 GFADMN O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCC(c2cnc[nH]2)CC1 ZINC000640294297 565294737 /nfs/dbraw/zinc/29/47/37/565294737.db2.gz BRZVSNYJCZTDLN-UHFFFAOYSA-N 0 1 376.770 3.233 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592793787 565296059 /nfs/dbraw/zinc/29/60/59/565296059.db2.gz KQCBFTIXBSBTBD-LLVKDONJSA-N 0 1 384.958 2.891 20 0 GFADMN O=C(N[C@H](CO)CN1CCCC1)c1sc2ccccc2c1Br ZINC000640322828 565301575 /nfs/dbraw/zinc/30/15/75/565301575.db2.gz XSCOUVCRELEKAB-NSHDSACASA-N 0 1 383.311 2.850 20 0 GFADMN O[C@H](COC[C@@H]1CCCO1)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466603 565301696 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COc1cc(CS(=O)(=O)N[C@@H](CCc2ccccc2)C(F)F)sn1 ZINC000641628152 565388457 /nfs/dbraw/zinc/38/84/57/565388457.db2.gz FYFPHDUZOVQQAQ-ZDUSSCGKSA-N 0 1 376.450 2.838 20 0 GFADMN C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccccc1)n1cc(Br)cn1 ZINC000620781775 565396393 /nfs/dbraw/zinc/39/63/93/565396393.db2.gz MKEYJOZBLPAVSC-WMLDXEAASA-N 0 1 391.313 2.987 20 0 GFADMN CN(CCCN1C(=O)NC(C)(C)C1=O)Cc1cc(Br)ccc1F ZINC000621276287 565414562 /nfs/dbraw/zinc/41/45/62/565414562.db2.gz YRSYVMGYVHWVEQ-UHFFFAOYSA-N 0 1 386.265 2.741 20 0 GFADMN COc1cc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)c(Br)cn1 ZINC000621301055 565417202 /nfs/dbraw/zinc/41/72/02/565417202.db2.gz HSIXYJJTMUNQOE-UHFFFAOYSA-N 0 1 394.313 2.623 20 0 GFADMN CNS(=O)(=O)CCN[C@@H]1CCCSc2ccc(Br)cc21 ZINC000663443716 565421505 /nfs/dbraw/zinc/42/15/05/565421505.db2.gz FZCGLEAAIZYXLR-GFCCVEGCSA-N 0 1 379.345 2.515 20 0 GFADMN C[C@H](Cn1cncn1)NCc1cc(Cl)ccc1I ZINC000594917717 565435575 /nfs/dbraw/zinc/43/55/75/565435575.db2.gz MNDRHMWYRXJLEX-SECBINFHSA-N 0 1 376.629 2.714 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382.512 2.727 20 0 GFADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000735773106 599108444 /nfs/dbraw/zinc/10/84/44/599108444.db2.gz WCDJXZAUQKVGFT-CRAIPNDOSA-N 0 1 393.495 2.757 20 0 GFADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000735773106 599108445 /nfs/dbraw/zinc/10/84/45/599108445.db2.gz WCDJXZAUQKVGFT-CRAIPNDOSA-N 0 1 393.495 2.757 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000818071779 597120426 /nfs/dbraw/zinc/12/04/26/597120426.db2.gz ZMXXFIVCMIUIJZ-HOTGVXAUSA-N 0 1 375.469 2.798 20 0 GFADMN Fc1cccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nnn[n-]1 ZINC000737662665 599267721 /nfs/dbraw/zinc/26/77/21/599267721.db2.gz CRYHTVOISWVKNG-JTQLQIEISA-N 0 1 386.460 2.550 20 0 GFADMN Fc1cccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1-c1nn[n-]n1 ZINC000737662665 599267723 /nfs/dbraw/zinc/26/77/23/599267723.db2.gz CRYHTVOISWVKNG-JTQLQIEISA-N 0 1 386.460 2.550 20 0 GFADMN CC(=O)NCC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)[C@H](C)C(=O)[O-] ZINC000819769887 597678594 /nfs/dbraw/zinc/67/85/94/597678594.db2.gz CLWUVHPIHYVEDC-CQSZACIVSA-N 0 1 388.464 2.636 20 0 GFADMN Cn1cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000821288098 598151381 /nfs/dbraw/zinc/15/13/81/598151381.db2.gz ZKBAGQNDSZJVGL-HNNXBMFYSA-N 0 1 385.464 2.935 20 0 GFADMN CCCN(CCOc1ccccc1-c1nn[nH]n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000736481709 598251446 /nfs/dbraw/zinc/25/14/46/598251446.db2.gz ZQQPCQXFYHGMOS-MRXNPFEDSA-N 0 1 394.479 2.985 20 0 GFADMN Cc1csc(N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)C[C@H]2C)n1 ZINC000737453543 598365376 /nfs/dbraw/zinc/36/53/76/598365376.db2.gz XAXOUFZGPQRXAS-CQSZACIVSA-N 0 1 394.508 2.595 20 0 GFADMN Cc1ccccc1C1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737421508 598405564 /nfs/dbraw/zinc/40/55/64/598405564.db2.gz JTPWVRAKSJUGGG-UHFFFAOYSA-N 0 1 376.464 2.993 20 0 GFADMN O=C(Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)c1ncccc1O ZINC000738172431 598556836 /nfs/dbraw/zinc/55/68/36/598556836.db2.gz LLYMPCLXCUSXOE-UHFFFAOYSA-N 0 1 388.387 2.799 20 0 GFADMN O=C(CC1CCCC1)NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737812577 598558892 /nfs/dbraw/zinc/55/88/92/598558892.db2.gz FZRPGIUNZBWGBO-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN CCOc1ccc(OCCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000736651112 598719523 /nfs/dbraw/zinc/71/95/23/598719523.db2.gz LSXZDOBYYYCZAQ-UHFFFAOYSA-N 0 1 377.404 2.659 20 0 GFADMN CC(C)CCc1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000735819602 598720784 /nfs/dbraw/zinc/72/07/84/598720784.db2.gz ZGNUPUPEUHSTHN-UHFFFAOYSA-N 0 1 399.842 2.855 20 0 GFADMN COc1cccc([C@H](C)N2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000737120901 598768338 /nfs/dbraw/zinc/76/83/38/598768338.db2.gz JNFOVZMQUDYQEM-HNNXBMFYSA-N 0 1 396.470 2.893 20 0 GFADMN CC[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736327156 598785114 /nfs/dbraw/zinc/78/51/14/598785114.db2.gz PBXNYNSJKJMPPD-NSHDSACASA-N 0 1 386.412 2.673 20 0 GFADMN O=S(=O)(Nc1ccc(F)c(Br)c1)c1ccccc1-c1nn[nH]n1 ZINC000823589252 599307825 /nfs/dbraw/zinc/30/78/25/599307825.db2.gz VQOHEFPEPCIZHK-UHFFFAOYSA-N 0 1 398.217 2.569 20 0 GFADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820456143 599368587 /nfs/dbraw/zinc/36/85/87/599368587.db2.gz QKTJZGAROBLQRK-INIZCTEOSA-N 0 1 378.480 2.915 20 0 GFADMN CC[C@@H](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870518 599455360 /nfs/dbraw/zinc/45/53/60/599455360.db2.gz UGYFMPGTAITWIN-SJORKVTESA-N 0 1 399.543 2.909 20 0 GFADMN CCc1nc(CN2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736703736 599580851 /nfs/dbraw/zinc/58/08/51/599580851.db2.gz GDJVOBGHCZTSKX-AWEZNQCLSA-N 0 1 383.525 2.764 20 0 GFADMN CN(C[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821596481 599591017 /nfs/dbraw/zinc/59/10/17/599591017.db2.gz LGEBASIRNODITE-HNNXBMFYSA-N 0 1 390.463 2.837 20 0 GFADMN CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000736422541 599704099 /nfs/dbraw/zinc/70/40/99/599704099.db2.gz RNRUXNLNYLJIBM-IBGZPJMESA-N 0 1 375.513 2.836 20 0 GFADMN CN(CCCC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C(=O)[O-] ZINC000737421292 599736289 /nfs/dbraw/zinc/73/62/89/599736289.db2.gz FSKIJGXCBKLHSA-SFHVURJKSA-N 0 1 375.513 2.966 20 0 GFADMN CC(C)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000650504580 599754767 /nfs/dbraw/zinc/75/47/67/599754767.db2.gz SYMBTVLSOUOONO-HRAATJIYSA-N 0 1 390.480 2.600 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738516755 599785552 /nfs/dbraw/zinc/78/55/52/599785552.db2.gz BARZFQQUCOSRTB-HZPDHXFCSA-N 0 1 389.496 2.504 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738516755 599785553 /nfs/dbraw/zinc/78/55/53/599785553.db2.gz BARZFQQUCOSRTB-HZPDHXFCSA-N 0 1 389.496 2.504 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])co2)cc1 ZINC000737088356 599847054 /nfs/dbraw/zinc/84/70/54/599847054.db2.gz KVBXWVLHICADMV-ZDUSSCGKSA-N 0 1 380.466 2.859 20 0 GFADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000739604327 599912981 /nfs/dbraw/zinc/91/29/81/599912981.db2.gz LBFZJPDTHWFKJM-FXAWDEMLSA-N 0 1 380.444 2.777 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000738275615 599935607 /nfs/dbraw/zinc/93/56/07/599935607.db2.gz SDSOXZBWIHTBNP-NVXWUHKLSA-N 0 1 388.489 2.807 20 0 GFADMN Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)c1 ZINC000738332366 599975727 /nfs/dbraw/zinc/97/57/27/599975727.db2.gz RHAHAGVMVIQTIS-AWEZNQCLSA-N 0 1 376.482 2.844 20 0 GFADMN Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)c1 ZINC000738332366 599975729 /nfs/dbraw/zinc/97/57/29/599975729.db2.gz RHAHAGVMVIQTIS-AWEZNQCLSA-N 0 1 376.482 2.844 20 0 GFADMN O=C([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000740136824 600016950 /nfs/dbraw/zinc/01/69/50/600016950.db2.gz RBFIZLADPMPYPD-LJQANCHMSA-N 0 1 394.537 2.849 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000821749812 607414397 /nfs/dbraw/zinc/41/43/97/607414397.db2.gz ZAVDWVCZDUQDDL-UHFFFAOYSA-N 0 1 390.403 2.931 20 0 GFADMN Cc1onc2c1c(C(=O)[O-])nn(C[NH2+]C1(c3ccc(F)cc3)CCCC1)c2=O ZINC000738989803 600033268 /nfs/dbraw/zinc/03/32/68/600033268.db2.gz GUPAGRXQDBZACL-UHFFFAOYSA-N 0 1 386.383 2.547 20 0 GFADMN CC(C)C[NH+]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000327076412 600081295 /nfs/dbraw/zinc/08/12/95/600081295.db2.gz LQXGGFYEYRUSPA-UHFFFAOYSA-N 0 1 382.507 2.562 20 0 GFADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000739248987 600090170 /nfs/dbraw/zinc/09/01/70/600090170.db2.gz PNROKDIGCCLRDX-UHFFFAOYSA-N 0 1 395.459 2.566 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000737680497 600094496 /nfs/dbraw/zinc/09/44/96/600094496.db2.gz GELVWWFOOCKQQZ-AWEZNQCLSA-N 0 1 396.443 2.947 20 0 GFADMN Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000738844424 600111754 /nfs/dbraw/zinc/11/17/54/600111754.db2.gz LWNHOWXMUHNGSP-SUMWQHHRSA-N 0 1 387.505 2.791 20 0 GFADMN Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000738844424 600111755 /nfs/dbraw/zinc/11/17/55/600111755.db2.gz LWNHOWXMUHNGSP-SUMWQHHRSA-N 0 1 387.505 2.791 20 0 GFADMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000737487042 600116199 /nfs/dbraw/zinc/11/61/99/600116199.db2.gz SJSIRLZAQKNJCY-CVEARBPZSA-N 0 1 384.398 2.849 20 0 GFADMN CC[C@]([NH2+]CC(=O)NCCc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000736919093 600130520 /nfs/dbraw/zinc/13/05/20/600130520.db2.gz XQVNPRYHYBMJCY-HXUWFJFHSA-N 0 1 376.403 2.603 20 0 GFADMN C[NH+](C)[C@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737362642 600179248 /nfs/dbraw/zinc/17/92/48/600179248.db2.gz XREUFHXGQUVSIY-QAPCUYQASA-N 0 1 390.867 2.708 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000737168333 600182254 /nfs/dbraw/zinc/18/22/54/600182254.db2.gz SUWHHDIWVXDXJC-CRAIPNDOSA-N 0 1 377.485 2.572 20 0 GFADMN C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737412708 600211785 /nfs/dbraw/zinc/21/17/85/600211785.db2.gz VRTUBODBOREOIG-OAQYLSRUSA-N 0 1 399.466 2.622 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736763253 600226523 /nfs/dbraw/zinc/22/65/23/600226523.db2.gz VHWIKIYHTIDWBG-RVKKMQEKSA-N 0 1 380.510 2.552 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736788681 600233943 /nfs/dbraw/zinc/23/39/43/600233943.db2.gz GMXQPYWPROQNTK-AEFFLSMTSA-N 0 1 394.537 2.801 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000736178361 600272631 /nfs/dbraw/zinc/27/26/31/600272631.db2.gz FJGXIXUOYGUVHF-INIZCTEOSA-N 0 1 384.432 2.584 20 0 GFADMN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(=O)n2ccsc2n1 ZINC000739720053 600327731 /nfs/dbraw/zinc/32/77/31/600327731.db2.gz 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Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)c1C(=O)[O-] ZINC000738233072 600433405 /nfs/dbraw/zinc/43/34/05/600433405.db2.gz ABCLAIMKYKGSGM-CABCVRRESA-N 0 1 395.463 2.823 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)c1C(=O)[O-] ZINC000738233072 600433406 /nfs/dbraw/zinc/43/34/06/600433406.db2.gz ABCLAIMKYKGSGM-CABCVRRESA-N 0 1 395.463 2.823 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000737407670 600448006 /nfs/dbraw/zinc/44/80/06/600448006.db2.gz DHSXHMNHNVKWEG-OAQYLSRUSA-N 0 1 398.503 2.721 20 0 GFADMN CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000737407670 600448007 /nfs/dbraw/zinc/44/80/07/600448007.db2.gz DHSXHMNHNVKWEG-OAQYLSRUSA-N 0 1 398.503 2.721 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736994702 600468920 /nfs/dbraw/zinc/46/89/20/600468920.db2.gz IGDDKVKGQHFVBE-AWEZNQCLSA-N 0 1 395.887 2.748 20 0 GFADMN 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20 0 GFADMN CC(C)OCc1c2ccccc2oc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000827034039 601099380 /nfs/dbraw/zinc/09/93/80/601099380.db2.gz ZQOKZWKHZRIKIO-OAHLLOKOSA-N 0 1 388.464 2.979 20 0 GFADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000635340292 601114591 /nfs/dbraw/zinc/11/45/91/601114591.db2.gz LRVZFCJKAYAKBD-QGZVFWFLSA-N 0 1 386.452 2.514 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000828295516 601119693 /nfs/dbraw/zinc/11/96/93/601119693.db2.gz JBJPKSVHABHCJT-HNNXBMFYSA-N 0 1 387.505 2.981 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295273 601119697 /nfs/dbraw/zinc/11/96/97/601119697.db2.gz CQWRMFTXPITRJX-RXVVDRJESA-N 0 1 398.503 2.721 20 0 GFADMN C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295273 601119699 /nfs/dbraw/zinc/11/96/99/601119699.db2.gz CQWRMFTXPITRJX-RXVVDRJESA-N 0 1 398.503 2.721 20 0 GFADMN C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295273 601119700 /nfs/dbraw/zinc/11/97/00/601119700.db2.gz CQWRMFTXPITRJX-RXVVDRJESA-N 0 1 398.503 2.721 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000828266127 601226060 /nfs/dbraw/zinc/22/60/60/601226060.db2.gz PTDCMGBIVFIKON-SHQCLWGWSA-N 0 1 380.510 2.573 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000379615754 601227088 /nfs/dbraw/zinc/22/70/88/601227088.db2.gz KQHMEHVHVITJAI-ZFWWWQNUSA-N 0 1 394.518 2.778 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759244 601289032 /nfs/dbraw/zinc/28/90/32/601289032.db2.gz QDAWXRMRBPKBRU-UZLBHIALSA-N 0 1 382.460 2.790 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829163586 601338477 /nfs/dbraw/zinc/33/84/77/601338477.db2.gz XYFDTZIMVBFNJD-HUUCEWRRSA-N 0 1 389.452 2.652 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000829765182 601341990 /nfs/dbraw/zinc/34/19/90/601341990.db2.gz LGGRGDQJEYALFE-LBPRGKRZSA-N 0 1 395.525 2.625 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000832314840 601421908 /nfs/dbraw/zinc/42/19/08/601421908.db2.gz PHNKREXCWRTICW-UHFFFAOYSA-N 0 1 389.496 2.558 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833105355 601432202 /nfs/dbraw/zinc/43/22/02/601432202.db2.gz IPVQKKAVDPYTOO-WBVHZDCISA-N 0 1 388.464 2.752 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833105355 601432204 /nfs/dbraw/zinc/43/22/04/601432204.db2.gz IPVQKKAVDPYTOO-WBVHZDCISA-N 0 1 388.464 2.752 20 0 GFADMN COc1ccc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000832393771 601433288 /nfs/dbraw/zinc/43/32/88/601433288.db2.gz IJXIVJHDQTVWBU-CRAIPNDOSA-N 0 1 390.480 2.998 20 0 GFADMN COc1ccc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000832393771 601433289 /nfs/dbraw/zinc/43/32/89/601433289.db2.gz IJXIVJHDQTVWBU-CRAIPNDOSA-N 0 1 390.480 2.998 20 0 GFADMN COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000575331956 601433873 /nfs/dbraw/zinc/43/38/73/601433873.db2.gz JOJYAWDRDBZHIE-QFBILLFUSA-N 0 1 395.521 2.824 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c12 ZINC000833001555 601435001 /nfs/dbraw/zinc/43/50/01/601435001.db2.gz ICAZQHSFGQOFLR-AWEZNQCLSA-N 0 1 390.509 2.697 20 0 GFADMN Cc1nc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000832934717 601510106 /nfs/dbraw/zinc/51/01/06/601510106.db2.gz RTEDVHIPBVJSAP-XJKSGUPXSA-N 0 1 387.505 2.942 20 0 GFADMN Cc1nc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000832934717 601510109 /nfs/dbraw/zinc/51/01/09/601510109.db2.gz RTEDVHIPBVJSAP-XJKSGUPXSA-N 0 1 387.505 2.942 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828441616 601514115 /nfs/dbraw/zinc/51/41/15/601514115.db2.gz REQVQEHLFONGPJ-UZLBHIALSA-N 0 1 382.460 2.534 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828440092 601517079 /nfs/dbraw/zinc/51/70/79/601517079.db2.gz KRCCBRBTLNULAF-YOEHRIQHSA-N 0 1 381.432 2.530 20 0 GFADMN C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828128709 601552175 /nfs/dbraw/zinc/55/21/75/601552175.db2.gz VZZIOFFRNCNJJI-NFBKMPQASA-N 0 1 378.472 2.688 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C[C@@H]1C ZINC000829752121 601588147 /nfs/dbraw/zinc/58/81/47/601588147.db2.gz DDZMXAUQIBURPQ-JSGCOSHPSA-N 0 1 377.441 2.508 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C[C@H]1C ZINC000829755005 601588260 /nfs/dbraw/zinc/58/82/60/601588260.db2.gz ZNTLNXZKNQVAGH-OCCSQVGLSA-N 0 1 377.441 2.508 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000832859973 601594704 /nfs/dbraw/zinc/59/47/04/601594704.db2.gz WREQCERULWOXMY-SJORKVTESA-N 0 1 398.459 2.534 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000832859973 601594706 /nfs/dbraw/zinc/59/47/06/601594706.db2.gz WREQCERULWOXMY-SJORKVTESA-N 0 1 398.459 2.534 20 0 GFADMN Cc1noc(C)c1[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833019078 601732797 /nfs/dbraw/zinc/73/27/97/601732797.db2.gz DCKWGHZQHJORKS-LHSJRXKWSA-N 0 1 385.464 2.631 20 0 GFADMN c1cc(-c2cccc(C[NH2+]Cc3cnc4cnccn34)c2)sc1-c1nn[n-]n1 ZINC000826516446 607523983 /nfs/dbraw/zinc/52/39/83/607523983.db2.gz LMESACUEVFDCMI-UHFFFAOYSA-N 0 1 388.460 2.928 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2cc3ccccn3c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129192 601741380 /nfs/dbraw/zinc/74/13/80/601741380.db2.gz WCQNSMUQRXLBQE-JOCHJYFZSA-N 0 1 377.444 2.789 20 0 GFADMN O=C([O-])CCC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000833224444 601788967 /nfs/dbraw/zinc/78/89/67/601788967.db2.gz KCHOETRGNBIOOH-OAHLLOKOSA-N 0 1 398.381 2.914 20 0 GFADMN C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])cc2)CC1 ZINC000739731279 601863181 /nfs/dbraw/zinc/86/31/81/601863181.db2.gz NCDKFNUBDUGCAY-FQEVSTJZSA-N 0 1 396.491 2.646 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000832990904 601896823 /nfs/dbraw/zinc/89/68/23/601896823.db2.gz LGTRNAVAXMDMGZ-MRXNPFEDSA-N 0 1 379.258 2.770 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H](NC(=O)[O-])c3ccccc3)c2)CCO1 ZINC000739195768 601906115 /nfs/dbraw/zinc/90/61/15/601906115.db2.gz ZBGBNVHNUWJFCU-UZLBHIALSA-N 0 1 397.475 2.532 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H](NC(=O)[O-])c3ccccc3)c2)CCO1 ZINC000739195768 601906117 /nfs/dbraw/zinc/90/61/17/601906117.db2.gz ZBGBNVHNUWJFCU-UZLBHIALSA-N 0 1 397.475 2.532 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000263212618 601926234 /nfs/dbraw/zinc/92/62/34/601926234.db2.gz WYLIMQVISSCERN-JOCHJYFZSA-N 0 1 382.460 2.678 20 0 GFADMN COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](CNC(=O)[O-])C3)cs2)c1OC ZINC000739943480 601935908 /nfs/dbraw/zinc/93/59/08/601935908.db2.gz SOEJYLMUGXEOJQ-LBPRGKRZSA-N 0 1 377.466 2.917 20 0 GFADMN COc1cccc(-c2nc(C[N@H+]3CC[C@@H](CNC(=O)[O-])C3)cs2)c1OC ZINC000739943480 601935910 /nfs/dbraw/zinc/93/59/10/601935910.db2.gz SOEJYLMUGXEOJQ-LBPRGKRZSA-N 0 1 377.466 2.917 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000740643706 601951210 /nfs/dbraw/zinc/95/12/10/601951210.db2.gz PWCXPAPJACABKY-CQSZACIVSA-N 0 1 389.452 2.646 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000740643706 601951212 /nfs/dbraw/zinc/95/12/12/601951212.db2.gz PWCXPAPJACABKY-CQSZACIVSA-N 0 1 389.452 2.646 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 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/nfs/dbraw/zinc/00/24/31/602002431.db2.gz LRQAPVVZSBDLBK-AWEZNQCLSA-N 0 1 384.498 2.643 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738834149 602012994 /nfs/dbraw/zinc/01/29/94/602012994.db2.gz IZARZQVBLOTAHW-INIZCTEOSA-N 0 1 376.501 2.716 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000825930056 602023466 /nfs/dbraw/zinc/02/34/66/602023466.db2.gz VSGWEUGCCBKUNR-DYVFJYSZSA-N 0 1 397.475 2.546 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000830954987 602049767 /nfs/dbraw/zinc/04/97/67/602049767.db2.gz VSMOYIIQWAVADG-VQTJNVASSA-N 0 1 387.524 2.587 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739103686 602080357 /nfs/dbraw/zinc/08/03/57/602080357.db2.gz KHUGMEDNEKEILH-VQIMIIECSA-N 0 1 388.512 2.860 20 0 GFADMN C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738974139 602097268 /nfs/dbraw/zinc/09/72/68/602097268.db2.gz 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CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])sc2C1 ZINC000739463534 602352541 /nfs/dbraw/zinc/35/25/41/602352541.db2.gz UGHWYWMKJUFMDZ-XBFCOCLRSA-N 0 1 378.498 2.771 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])sc2C1 ZINC000739463534 602352542 /nfs/dbraw/zinc/35/25/42/602352542.db2.gz UGHWYWMKJUFMDZ-XBFCOCLRSA-N 0 1 378.498 2.771 20 0 GFADMN Nc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)nc2sc3c(c21)CCCC3 ZINC000740340272 602376990 /nfs/dbraw/zinc/37/69/90/602376990.db2.gz DYNMGSMEUJZMKW-NSHDSACASA-N 0 1 375.498 2.632 20 0 GFADMN Nc1nc(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)nc2sc3c(c21)CCCC3 ZINC000740340272 602376992 /nfs/dbraw/zinc/37/69/92/602376992.db2.gz DYNMGSMEUJZMKW-NSHDSACASA-N 0 1 375.498 2.632 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000739001743 602407655 /nfs/dbraw/zinc/40/76/55/602407655.db2.gz UVCAPDPZEOTRTM-CRAIPNDOSA-N 0 1 391.487 2.932 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739081188 602415210 /nfs/dbraw/zinc/41/52/10/602415210.db2.gz QIAAQVJHVWMQLS-CALCHBBNSA-N 0 1 382.549 2.776 20 0 GFADMN O=C([O-])N1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1 ZINC000740462285 602452445 /nfs/dbraw/zinc/45/24/45/602452445.db2.gz SQOYGDZFANUOJP-ZIAGYGMSSA-N 0 1 380.876 2.776 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180411 602505425 /nfs/dbraw/zinc/50/54/25/602505425.db2.gz PDESGTINPCPQPY-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180411 602505427 /nfs/dbraw/zinc/50/54/27/602505427.db2.gz PDESGTINPCPQPY-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1)C(=O)[O-] ZINC000739658039 602527838 /nfs/dbraw/zinc/52/78/38/602527838.db2.gz CLWYVCJQGDYVBA-INIZCTEOSA-N 0 1 379.476 2.885 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737559117 602534289 /nfs/dbraw/zinc/53/42/89/602534289.db2.gz GYHCVMABQXGCBB-LBPRGKRZSA-N 0 1 385.867 2.900 20 0 GFADMN CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737887049 602534778 /nfs/dbraw/zinc/53/47/78/602534778.db2.gz SMWCSGVGUCERRJ-QGZVFWFLSA-N 0 1 377.485 2.727 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1)C(=O)[O-] ZINC000739665092 602543605 /nfs/dbraw/zinc/54/36/05/602543605.db2.gz KFOMKCNEQTUOFF-LBPRGKRZSA-N 0 1 375.450 2.971 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737748505 602569057 /nfs/dbraw/zinc/56/90/57/602569057.db2.gz HYZMGAZYADPTHR-QGZVFWFLSA-N 0 1 389.496 2.766 20 0 GFADMN C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)CC1CCN(C(=O)[O-])CC1 ZINC000738913633 602647823 /nfs/dbraw/zinc/64/78/23/602647823.db2.gz WXCBADBZGCDLCC-GOSISDBHSA-N 0 1 375.513 2.599 20 0 GFADMN O=C([O-])NC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 ZINC000740597145 602650831 /nfs/dbraw/zinc/65/08/31/602650831.db2.gz VRGDDVJKQXTWSQ-UHFFFAOYSA-N 0 1 375.450 2.813 20 0 GFADMN NC(=O)Nc1ccc(-c2csc(C[NH+]3CCC(NC(=O)[O-])CC3)n2)cc1 ZINC000740333623 602650860 /nfs/dbraw/zinc/65/08/60/602650860.db2.gz SNFJEZKRBBFIAY-UHFFFAOYSA-N 0 1 375.454 2.533 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCN(C(=O)[O-])C[C@H]1C ZINC000740245361 602736783 /nfs/dbraw/zinc/73/67/83/602736783.db2.gz ZJYSMMBXUKJHPU-CQSZACIVSA-N 0 1 385.468 2.502 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738859870 602761239 /nfs/dbraw/zinc/76/12/39/602761239.db2.gz IHYBMTAPDOCKJX-JKIFEVAISA-N 0 1 391.468 2.557 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738859870 602761243 /nfs/dbraw/zinc/76/12/43/602761243.db2.gz IHYBMTAPDOCKJX-JKIFEVAISA-N 0 1 391.468 2.557 20 0 GFADMN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC2)c1 ZINC000739944257 602832590 /nfs/dbraw/zinc/83/25/90/602832590.db2.gz DBSXKXCYESRPBN-OAHLLOKOSA-N 0 1 377.485 2.727 20 0 GFADMN C[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000740021741 603016234 /nfs/dbraw/zinc/01/62/34/603016234.db2.gz UHNRNPHNEQYOSW-ZLDLUXBVSA-N 0 1 387.402 2.861 20 0 GFADMN Cc1ccc(N2CCC(C(=O)NC[C@H](NC(=O)[O-])c3ccccc3)CC2)[nH+]c1 ZINC000740131401 603022883 /nfs/dbraw/zinc/02/28/83/603022883.db2.gz WQRJSWJRWHHIAT-SFHVURJKSA-N 0 1 382.464 2.732 20 0 GFADMN Cc1csc(-c2cccc(C(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)c2)n1 ZINC000740207968 603025191 /nfs/dbraw/zinc/02/51/91/603025191.db2.gz ZRXDRFOZYWKYBQ-UHFFFAOYSA-N 0 1 388.493 2.534 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000739105842 603030229 /nfs/dbraw/zinc/03/02/29/603030229.db2.gz MGVPIVAROUSOIR-ZIAGYGMSSA-N 0 1 380.514 2.637 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])C1 ZINC000739104728 603041401 /nfs/dbraw/zinc/04/14/01/603041401.db2.gz ISEFDQUGZGDSAU-KURKYZTESA-N 0 1 380.533 2.815 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000740026458 603129398 /nfs/dbraw/zinc/12/93/98/603129398.db2.gz LBGHVMIZCXANNF-SFHVURJKSA-N 0 1 384.436 2.660 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000740674740 603193886 /nfs/dbraw/zinc/19/38/86/603193886.db2.gz VWUNWZXULRMATF-IBGZPJMESA-N 0 1 383.448 2.684 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000740674740 603193890 /nfs/dbraw/zinc/19/38/90/603193890.db2.gz VWUNWZXULRMATF-IBGZPJMESA-N 0 1 383.448 2.684 20 0 GFADMN Cc1ccc(N2CCC(C(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C)CC2)[nH+]c1 ZINC000740130022 603225210 /nfs/dbraw/zinc/22/52/10/603225210.db2.gz JNWWDCFSYXWMTC-HXUWFJFHSA-N 0 1 376.501 2.795 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000739011007 603273191 /nfs/dbraw/zinc/27/31/91/603273191.db2.gz YUMGXTWAYPBYMM-LPHOPBHVSA-N 0 1 388.512 2.729 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739715833 603277902 /nfs/dbraw/zinc/27/79/02/603277902.db2.gz RJQKVXAXZCGPKU-OALUTQOASA-N 0 1 385.464 2.964 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739715833 603277904 /nfs/dbraw/zinc/27/79/04/603277904.db2.gz RJQKVXAXZCGPKU-OALUTQOASA-N 0 1 385.464 2.964 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc2)C1 ZINC000739101788 603281172 /nfs/dbraw/zinc/28/11/72/603281172.db2.gz DEUCOBGFISPODK-MRXNPFEDSA-N 0 1 376.501 2.718 20 0 GFADMN C[C@@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000824906078 603311183 /nfs/dbraw/zinc/31/11/83/603311183.db2.gz BDOYYBRAWWIAJK-YOEHRIQHSA-N 0 1 387.505 2.662 20 0 GFADMN C[C@@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000824906078 603311186 /nfs/dbraw/zinc/31/11/86/603311186.db2.gz BDOYYBRAWWIAJK-YOEHRIQHSA-N 0 1 387.505 2.662 20 0 GFADMN CN(Cc1cccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1)C(=O)[O-] ZINC000739716732 603360665 /nfs/dbraw/zinc/36/06/65/603360665.db2.gz YMWKZLJJTNAMRC-UHFFFAOYSA-N 0 1 382.464 2.976 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826058535 603364509 /nfs/dbraw/zinc/36/45/09/603364509.db2.gz PMZGMBOBIBCQRT-ZNMIVQPWSA-N 0 1 378.473 2.636 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739275052 603379542 /nfs/dbraw/zinc/37/95/42/603379542.db2.gz ZFACQGZPLLAVRB-KSZLIROESA-N 0 1 380.533 2.815 20 0 GFADMN Cc1csc([C@@H]2CCC[N@@H+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])C2)n1 ZINC000830661331 603403724 /nfs/dbraw/zinc/40/37/24/603403724.db2.gz UFJUCSGYTKHYHY-SQNIBIBYSA-N 0 1 389.521 2.871 20 0 GFADMN CCN(CC1CC[NH+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC1)C(=O)[O-] ZINC000827093315 603502985 /nfs/dbraw/zinc/50/29/85/603502985.db2.gz NMKSMPPPFKTWKS-UHFFFAOYSA-N 0 1 377.485 2.791 20 0 GFADMN COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000829569636 603554410 /nfs/dbraw/zinc/55/44/10/603554410.db2.gz FLMFVBKYICQPNO-CRAIPNDOSA-N 0 1 375.469 2.878 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000826066603 603675152 /nfs/dbraw/zinc/67/51/52/603675152.db2.gz GADNONPYLLJJQK-QRQLOZEOSA-N 0 1 388.512 2.538 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1F ZINC000830824159 603722674 /nfs/dbraw/zinc/72/26/74/603722674.db2.gz KJWMXAKEFXNPBX-GDBMZVCRSA-N 0 1 389.431 2.555 20 0 GFADMN C[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828162860 603782837 /nfs/dbraw/zinc/78/28/37/603782837.db2.gz RFKBFNBAUZLXMD-BZWMRVRASA-N 0 1 376.497 2.952 20 0 GFADMN COc1ccc([C@@H](NC(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)C2CC2)cc1 ZINC000829312266 603791179 /nfs/dbraw/zinc/79/11/79/603791179.db2.gz STTNYNUPGPEETK-UHYCVJNDSA-N 0 1 389.496 2.773 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827099946 603800312 /nfs/dbraw/zinc/80/03/12/603800312.db2.gz SRBVHMHRGJTKSW-RTBURBONSA-N 0 1 388.512 2.682 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@H+](C)CC[C@H](NC(=O)[O-])C(C)C)cc(=O)oc2c1 ZINC000823611720 603850333 /nfs/dbraw/zinc/85/03/33/603850333.db2.gz UGNVDHNOWDRBCG-KRWDZBQOSA-N 0 1 389.452 2.866 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000825416133 603863840 /nfs/dbraw/zinc/86/38/40/603863840.db2.gz JURXRONSVSISRP-YCRPNKLZSA-N 0 1 383.448 2.591 20 0 GFADMN O=C([O-])N[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832127923 603892826 /nfs/dbraw/zinc/89/28/26/603892826.db2.gz KDXOMHZOHPMYNQ-MOPGFXCFSA-N 0 1 382.464 2.569 20 0 GFADMN Cc1cc(NC(=O)C[N@H+](C)C2CCN(C(=O)[O-])CC2)ccc1Br ZINC000830104635 603994874 /nfs/dbraw/zinc/99/48/74/603994874.db2.gz ZPUYYMBTDYIJAN-UHFFFAOYSA-N 0 1 384.274 2.770 20 0 GFADMN CN(C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1CCN(C(=O)[O-])CC1 ZINC000827786852 604026008 /nfs/dbraw/zinc/02/60/08/604026008.db2.gz SQWWNJMZQCQJQF-UHFFFAOYSA-N 0 1 388.512 2.607 20 0 GFADMN 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C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000833827854 605682338 /nfs/dbraw/zinc/68/23/38/605682338.db2.gz BGHFAWANLAFLMI-ZYHUDNBSSA-N 0 1 385.258 2.698 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000834026113 605686286 /nfs/dbraw/zinc/68/62/86/605686286.db2.gz HWOCTJKRCAFMJT-LOXCNFCFSA-N 0 1 389.471 2.810 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000834026117 605686447 /nfs/dbraw/zinc/68/64/47/605686447.db2.gz HWOCTJKRCAFMJT-YEOAZHQRSA-N 0 1 389.471 2.810 20 0 GFADMN C[C@@](O)(CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000833524672 605757839 /nfs/dbraw/zinc/75/78/39/605757839.db2.gz KZGUSROFPHFEDX-PKTZIBPZSA-N 0 1 396.487 2.520 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833827289 605891856 /nfs/dbraw/zinc/89/18/56/605891856.db2.gz ANRYSKRKZLMFGD-IKGGRYGDSA-N 0 1 388.512 2.982 20 0 GFADMN O=C([O-])Nc1cccc(Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000834269829 605892191 /nfs/dbraw/zinc/89/21/91/605892191.db2.gz STFYFLLIKOVPTP-UHFFFAOYSA-N 0 1 390.443 2.940 20 0 GFADMN O=C([O-])Nc1cccc(Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000834269829 605892195 /nfs/dbraw/zinc/89/21/95/605892195.db2.gz STFYFLLIKOVPTP-UHFFFAOYSA-N 0 1 390.443 2.940 20 0 GFADMN O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000834089603 605894783 /nfs/dbraw/zinc/89/47/83/605894783.db2.gz UDQRBIXIHUIDPX-SFHVURJKSA-N 0 1 377.529 2.881 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000832235093 605939418 /nfs/dbraw/zinc/93/94/18/605939418.db2.gz WMXTUBRSDQVHCU-MQVJKMGUSA-N 0 1 385.464 2.716 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000834025982 605998828 /nfs/dbraw/zinc/99/88/28/605998828.db2.gz GWKMTYORLDXSTC-IAGOWNOFSA-N 0 1 379.526 2.651 20 0 GFADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563526 606159652 /nfs/dbraw/zinc/15/96/52/606159652.db2.gz RQXMWDDHJKURFH-PGGUUEOZSA-N 0 1 385.493 2.676 20 0 GFADMN C[C@H]1CN(CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759784 606173774 /nfs/dbraw/zinc/17/37/74/606173774.db2.gz NRDMLKPJFZMXNA-RYUDHWBXSA-N 0 1 384.406 2.797 20 0 GFADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000822645948 606294597 /nfs/dbraw/zinc/29/45/97/606294597.db2.gz XZUFKWRTGWAOCT-UHFFFAOYSA-N 0 1 397.620 2.579 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821970479 606295596 /nfs/dbraw/zinc/29/55/96/606295596.db2.gz OKNZVAVFXZOUFY-AAEUAGOBSA-N 0 1 396.476 2.707 20 0 GFADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000822153626 606331625 /nfs/dbraw/zinc/33/16/25/606331625.db2.gz NTKJKCDHPYRHIV-UHFFFAOYSA-N 0 1 395.391 2.886 20 0 GFADMN O=C(CCNC1(c2nccs2)CCCC1)Nc1sccc1-c1nn[nH]n1 ZINC000822969609 606333049 /nfs/dbraw/zinc/33/30/49/606333049.db2.gz SZGDJWVUTRVQBT-UHFFFAOYSA-N 0 1 389.510 2.772 20 0 GFADMN C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N1CCCCCC1 ZINC000819882550 606560256 /nfs/dbraw/zinc/56/02/56/606560256.db2.gz BJGPFGWLNLYAPX-GFCCVEGCSA-N 0 1 395.410 2.776 20 0 GFADMN CN(C)Cc1ccc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1F ZINC000821588507 606689093 /nfs/dbraw/zinc/68/90/93/606689093.db2.gz WJXGHVCIDKCXBT-UHFFFAOYSA-N 0 1 376.342 2.598 20 0 GFADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820758726 606748294 /nfs/dbraw/zinc/74/82/94/606748294.db2.gz CGGKCDIHHUSNGD-KBPBESRZSA-N 0 1 396.520 2.815 20 0 GFADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820758726 606748295 /nfs/dbraw/zinc/74/82/95/606748295.db2.gz CGGKCDIHHUSNGD-KBPBESRZSA-N 0 1 396.520 2.815 20 0 GFADMN CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820086772 606902328 /nfs/dbraw/zinc/90/23/28/606902328.db2.gz FJGOLUSSBCPXKU-PMACEKPBSA-N 0 1 399.470 2.731 20 0 GFADMN CCCN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821094783 606922656 /nfs/dbraw/zinc/92/26/56/606922656.db2.gz QNVDUAYAZYWPRT-DNVCBOLYSA-N 0 1 394.479 2.639 20 0 GFADMN CCCN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821094785 606922787 /nfs/dbraw/zinc/92/27/87/606922787.db2.gz QNVDUAYAZYWPRT-KXBFYZLASA-N 0 1 394.479 2.639 20 0 GFADMN O=C(Nc1ccccc1)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823367965 606967502 /nfs/dbraw/zinc/96/75/02/606967502.db2.gz PHEZIHLNHLIJED-UHFFFAOYSA-N 0 1 395.442 2.792 20 0 GFADMN CN(Cc1cc(Br)cn1C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821611101 606985109 /nfs/dbraw/zinc/98/51/09/606985109.db2.gz QOMJVTICLMLNQO-UHFFFAOYSA-N 0 1 379.237 2.739 20 0 GFADMN CN(C)Cc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821588155 607055273 /nfs/dbraw/zinc/05/52/73/607055273.db2.gz DTWRMTNNEPCUIU-UHFFFAOYSA-N 0 1 398.442 2.864 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886280 607795548 /nfs/dbraw/zinc/79/55/48/607795548.db2.gz WRVPFXLQLYFGII-ZBFHGGJFSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886280 607795549 /nfs/dbraw/zinc/79/55/49/607795549.db2.gz WRVPFXLQLYFGII-ZBFHGGJFSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886280 607795550 /nfs/dbraw/zinc/79/55/50/607795550.db2.gz WRVPFXLQLYFGII-ZBFHGGJFSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886280 607795551 /nfs/dbraw/zinc/79/55/51/607795551.db2.gz WRVPFXLQLYFGII-ZBFHGGJFSA-N 0 1 396.520 2.959 20 0 GFADMN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669462 607923772 /nfs/dbraw/zinc/92/37/72/607923772.db2.gz YGKGRAYURPJANN-ZIAGYGMSSA-N 0 1 375.498 2.759 20 0 GFADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669462 607923773 /nfs/dbraw/zinc/92/37/73/607923773.db2.gz YGKGRAYURPJANN-ZIAGYGMSSA-N 0 1 375.498 2.759 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@H](C)O1 ZINC000824983945 607988400 /nfs/dbraw/zinc/98/84/00/607988400.db2.gz DMQWJOYHKDYUSW-TXEJJXNPSA-N 0 1 395.305 2.540 20 0 GFADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000825627236 608257485 /nfs/dbraw/zinc/25/74/85/608257485.db2.gz WSPUXCPZYAEFSM-UHFFFAOYSA-N 0 1 392.423 2.772 20 0 GFADMN COc1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[nH]n1 ZINC000826202355 608286857 /nfs/dbraw/zinc/28/68/57/608286857.db2.gz XTDQLNSLHMYOQD-GFCCVEGCSA-N 0 1 396.451 2.693 20 0 GFADMN C[C@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000824966431 608311316 /nfs/dbraw/zinc/31/13/16/608311316.db2.gz BAWHPOVOCWQKFU-IRXDYDNUSA-N 0 1 390.491 2.531 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000826168858 608358144 /nfs/dbraw/zinc/35/81/44/608358144.db2.gz ASIGOLCDOHYBPI-KRWDZBQOSA-N 0 1 393.447 2.984 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875047 608399552 /nfs/dbraw/zinc/39/95/52/608399552.db2.gz HUPUSXACWSQWTP-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875047 608399554 /nfs/dbraw/zinc/39/95/54/608399554.db2.gz HUPUSXACWSQWTP-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875047 608399555 /nfs/dbraw/zinc/39/95/55/608399555.db2.gz HUPUSXACWSQWTP-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875047 608399557 /nfs/dbraw/zinc/39/95/57/608399557.db2.gz HUPUSXACWSQWTP-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892775 608411211 /nfs/dbraw/zinc/41/12/11/608411211.db2.gz MNZJKHVYJGVPLP-OCCSQVGLSA-N 0 1 390.463 2.883 20 0 GFADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188070 608418580 /nfs/dbraw/zinc/41/85/80/608418580.db2.gz MVFMDXGNNIFANN-WIYYLYMNSA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188070 608418581 /nfs/dbraw/zinc/41/85/81/608418581.db2.gz MVFMDXGNNIFANN-WIYYLYMNSA-N 0 1 397.454 2.887 20 0 GFADMN OCC[C@H](NCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccccc1 ZINC000826509423 608433004 /nfs/dbraw/zinc/43/30/04/608433004.db2.gz VLJDVWOGKXYSSF-HNNXBMFYSA-N 0 1 375.379 2.681 20 0 GFADMN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553455 608460459 /nfs/dbraw/zinc/46/04/59/608460459.db2.gz BQONQPRXORHWDQ-GFCCVEGCSA-N 0 1 393.476 2.790 20 0 GFADMN C[C@@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618891 608462869 /nfs/dbraw/zinc/46/28/69/608462869.db2.gz RRVGLMWKUCHSGN-LLVKDONJSA-N 0 1 393.419 2.714 20 0 GFADMN CC(C)Oc1cccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334171 608463708 /nfs/dbraw/zinc/46/37/08/608463708.db2.gz QCVSIKNXSKANEE-OAHLLOKOSA-N 0 1 394.479 2.621 20 0 GFADMN COc1ccccc1[C@H](C)N(C)C(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219107 608466007 /nfs/dbraw/zinc/46/60/07/608466007.db2.gz TUMVUIFVBWWWBW-CABCVRRESA-N 0 1 394.479 2.746 20 0 GFADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCOC2=O)c1 ZINC000824618192 608474150 /nfs/dbraw/zinc/47/41/50/608474150.db2.gz MWBAVYGHMGPJTN-GFCCVEGCSA-N 0 1 382.399 2.813 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC(OCc2ccccc2)CC1 ZINC000826521524 608507797 /nfs/dbraw/zinc/50/77/97/608507797.db2.gz QCZNIGUNQFISHZ-UHFFFAOYSA-N 0 1 389.463 2.696 20 0 GFADMN CSc1cccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1C ZINC000826230641 608577155 /nfs/dbraw/zinc/57/71/55/608577155.db2.gz CLVUXUBVCYROGX-UHFFFAOYSA-N 0 1 388.478 2.972 20 0 GFADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825961698 608630286 /nfs/dbraw/zinc/63/02/86/608630286.db2.gz LKOLPQHSWLCPPJ-PBWFPOADSA-N 0 1 388.472 2.822 20 0 GFADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825961698 608630298 /nfs/dbraw/zinc/63/02/98/608630298.db2.gz LKOLPQHSWLCPPJ-PBWFPOADSA-N 0 1 388.472 2.822 20 0 GFADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825961698 608630301 /nfs/dbraw/zinc/63/03/01/608630301.db2.gz LKOLPQHSWLCPPJ-PBWFPOADSA-N 0 1 388.472 2.822 20 0 GFADMN Brc1cnn(C2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000823831808 608696979 /nfs/dbraw/zinc/69/69/79/608696979.db2.gz DMGPOHLWEWWLGW-UHFFFAOYSA-N 0 1 394.302 2.724 20 0 GFADMN Brc1cnn(C2CC[NH+](Cc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000823831808 608696982 /nfs/dbraw/zinc/69/69/82/608696982.db2.gz DMGPOHLWEWWLGW-UHFFFAOYSA-N 0 1 394.302 2.724 20 0 GFADMN FC(F)(F)c1ccc(CN2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826368210 608769547 /nfs/dbraw/zinc/76/95/47/608769547.db2.gz GWYVGNHQIJIVPG-UHFFFAOYSA-N 0 1 389.385 2.603 20 0 GFADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)ccc12 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CC(C)c1nc(CNS(=O)(=O)C=Cc2ccc(Br)cc2)n[nH]1 ZINC000295264677 563239257 /nfs/dbraw/zinc/23/92/57/563239257.db2.gz LLUPGCZEWSKUPC-BQYQJAHWSA-N 0 1 385.287 2.781 20 0 GFADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000370340891 563239985 /nfs/dbraw/zinc/23/99/85/563239985.db2.gz MNGDUBKAPDIXPG-MWLCHTKSSA-N 0 1 382.233 2.752 20 0 GFADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419712851 563247644 /nfs/dbraw/zinc/24/76/44/563247644.db2.gz UPORGNHHSWYYMP-MGPLVRAMSA-N 0 1 397.294 2.708 20 0 GFADMN CCc1nc(CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)n[nH]1 ZINC000295454161 563247956 /nfs/dbraw/zinc/24/79/56/563247956.db2.gz WTFANJVDESDMEX-UHFFFAOYSA-N 0 1 389.257 2.554 20 0 GFADMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc(Cl)c(F)cc1Br ZINC000295472595 563249503 /nfs/dbraw/zinc/24/95/03/563249503.db2.gz NMDQDNKKMUJPHR-JTQLQIEISA-N 0 1 393.684 2.818 20 0 GFADMN O=C(Cc1ccc(Br)cc1)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000370757743 563253986 /nfs/dbraw/zinc/25/39/86/563253986.db2.gz 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CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(Br)sc1Cl ZINC000420759938 563284231 /nfs/dbraw/zinc/28/42/31/563284231.db2.gz FCPHUPCCLOQVMY-QMMMGPOBSA-N 0 1 387.752 2.879 20 0 GFADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCCc2[nH]ncc21 ZINC000279199055 563287141 /nfs/dbraw/zinc/28/71/41/563287141.db2.gz LJEHGCVALBTCBY-HIFRSBDPSA-N 0 1 389.297 2.987 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c1Br ZINC000279226271 563288344 /nfs/dbraw/zinc/28/83/44/563288344.db2.gz MOQUQPRVDDRJSI-UHFFFAOYSA-N 0 1 395.305 2.927 20 0 GFADMN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1cnc[nH]1 ZINC000279811083 563310841 /nfs/dbraw/zinc/31/08/41/563310841.db2.gz HQLNYOOOHUKNQF-OAHLLOKOSA-N 0 1 384.263 2.940 20 0 GFADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC1(S(C)(=O)=O)CC1 ZINC000279866598 563313325 /nfs/dbraw/zinc/31/33/25/563313325.db2.gz SWBOKPPMRANOEJ-UHFFFAOYSA-N 0 1 381.929 2.868 20 0 GFADMN CC[C@H](C)N1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297053062 563314099 /nfs/dbraw/zinc/31/40/99/563314099.db2.gz UGODDTXUMDMPNJ-SWLSCSKDSA-N 0 1 379.448 2.534 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)NCC1(c2cccc(Br)c2)CC1 ZINC000297080064 563314674 /nfs/dbraw/zinc/31/46/74/563314674.db2.gz DDGDOLGUOQFZBX-UHFFFAOYSA-N 0 1 390.285 2.976 20 0 GFADMN CCc1nc(CNC(=O)NCC2(c3cccc(Br)c3)CC2)n[nH]1 ZINC000297216306 563319456 /nfs/dbraw/zinc/31/94/56/563319456.db2.gz LQBGEOSYXSIZSG-UHFFFAOYSA-N 0 1 378.274 2.661 20 0 GFADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(O)c(Br)c3)C2)C1 ZINC000297223851 563320494 /nfs/dbraw/zinc/32/04/94/563320494.db2.gz HROXUWADQYQKQY-QGZVFWFLSA-N 0 1 382.302 2.782 20 0 GFADMN O=C(NCCc1cc(Br)ccc1F)NCc1n[nH]c(C2CC2)n1 ZINC000297274397 563322409 /nfs/dbraw/zinc/32/24/09/563322409.db2.gz QACBUYJCPIACJA-UHFFFAOYSA-N 0 1 382.237 2.626 20 0 GFADMN O=C(Nc1ccc(F)cc1Br)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000373079602 563327478 /nfs/dbraw/zinc/32/74/78/563327478.db2.gz XXPDBIIGBKCRTF-CABCVRRESA-N 0 1 386.265 2.651 20 0 GFADMN CCOc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc(Br)c1O ZINC000297493053 563327578 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CCCN(CC1CC1)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422452143 563339472 /nfs/dbraw/zinc/33/94/72/563339472.db2.gz FAGKOGYTTPPYCI-UHFFFAOYSA-N 0 1 393.285 2.590 20 0 GFADMN C[C@H]1CN(C(=O)C(=O)NCc2nc3cccc(Br)c3[nH]2)C(C)(C)C1 ZINC000422456150 563340205 /nfs/dbraw/zinc/34/02/05/563340205.db2.gz MKPOQQMCWJDXTQ-SNVBAGLBSA-N 0 1 393.285 2.589 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000297990681 563341582 /nfs/dbraw/zinc/34/15/82/563341582.db2.gz WZCLTRDLXSZDTQ-UHFFFAOYSA-N 0 1 397.248 2.616 20 0 GFADMN CN(Cc1cc(Br)ccc1F)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298033707 563342733 /nfs/dbraw/zinc/34/27/33/563342733.db2.gz GYOYEYKWGOUTNL-UHFFFAOYSA-N 0 1 382.237 2.925 20 0 GFADMN CCS(=O)(=O)c1ccc(CN[C@H](C)Cn2cc(Br)cn2)s1 ZINC000280588397 563344537 /nfs/dbraw/zinc/34/45/37/563344537.db2.gz NAKLJSUPWFIKJY-SNVBAGLBSA-N 0 1 392.344 2.679 20 0 GFADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000373644911 563345382 /nfs/dbraw/zinc/34/53/82/563345382.db2.gz PPTLKDMZAPXMAU-ZDUSSCGKSA-N 0 1 382.873 2.967 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000298221196 563347527 /nfs/dbraw/zinc/34/75/27/563347527.db2.gz HHKBLZCWTLPQKT-WCQYABFASA-N 0 1 376.258 2.800 20 0 GFADMN C[C@@H]1CN(C(=O)C(=O)N(Cc2cccs2)Cc2cccs2)C[C@H](C)N1 ZINC000423012258 563353492 /nfs/dbraw/zinc/35/34/92/563353492.db2.gz CPQNJDFOTLAFOH-OKILXGFUSA-N 0 1 377.535 2.547 20 0 GFADMN CC(C)c1nc(CNC(=O)NOCc2ccc(F)cc2Br)n[nH]1 ZINC000298525228 563358262 /nfs/dbraw/zinc/35/82/62/563358262.db2.gz XHDVKHZZSVMGOB-UHFFFAOYSA-N 0 1 386.225 2.761 20 0 GFADMN CC(C)[C@H](NCCC(=O)Nc1cccc(Br)c1)c1nncn1C ZINC000298520010 563358344 /nfs/dbraw/zinc/35/83/44/563358344.db2.gz LHZAOCPSDVIYMO-HNNXBMFYSA-N 0 1 380.290 2.893 20 0 GFADMN O=C(CC[N@@H+]1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000298542926 563358673 /nfs/dbraw/zinc/35/86/73/563358673.db2.gz NHWAFPRZTRPIGH-JTQLQIEISA-N 0 1 384.267 2.613 20 0 GFADMN O=C(CC[N@H+]1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1cc(Cl)ccc1Cl ZINC000298542926 563358675 /nfs/dbraw/zinc/35/86/75/563358675.db2.gz NHWAFPRZTRPIGH-JTQLQIEISA-N 0 1 384.267 2.613 20 0 GFADMN O=C(Nc1ccc(Br)cc1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000374214831 563365231 /nfs/dbraw/zinc/36/52/31/563365231.db2.gz ZZPYTBHQTCSEGG-UHFFFAOYSA-N 0 1 377.242 2.517 20 0 GFADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc(Br)cc2[nH]cnc21 ZINC000374389565 563370637 /nfs/dbraw/zinc/37/06/37/563370637.db2.gz SWARAGRGUYNJSF-CQSZACIVSA-N 0 1 397.236 2.963 20 0 GFADMN Cn1ccnc1[C@@](O)(CNCc1ccc(Br)s1)C(F)(F)F ZINC000299309462 563381628 /nfs/dbraw/zinc/38/16/28/563381628.db2.gz DQKHNHOVWABRGB-NSHDSACASA-N 0 1 384.221 2.784 20 0 GFADMN O=C(NC[C@@H](O)c1cccc(Br)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000374792463 563382180 /nfs/dbraw/zinc/38/21/80/563382180.db2.gz KDOAWSKNTNBZJR-OAHLLOKOSA-N 0 1 387.237 2.698 20 0 GFADMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]21 ZINC000375014284 563388177 /nfs/dbraw/zinc/38/81/77/563388177.db2.gz AQBSKCUDTWYCFX-CXAGYDPISA-N 0 1 389.297 2.801 20 0 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/nfs/dbraw/zinc/24/12/23/564241223.db2.gz YRPAEDAHXAYLAR-TZMCWYRMSA-N 0 1 382.448 2.681 20 0 GFADMN O=S(=O)(Nc1cc(F)c(OC(F)F)cc1-n1cncn1)c1ccsc1 ZINC000507917327 564248210 /nfs/dbraw/zinc/24/82/10/564248210.db2.gz JABSXHZEMGPKOM-UHFFFAOYSA-N 0 1 390.368 2.870 20 0 GFADMN C[C@@H](NC[C@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609409 564252540 /nfs/dbraw/zinc/25/25/40/564252540.db2.gz SEAKECSAWBUXLT-MFKMUULPSA-N 0 1 388.283 2.660 20 0 GFADMN Cn1ncc(N2CCN(C(C)(C)CC(C)(C)C)CC2)c(Br)c1=O ZINC000450878664 564253212 /nfs/dbraw/zinc/25/32/12/564253212.db2.gz MSGJEYUEXNHHBK-UHFFFAOYSA-N 0 1 385.350 2.880 20 0 GFADMN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C[C@H]1CCNC(=O)CC1 ZINC000450927266 564255786 /nfs/dbraw/zinc/25/57/86/564255786.db2.gz ORGOGTIALBWPCP-CQSZACIVSA-N 0 1 386.323 2.848 20 0 GFADMN CO[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H](C)C1 ZINC000508301138 564259619 /nfs/dbraw/zinc/25/96/19/564259619.db2.gz MJSLLYLHGVVLFD-ONGXEEELSA-N 0 1 399.232 2.807 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H](C)CN2CCCCC2)cc1Br ZINC000473955112 564259678 /nfs/dbraw/zinc/25/96/78/564259678.db2.gz ZRQKGAGNDMPJSH-CYBMUJFWSA-N 0 1 375.332 2.910 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000474058704 564262290 /nfs/dbraw/zinc/26/22/90/564262290.db2.gz ZKLBHQZSAZNPQV-UHFFFAOYSA-N 0 1 391.331 2.563 20 0 GFADMN Cn1cc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c(C(F)(F)F)n1 ZINC000451019485 564263940 /nfs/dbraw/zinc/26/39/40/564263940.db2.gz VJYBNYWRNJSTPQ-UHFFFAOYSA-N 0 1 396.822 2.955 20 0 GFADMN O=c1c(Cl)cc(C(F)(F)F)cn1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000508520899 564265137 /nfs/dbraw/zinc/26/51/37/564265137.db2.gz JJGHDTFSQQYPHG-UHFFFAOYSA-N 0 1 391.758 2.543 20 0 GFADMN O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCN(C2CCC2)CC1 ZINC000508664064 564269215 /nfs/dbraw/zinc/26/92/15/564269215.db2.gz NAJWJAYACQGKAD-HNNXBMFYSA-N 0 1 398.276 2.901 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)COc1c(Cl)cccc1Cl ZINC000474211578 564270628 /nfs/dbraw/zinc/27/06/28/564270628.db2.gz VRTNCNNWCKOFPN-GFCCVEGCSA-N 0 1 375.296 2.676 20 0 GFADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3)cc1F ZINC000451082962 564272038 /nfs/dbraw/zinc/27/20/38/564272038.db2.gz OVPSRTSRKPZCSY-UHFFFAOYSA-N 0 1 383.466 2.909 20 0 GFADMN O=S(=O)(NCCOC(F)(F)F)c1cc(Br)c(F)cc1F ZINC000474392948 564276977 /nfs/dbraw/zinc/27/69/77/564276977.db2.gz VGXHCNRWAHHFKN-UHFFFAOYSA-N 0 1 384.120 2.542 20 0 GFADMN CCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000451132854 564278919 /nfs/dbraw/zinc/27/89/19/564278919.db2.gz XXFGNBWOHGERAI-OAHLLOKOSA-N 0 1 376.950 2.706 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccc(Cl)cc2)ccc1O ZINC000509058317 564279878 /nfs/dbraw/zinc/27/98/78/564279878.db2.gz SOYUNUXBBZDKMS-UHFFFAOYSA-N 0 1 382.869 2.870 20 0 GFADMN COc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1Br ZINC000509076077 564281016 /nfs/dbraw/zinc/28/10/16/564281016.db2.gz XBORYBDQPWFRHU-UHFFFAOYSA-N 0 1 386.223 2.987 20 0 GFADMN CC(C)COC[C@H](O)CNCc1c(F)ccc(I)c1F ZINC000474602764 564282188 /nfs/dbraw/zinc/28/21/88/564282188.db2.gz DAOHCRBHHBMCBR-SNVBAGLBSA-N 0 1 399.219 2.693 20 0 GFADMN COCC1(S(=O)(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000451171230 564282651 /nfs/dbraw/zinc/28/26/51/564282651.db2.gz MXDOPUBRRRAPKI-UHFFFAOYSA-N 0 1 386.945 2.650 20 0 GFADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NC[C@](C)(O)C(F)(F)F)cc1 ZINC000541777711 564289160 /nfs/dbraw/zinc/28/91/60/564289160.db2.gz JQOHDHZNAXGMRA-OAGGEKHMSA-N 0 1 379.444 2.983 20 0 GFADMN C[C@H](C(=O)Nc1cccc(I)c1)N(C)CC(C)(C)CO ZINC000451245243 564290855 /nfs/dbraw/zinc/29/08/55/564290855.db2.gz OSVFNOSGVAVYOU-LLVKDONJSA-N 0 1 390.265 2.569 20 0 GFADMN O=c1[nH]nc2n1CCN(Cc1ccc(Br)cc1C(F)(F)F)C2 ZINC000474936161 564294568 /nfs/dbraw/zinc/29/45/68/564294568.db2.gz MERGCUBSTPBZPR-UHFFFAOYSA-N 0 1 377.164 2.781 20 0 GFADMN Cc1ccsc1[C@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451286086 564295610 /nfs/dbraw/zinc/29/56/10/564295610.db2.gz MQILHIIVIXPGLZ-JTQLQIEISA-N 0 1 381.397 2.793 20 0 GFADMN CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000451285405 564295795 /nfs/dbraw/zinc/29/57/95/564295795.db2.gz BFZCKFKHKZQMIY-ZBWQRKBMSA-N 0 1 399.456 2.769 20 0 GFADMN CCN(C)C(=O)[C@@H](NCC(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000451317922 564300078 /nfs/dbraw/zinc/30/00/78/564300078.db2.gz XBKZOTBLVSHGAS-INIZCTEOSA-N 0 1 384.318 2.789 20 0 GFADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)c1ccccc1OCC ZINC000451336310 564301573 /nfs/dbraw/zinc/30/15/73/564301573.db2.gz FLLYPTWEFRWNOK-ZDUSSCGKSA-N 0 1 383.388 2.735 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCN1CC=C(C)CC1 ZINC000475198692 564302892 /nfs/dbraw/zinc/30/28/92/564302892.db2.gz XWYNCZPZJZMDHJ-UHFFFAOYSA-N 0 1 398.276 2.603 20 0 GFADMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000542166380 564303454 /nfs/dbraw/zinc/30/34/54/564303454.db2.gz RLIOPNIYHHQRJJ-CHWSQXEVSA-N 0 1 387.293 2.604 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1N(C)C ZINC000451356814 564304456 /nfs/dbraw/zinc/30/44/56/564304456.db2.gz XOAIXKQQYUEYTQ-KBPBESRZSA-N 0 1 385.942 2.554 20 0 GFADMN CCOCC[C@H](O)CNCc1ccc(Cl)cc1I ZINC000566005351 564306040 /nfs/dbraw/zinc/30/60/40/564306040.db2.gz FIEBDFHTUVGWMP-LBPRGKRZSA-N 0 1 383.657 2.822 20 0 GFADMN COC(=O)c1ncccc1S(=O)(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000451388352 564308425 /nfs/dbraw/zinc/30/84/25/564308425.db2.gz KCQIKUQQXGXIKL-ZDUSSCGKSA-N 0 1 380.388 2.658 20 0 GFADMN CCN(CC)[C@@H](CNS(=O)(=O)CCOC)c1ccc(C(F)(F)F)cc1 ZINC000509791726 564313398 /nfs/dbraw/zinc/31/33/98/564313398.db2.gz TUTLOYZGIXVOML-HNNXBMFYSA-N 0 1 382.448 2.654 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000566206484 564316475 /nfs/dbraw/zinc/31/64/75/564316475.db2.gz BUNCTRBTSKCKLE-CYBMUJFWSA-N 0 1 378.523 2.600 20 0 GFADMN CN1CCN(Cc2ccc(NC(=O)[C@]3(C)CCCO3)cc2Br)CC1 ZINC000475751339 564318054 /nfs/dbraw/zinc/31/80/54/564318054.db2.gz XNPBOTAPFRCMKG-SFHVURJKSA-N 0 1 396.329 2.704 20 0 GFADMN COC[C@H](C)CC(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000475752375 564318427 /nfs/dbraw/zinc/31/84/27/564318427.db2.gz PIGVKZSFOXXGSO-CQSZACIVSA-N 0 1 398.345 2.808 20 0 GFADMN O=S(=O)(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000509991636 564320651 /nfs/dbraw/zinc/32/06/51/564320651.db2.gz IDNGLQNEDHTKQE-GFCCVEGCSA-N 0 1 388.396 2.953 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)Cc2cc(Br)ccc2OC)n1 ZINC000509992612 564320682 /nfs/dbraw/zinc/32/06/82/564320682.db2.gz OOIAIVZVHMCMAE-UHFFFAOYSA-N 0 1 382.214 2.539 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1C(F)(F)F ZINC000475813575 564320953 /nfs/dbraw/zinc/32/09/53/564320953.db2.gz UQIMSPLRVZETND-UHFFFAOYSA-N 0 1 394.396 2.613 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)Cc2cc(OC)ccc2Br)n1 ZINC000510015208 564321642 /nfs/dbraw/zinc/32/16/42/564321642.db2.gz RDCZKQOOQAXRCO-UHFFFAOYSA-N 0 1 382.214 2.539 20 0 GFADMN CSc1cccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000510114085 564326185 /nfs/dbraw/zinc/32/61/85/564326185.db2.gz SYNTYKRORZVABL-UHFFFAOYSA-N 0 1 384.567 2.532 20 0 GFADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566408664 564326390 /nfs/dbraw/zinc/32/63/90/564326390.db2.gz YCYXCWBUEJTVOF-BXUZGUMPSA-N 0 1 391.273 2.612 20 0 GFADMN CC(C)[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)C1 ZINC000451612234 564331111 /nfs/dbraw/zinc/33/11/11/564331111.db2.gz WFEFCVZPMOYZLI-HNNXBMFYSA-N 0 1 381.416 2.830 20 0 GFADMN CCC[C@]1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCOC1 ZINC000510473846 564334804 /nfs/dbraw/zinc/33/48/04/564334804.db2.gz QUIRDINONMAAEK-ZDUSSCGKSA-N 0 1 384.242 2.965 20 0 GFADMN CCCn1c(=O)[nH]nc1S(=O)(=O)CCCc1ccccc1Br ZINC000543115748 564338282 /nfs/dbraw/zinc/33/82/82/564338282.db2.gz KVXSLFGBZFUOHD-UHFFFAOYSA-N 0 1 388.287 2.563 20 0 GFADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554957 564338755 /nfs/dbraw/zinc/33/87/55/564338755.db2.gz SPCFAWJFAVSBHO-YPMHNXCESA-N 0 1 391.306 2.836 20 0 GFADMN O=S(=O)(CCN[C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000566733641 564340274 /nfs/dbraw/zinc/34/02/74/564340274.db2.gz XBZKVHYHKBRJBP-HNNXBMFYSA-N 0 1 396.306 2.816 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N=c2nc(SCc3ccccc3)[n-]s2)CC[N@H+]1C ZINC000476486953 564341659 /nfs/dbraw/zinc/34/16/59/564341659.db2.gz VOXPKZOLZSJKFM-OCCSQVGLSA-N 0 1 377.539 2.857 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Br)N(C)C1CC1 ZINC000543247124 564344861 /nfs/dbraw/zinc/34/48/61/564344861.db2.gz ULRIXLSOEOSXCD-SECBINFHSA-N 0 1 381.723 2.864 20 0 GFADMN CC(C)n1cc([C@@H](C)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000510998912 564352856 /nfs/dbraw/zinc/35/28/56/564352856.db2.gz LTRVOZVGHWGDPT-GFCCVEGCSA-N 0 1 388.896 2.886 20 0 GFADMN O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451882488 564362211 /nfs/dbraw/zinc/36/22/11/564362211.db2.gz CEGYEEMBHXKCLK-CHIMOYNISA-N 0 1 388.213 2.978 20 0 GFADMN O=C(CCCSc1ccc(Br)cc1)NC1(c2nn[nH]n2)CC1 ZINC000477054219 564362676 /nfs/dbraw/zinc/36/26/76/564362676.db2.gz FJGCOKATUJAEBA-UHFFFAOYSA-N 0 1 382.287 2.640 20 0 GFADMN O=S(=O)(CCN1CCCC1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000567263454 564364124 /nfs/dbraw/zinc/36/41/24/564364124.db2.gz OHOZHOZSVMEQAL-UHFFFAOYSA-N 0 1 383.583 2.627 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000477125906 564365286 /nfs/dbraw/zinc/36/52/86/564365286.db2.gz JHMCTCFHDQRKQK-HNNXBMFYSA-N 0 1 375.332 2.741 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000511348715 564368947 /nfs/dbraw/zinc/36/89/47/564368947.db2.gz YLEGKPZOKVKHQZ-UHFFFAOYSA-N 0 1 375.332 2.946 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(Br)cs2)C1 ZINC000511502288 564374783 /nfs/dbraw/zinc/37/47/83/564374783.db2.gz BVSHLYXIBGMDFT-RYUDHWBXSA-N 0 1 375.332 2.874 20 0 GFADMN C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@](C)(CO)c2ccc(Br)cc2)C1 ZINC000511547723 564375472 /nfs/dbraw/zinc/37/54/72/564375472.db2.gz VKCQDEQRSAIUSQ-HBUWYVDXSA-N 0 1 383.330 2.751 20 0 GFADMN CO[C@H]([C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CC1 ZINC000451992328 564377884 /nfs/dbraw/zinc/37/78/84/564377884.db2.gz ODOGSLUYGMZVFC-FUXBKTLASA-N 0 1 384.242 2.819 20 0 GFADMN CN(C)C(=O)N[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000452015221 564382357 /nfs/dbraw/zinc/38/23/57/564382357.db2.gz OCRMRBDCRVLNCE-LBPRGKRZSA-N 0 1 380.290 2.561 20 0 GFADMN O=C(C[C@@H]1COCCN1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000567674993 564382438 /nfs/dbraw/zinc/38/24/38/564382438.db2.gz VIIRPPCWLITOLV-GFCCVEGCSA-N 0 1 376.806 2.885 20 0 GFADMN O=C(NCCN1CC=CCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000477641919 564383292 /nfs/dbraw/zinc/38/32/92/564383292.db2.gz YGNPKNLUUDWPHC-GOSISDBHSA-N 0 1 392.341 2.964 20 0 GFADMN CCc1nc(NC(=O)CN(C)C2CCN(CC(F)(F)F)CC2)sc1C ZINC000452029182 564384512 /nfs/dbraw/zinc/38/45/12/564384512.db2.gz DAHHMRACRPRVQH-UHFFFAOYSA-N 0 1 378.464 2.911 20 0 GFADMN CSc1cccc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1C ZINC000567802372 564390105 /nfs/dbraw/zinc/39/01/05/564390105.db2.gz CSFBUKKFVCEFOO-UHFFFAOYSA-N 0 1 386.445 2.912 20 0 GFADMN C[C@H](c1ccccc1Br)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452093148 564390939 /nfs/dbraw/zinc/39/09/39/564390939.db2.gz IMBSTMREGZAQNM-KDOFPFPSSA-N 0 1 381.314 2.959 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000567945512 564397608 /nfs/dbraw/zinc/39/76/08/564397608.db2.gz VFSVHARHJPHUFE-FUHWJXTLSA-N 0 1 395.341 2.952 20 0 GFADMN O=C(NC[C@H]1CCCCN1CCO)c1ccc(Cl)cc1Br ZINC000452384365 564411111 /nfs/dbraw/zinc/41/11/11/564411111.db2.gz BTDHCSNMAIUWMC-GFCCVEGCSA-N 0 1 375.694 2.679 20 0 GFADMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(Br)c(Cl)c1F ZINC000452380702 564411144 /nfs/dbraw/zinc/41/11/44/564411144.db2.gz UDKPGYVBYMWCIU-JTQLQIEISA-N 0 1 393.684 2.818 20 0 GFADMN COC(=O)C[C@](C)(NCC(=O)N1CCCCC1)c1ccc(Br)cc1 ZINC000513165352 564422664 /nfs/dbraw/zinc/42/26/64/564422664.db2.gz IBDGTFFECBRXRI-SFHVURJKSA-N 0 1 397.313 2.830 20 0 GFADMN COC(=O)c1cn([C@H]2CCN(CCCc3ccccc3Br)C2)nn1 ZINC000545521258 564427310 /nfs/dbraw/zinc/42/73/10/564427310.db2.gz QFTRQIKOZPXONB-AWEZNQCLSA-N 0 1 393.285 2.707 20 0 GFADMN Cc1cc(Br)cc(Cl)c1C(=O)NC[C@H]1CCCCN1CCO ZINC000452799334 564431969 /nfs/dbraw/zinc/43/19/69/564431969.db2.gz QAAZUVSJSHBENS-CYBMUJFWSA-N 0 1 389.721 2.988 20 0 GFADMN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1cc(Br)cc2nc[nH]c21 ZINC000452919533 564437256 /nfs/dbraw/zinc/43/72/56/564437256.db2.gz GHFONEVQDCBFQR-HIFRSBDPSA-N 0 1 378.270 2.852 20 0 GFADMN C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355133 564437294 /nfs/dbraw/zinc/43/72/94/564437294.db2.gz DBZWMQZPLDPQHX-AAEUAGOBSA-N 0 1 395.253 2.663 20 0 GFADMN Cc1[nH]ncc1CNC(=O)c1cc(I)ccc1Cl ZINC000545954312 564438994 /nfs/dbraw/zinc/43/89/94/564438994.db2.gz HSJLWKALNGAGSW-UHFFFAOYSA-N 0 1 375.597 2.906 20 0 GFADMN C[C@@H](c1ccccc1Br)N(C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513897079 564442281 /nfs/dbraw/zinc/44/22/81/564442281.db2.gz KCWCHPMQIDMNGH-QWHCGFSZSA-N 0 1 375.332 2.723 20 0 GFADMN CSCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000546071889 564443155 /nfs/dbraw/zinc/44/31/55/564443155.db2.gz CFMIRTYRYBBJFF-UHFFFAOYSA-N 0 1 376.459 2.576 20 0 GFADMN O=S(=O)([N-]CCCCC[NH+]1CCCCC1)c1ccc(Br)o1 ZINC000546074085 564443816 /nfs/dbraw/zinc/44/38/16/564443816.db2.gz IAXSLSQQZUZIHI-UHFFFAOYSA-N 0 1 379.320 2.977 20 0 GFADMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(I)c1 ZINC000453224802 564450150 /nfs/dbraw/zinc/45/01/50/564450150.db2.gz XBGNMUHVQRQFRN-VHSXEESVSA-N 0 1 378.229 2.948 20 0 GFADMN Brc1ccccc1C[C@@H](NCc1nnnn1CC1CC1)C1CC1 ZINC000453190911 564450182 /nfs/dbraw/zinc/45/01/82/564450182.db2.gz DLKOOMJJYBDCNF-MRXNPFEDSA-N 0 1 376.302 2.957 20 0 GFADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC000453271701 564451269 /nfs/dbraw/zinc/45/12/69/564451269.db2.gz HCPLHXCLEXCUQP-WBVHZDCISA-N 0 1 375.918 2.575 20 0 GFADMN O[C@H](CNCc1ccsc1Br)COc1ccc2c(c1)OCO2 ZINC000514932532 564462645 /nfs/dbraw/zinc/46/26/45/564462645.db2.gz KUMTWMNCISWMJG-LLVKDONJSA-N 0 1 386.267 2.769 20 0 GFADMN COC(=O)c1coc(S(=O)(=O)Nc2c(Cl)ccc(C(=O)OC)c2C)c1 ZINC000546635134 564463306 /nfs/dbraw/zinc/46/33/06/564463306.db2.gz GKLGKXJCQAXBOB-UHFFFAOYSA-N 0 1 387.797 2.615 20 0 GFADMN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000515062037 564467506 /nfs/dbraw/zinc/46/75/06/564467506.db2.gz NNDZHJIZVPALID-DYVFJYSZSA-N 0 1 395.341 2.783 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000515062037 564467508 /nfs/dbraw/zinc/46/75/08/564467508.db2.gz NNDZHJIZVPALID-DYVFJYSZSA-N 0 1 395.341 2.783 20 0 GFADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000569612221 564471610 /nfs/dbraw/zinc/47/16/10/564471610.db2.gz SYXMBYHQJSWIEH-GWCFXTLKSA-N 0 1 380.242 2.718 20 0 GFADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000569612221 564471615 /nfs/dbraw/zinc/47/16/15/564471615.db2.gz SYXMBYHQJSWIEH-GWCFXTLKSA-N 0 1 380.242 2.718 20 0 GFADMN O=S(=O)(NCCCCn1cc(Br)cn1)c1c(F)cccc1F ZINC000480419101 564472800 /nfs/dbraw/zinc/47/28/00/564472800.db2.gz ZSUCJXPVLZXTBY-UHFFFAOYSA-N 0 1 394.241 2.683 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1Br ZINC000515265641 564474156 /nfs/dbraw/zinc/47/41/56/564474156.db2.gz PFKPYEQNMZYRRE-LLVKDONJSA-N 0 1 384.196 2.510 20 0 GFADMN O=C(NC1(c2nn[nH]n2)CCCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000569674188 564474187 /nfs/dbraw/zinc/47/41/87/564474187.db2.gz JVNIIZKGTQNWCK-QWHCGFSZSA-N 0 1 376.258 2.651 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000480836101 564489839 /nfs/dbraw/zinc/48/98/39/564489839.db2.gz GMIDUOBGBUNIHU-SWLSCSKDSA-N 0 1 387.343 2.827 20 0 GFADMN NC(=O)c1ccccc1NCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000570319334 564501043 /nfs/dbraw/zinc/50/10/43/564501043.db2.gz RXGPALRVKDALTK-UHFFFAOYSA-N 0 1 398.644 2.958 20 0 GFADMN CCn1nnc(C)c1C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000570456860 564507323 /nfs/dbraw/zinc/50/73/23/564507323.db2.gz OICWNLJJMLSENG-UHFFFAOYSA-N 0 1 381.274 2.846 20 0 GFADMN CCn1nnc(C)c1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000570456860 564507327 /nfs/dbraw/zinc/50/73/27/564507327.db2.gz OICWNLJJMLSENG-UHFFFAOYSA-N 0 1 381.274 2.846 20 0 GFADMN Cc1cc2[nH]ncc2cc1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000481327636 564510203 /nfs/dbraw/zinc/51/02/03/564510203.db2.gz KLKXPRGGKOKXND-UHFFFAOYSA-N 0 1 384.870 2.503 20 0 GFADMN C[C@H](C(=O)N(C)CCn1cc(Br)cn1)N1CCc2ccccc2C1 ZINC000516899802 564514929 /nfs/dbraw/zinc/51/49/29/564514929.db2.gz WPYCLZLTSKREKL-CQSZACIVSA-N 0 1 391.313 2.551 20 0 GFADMN O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000570769299 564520713 /nfs/dbraw/zinc/52/07/13/564520713.db2.gz UDWRYCNQCYAIHP-SNVBAGLBSA-N 0 1 392.257 2.565 20 0 GFADMN C[C@H]1c2nncn2CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000481741616 564521629 /nfs/dbraw/zinc/52/16/29/564521629.db2.gz VFKDRXDLDJJXFX-JTQLQIEISA-N 0 1 387.241 2.648 20 0 GFADMN COc1ccc(CNCCC(=O)Nc2ccc(Br)cc2)c(OC)n1 ZINC000570956564 564529790 /nfs/dbraw/zinc/52/97/90/564529790.db2.gz XCGUXKUSKZNSPS-UHFFFAOYSA-N 0 1 394.269 2.980 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000517392185 564532858 /nfs/dbraw/zinc/53/28/58/564532858.db2.gz UWRFUPHPXITFLF-KGLIPLIRSA-N 0 1 391.313 2.994 20 0 GFADMN CC(C)c1nc(CNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)n[nH]1 ZINC000455184782 564541402 /nfs/dbraw/zinc/54/14/02/564541402.db2.gz RNDIOYGVAJCCFM-UHFFFAOYSA-N 0 1 377.861 3.422 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1CCCS(=O)(=O)C1 ZINC000482727365 564549124 /nfs/dbraw/zinc/54/91/24/564549124.db2.gz WRKNLKJRMXTTMP-HNNXBMFYSA-N 0 1 398.326 2.610 20 0 GFADMN CC(C)NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000571429197 564551242 /nfs/dbraw/zinc/55/12/42/564551242.db2.gz JQOAVCVYWGGIEH-WDEREUQCSA-N 0 1 394.871 2.980 20 0 GFADMN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483003509 564556314 /nfs/dbraw/zinc/55/63/14/564556314.db2.gz HAZCMMDGJIZEHG-TXEJJXNPSA-N 0 1 375.332 2.704 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000455549728 564557779 /nfs/dbraw/zinc/55/77/79/564557779.db2.gz GLFAJIRMNUMDOS-ZENOOKHLSA-N 0 1 384.307 2.553 20 0 GFADMN Cn1cc(C(C)(C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)cn1 ZINC000571600563 564558054 /nfs/dbraw/zinc/55/80/54/564558054.db2.gz LWTQNUVXCKZMNC-OAHLLOKOSA-N 0 1 377.286 2.813 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000518605503 564558315 /nfs/dbraw/zinc/55/83/15/564558315.db2.gz IZFYIJNTGQWXII-CQSZACIVSA-N 0 1 383.279 2.630 20 0 GFADMN O=C(CCNC(=O)c1ccsc1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000519027379 564568173 /nfs/dbraw/zinc/56/81/73/564568173.db2.gz WXMPJXLVVQTYKD-UHFFFAOYSA-N 0 1 375.841 2.945 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)CN(C)C)c(Cl)c1 ZINC000571954454 564573609 /nfs/dbraw/zinc/57/36/09/564573609.db2.gz ROPPDWWTGOLTDJ-OAHLLOKOSA-N 0 1 382.913 2.800 20 0 GFADMN O=S1(=O)CC[C@@H](N[C@@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963741 564574335 /nfs/dbraw/zinc/57/43/35/564574335.db2.gz SJTLLQQCVBDTSS-CABCVRRESA-N 0 1 388.327 2.808 20 0 GFADMN C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@@H](C)CN1 ZINC000572284852 564587825 /nfs/dbraw/zinc/58/78/25/564587825.db2.gz HPFPUFNUMRENES-RYUDHWBXSA-N 0 1 383.311 2.973 20 0 GFADMN O=C(c1cc(Cl)c(F)cc1Br)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000519801223 564591002 /nfs/dbraw/zinc/59/10/02/564591002.db2.gz DBGMKGUSYURTBQ-ZETCQYMHSA-N 0 1 388.628 2.775 20 0 GFADMN O=C(Nc1ccc(Br)cc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000484677394 564594630 /nfs/dbraw/zinc/59/46/30/564594630.db2.gz ZIXBZGHOIXMCHQ-UHFFFAOYSA-N 0 1 394.313 2.865 20 0 GFADMN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@@H]2C)CO1 ZINC000456354936 564601537 /nfs/dbraw/zinc/60/15/37/564601537.db2.gz BPXRJCOZKZVPFX-MJBXVCDLSA-N 0 1 396.329 2.953 20 0 GFADMN CC(C)[C@H](O)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456375499 564603434 /nfs/dbraw/zinc/60/34/34/564603434.db2.gz QTMAMRCRSFFWLM-WBMJQRKESA-N 0 1 384.318 2.545 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)C1CCOCC1 ZINC000456378549 564604736 /nfs/dbraw/zinc/60/47/36/564604736.db2.gz VJRJAQGVXQIPEL-CYBMUJFWSA-N 0 1 396.329 2.955 20 0 GFADMN Cc1nnc(SCC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)[nH]1 ZINC000549778092 564605135 /nfs/dbraw/zinc/60/51/35/564605135.db2.gz QKNXAWKHHDLXAH-QMMMGPOBSA-N 0 1 387.278 2.854 20 0 GFADMN Cc1n[nH]c(SCC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)n1 ZINC000549778092 564605137 /nfs/dbraw/zinc/60/51/37/564605137.db2.gz QKNXAWKHHDLXAH-QMMMGPOBSA-N 0 1 387.278 2.854 20 0 GFADMN O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000549910916 564608961 /nfs/dbraw/zinc/60/89/61/564608961.db2.gz LCZRMVTXIWNUOJ-UHFFFAOYSA-N 0 1 381.263 2.739 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000520736984 564611033 /nfs/dbraw/zinc/61/10/33/564611033.db2.gz OHOXUDARXAJRBR-TXEJJXNPSA-N 0 1 385.302 2.772 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000520736984 564611037 /nfs/dbraw/zinc/61/10/37/564611037.db2.gz OHOXUDARXAJRBR-TXEJJXNPSA-N 0 1 385.302 2.772 20 0 GFADMN Cc1ccc(C(=O)NCCNC(=O)c2cccc(Br)c2O)cc1F ZINC000520717159 564611103 /nfs/dbraw/zinc/61/11/03/564611103.db2.gz ZCHAMBJIYFXBKJ-UHFFFAOYSA-N 0 1 395.228 2.762 20 0 GFADMN CCN1CCN(c2ccc(CNCc3ncc(CSC)s3)cn2)CC1 ZINC000550096594 564614768 /nfs/dbraw/zinc/61/47/68/564614768.db2.gz IMAJENDHLBRPHE-UHFFFAOYSA-N 0 1 377.583 2.833 20 0 GFADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506293 564617758 /nfs/dbraw/zinc/61/77/58/564617758.db2.gz OOHVDYAJAVBVAZ-HOCLYGCPSA-N 0 1 394.313 2.674 20 0 GFADMN NC(=O)C[C@@H](NCc1cccc(I)c1)c1ccccc1 ZINC000550295646 564620063 /nfs/dbraw/zinc/62/00/63/564620063.db2.gz DTXRWNKAKDYZAV-OAHLLOKOSA-N 0 1 380.229 2.998 20 0 GFADMN CC[C@@H](NC(=O)CN1CCN(CC)CC1)c1cc(F)cc(Br)c1 ZINC000485685634 564623064 /nfs/dbraw/zinc/62/30/64/564623064.db2.gz UIMBHFHHLVAWLK-MRXNPFEDSA-N 0 1 386.309 2.793 20 0 GFADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000573291276 564630937 /nfs/dbraw/zinc/63/09/37/564630937.db2.gz KJABSTPZMIEVST-UHFFFAOYSA-N 0 1 392.924 2.742 20 0 GFADMN CN1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)CCC(C)(C)C)CC1 ZINC000550823064 564632238 /nfs/dbraw/zinc/63/22/38/564632238.db2.gz LVDFIUPLNJUNHR-KRWDZBQOSA-N 0 1 376.607 2.946 20 0 GFADMN O=C(NCCCCN1CCOCC1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000521684222 564634438 /nfs/dbraw/zinc/63/44/38/564634438.db2.gz SAZXVTHDACAWKV-IRXDYDNUSA-N 0 1 396.329 2.717 20 0 GFADMN O=C(N[C@@H]1CC[S@@](=O)C1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000573422433 564637284 /nfs/dbraw/zinc/63/72/84/564637284.db2.gz HMQMHMBGYRNYEK-LZDXOUMISA-N 0 1 380.901 2.974 20 0 GFADMN O=S(=O)(CCC(F)(F)F)N1CCCN(CCCc2ccccc2)CC1 ZINC000551147804 564639078 /nfs/dbraw/zinc/63/90/78/564639078.db2.gz LGTMMLDFRFDHST-UHFFFAOYSA-N 0 1 378.460 2.909 20 0 GFADMN CN(C)[C@H](CNC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485147 564640081 /nfs/dbraw/zinc/64/00/81/564640081.db2.gz ZSCUMRCTLOCCEX-AEFFLSMTSA-N 0 1 383.945 2.860 20 0 GFADMN CN(C)[C@H](CNC(=O)N1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000573485154 564640727 /nfs/dbraw/zinc/64/07/27/564640727.db2.gz ZSCUMRCTLOCCEX-SJLPKXTDSA-N 0 1 383.945 2.860 20 0 GFADMN COC(=O)c1cc(CNC[C@@H](O)COc2ccc(Br)cc2)oc1C ZINC000573476506 564640750 /nfs/dbraw/zinc/64/07/50/564640750.db2.gz LUYKOTJUNZLBDF-CYBMUJFWSA-N 0 1 398.253 2.667 20 0 GFADMN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457017632 564643208 /nfs/dbraw/zinc/64/32/08/564643208.db2.gz ASUIMZVVSCZSPW-MNOVXSKESA-N 0 1 382.258 2.526 20 0 GFADMN C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457020256 564643215 /nfs/dbraw/zinc/64/32/15/564643215.db2.gz CGKBZFKPMDJPGP-SNVBAGLBSA-N 0 1 393.285 2.637 20 0 GFADMN CC(C)(C)C(=O)NCCCC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457033301 564644046 /nfs/dbraw/zinc/64/40/46/564644046.db2.gz JXGKHGFDCPDWAI-UHFFFAOYSA-N 0 1 395.301 2.884 20 0 GFADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)Cc1cc(Br)ccc1F ZINC000457109079 564647353 /nfs/dbraw/zinc/64/73/53/564647353.db2.gz DARGQGIWEHRPMR-UHFFFAOYSA-N 0 1 383.221 2.715 20 0 GFADMN Cc1c(Br)cccc1CC(=O)Nc1c(C(N)=O)[nH]nc1C(C)C ZINC000457106598 564647741 /nfs/dbraw/zinc/64/77/41/564647741.db2.gz AWENDYZQGSSYDT-UHFFFAOYSA-N 0 1 379.258 2.884 20 0 GFADMN CCCOc1c(Br)cc(C(=O)NCCCc2nc[nH]n2)cc1OC ZINC000573762432 564652376 /nfs/dbraw/zinc/65/23/76/564652376.db2.gz GIHWKCKPJUFXPM-UHFFFAOYSA-N 0 1 397.273 2.727 20 0 GFADMN CO[C@H](C)c1nc(=NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)s[n-]1 ZINC000573848020 564657128 /nfs/dbraw/zinc/65/71/28/564657128.db2.gz USBWSNXJQLSGNG-MFKMUULPSA-N 0 1 383.905 2.745 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(C)cc1Br ZINC000486696680 564663325 /nfs/dbraw/zinc/66/33/25/564663325.db2.gz MVPVEYBJVINMBE-HIFRSBDPSA-N 0 1 387.343 2.781 20 0 GFADMN CCN1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457580439 564666139 /nfs/dbraw/zinc/66/61/39/564666139.db2.gz OQCYVIUEXBVCAF-UHFFFAOYSA-N 0 1 382.295 2.801 20 0 GFADMN O=C([C@H]1CCCCN1CCOc1cccc(Br)c1)N1CCOCC1 ZINC000524177351 564678009 /nfs/dbraw/zinc/67/80/09/564678009.db2.gz ZCXFLLROQQACOH-QGZVFWFLSA-N 0 1 397.313 2.541 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000458030861 564684644 /nfs/dbraw/zinc/68/46/44/564684644.db2.gz YNXCOEYDNQMJNM-UHFFFAOYSA-N 0 1 380.901 2.988 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)sc1Br ZINC000574711682 564685706 /nfs/dbraw/zinc/68/57/06/564685706.db2.gz FXQBSWAJWLBAGD-NXEZZACHSA-N 0 1 396.376 2.755 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]C[C@@H](C)[N@H+]2CCCC[C@H]2C)sc1Br ZINC000574711682 564685710 /nfs/dbraw/zinc/68/57/10/564685710.db2.gz FXQBSWAJWLBAGD-NXEZZACHSA-N 0 1 396.376 2.755 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCC(OC(F)F)CC2)c1 ZINC000552366748 564688296 /nfs/dbraw/zinc/68/82/96/564688296.db2.gz XPNFBSRWMBKEMN-UHFFFAOYSA-N 0 1 377.409 2.922 20 0 GFADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000458119402 564689002 /nfs/dbraw/zinc/68/90/02/564689002.db2.gz WLWCUQCEMVUSRH-IINYFYTJSA-N 0 1 396.228 2.907 20 0 GFADMN CCC[C@](C)(O)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000524995278 564691037 /nfs/dbraw/zinc/69/10/37/564691037.db2.gz SFQYMGDDLOIJLP-INIZCTEOSA-N 0 1 396.289 2.585 20 0 GFADMN CCC[C@](C)(O)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000524995278 564691039 /nfs/dbraw/zinc/69/10/39/564691039.db2.gz SFQYMGDDLOIJLP-INIZCTEOSA-N 0 1 396.289 2.585 20 0 GFADMN Cc1noc(C)c1CCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458362901 564699120 /nfs/dbraw/zinc/69/91/20/564699120.db2.gz MWZHWYBOPOSETK-UHFFFAOYSA-N 0 1 392.257 2.972 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@@H]1CCC[C@@H]1F ZINC000458442750 564702722 /nfs/dbraw/zinc/70/27/22/564702722.db2.gz ZEZBCRCUKLXMOM-NWDGAFQWSA-N 0 1 382.237 2.924 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@@H]1CCC[C@@H]1F ZINC000458442750 564702727 /nfs/dbraw/zinc/70/27/27/564702727.db2.gz ZEZBCRCUKLXMOM-NWDGAFQWSA-N 0 1 382.237 2.924 20 0 GFADMN CO[C@@H]1C[C@@H](NC(=O)NCc2nc3cccc(Br)c3[nH]2)C1(C)C ZINC000458529775 564704690 /nfs/dbraw/zinc/70/46/90/564704690.db2.gz MXCQWZJRAZPTOW-VXGBXAGGSA-N 0 1 381.274 2.938 20 0 GFADMN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cccc(Br)c2O)n1 ZINC000525774345 564708271 /nfs/dbraw/zinc/70/82/71/564708271.db2.gz LRFZTVLGNQWJJE-VIFPVBQESA-N 0 1 384.230 2.907 20 0 GFADMN CCN(CC)CCS(=O)(=O)NCCc1cc(Cl)ccc1Br ZINC000576268212 564710165 /nfs/dbraw/zinc/71/01/65/564710165.db2.gz LBAAWVCUTYFXHL-UHFFFAOYSA-N 0 1 397.766 2.906 20 0 GFADMN C[C@@H]1CCNC(=O)[C@H]1NCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302642 564711955 /nfs/dbraw/zinc/71/19/55/564711955.db2.gz SWCFFPIIOAIGQI-JGFGOQIWSA-N 0 1 384.307 2.771 20 0 GFADMN CCN1CC[NH+](CCCN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000576543890 564715920 /nfs/dbraw/zinc/71/59/20/564715920.db2.gz JIWVVDKTZAHDEK-UHFFFAOYSA-N 0 1 384.311 2.905 20 0 GFADMN C[C@@H]1CN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)C[C@H](C)N1CCO ZINC000458744436 564716107 /nfs/dbraw/zinc/71/61/07/564716107.db2.gz DBAHSMRMMTUBJD-BETUJISGSA-N 0 1 375.847 2.528 20 0 GFADMN C[C@@H]1C[C@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000526930935 564722463 /nfs/dbraw/zinc/72/24/63/564722463.db2.gz KKBAJHDGZNZNCP-DTORHVGOSA-N 0 1 382.201 2.756 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553497617 564723185 /nfs/dbraw/zinc/72/31/85/564723185.db2.gz BVPUIAMVNKGEEI-AWEZNQCLSA-N 0 1 398.326 2.760 20 0 GFADMN CC(C)c1nc(CNC(=O)NCc2nc3c(cccc3Br)[nH]2)n[nH]1 ZINC000458925504 564724112 /nfs/dbraw/zinc/72/41/12/564724112.db2.gz SMCQHSBBPVLUNG-UHFFFAOYSA-N 0 1 392.261 2.566 20 0 GFADMN COc1ccc2c(c1)OC[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C2 ZINC000553532600 564725082 /nfs/dbraw/zinc/72/50/82/564725082.db2.gz BIFPQYDDLYESAU-SNVBAGLBSA-N 0 1 389.807 2.909 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000553639598 564729772 /nfs/dbraw/zinc/72/97/72/564729772.db2.gz LFFDQFPUFPWOQK-VIFPVBQESA-N 0 1 395.257 2.725 20 0 GFADMN C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000527124034 564731474 /nfs/dbraw/zinc/73/14/74/564731474.db2.gz GAAUWQIDPXSPHO-NSHDSACASA-N 0 1 399.866 2.852 20 0 GFADMN Cc1cc(N2CCC(NC(=O)c3cccc(Br)c3O)CC2)n[nH]1 ZINC000527133444 564732092 /nfs/dbraw/zinc/73/20/92/564732092.db2.gz UTXPRKLTOWXKLE-UHFFFAOYSA-N 0 1 379.258 2.585 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NC[C@@H]1CCCC[C@@H]1O ZINC000459188821 564735489 /nfs/dbraw/zinc/73/54/89/564735489.db2.gz CSXWDMZQUFCLRZ-GWCFXTLKSA-N 0 1 381.274 2.676 20 0 GFADMN CN(C)C(=O)CCN1CCN(Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459360288 564741424 /nfs/dbraw/zinc/74/14/24/564741424.db2.gz HBVADQQVBVGJNN-UHFFFAOYSA-N 0 1 388.737 2.698 20 0 GFADMN CCOc1cc(CNCCNS(=O)(=O)c2ccccc2)cc(Cl)c1O ZINC000459386682 564742915 /nfs/dbraw/zinc/74/29/15/564742915.db2.gz LWGRPCLFUPZQPC-UHFFFAOYSA-N 0 1 384.885 2.512 20 0 GFADMN CCOC(=O)CSc1nnc(NC(=O)c2snnc2C(C)(C)C)s1 ZINC000489526545 564743128 /nfs/dbraw/zinc/74/31/28/564743128.db2.gz OXXPRNRBZCFCHC-UHFFFAOYSA-N 0 1 387.512 2.595 20 0 GFADMN O=C(NCCNCc1cnc(C2CC2)nc1)c1cccc(Br)c1 ZINC000459413497 564744196 /nfs/dbraw/zinc/74/41/96/564744196.db2.gz MXIZXDSHDTYJFA-UHFFFAOYSA-N 0 1 375.270 2.636 20 0 GFADMN COCCN(Cc1ccnn1C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000489837194 564754434 /nfs/dbraw/zinc/75/44/34/564754434.db2.gz GIMUZRHSSMFEQI-UHFFFAOYSA-N 0 1 378.274 2.708 20 0 GFADMN Cn1nccc1N1CCC[C@@H](NCc2ncc(Cl)cc2Br)C1 ZINC000527701689 564756113 /nfs/dbraw/zinc/75/61/13/564756113.db2.gz WEYYWLWLCILTLP-GFCCVEGCSA-N 0 1 384.709 2.990 20 0 GFADMN CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000554410105 564759615 /nfs/dbraw/zinc/75/96/15/564759615.db2.gz SRNLHZFLSDKVHS-JTQLQIEISA-N 0 1 387.914 2.688 20 0 GFADMN OC[C@@]1(NCc2cc(Br)cc3c2OCC3)COc2ccccc2C1 ZINC000527769918 564760558 /nfs/dbraw/zinc/76/05/58/564760558.db2.gz SQGTTXPEKOJPPG-LJQANCHMSA-N 0 1 390.277 2.840 20 0 GFADMN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772667 564760958 /nfs/dbraw/zinc/76/09/58/564760958.db2.gz BYOCUUHXDDYRCL-JQWIXIFHSA-N 0 1 388.693 2.927 20 0 GFADMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000580522672 564762232 /nfs/dbraw/zinc/76/22/32/564762232.db2.gz GRXWXINYWDRGRR-UHFFFAOYSA-N 0 1 378.205 2.997 20 0 GFADMN O=S(=O)(C[C@@H](O)CN[C@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874449 564763143 /nfs/dbraw/zinc/76/31/43/564763143.db2.gz CWCOFLCMUSNOPU-NHYWBVRUSA-N 0 1 389.901 2.952 20 0 GFADMN C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938125 564765333 /nfs/dbraw/zinc/76/53/33/564765333.db2.gz JLKKWDQOERWMCY-SMDDNHRTSA-N 0 1 376.404 2.709 20 0 GFADMN Cc1nc2c(cc(OC[C@H](O)CN3CCN(C)CC3)c3ccsc32)s1 ZINC000580628949 564767005 /nfs/dbraw/zinc/76/70/05/564767005.db2.gz WAHPIMXKPBLZKH-CYBMUJFWSA-N 0 1 377.535 2.807 20 0 GFADMN CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000528046540 564768055 /nfs/dbraw/zinc/76/80/55/564768055.db2.gz FSQHUSKIIKIJRQ-GFCCVEGCSA-N 0 1 381.723 2.721 20 0 GFADMN CN(Cc1nc(-c2ccccc2Br)no1)c1ncnc2[nH]cnc21 ZINC000460139239 564770483 /nfs/dbraw/zinc/77/04/83/564770483.db2.gz NWSSRQZCLPWECJ-UHFFFAOYSA-N 0 1 386.213 2.802 20 0 GFADMN O=C1N=NCN1C1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000554852073 564774899 /nfs/dbraw/zinc/77/48/99/564774899.db2.gz QSXDDLCMAUZLHR-UHFFFAOYSA-N 0 1 385.237 2.601 20 0 GFADMN CN1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000528333836 564777632 /nfs/dbraw/zinc/77/76/32/564777632.db2.gz CUJXVIKZUQUBKS-KSSFIOAISA-N 0 1 394.313 2.576 20 0 GFADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccccc1SCc1cscn1 ZINC000490587646 564778722 /nfs/dbraw/zinc/77/87/22/564778722.db2.gz PPACUAVWZMPJJU-UHFFFAOYSA-N 0 1 393.519 2.890 20 0 GFADMN O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1cccnc1C(F)(F)F ZINC000528472567 564787657 /nfs/dbraw/zinc/78/76/57/564787657.db2.gz FIZJEMNUGXHVFK-CYBMUJFWSA-N 0 1 377.432 2.786 20 0 GFADMN Cc1cc(C)c(Br)c(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000461012911 564788427 /nfs/dbraw/zinc/78/84/27/564788427.db2.gz CLXYPOTTYKGVMC-HNNXBMFYSA-N 0 1 381.314 2.860 20 0 GFADMN CS(=O)(=O)N1CC[C@H](N[C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000581255636 564793970 /nfs/dbraw/zinc/79/39/70/564793970.db2.gz LFZCPEKREPYKDM-GWCFXTLKSA-N 0 1 379.309 2.831 20 0 GFADMN CN(C)S(=O)(=O)CCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000492195230 564799719 /nfs/dbraw/zinc/79/97/19/564799719.db2.gz NPCSSTJHJNWOIL-HNNXBMFYSA-N 0 1 375.332 2.868 20 0 GFADMN O=C(NC[C@@H]1COCCN1)Nc1ccc(Br)c(Cl)c1Cl ZINC000528689845 564800711 /nfs/dbraw/zinc/80/07/11/564800711.db2.gz QHKFTTSJOBKVNA-SSDOTTSWSA-N 0 1 383.073 2.866 20 0 GFADMN O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCN(C2CCOCC2)CC1 ZINC000528761100 564803762 /nfs/dbraw/zinc/80/37/62/564803762.db2.gz XWQHLMVGENDPCF-LSDHHAIUSA-N 0 1 399.354 2.937 20 0 GFADMN COc1ccc([C@@H](NCc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000528848328 564808246 /nfs/dbraw/zinc/80/82/46/564808246.db2.gz AWYCJAYLTFWNHT-KRWDZBQOSA-N 0 1 381.885 2.632 20 0 GFADMN Cc1[nH]ncc1CNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000461988014 564810956 /nfs/dbraw/zinc/81/09/56/564810956.db2.gz MAWKSUNRAZXTCU-UHFFFAOYSA-N 0 1 392.147 2.923 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000493850978 564811300 /nfs/dbraw/zinc/81/13/00/564811300.db2.gz WKGJJUBKNCPGCW-JOYOIKCWSA-N 0 1 393.734 2.864 20 0 GFADMN Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000581682682 564813832 /nfs/dbraw/zinc/81/38/32/564813832.db2.gz GNIBLNMMUGFATD-HOCLYGCPSA-N 0 1 390.281 2.686 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000556363929 564820889 /nfs/dbraw/zinc/82/08/89/564820889.db2.gz PVOXNGHIGHBHQD-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN Cc1sc(CNC(=O)NC[C@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000529300691 564828171 /nfs/dbraw/zinc/82/81/71/564828171.db2.gz WTBGAPRNHQGPHN-AWEZNQCLSA-N 0 1 380.901 2.560 20 0 GFADMN O=S(=O)(Cc1ccccc1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000556503292 564828876 /nfs/dbraw/zinc/82/88/76/564828876.db2.gz SVHMBDKZZAOYSD-UHFFFAOYSA-N 0 1 386.945 2.604 20 0 GFADMN CC(C)[C@H]1CNCCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000529329727 564829103 /nfs/dbraw/zinc/82/91/03/564829103.db2.gz ZPBAPXDXUJGKQT-CQSZACIVSA-N 0 1 376.245 2.867 20 0 GFADMN CN1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3csc(Br)c3)[C@H]2C1 ZINC000529326555 564829397 /nfs/dbraw/zinc/82/93/97/564829397.db2.gz YPEZOUOOEXSMOQ-CRWXNKLISA-N 0 1 385.327 2.546 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)NC)c2Br)C[C@@H]1C ZINC000494504236 564832143 /nfs/dbraw/zinc/83/21/43/564832143.db2.gz QIASAQZYVUSBPV-NWDGAFQWSA-N 0 1 397.317 2.755 20 0 GFADMN COc1cc(OC)c(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1Br ZINC000556607064 564832318 /nfs/dbraw/zinc/83/23/18/564832318.db2.gz GCEUJBKHTFYAJR-UHFFFAOYSA-N 0 1 396.245 2.784 20 0 GFADMN COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1 ZINC000494583888 564834203 /nfs/dbraw/zinc/83/42/03/564834203.db2.gz FPCPHOYXUCAQEO-UHFFFAOYSA-N 0 1 382.825 2.750 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000556806774 564841369 /nfs/dbraw/zinc/84/13/69/564841369.db2.gz LOHZGZVLUJJZKH-MNOVXSKESA-N 0 1 380.235 2.746 20 0 GFADMN Ic1cnc(CNCCc2ccc3c(c2)OCO3)s1 ZINC000556813757 564842348 /nfs/dbraw/zinc/84/23/48/564842348.db2.gz SZXNBTGCQYTKCM-UHFFFAOYSA-N 0 1 388.230 2.809 20 0 GFADMN COCCCN(CCn1ccc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000582388784 564843385 /nfs/dbraw/zinc/84/33/85/564843385.db2.gz CALKJSRHKROTAG-KRWDZBQOSA-N 0 1 384.929 2.820 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c(F)cc1Br ZINC000557080343 564853219 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WATUXBWNMYPLOU-UHFFFAOYSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000736801458 598399932 /nfs/dbraw/zinc/39/99/32/598399932.db2.gz WATUXBWNMYPLOU-UHFFFAOYSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000736801458 598399934 /nfs/dbraw/zinc/39/99/34/598399934.db2.gz WATUXBWNMYPLOU-UHFFFAOYSA-N 0 1 396.426 2.622 20 0 GFADMN CC(C)(C)c1ccc(S(=O)(=O)CCNCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735652961 598471230 /nfs/dbraw/zinc/47/12/30/598471230.db2.gz ZLXHKHFZEPNGAS-UHFFFAOYSA-N 0 1 399.520 2.728 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc3ccc(C)nc32)cc1-c1nn[nH]n1 ZINC000737187328 598473361 /nfs/dbraw/zinc/47/33/61/598473361.db2.gz QGDXRZWPJFVAOO-UHFFFAOYSA-N 0 1 393.432 2.798 20 0 GFADMN CCC(=O)c1cccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000820843222 607359982 /nfs/dbraw/zinc/35/99/82/607359982.db2.gz VRMIDPALGIRSOC-UHFFFAOYSA-N 0 1 384.421 2.534 20 0 GFADMN O=C(NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000738024379 598681592 /nfs/dbraw/zinc/68/15/92/598681592.db2.gz KYBKOKZKIWSECL-UHFFFAOYSA-N 0 1 398.417 2.539 20 0 GFADMN C[C@@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736104292 598742523 /nfs/dbraw/zinc/74/25/23/598742523.db2.gz GKFCSQFNSUGLSM-SNVBAGLBSA-N 0 1 397.826 2.653 20 0 GFADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735859531 598766603 /nfs/dbraw/zinc/76/66/03/598766603.db2.gz VLZDAGQMFHVZOF-UHFFFAOYSA-N 0 1 386.406 2.994 20 0 GFADMN Cc1oc(NC(=O)CN[C@@H](c2ncccc2C)C(C)C)c(-c2nn[nH]n2)c1C ZINC000737436485 599355948 /nfs/dbraw/zinc/35/59/48/599355948.db2.gz TVCJTYQLIOQZQK-MRXNPFEDSA-N 0 1 383.456 2.705 20 0 GFADMN CN(C)[C@H](CNc1ccc(Br)cc1-c1nn[nH]n1)c1ccco1 ZINC000736760058 599362262 /nfs/dbraw/zinc/36/22/62/599362262.db2.gz OXIDDOAVSKAXCJ-CYBMUJFWSA-N 0 1 377.246 2.937 20 0 GFADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737876516 599478213 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2.954 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000739282618 599712940 /nfs/dbraw/zinc/71/29/40/599712940.db2.gz DPVQVMCGGMYYKP-CYBMUJFWSA-N 0 1 388.493 2.797 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000739282618 599712942 /nfs/dbraw/zinc/71/29/42/599712942.db2.gz DPVQVMCGGMYYKP-CYBMUJFWSA-N 0 1 388.493 2.797 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000738569530 599734317 /nfs/dbraw/zinc/73/43/17/599734317.db2.gz HNBWSWFNRMNFAZ-KRWDZBQOSA-N 0 1 392.477 2.543 20 0 GFADMN Cc1nn(-c2ccc(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000738895183 599750385 /nfs/dbraw/zinc/75/03/85/599750385.db2.gz BSONADZQSSKHFV-CQSZACIVSA-N 0 1 398.507 2.719 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413122 599792698 /nfs/dbraw/zinc/79/26/98/599792698.db2.gz GHJYIMDZBYKMAL-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413122 599792700 /nfs/dbraw/zinc/79/27/00/599792700.db2.gz GHJYIMDZBYKMAL-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN O=C([O-])N1CCC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000739924769 599833916 /nfs/dbraw/zinc/83/39/16/599833916.db2.gz MCNNBGFOYZMMOK-MAUKXSAKSA-N 0 1 399.413 2.700 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000736794136 599864358 /nfs/dbraw/zinc/86/43/58/599864358.db2.gz OAJJVOBYSLLLMD-QFBILLFUSA-N 0 1 388.512 2.860 20 0 GFADMN CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)ccc1OCC(=O)[O-] ZINC000737185581 599931333 /nfs/dbraw/zinc/93/13/33/599931333.db2.gz VXCNZMIBQPKPCM-UHFFFAOYSA-N 0 1 396.403 2.690 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C1CC1)C(=O)[O-] ZINC000736579643 599950889 /nfs/dbraw/zinc/95/08/89/599950889.db2.gz VFKPFALBONDLKU-CJNGLKHVSA-N 0 1 385.420 2.735 20 0 GFADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738849455 599969357 /nfs/dbraw/zinc/96/93/57/599969357.db2.gz CPEPMTDVXATLTH-RHSMWYFYSA-N 0 1 399.495 2.641 20 0 GFADMN Cc1sc(NC(=O)CN2CCC[C@@H](n3cc[nH+]c3C)C2)c(C(=O)[O-])c1C ZINC000738399087 599973887 /nfs/dbraw/zinc/97/38/87/599973887.db2.gz NFMURSSTPWFTJE-CQSZACIVSA-N 0 1 376.482 2.844 20 0 GFADMN Cc1cc(C)n([C@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738371765 599976469 /nfs/dbraw/zinc/97/64/69/599976469.db2.gz ZLZCQTDEGOUIPP-APWZRJJASA-N 0 1 384.480 2.540 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738371769 599976828 /nfs/dbraw/zinc/97/68/28/599976828.db2.gz ZLZCQTDEGOUIPP-QFBILLFUSA-N 0 1 384.480 2.540 20 0 GFADMN C[N@H+](CC(=O)NCCC(=O)[O-])[C@H]1CCSc2ccc(Br)cc21 ZINC000737394466 599990943 /nfs/dbraw/zinc/99/09/43/599990943.db2.gz LBVKHLRIIXFTFD-LBPRGKRZSA-N 0 1 387.299 2.509 20 0 GFADMN C[N@@H+](CC(=O)NCCC(=O)[O-])[C@H]1CCSc2ccc(Br)cc21 ZINC000737394466 599990945 /nfs/dbraw/zinc/99/09/45/599990945.db2.gz LBVKHLRIIXFTFD-LBPRGKRZSA-N 0 1 387.299 2.509 20 0 GFADMN C[N@H+](CC(=O)NCCC(=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 ZINC000737394465 599991047 /nfs/dbraw/zinc/99/10/47/599991047.db2.gz LBVKHLRIIXFTFD-GFCCVEGCSA-N 0 1 387.299 2.509 20 0 GFADMN C[N@@H+](CC(=O)NCCC(=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 ZINC000737394465 599991050 /nfs/dbraw/zinc/99/10/50/599991050.db2.gz LBVKHLRIIXFTFD-GFCCVEGCSA-N 0 1 387.299 2.509 20 0 GFADMN O=C([O-])COc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000739842510 600008219 /nfs/dbraw/zinc/00/82/19/600008219.db2.gz HHQZKNXUOBHFJD-GOSISDBHSA-N 0 1 397.475 2.836 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])Cc2ccccc21 ZINC000736810275 600047229 /nfs/dbraw/zinc/04/72/29/600047229.db2.gz TWSCSCMPXPEPGJ-VFNWGFHPSA-N 0 1 391.471 2.899 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])Cc2ccccc21 ZINC000736810275 600047230 /nfs/dbraw/zinc/04/72/30/600047230.db2.gz TWSCSCMPXPEPGJ-VFNWGFHPSA-N 0 1 391.471 2.899 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc(C(=O)[O-])c1 ZINC000737660302 600147146 /nfs/dbraw/zinc/14/71/46/600147146.db2.gz LSOGFGVQKVYNNN-LBPRGKRZSA-N 0 1 386.404 2.509 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc(C(=O)[O-])c1 ZINC000737660302 600147149 /nfs/dbraw/zinc/14/71/49/600147149.db2.gz LSOGFGVQKVYNNN-LBPRGKRZSA-N 0 1 386.404 2.509 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000737168339 600182247 /nfs/dbraw/zinc/18/22/47/600182247.db2.gz SUWHHDIWVXDXJC-QAPCUYQASA-N 0 1 377.485 2.572 20 0 GFADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCCO1 ZINC000739725195 600210150 /nfs/dbraw/zinc/21/01/50/600210150.db2.gz VKTPMAOJPRCHAG-HNNXBMFYSA-N 0 1 399.285 2.733 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000738570759 600230118 /nfs/dbraw/zinc/23/01/18/600230118.db2.gz UZOFVVMNTHIWMV-KRWDZBQOSA-N 0 1 392.477 2.543 20 0 GFADMN CC(C)Cc1ccc([C@@]2(C)NC(=O)N(C[N@@H+](CCC(=O)[O-])C(C)C)C2=O)cc1 ZINC000736454160 600312937 /nfs/dbraw/zinc/31/29/37/600312937.db2.gz REDOERQJCOSUEB-OAQYLSRUSA-N 0 1 389.496 2.795 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+]([C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000739530674 600315838 /nfs/dbraw/zinc/31/58/38/600315838.db2.gz CTAAMJNTDXCLFT-UONOGXRCSA-N 0 1 396.365 2.524 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000737687187 600325501 /nfs/dbraw/zinc/32/55/01/600325501.db2.gz RXZGFTWXLBMBCY-JSGCOSHPSA-N 0 1 386.404 2.581 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736813739 600329802 /nfs/dbraw/zinc/32/98/02/600329802.db2.gz UMWOZXIDQRFLIQ-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736813739 600329805 /nfs/dbraw/zinc/32/98/05/600329805.db2.gz UMWOZXIDQRFLIQ-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000736572828 600375072 /nfs/dbraw/zinc/37/50/72/600375072.db2.gz SDOMAVYIZWJMCZ-CYBMUJFWSA-N 0 1 387.411 2.669 20 0 GFADMN CCOc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1OCC(=O)[O-] ZINC000737187181 600415028 /nfs/dbraw/zinc/41/50/28/600415028.db2.gz TUDOYANQLJXKKO-UHFFFAOYSA-N 0 1 390.480 2.639 20 0 GFADMN Cc1nc(CN2CC[NH+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CC2)no1 ZINC000738354288 600442593 /nfs/dbraw/zinc/44/25/93/600442593.db2.gz RVDPWBOLYCKDFD-UHFFFAOYSA-N 0 1 390.440 2.748 20 0 GFADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000736765131 600450269 /nfs/dbraw/zinc/45/02/69/600450269.db2.gz YGJYKXJTSPHXGO-ZBFHGGJFSA-N 0 1 392.477 2.651 20 0 GFADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000570507938 600466252 /nfs/dbraw/zinc/46/62/52/600466252.db2.gz XDOMHWQXRPIRLZ-UHFFFAOYSA-N 0 1 389.496 2.602 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000737913083 600473982 /nfs/dbraw/zinc/47/39/82/600473982.db2.gz YLQBVDKTVPPRDN-UHFFFAOYSA-N 0 1 375.450 2.554 20 0 GFADMN C[NH+]1CCN(c2cc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])ccn2)CC1 ZINC000737528574 600492917 /nfs/dbraw/zinc/49/29/17/600492917.db2.gz JCRNOWJKPLRNMK-UHFFFAOYSA-N 0 1 390.443 2.937 20 0 GFADMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000737030458 600496228 /nfs/dbraw/zinc/49/62/28/600496228.db2.gz OYHWVKJPIYZSBI-ROUUACIJSA-N 0 1 387.480 2.579 20 0 GFADMN CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C[C@H]1CCOC1 ZINC000737069891 600508419 /nfs/dbraw/zinc/50/84/19/600508419.db2.gz YTFRDZRLPQLTID-CHWSQXEVSA-N 0 1 380.510 2.868 20 0 GFADMN CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736950197 600510478 /nfs/dbraw/zinc/51/04/78/600510478.db2.gz OFWNAIWYTIAPDE-GOEBONIOSA-N 0 1 380.510 2.540 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000737885813 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RHXNIJZGPWSXLN-GOSISDBHSA-N 0 1 390.480 2.682 20 0 GFADMN Cc1cc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)c(C(C)C)cc1Cl ZINC000565657334 601461247 /nfs/dbraw/zinc/46/12/47/601461247.db2.gz JYFQMCAEEZUDOX-LSDHHAIUSA-N 0 1 385.888 2.687 20 0 GFADMN Cc1cc(OC[C@@H](O)C[N@H+]2CCO[C@H](CC(=O)[O-])C2)c(C(C)C)cc1Cl ZINC000565657334 601461250 /nfs/dbraw/zinc/46/12/50/601461250.db2.gz JYFQMCAEEZUDOX-LSDHHAIUSA-N 0 1 385.888 2.687 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000828266329 601506984 /nfs/dbraw/zinc/50/69/84/601506984.db2.gz TVKSVHXZGLNMFV-MRXNPFEDSA-N 0 1 394.537 2.593 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000832124782 601518888 /nfs/dbraw/zinc/51/88/88/601518888.db2.gz ZUUGFRFVDGQEQY-HUBLWGQQSA-N 0 1 389.477 2.798 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C(=O)[O-] ZINC000251655883 601523692 /nfs/dbraw/zinc/52/36/92/601523692.db2.gz GPWRDPFAKVPCLS-WCBMZHEXSA-N 0 1 375.650 2.694 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C(=O)[O-] ZINC000251655883 601523693 /nfs/dbraw/zinc/52/36/93/601523693.db2.gz GPWRDPFAKVPCLS-WCBMZHEXSA-N 0 1 375.650 2.694 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000832970497 601535165 /nfs/dbraw/zinc/53/51/65/601535165.db2.gz GXKGKMCVPMCNBW-YJBOKZPZSA-N 0 1 395.459 2.838 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C[N@H+]1C1CC1 ZINC000828177132 601557016 /nfs/dbraw/zinc/55/70/16/601557016.db2.gz NZCVTISCJHCVJZ-OCCSQVGLSA-N 0 1 382.464 2.559 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000833105591 601563795 /nfs/dbraw/zinc/56/37/95/601563795.db2.gz LLDXKGITWMYVLQ-NQIIRXRSSA-N 0 1 391.471 2.597 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000833105591 601563797 /nfs/dbraw/zinc/56/37/97/601563797.db2.gz LLDXKGITWMYVLQ-NQIIRXRSSA-N 0 1 391.471 2.597 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843545 601600940 /nfs/dbraw/zinc/60/09/40/601600940.db2.gz XJGPSLLWIWTING-UONOGXRCSA-N 0 1 385.468 2.707 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843545 601600942 /nfs/dbraw/zinc/60/09/42/601600942.db2.gz XJGPSLLWIWTING-UONOGXRCSA-N 0 1 385.468 2.707 20 0 GFADMN O=C(Cc1noc2ccccc12)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833119230 601731694 /nfs/dbraw/zinc/73/16/94/601731694.db2.gz FLBZVDQZDZOJOH-JOCHJYFZSA-N 0 1 393.443 2.606 20 0 GFADMN COc1ccc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832280499 601735774 /nfs/dbraw/zinc/73/57/74/601735774.db2.gz CQCHPTKSPFSLCQ-OCUNKTDNSA-N 0 1 394.471 2.944 20 0 GFADMN CC(=O)c1csc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000825967288 601740141 /nfs/dbraw/zinc/74/01/41/601740141.db2.gz SKEVUDIHWMIOKV-HXUWFJFHSA-N 0 1 386.473 2.800 20 0 GFADMN CC(=O)c1csc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825967288 601740142 /nfs/dbraw/zinc/74/01/42/601740142.db2.gz SKEVUDIHWMIOKV-HXUWFJFHSA-N 0 1 386.473 2.800 20 0 GFADMN C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000827741830 601852476 /nfs/dbraw/zinc/85/24/76/601852476.db2.gz UNTRWDFJEHKGMW-LBPRGKRZSA-N 0 1 383.416 2.815 20 0 GFADMN C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739730261 601863386 /nfs/dbraw/zinc/86/33/86/601863386.db2.gz JHCQNICQCNPWHG-IBGZPJMESA-N 0 1 382.464 2.776 20 0 GFADMN O=C([O-])c1cccc(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000666526031 601868281 /nfs/dbraw/zinc/86/82/81/601868281.db2.gz LSZDTGVNWQSRCE-IBGZPJMESA-N 0 1 381.476 2.749 20 0 GFADMN CCS[C@H]1CC[C@H]([N@H+](C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000830150441 601881496 /nfs/dbraw/zinc/88/14/96/601881496.db2.gz OVADEFYBGKXTNV-HOCLYGCPSA-N 0 1 391.493 2.717 20 0 GFADMN 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XCESGXOXBBEVBR-QWRGUYRKSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826015006 601922877 /nfs/dbraw/zinc/92/28/77/601922877.db2.gz ZSMREWNPPXRBIY-CRAIPNDOSA-N 0 1 391.537 2.896 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826015006 601922880 /nfs/dbraw/zinc/92/28/80/601922880.db2.gz ZSMREWNPPXRBIY-CRAIPNDOSA-N 0 1 391.537 2.896 20 0 GFADMN COc1ccc(OC)c([C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000739929295 601926489 /nfs/dbraw/zinc/92/64/89/601926489.db2.gz HKMVSGCTMSMUSJ-FGTMMUONSA-N 0 1 378.469 2.734 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262747407 601932740 /nfs/dbraw/zinc/93/27/40/601932740.db2.gz AQSMDGFTOHERHI-DENIHFKCSA-N 0 1 396.443 2.569 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C2CC2)CC1 ZINC000740364333 601932792 /nfs/dbraw/zinc/93/27/92/601932792.db2.gz FOSWDTYBQCGVEN-UHFFFAOYSA-N 0 1 375.473 2.544 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000740640641 601938200 /nfs/dbraw/zinc/93/82/00/601938200.db2.gz GBLAVSRZZDHHFW-DYESRHJHSA-N 0 1 393.487 2.750 20 0 GFADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739891144 601939540 /nfs/dbraw/zinc/93/95/40/601939540.db2.gz CNYWFLOGZDCASM-QFBILLFUSA-N 0 1 389.496 2.728 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000828019939 601939746 /nfs/dbraw/zinc/93/97/46/601939746.db2.gz FIJJTLWXYGGXII-LIRRHRJNSA-N 0 1 387.461 2.815 20 0 GFADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)o1 ZINC000740270980 601955818 /nfs/dbraw/zinc/95/58/18/601955818.db2.gz ATTSOYAUPSYQCL-ZDUSSCGKSA-N 0 1 383.408 2.790 20 0 GFADMN Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)o1 ZINC000740270980 601955821 /nfs/dbraw/zinc/95/58/21/601955821.db2.gz ATTSOYAUPSYQCL-ZDUSSCGKSA-N 0 1 383.408 2.790 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000740644485 601956120 /nfs/dbraw/zinc/95/61/20/601956120.db2.gz YLUSHMMVMPUZDM-AZUAARDMSA-N 0 1 381.476 2.676 20 0 GFADMN CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000739571983 601957533 /nfs/dbraw/zinc/95/75/33/601957533.db2.gz LCMLTFDTVTTWCE-KRWDZBQOSA-N 0 1 381.476 2.824 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738836229 602080304 /nfs/dbraw/zinc/08/03/04/602080304.db2.gz WXALJOSDLMKLPF-MRXNPFEDSA-N 0 1 376.501 2.716 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCC[C@@H](C)C1 ZINC000739113680 602086631 /nfs/dbraw/zinc/08/66/31/602086631.db2.gz XESHSQWGEZSAJH-BRSBDYLESA-N 0 1 380.533 2.671 20 0 GFADMN O=C([O-])CCCNC(=S)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000833228629 602153357 /nfs/dbraw/zinc/15/33/57/602153357.db2.gz ZNLFRKMHDWBUNJ-QZTJIDSGSA-N 0 1 375.538 2.712 20 0 GFADMN COc1cc(OC)cc([C@@H](NCCC[N@@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000832057153 602167181 /nfs/dbraw/zinc/16/71/81/602167181.db2.gz NETJLVODDIUTOJ-OAQYLSRUSA-N 0 1 384.476 2.868 20 0 GFADMN COc1cc(OC)cc([C@@H](NCCC[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000832057153 602167184 /nfs/dbraw/zinc/16/71/84/602167184.db2.gz NETJLVODDIUTOJ-OAQYLSRUSA-N 0 1 384.476 2.868 20 0 GFADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740186131 602168351 /nfs/dbraw/zinc/16/83/51/602168351.db2.gz ZDXFUPWCDCLYRV-SFHVURJKSA-N 0 1 388.512 2.602 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c(OC)c1 ZINC000832272915 602332119 /nfs/dbraw/zinc/33/21/19/602332119.db2.gz LSXNWYBEFSSLQS-GOSISDBHSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c(OC)c1 ZINC000832272915 602332123 /nfs/dbraw/zinc/33/21/23/602332123.db2.gz LSXNWYBEFSSLQS-GOSISDBHSA-N 0 1 390.480 2.697 20 0 GFADMN CCC(CC)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[NH+]1CCOCC1 ZINC000828854742 602378827 /nfs/dbraw/zinc/37/88/27/602378827.db2.gz RSHPSVBDZPTYLL-KRWDZBQOSA-N 0 1 381.448 2.782 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000740596604 602438135 /nfs/dbraw/zinc/43/81/35/602438135.db2.gz YZCCZAYJLFCWDR-IBGZPJMESA-N 0 1 381.476 2.667 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000740596604 602438137 /nfs/dbraw/zinc/43/81/37/602438137.db2.gz YZCCZAYJLFCWDR-IBGZPJMESA-N 0 1 381.476 2.667 20 0 GFADMN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000739030268 602444958 /nfs/dbraw/zinc/44/49/58/602444958.db2.gz ZCDAIVHOCSRUHH-NSHDSACASA-N 0 1 384.274 2.756 20 0 GFADMN CCN(CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)C1CC1 ZINC000825395984 607570440 /nfs/dbraw/zinc/57/04/40/607570440.db2.gz YTIDQTIRKOQEDV-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)[O-] ZINC000739660794 602534957 /nfs/dbraw/zinc/53/49/57/602534957.db2.gz LUKJQPZYWTZCCG-CQSZACIVSA-N 0 1 389.452 2.598 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)[O-] ZINC000739660794 602534960 /nfs/dbraw/zinc/53/49/60/602534960.db2.gz LUKJQPZYWTZCCG-CQSZACIVSA-N 0 1 389.452 2.598 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1)C(=O)[O-] ZINC000739665091 602543543 /nfs/dbraw/zinc/54/35/43/602543543.db2.gz KFOMKCNEQTUOFF-GFCCVEGCSA-N 0 1 375.450 2.971 20 0 GFADMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738799144 602740212 /nfs/dbraw/zinc/74/02/12/602740212.db2.gz GKJKZZBGRYTDSX-SFHVURJKSA-N 0 1 376.501 2.711 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000739183204 602760554 /nfs/dbraw/zinc/76/05/54/602760554.db2.gz GINRZEXXXMIIJA-YYIAUSFCSA-N 0 1 389.496 2.509 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739176365 602764075 /nfs/dbraw/zinc/76/40/75/602764075.db2.gz DBNCBBBEOVXEGA-SKDRFNHKSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739176365 602764077 /nfs/dbraw/zinc/76/40/77/602764077.db2.gz DBNCBBBEOVXEGA-SKDRFNHKSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@H]1NC(=O)[O-] ZINC000739187991 602765499 /nfs/dbraw/zinc/76/54/99/602765499.db2.gz LGMARDMIBAJCEZ-DTWKUNHWSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@H]1NC(=O)[O-] ZINC000739187991 602765501 /nfs/dbraw/zinc/76/55/01/602765501.db2.gz LGMARDMIBAJCEZ-DTWKUNHWSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC[C@H]1NC(=O)[O-] ZINC000739113853 602770130 /nfs/dbraw/zinc/77/01/30/602770130.db2.gz REJWHKAVJINDDT-RBSFLKMASA-N 0 1 377.510 2.882 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC[C@H]1NC(=O)[O-] ZINC000739113853 602770133 /nfs/dbraw/zinc/77/01/33/602770133.db2.gz REJWHKAVJINDDT-RBSFLKMASA-N 0 1 377.510 2.882 20 0 GFADMN C[C@H]1C[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@@H]1NC(=O)[O-] ZINC000739187823 602775323 /nfs/dbraw/zinc/77/53/23/602775323.db2.gz JDFMNZPAPGMWRB-JQWIXIFHSA-N 0 1 375.498 2.630 20 0 GFADMN C[C@H]1C[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@@H]1NC(=O)[O-] ZINC000739187823 602775324 /nfs/dbraw/zinc/77/53/24/602775324.db2.gz JDFMNZPAPGMWRB-JQWIXIFHSA-N 0 1 375.498 2.630 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC[C@H]1NC(=O)[O-] ZINC000739169944 602791344 /nfs/dbraw/zinc/79/13/44/602791344.db2.gz GLKMDQGYSHVFNZ-DZGCQCFKSA-N 0 1 387.402 2.556 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC[C@H]1NC(=O)[O-] ZINC000739169944 602791347 /nfs/dbraw/zinc/79/13/47/602791347.db2.gz GLKMDQGYSHVFNZ-DZGCQCFKSA-N 0 1 387.402 2.556 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(NC(=O)[O-])CCCC3)c2)C[C@H](C)O1 ZINC000739186052 602840599 /nfs/dbraw/zinc/84/05/99/602840599.db2.gz DIXBOJNHHFTDFY-GASCZTMLSA-N 0 1 375.469 2.815 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(NC(=O)[O-])CCCC3)c2)C[C@H](C)O1 ZINC000739186052 602840603 /nfs/dbraw/zinc/84/06/03/602840603.db2.gz DIXBOJNHHFTDFY-GASCZTMLSA-N 0 1 375.469 2.815 20 0 GFADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737440524 602853421 /nfs/dbraw/zinc/85/34/21/602853421.db2.gz BVEQLBNILGEODZ-UHFFFAOYSA-N 0 1 382.464 2.671 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H](C)N1C(=O)[O-] ZINC000739149208 602949248 /nfs/dbraw/zinc/94/92/48/602949248.db2.gz ZSALURXNSQIEOX-HUUCEWRRSA-N 0 1 392.525 2.840 20 0 GFADMN O=C([O-])N1CCCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000740476464 602950042 /nfs/dbraw/zinc/95/00/42/602950042.db2.gz PEAHBXBAMLIFIL-MRXNPFEDSA-N 0 1 392.525 2.889 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CNC(=O)[O-])o2)[C@@H]1c1cccs1 ZINC000828471790 602989477 /nfs/dbraw/zinc/98/94/77/602989477.db2.gz LIRSSKGHQQQZBG-BLLLJJGKSA-N 0 1 377.466 2.922 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2CCN(C(=O)[O-])CC2)C1 ZINC000739110091 603041684 /nfs/dbraw/zinc/04/16/84/603041684.db2.gz VDWNFUAJMXUEGL-AEFFLSMTSA-N 0 1 380.533 2.672 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1 ZINC000739112012 603077891 /nfs/dbraw/zinc/07/78/91/603077891.db2.gz QUGWPDYWYZOMQF-KXBFYZLASA-N 0 1 388.512 2.764 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738513228 603079129 /nfs/dbraw/zinc/07/91/29/603079129.db2.gz OYTWWUACXANGQE-IAGOWNOFSA-N 0 1 392.500 2.611 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738836239 603092913 /nfs/dbraw/zinc/09/29/13/603092913.db2.gz XGALAQHYLVWOKF-UHFFFAOYSA-N 0 1 376.501 2.905 20 0 GFADMN CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736360706 603131498 /nfs/dbraw/zinc/13/14/98/603131498.db2.gz AMZWERACTJGGLQ-LSDHHAIUSA-N 0 1 387.402 2.688 20 0 GFADMN CN(CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000737423210 603133097 /nfs/dbraw/zinc/13/30/97/603133097.db2.gz RWBSCCNWZGZRKU-HNNXBMFYSA-N 0 1 387.402 2.786 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCC(NC(=O)[O-])CC2)C1 ZINC000739106743 603152164 /nfs/dbraw/zinc/15/21/64/603152164.db2.gz NOGXUIFUENSMHJ-VEZWFGLTSA-N 0 1 380.533 2.861 20 0 GFADMN C[C@@H]1CN(Cc2ccc(C[NH2+]C[C@H]3CCCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186319 603265155 /nfs/dbraw/zinc/26/51/55/603265155.db2.gz DVAKMOSSWSUJFQ-MBOZVWFJSA-N 0 1 375.513 2.775 20 0 GFADMN O=C([O-])N[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000740532004 603287472 /nfs/dbraw/zinc/28/74/72/603287472.db2.gz LQMGDKAVOIYJCK-INIZCTEOSA-N 0 1 393.896 2.885 20 0 GFADMN O=C([O-])N[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000740532004 603287474 /nfs/dbraw/zinc/28/74/74/603287474.db2.gz LQMGDKAVOIYJCK-INIZCTEOSA-N 0 1 393.896 2.885 20 0 GFADMN C[C@H](c1ccc(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825630244 603316442 /nfs/dbraw/zinc/31/64/42/603316442.db2.gz PBKCYCYHRAWAOZ-KYJSFNMBSA-N 0 1 390.484 2.638 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000739081692 603387623 /nfs/dbraw/zinc/38/76/23/603387623.db2.gz RHPQOZMJPLOMCY-GASCZTMLSA-N 0 1 390.484 2.589 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000825639332 603391896 /nfs/dbraw/zinc/39/18/96/603391896.db2.gz SAUWUQRNRSOODW-LSTHTHJFSA-N 0 1 381.476 2.990 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739175162 603411737 /nfs/dbraw/zinc/41/17/37/603411737.db2.gz QSEURVDXPZIERN-FZMZJTMJSA-N 0 1 388.295 2.630 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739175162 603411740 /nfs/dbraw/zinc/41/17/40/603411740.db2.gz QSEURVDXPZIERN-FZMZJTMJSA-N 0 1 388.295 2.630 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828176321 603442403 /nfs/dbraw/zinc/44/24/03/603442403.db2.gz OTMWYSAYRPXYSV-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828176321 603442404 /nfs/dbraw/zinc/44/24/04/603442404.db2.gz OTMWYSAYRPXYSV-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])sc2C1 ZINC000827236081 603447750 /nfs/dbraw/zinc/44/77/50/603447750.db2.gz BYENWTAKXXUUHY-AWEZNQCLSA-N 0 1 388.493 2.729 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])sc2C1 ZINC000827236081 603447753 /nfs/dbraw/zinc/44/77/53/603447753.db2.gz BYENWTAKXXUUHY-AWEZNQCLSA-N 0 1 388.493 2.729 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[C@H]1NC(=O)[O-] ZINC000825996448 603487281 /nfs/dbraw/zinc/48/72/81/603487281.db2.gz MJPURDJKDPPKPK-PSBWJHGTSA-N 0 1 388.512 2.727 20 0 GFADMN CN(C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000827937874 603517929 /nfs/dbraw/zinc/51/79/29/603517929.db2.gz BMXUWWXZADRLRI-GOSISDBHSA-N 0 1 384.480 2.608 20 0 GFADMN COC(=O)c1cccc(-c2nc(C[NH+]3CCC(NC(=O)[O-])CC3)cs2)c1 ZINC000828793942 603550840 /nfs/dbraw/zinc/55/08/40/603550840.db2.gz RVFJCIWFOBGZKS-UHFFFAOYSA-N 0 1 375.450 2.829 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000826066149 603674589 /nfs/dbraw/zinc/67/45/89/603674589.db2.gz CDIYQVSICDKFHY-QFBILLFUSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)C1 ZINC000825950339 603763092 /nfs/dbraw/zinc/76/30/92/603763092.db2.gz GADMKXBLOJBLEJ-INMHGKMJSA-N 0 1 375.469 2.782 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000826676169 603783304 /nfs/dbraw/zinc/78/33/04/603783304.db2.gz WIWREZIDTPLWAC-MGNMYUMUSA-N 0 1 380.533 2.860 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000830824902 603942441 /nfs/dbraw/zinc/94/24/41/603942441.db2.gz VOICCYGIOYPKHK-SJORKVTESA-N 0 1 385.468 2.799 20 0 GFADMN CCN(Cc1ccccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1)C(=O)[O-] 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20 0 GFADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC000833578078 605322598 /nfs/dbraw/zinc/32/25/98/605322598.db2.gz HJJMGJZQCWHISC-INIZCTEOSA-N 0 1 378.856 2.635 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000833848016 605353069 /nfs/dbraw/zinc/35/30/69/605353069.db2.gz KYYFOXSVHIFWOI-NXHRZFHOSA-N 0 1 377.460 2.685 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000833848016 605353075 /nfs/dbraw/zinc/35/30/75/605353075.db2.gz KYYFOXSVHIFWOI-NXHRZFHOSA-N 0 1 377.460 2.685 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000833584078 605361412 /nfs/dbraw/zinc/36/14/12/605361412.db2.gz NEMARRAPGRBMDA-MRXNPFEDSA-N 0 1 380.485 2.998 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)O1 ZINC000833586619 605362609 /nfs/dbraw/zinc/36/26/09/605362609.db2.gz ZBKQQEUESBFSOX-SJLPKXTDSA-N 0 1 387.480 2.976 20 0 GFADMN 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CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000635513664 605516136 /nfs/dbraw/zinc/51/61/36/605516136.db2.gz CTCCZWFVPSLJSU-QGTPRVQTSA-N 0 1 395.450 2.995 20 0 GFADMN CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000635513664 605516140 /nfs/dbraw/zinc/51/61/40/605516140.db2.gz CTCCZWFVPSLJSU-QGTPRVQTSA-N 0 1 395.450 2.995 20 0 GFADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c[nH]1 ZINC000833778881 605557972 /nfs/dbraw/zinc/55/79/72/605557972.db2.gz GPGNUPOUJDLVSM-OAHLLOKOSA-N 0 1 385.468 2.944 20 0 GFADMN O=C([O-])Nc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cn1 ZINC000834260589 605560119 /nfs/dbraw/zinc/56/01/19/605560119.db2.gz VDWYPTNAKOVXKS-UHFFFAOYSA-N 0 1 382.464 2.839 20 0 GFADMN O=C([O-])Nc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cn1 ZINC000834260589 605560123 /nfs/dbraw/zinc/56/01/23/605560123.db2.gz VDWYPTNAKOVXKS-UHFFFAOYSA-N 0 1 382.464 2.839 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000833827849 605682477 /nfs/dbraw/zinc/68/24/77/605682477.db2.gz BGHFAWANLAFLMI-JQWIXIFHSA-N 0 1 385.258 2.698 20 0 GFADMN C[C@@H](CNC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)c1c(Cl)cccc1Cl ZINC000824921683 605688488 /nfs/dbraw/zinc/68/84/88/605688488.db2.gz HGHZVVJETNUCBJ-NSHDSACASA-N 0 1 388.295 2.945 20 0 GFADMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000825121928 605730368 /nfs/dbraw/zinc/73/03/68/605730368.db2.gz PAEHNCBIKPAOSV-AWEZNQCLSA-N 0 1 387.484 2.526 20 0 GFADMN CC(C)(CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000823885713 605802704 /nfs/dbraw/zinc/80/27/04/605802704.db2.gz JGWZEWCOUCGTKW-MRXNPFEDSA-N 0 1 385.468 2.705 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000833832557 605896229 /nfs/dbraw/zinc/89/62/29/605896229.db2.gz UCVONNXIBQXDRU-NEPJUHHUSA-N 0 1 388.295 2.630 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C(=O)[O-])c1 ZINC000833510880 605907611 /nfs/dbraw/zinc/90/76/11/605907611.db2.gz SVPIJKLREOPYJX-UHFFFAOYSA-N 0 1 389.496 2.780 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000740594906 605934237 /nfs/dbraw/zinc/93/42/37/605934237.db2.gz RKYFCPWEELHFJX-HNAYVOBHSA-N 0 1 385.489 2.564 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000740594906 605934239 /nfs/dbraw/zinc/93/42/39/605934239.db2.gz RKYFCPWEELHFJX-HNAYVOBHSA-N 0 1 385.489 2.564 20 0 GFADMN O=C([O-])N1CCCc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c21 ZINC000834117206 606038449 /nfs/dbraw/zinc/03/84/49/606038449.db2.gz WFRDVBHEQQPXRT-LJQANCHMSA-N 0 1 382.460 2.915 20 0 GFADMN CC[C@@H](C)[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859607 606189591 /nfs/dbraw/zinc/18/95/91/606189591.db2.gz GCXNXTYFJFGYCN-RHSMWYFYSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@H](NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000820427587 606307708 /nfs/dbraw/zinc/30/77/08/606307708.db2.gz UAYMLAARIGNILY-LBPRGKRZSA-N 0 1 391.884 2.645 20 0 GFADMN O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000823673752 606421213 /nfs/dbraw/zinc/42/12/13/606421213.db2.gz NKLJIQRTUXMVCG-JSGCOSHPSA-N 0 1 383.399 2.552 20 0 GFADMN O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000823673752 606421215 /nfs/dbraw/zinc/42/12/15/606421215.db2.gz NKLJIQRTUXMVCG-JSGCOSHPSA-N 0 1 383.399 2.552 20 0 GFADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccccc1Cl ZINC000821310617 606598993 /nfs/dbraw/zinc/59/89/93/606598993.db2.gz ZPSCBHPOWZYKKZ-UHFFFAOYSA-N 0 1 378.845 2.753 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000821970523 606600151 /nfs/dbraw/zinc/60/01/51/606600151.db2.gz PEFACRSARBIJQI-WDMOLILDSA-N 0 1 388.497 2.730 20 0 GFADMN OCC1CC[NH+](Cc2ccccc2NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823713052 606657858 /nfs/dbraw/zinc/65/78/58/606657858.db2.gz COFYYLIIQKYPFA-UHFFFAOYSA-N 0 1 384.509 2.745 20 0 GFADMN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821418323 606732163 /nfs/dbraw/zinc/73/21/63/606732163.db2.gz ZRALJFODYIZGJG-AWEZNQCLSA-N 0 1 398.467 2.606 20 0 GFADMN Cc1ccc([C@H](C)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822229529 606892326 /nfs/dbraw/zinc/89/23/26/606892326.db2.gz WNTXIOFHSRNWGK-LLVKDONJSA-N 0 1 393.419 2.535 20 0 GFADMN CC(C)[C@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820050678 606916154 /nfs/dbraw/zinc/91/61/54/606916154.db2.gz FACQJPIDMJFSJT-NRFANRHFSA-N 0 1 390.491 2.738 20 0 GFADMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000822202182 606981051 /nfs/dbraw/zinc/98/10/51/606981051.db2.gz OKEMUSCDNCAJMB-UHFFFAOYSA-N 0 1 385.236 2.678 20 0 GFADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000824261622 607780644 /nfs/dbraw/zinc/78/06/44/607780644.db2.gz NQQGTNMSZURUHL-OAHLLOKOSA-N 0 1 388.520 2.665 20 0 GFADMN CCN1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@H]1C ZINC000825458225 607825546 /nfs/dbraw/zinc/82/55/46/607825546.db2.gz ARFPIWKVNPRJEN-OAHLLOKOSA-N 0 1 391.479 2.777 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000825865635 607902002 /nfs/dbraw/zinc/90/20/02/607902002.db2.gz IYWYOHGURCUJON-UHFFFAOYSA-N 0 1 391.401 2.849 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000825865635 607902003 /nfs/dbraw/zinc/90/20/03/607902003.db2.gz IYWYOHGURCUJON-UHFFFAOYSA-N 0 1 391.401 2.849 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826077152 608021821 /nfs/dbraw/zinc/02/18/21/608021821.db2.gz BLGICGJGMHEKOS-OAHLLOKOSA-N 0 1 396.499 2.510 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826077152 608021822 /nfs/dbraw/zinc/02/18/22/608021822.db2.gz BLGICGJGMHEKOS-OAHLLOKOSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825081148 608021974 /nfs/dbraw/zinc/02/19/74/608021974.db2.gz GTNZDOSFYMLBLK-CQSZACIVSA-N 0 1 396.499 2.573 20 0 GFADMN CC[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825081148 608021975 /nfs/dbraw/zinc/02/19/75/608021975.db2.gz GTNZDOSFYMLBLK-CQSZACIVSA-N 0 1 396.499 2.573 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)ccc1Cl ZINC000825933922 608034521 /nfs/dbraw/zinc/03/45/21/608034521.db2.gz IUCFMDQKVOXMES-UHFFFAOYSA-N 0 1 381.271 2.543 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)ccc1Cl ZINC000825933922 608034522 /nfs/dbraw/zinc/03/45/22/608034522.db2.gz IUCFMDQKVOXMES-UHFFFAOYSA-N 0 1 381.271 2.543 20 0 GFADMN Fc1cccc(CN(CCn2ccnc2)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826376505 608088888 /nfs/dbraw/zinc/08/88/88/608088888.db2.gz GUJDZVABRJPZGJ-UHFFFAOYSA-N 0 1 377.427 2.905 20 0 GFADMN Cc1cc(C)cc([C@@H]2CCN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264457 608128433 /nfs/dbraw/zinc/12/84/33/608128433.db2.gz PDACXTJDVHHHCE-QGZVFWFLSA-N 0 1 376.464 2.912 20 0 GFADMN O=C([C@@H]1CC12CCN(Cc1ccc(-c3nn[nH]n3)cc1F)CC2)N1CCCCC1 ZINC000826398547 608212416 /nfs/dbraw/zinc/21/24/16/608212416.db2.gz ZCLMTSTUWIWXLF-KRWDZBQOSA-N 0 1 398.486 2.620 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826167727 608354451 /nfs/dbraw/zinc/35/44/51/608354451.db2.gz OWEUOFPWQMUAMD-AWEZNQCLSA-N 0 1 390.451 2.649 20 0 GFADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188068 608418635 /nfs/dbraw/zinc/41/86/35/608418635.db2.gz MVFMDXGNNIFANN-NQIIRXRSSA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188068 608418636 /nfs/dbraw/zinc/41/86/36/608418636.db2.gz MVFMDXGNNIFANN-NQIIRXRSSA-N 0 1 397.454 2.887 20 0 GFADMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826282857 608443020 /nfs/dbraw/zinc/44/30/20/608443020.db2.gz DLGHEGMMIRTZKC-OAHLLOKOSA-N 0 1 385.493 2.608 20 0 GFADMN C[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000824562885 608445717 /nfs/dbraw/zinc/44/57/17/608445717.db2.gz KOBCQIXHAJYCFX-NSHDSACASA-N 0 1 388.378 2.757 20 0 GFADMN c1ccc2c(c1)OC[C@@H](CN1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000823868160 608461227 /nfs/dbraw/zinc/46/12/27/608461227.db2.gz PBQPKZJAFOTSCK-GOSISDBHSA-N 0 1 375.432 2.796 20 0 GFADMN C[C@H](NCC(=O)N1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554909 608461921 /nfs/dbraw/zinc/46/19/21/608461921.db2.gz SOOHAIXWFRSANE-ZDUSSCGKSA-N 0 1 380.477 2.656 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826208439 608464401 /nfs/dbraw/zinc/46/44/01/608464401.db2.gz KOFIFPVDGQVWCV-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826169702 608475464 /nfs/dbraw/zinc/47/54/64/608475464.db2.gz BHYZTZUOBIDQJS-CYBMUJFWSA-N 0 1 394.435 2.683 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000826184318 608476380 /nfs/dbraw/zinc/47/63/80/608476380.db2.gz SIMGLLSBUGFXQE-CQSZACIVSA-N 0 1 392.463 2.853 20 0 GFADMN CC(C)COc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000824272322 608508690 /nfs/dbraw/zinc/50/86/90/608508690.db2.gz WAZYBCIRIDGJGD-UHFFFAOYSA-N 0 1 393.495 2.619 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000826412439 608528406 /nfs/dbraw/zinc/52/84/06/608528406.db2.gz NZUNLLICWMMPCK-UHFFFAOYSA-N 0 1 388.475 2.637 20 0 GFADMN Cc1cc(C)n2c(CN(Cc3ccc(-c4nn[nH]n4)cc3)C(C)C)cnc2n1 ZINC000826265530 608532893 /nfs/dbraw/zinc/53/28/93/608532893.db2.gz CUNQYIULETYNTM-UHFFFAOYSA-N 0 1 376.468 2.937 20 0 GFADMN C[C@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572409 608534644 /nfs/dbraw/zinc/53/46/44/608534644.db2.gz URHJEKPELNAPIG-FZMZJTMJSA-N 0 1 391.834 2.750 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824109085 608638026 /nfs/dbraw/zinc/63/80/26/608638026.db2.gz MUGGSVLBWSTLJB-LBPRGKRZSA-N 0 1 378.502 2.807 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](COc2ccccc2)C1 ZINC000824046472 609147289 /nfs/dbraw/zinc/14/72/89/609147289.db2.gz SJDVZNYPKAYXJM-HZPDHXFCSA-N 0 1 392.463 2.595 20 0 GFADMN O=C(O[C@@H]1C=CCC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826462317 609159029 /nfs/dbraw/zinc/15/90/29/609159029.db2.gz VBPRLIIYUNKYCH-CYBMUJFWSA-N 0 1 396.407 2.593 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546065 609169084 /nfs/dbraw/zinc/16/90/84/609169084.db2.gz GQJOMWHXAXXMEL-MLGOLLRUSA-N 0 1 397.870 2.761 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCc3c(C)cc(C)cc32)cc1-c1nn[nH]n1 ZINC000826229458 609298114 /nfs/dbraw/zinc/29/81/14/609298114.db2.gz FORNTIZSTGATLA-UHFFFAOYSA-N 0 1 396.476 2.899 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC(C)(C)Cc2ccccc2C)cc1-c1nn[nH]n1 ZINC000826229583 609298160 /nfs/dbraw/zinc/29/81/60/609298160.db2.gz JPDXJCXWBVGFHT-UHFFFAOYSA-N 0 1 398.492 2.749 20 0 GFADMN Fc1cccc(-n2ccc(NCc3ccc4nc[nH]c4c3)n2)c1-c1nn[nH]n1 ZINC000826376453 609320704 /nfs/dbraw/zinc/32/07/04/609320704.db2.gz FEZHMONMNRBSPL-UHFFFAOYSA-N 0 1 375.371 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1 393.292 2.549 20 0 GFADMN Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000871872651 662738984 /nfs/dbraw/zinc/73/89/84/662738984.db2.gz HXVFQBZYPZHJEP-UHFFFAOYSA-N 0 1 386.539 2.640 20 0 GFADMN NC(=O)[C@@H](NC[C@@H]1CCC12CCOCC2)c1ccc(Br)cc1F ZINC000871920034 662741711 /nfs/dbraw/zinc/74/17/11/662741711.db2.gz BQTYFVBWHCJOIQ-NHYWBVRUSA-N 0 1 385.277 2.911 20 0 GFADMN Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000871923335 662742294 /nfs/dbraw/zinc/74/22/94/662742294.db2.gz OHHMGMNHUKTWNO-UHFFFAOYSA-N 0 1 385.873 2.562 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000871946062 662744972 /nfs/dbraw/zinc/74/49/72/662744972.db2.gz JYXDPSFIWYWVKB-NEPJUHHUSA-N 0 1 388.917 2.745 20 0 GFADMN Cn1nc(Br)c2c1ncnc2N1N=C2CC(C)(C)CC[C@@H]2C1=O ZINC000871949602 662745878 /nfs/dbraw/zinc/74/58/78/662745878.db2.gz GTJCUDVWFCCEKK-QMMMGPOBSA-N 0 1 377.246 2.655 20 0 GFADMN CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)C1 ZINC000871970956 662747911 /nfs/dbraw/zinc/74/79/11/662747911.db2.gz IETZFLQAAMSBJI-JTQLQIEISA-N 0 1 395.308 2.795 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000871981950 662749003 /nfs/dbraw/zinc/74/90/03/662749003.db2.gz UFNHMSXFJHMBNN-GFCCVEGCSA-N 0 1 388.917 2.745 20 0 GFADMN CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000871990172 662749831 /nfs/dbraw/zinc/74/98/31/662749831.db2.gz XZWMQCRRXINCJX-UHFFFAOYSA-N 0 1 376.906 2.745 20 0 GFADMN Cc1cnc(Br)cc1NS(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000872003843 662751653 /nfs/dbraw/zinc/75/16/53/662751653.db2.gz YSMIXLMIEQNVIO-UHFFFAOYSA-N 0 1 399.192 2.706 20 0 GFADMN O=C([O-])C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000872160452 662757155 /nfs/dbraw/zinc/75/71/55/662757155.db2.gz HCRALKRIPKSXCJ-INIZCTEOSA-N 0 1 398.297 2.921 20 0 GFADMN Cn1ncc(I)c1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000872242861 662758987 /nfs/dbraw/zinc/75/89/87/662758987.db2.gz QGKVUGWZXLIRCQ-CYBMUJFWSA-N 0 1 391.640 2.501 20 0 GFADMN COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c(Cl)c1Cl ZINC000872662342 662784249 /nfs/dbraw/zinc/78/42/49/662784249.db2.gz DNZQQVXIGWTDAF-MNOVXSKESA-N 0 1 379.309 2.859 20 0 GFADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3sccc3Br)C2)cn1 ZINC000873644989 662811142 /nfs/dbraw/zinc/81/11/42/662811142.db2.gz IPSNYDKOUSJQBZ-QWRGUYRKSA-N 0 1 384.299 2.934 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)[C@]1(C)CC1(Br)Br ZINC000873993415 662820674 /nfs/dbraw/zinc/82/06/74/662820674.db2.gz LBAASTYLHVSCGA-NSHDSACASA-N 0 1 379.096 2.663 20 0 GFADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(O)ccc3Br)C2)cn1 ZINC000874050652 662821434 /nfs/dbraw/zinc/82/14/34/662821434.db2.gz MXJFDDRNUDRUMX-DGCLKSJQSA-N 0 1 394.269 2.579 20 0 GFADMN CCOC1CC2(C[C@@H]2NC(=O)c2cccc(I)c2O)C1 ZINC000874802032 662836944 /nfs/dbraw/zinc/83/69/44/662836944.db2.gz JCPGZBBUWHBHJZ-RHJSQNMRSA-N 0 1 387.217 2.684 20 0 GFADMN CC(C)(O)[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000874878492 662838789 /nfs/dbraw/zinc/83/87/89/662838789.db2.gz KRCMCBGPCGYUFU-JTQLQIEISA-N 0 1 379.254 2.524 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CCSC1)c1ccsc1 ZINC000875056750 662841353 /nfs/dbraw/zinc/84/13/53/662841353.db2.gz GSXNQHKKWJCGHV-GOEBONIOSA-N 0 1 383.583 2.507 20 0 GFADMN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435274 662846055 /nfs/dbraw/zinc/84/60/55/662846055.db2.gz UFTNUYCMNAWHGD-CVEARBPZSA-N 0 1 392.297 2.961 20 0 GFADMN CN(Cc1cnc2c(cnn2C)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000876783405 662866417 /nfs/dbraw/zinc/86/64/17/662866417.db2.gz AVTDFVZELGGTML-INIZCTEOSA-N 0 1 375.270 2.896 20 0 GFADMN NS(=O)(=O)c1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)o1 ZINC000876804445 662866730 /nfs/dbraw/zinc/86/67/30/662866730.db2.gz QJZBMUQSDYXLAT-UKRRQHHQSA-N 0 1 384.523 2.857 20 0 GFADMN C[C@@H](NC(=O)c1[nH]nc2c1CNCC2)c1cc(F)c(Br)cc1F ZINC000876999915 662869455 /nfs/dbraw/zinc/86/94/55/662869455.db2.gz HOYZZYCJWOXVGW-SSDOTTSWSA-N 0 1 385.212 2.587 20 0 GFADMN N[C@H](C(=O)NCc1cccc2c1CCOC2)c1cccc(Br)c1 ZINC000877202744 662872176 /nfs/dbraw/zinc/87/21/76/662872176.db2.gz FSBMKBORUCMQGD-KRWDZBQOSA-N 0 1 375.266 2.838 20 0 GFADMN COC(=O)c1cc(CNC(C)(C)[C@H](O)c2ccc(Br)cc2)on1 ZINC000877359250 662874433 /nfs/dbraw/zinc/87/44/33/662874433.db2.gz GLYZHVIGNLHITR-CQSZACIVSA-N 0 1 383.242 2.826 20 0 GFADMN N[C@@H](C(=O)N1CCO[C@H](C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000877383208 662875133 /nfs/dbraw/zinc/87/51/33/662875133.db2.gz XBRUPHGUJQUJBV-NWDGAFQWSA-N 0 1 381.192 2.629 20 0 GFADMN CC(C)(C)OC(=O)NC/C=C/CNCc1cnn2cc(Br)cnc12 ZINC000877490579 662877098 /nfs/dbraw/zinc/87/70/98/662877098.db2.gz ZLNOUFXUWHHXKN-SNAWJCMRSA-N 0 1 396.289 2.662 20 0 GFADMN COC(=O)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1Br ZINC000877528520 662878191 /nfs/dbraw/zinc/87/81/91/662878191.db2.gz CWFZSBLPGJUMET-ZDUSSCGKSA-N 0 1 378.270 2.959 20 0 GFADMN COC(=O)c1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000877584240 662879422 /nfs/dbraw/zinc/87/94/22/662879422.db2.gz YBEAOWJBMYNODH-UHFFFAOYSA-N 0 1 381.274 2.941 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000878314798 662893715 /nfs/dbraw/zinc/89/37/15/662893715.db2.gz WAMHSYUBMHJIOJ-QFYYESIMSA-N 0 1 391.269 2.593 20 0 GFADMN OCC[C@H](NC[C@@H](O)C[C@H](O)c1ccccc1)c1ccccc1Br ZINC000878395638 662895249 /nfs/dbraw/zinc/89/52/49/662895249.db2.gz GBZCWPAALZCWBQ-SNRMKQJTSA-N 0 1 394.309 2.947 20 0 GFADMN OC[C@H](NC[C@@H](O)c1cc(Br)no1)c1ccc(C(F)(F)F)cc1 ZINC000878397202 662895402 /nfs/dbraw/zinc/89/54/02/662895402.db2.gz OTZYHGJNSQCRDV-WDEREUQCSA-N 0 1 395.175 2.813 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC000878775158 662904873 /nfs/dbraw/zinc/90/48/73/662904873.db2.gz YMGXAGUIFIKYAI-LLVKDONJSA-N 0 1 393.228 2.501 20 0 GFADMN CC(C)c1nc(CC2CCN(Cc3cn(C)nc3Br)CC2)n[nH]1 ZINC000878797960 662905828 /nfs/dbraw/zinc/90/58/28/662905828.db2.gz SFIFPUXRFSDLPZ-UHFFFAOYSA-N 0 1 381.322 2.879 20 0 GFADMN CC(C)c1nnc(CC2CCN(Cc3cn(C)nc3Br)CC2)[nH]1 ZINC000878797960 662905832 /nfs/dbraw/zinc/90/58/32/662905832.db2.gz SFIFPUXRFSDLPZ-UHFFFAOYSA-N 0 1 381.322 2.879 20 0 GFADMN C[C@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018858 662913429 /nfs/dbraw/zinc/91/34/29/662913429.db2.gz ZPOPJUQQJWPURB-QWRGUYRKSA-N 0 1 382.810 2.697 20 0 GFADMN OCC1(C[C@H](O)CN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000879064062 662915325 /nfs/dbraw/zinc/91/53/25/662915325.db2.gz YCPPSSWNXQVIPD-RCCFBDPRSA-N 0 1 398.341 2.861 20 0 GFADMN CN(Cc1cncc(Br)c1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000879081540 662915802 /nfs/dbraw/zinc/91/58/02/662915802.db2.gz KUUZKCONVULIEL-CQSZACIVSA-N 0 1 388.306 2.504 20 0 GFADMN CSc1cc(C(=O)Nc2nc(SCCO)n[nH]2)ccc1Br ZINC000879170203 662919165 /nfs/dbraw/zinc/91/91/65/662919165.db2.gz STYWVFGWNCAIQJ-UHFFFAOYSA-N 0 1 389.300 2.626 20 0 GFADMN O=C(NC1(C(F)(F)F)CCC1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000879379881 662924986 /nfs/dbraw/zinc/92/49/86/662924986.db2.gz DMLDVEGLZGUEIQ-VIFPVBQESA-N 0 1 375.313 2.572 20 0 GFADMN C[C@@H](CN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1)S(C)(=O)=O ZINC000879652667 662934249 /nfs/dbraw/zinc/93/42/49/662934249.db2.gz CCGIZRKFOXNCPM-KBXCAEBGSA-N 0 1 376.563 2.682 20 0 GFADMN CO[C@@H]1COCC[C@@H]1N(C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000880426918 662959827 /nfs/dbraw/zinc/95/98/27/662959827.db2.gz YSPMAJAWWMMISQ-JKSUJKDBSA-N 0 1 375.296 2.688 20 0 GFADMN COCCN1CCC[C@H]1CNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880805158 662972701 /nfs/dbraw/zinc/97/27/01/662972701.db2.gz FTAHYLWODHNRBC-AWEZNQCLSA-N 0 1 398.301 2.884 20 0 GFADMN CCc1nc([C@@H](C)n2cc([C@](C)(O)c3ccccc3Br)nn2)n[nH]1 ZINC000881385840 662992438 /nfs/dbraw/zinc/99/24/38/662992438.db2.gz ZEDNNMGZJJNBOW-QLJPJBMISA-N 0 1 391.273 2.586 20 0 GFADMN C[S@@](=O)(=NS(=O)(=O)N1CCC(N2CCCCC2)CC1)C1CCCCC1 ZINC000881795882 663003556 /nfs/dbraw/zinc/00/35/56/663003556.db2.gz PGUPGVVXHNXJMT-DEOSSOPVSA-N 0 1 391.603 2.612 20 0 GFADMN C[C@H](CNc1ccc2nnc(Br)n2n1)N1CCc2sccc2C1 ZINC000881796352 663003726 /nfs/dbraw/zinc/00/37/26/663003726.db2.gz XDUKADNCXAEKHE-SNVBAGLBSA-N 0 1 393.314 2.807 20 0 GFADMN C[C@H](NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1)[C@H](O)c1ccc(F)cc1 ZINC000881921908 663009904 /nfs/dbraw/zinc/00/99/04/663009904.db2.gz HAYYPHQIKUWLAW-PJTAIMHYSA-N 0 1 392.518 2.513 20 0 GFADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCc2sc(CN)nc2C1 ZINC000883481123 663055916 /nfs/dbraw/zinc/05/59/16/663055916.db2.gz XYYDROGZXMXUNK-UHFFFAOYSA-N 0 1 391.440 2.676 20 0 GFADMN COC(=O)c1cc(Cl)ccc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC000883549863 663056879 /nfs/dbraw/zinc/05/68/79/663056879.db2.gz YRIZJLSMICGOHA-UHFFFAOYSA-N 0 1 380.857 2.632 20 0 GFADMN CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884070459 663064566 /nfs/dbraw/zinc/06/45/66/663064566.db2.gz MLYIBFFLWGJQLL-HNNXBMFYSA-N 0 1 396.329 2.602 20 0 GFADMN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000884088476 663064822 /nfs/dbraw/zinc/06/48/22/663064822.db2.gz KRNMIYJMJKUBDP-ZBFHGGJFSA-N 0 1 380.535 2.600 20 0 GFADMN N[C@H](C(=O)NC[C@@H]1Cc2ccccc2CO1)c1ccc(Br)cc1 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2.929 20 0 GFADMN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000126774607 551332729 /nfs/dbraw/zinc/33/27/29/551332729.db2.gz PVCXUBMHXNTGAU-UHFFFAOYSA-N 0 1 377.344 2.997 20 0 GFADMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(Br)c1 ZINC000127133677 551337306 /nfs/dbraw/zinc/33/73/06/551337306.db2.gz JSXIDVYCCOMUBH-QZTJIDSGSA-N 0 1 389.293 2.814 20 0 GFADMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSc2nncs2)CC1 ZINC000127315546 551340152 /nfs/dbraw/zinc/34/01/52/551340152.db2.gz YCNHZAWBEAERHT-UHFFFAOYSA-N 0 1 383.930 2.674 20 0 GFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C1(O)CCCC1 ZINC000127997004 551345378 /nfs/dbraw/zinc/34/53/78/551345378.db2.gz MUVGXGUDGZIMNM-UHFFFAOYSA-N 0 1 384.454 2.932 20 0 GFADMN CCCCN(C(=O)CN[C@H](C)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000128485520 551349436 /nfs/dbraw/zinc/34/94/36/551349436.db2.gz LEPOYUXWJKYUBH-PBHICJAKSA-N 0 1 386.945 2.806 20 0 GFADMN C[C@H](CN1CCCN(CC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000129415443 551357162 /nfs/dbraw/zinc/35/71/62/551357162.db2.gz WPAVGLBXQJTPQS-OAHLLOKOSA-N 0 1 382.346 2.649 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1Br ZINC000130801649 551369262 /nfs/dbraw/zinc/36/92/62/551369262.db2.gz GMKSIXVVRHCFAH-UHFFFAOYSA-N 0 1 397.254 2.920 20 0 GFADMN CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000133100680 551381509 /nfs/dbraw/zinc/38/15/09/551381509.db2.gz LFOCDLWKTDJFSZ-LLVKDONJSA-N 0 1 391.269 2.689 20 0 GFADMN O=C(CCCCc1cn[nH]n1)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000139253150 551392006 /nfs/dbraw/zinc/39/20/06/551392006.db2.gz STIOULYIIHRFOJ-UHFFFAOYSA-N 0 1 390.245 2.704 20 0 GFADMN O=C(c1ccc(Br)c(F)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000147895151 551398237 /nfs/dbraw/zinc/39/82/37/551398237.db2.gz GCWDJLQVYAJCBX-CQSZACIVSA-N 0 1 385.277 2.915 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151145820 551408225 /nfs/dbraw/zinc/40/82/25/551408225.db2.gz UZIDDUVRWHBUJN-CQSZACIVSA-N 0 1 397.313 2.973 20 0 GFADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(F)c(I)c1 ZINC000155242587 551495492 /nfs/dbraw/zinc/49/54/92/551495492.db2.gz SHJMRFJKQIWHOP-UWVGGRQHSA-N 0 1 376.213 2.595 20 0 GFADMN O=C1Cc2cc(NS(=O)(=O)c3cc(F)ccc3Br)ccc2N1 ZINC000152463377 551433651 /nfs/dbraw/zinc/43/36/51/551433651.db2.gz AFAGILYBUNCBHF-UHFFFAOYSA-N 0 1 385.214 2.884 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Cl)cc1Br ZINC000152859805 551441022 /nfs/dbraw/zinc/44/10/22/551441022.db2.gz CNRUJGJZRXBYDE-LLVKDONJSA-N 0 1 389.725 2.860 20 0 GFADMN O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)ccc1[O-] ZINC000152927334 551443277 /nfs/dbraw/zinc/44/32/77/551443277.db2.gz PNKXNYFTVAFRFY-DOTOQJQBSA-N 0 1 397.313 2.652 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153562034 551455355 /nfs/dbraw/zinc/45/53/55/551455355.db2.gz CBCIMPDTUGPQHY-QLFBSQMISA-N 0 1 384.567 2.560 20 0 GFADMN Cc1ccc(Br)c(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000154839768 551484468 /nfs/dbraw/zinc/48/44/68/551484468.db2.gz BYHBVAIGUSPYIB-UHFFFAOYSA-N 0 1 389.253 2.640 20 0 GFADMN CN(CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)[C@H]1CCSC1 ZINC000154864819 551484558 /nfs/dbraw/zinc/48/45/58/551484558.db2.gz UVAYGCSKGZHGAZ-KRWDZBQOSA-N 0 1 382.957 2.942 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000155088262 551491326 /nfs/dbraw/zinc/49/13/26/551491326.db2.gz KWGWCGDNHCPEIQ-CQSZACIVSA-N 0 1 393.770 2.950 20 0 GFADMN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000156377237 551521657 /nfs/dbraw/zinc/52/16/57/551521657.db2.gz QDHKPQWUZGGZOF-UHFFFAOYSA-N 0 1 375.233 2.658 20 0 GFADMN CCCNC(=O)CN[C@H]1CCCOc2ccc(I)cc21 ZINC000158332510 551550649 /nfs/dbraw/zinc/55/06/49/551550649.db2.gz GHDHNYKFRZSHKA-ZDUSSCGKSA-N 0 1 388.249 2.621 20 0 GFADMN CC[C@H](CCO)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000158982497 551559855 /nfs/dbraw/zinc/55/98/55/551559855.db2.gz ALPCTLXZNFIUBW-CYBMUJFWSA-N 0 1 382.507 2.748 20 0 GFADMN CO[C@]1(CNCc2ncc(Br)cc2Br)CCOC1 ZINC000160101268 551575247 /nfs/dbraw/zinc/57/52/47/551575247.db2.gz AOUOKLFTGDZYOI-LBPRGKRZSA-N 0 1 380.080 2.502 20 0 GFADMN COc1ccc(OC)c(CCN[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000161984607 551601656 /nfs/dbraw/zinc/60/16/56/551601656.db2.gz NNZQBTKNSXNZOI-KRWDZBQOSA-N 0 1 393.281 2.825 20 0 GFADMN CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000162183850 551604830 /nfs/dbraw/zinc/60/48/30/551604830.db2.gz LPULERVFQBKVEM-CRAIPNDOSA-N 0 1 394.357 2.791 20 0 GFADMN COCCC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000163021562 551615270 /nfs/dbraw/zinc/61/52/70/551615270.db2.gz CRPPPZGVHSRMCL-UHFFFAOYSA-N 0 1 384.242 2.822 20 0 GFADMN C[C@@H](C(=O)N(C)C)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000163210109 551617787 /nfs/dbraw/zinc/61/77/87/551617787.db2.gz HPKOOQPSZREMFJ-LBPRGKRZSA-N 0 1 382.302 2.576 20 0 GFADMN CCn1cc(Br)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000171257446 551651379 /nfs/dbraw/zinc/65/13/79/551651379.db2.gz SFQXXUVNNFQWOJ-UHFFFAOYSA-N 0 1 392.301 2.670 20 0 GFADMN O=C(Cc1ccccc1O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171275319 551652069 /nfs/dbraw/zinc/65/20/69/551652069.db2.gz DPCIIBARHQFGIR-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN O=C(Cc1ccccc1O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171275319 551652072 /nfs/dbraw/zinc/65/20/72/551652072.db2.gz DPCIIBARHQFGIR-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(Br)cn1 ZINC000171384568 551654430 /nfs/dbraw/zinc/65/44/30/551654430.db2.gz PVIFZZYBMLPZEE-UHFFFAOYSA-N 0 1 375.270 2.634 20 0 GFADMN COC(=O)CCN(CC(C)C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171796645 551663842 /nfs/dbraw/zinc/66/38/42/551663842.db2.gz IAQTXQVAOQAGNQ-UHFFFAOYSA-N 0 1 382.258 2.987 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000173092395 551695242 /nfs/dbraw/zinc/69/52/42/551695242.db2.gz JWFVJKKROXVIKC-NOZJJQNGSA-N 0 1 385.251 2.787 20 0 GFADMN CC(C)OCCN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000173960818 552096011 /nfs/dbraw/zinc/09/60/11/552096011.db2.gz HKUOOHXLSGSTRH-MRXNPFEDSA-N 0 1 391.339 2.776 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)cn1C ZINC000174049120 552097863 /nfs/dbraw/zinc/09/78/63/552097863.db2.gz LSVGALDDRLVRKQ-UHFFFAOYSA-N 0 1 376.356 2.717 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(CCc2ccccc2)CC1 ZINC000174925875 552112682 /nfs/dbraw/zinc/11/26/82/552112682.db2.gz XPQDAEKLYZGSOA-UHFFFAOYSA-N 0 1 380.564 2.680 20 0 GFADMN CNC(=O)CC1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000175008174 552113494 /nfs/dbraw/zinc/11/34/94/552113494.db2.gz CTYSXFUKNSWWMM-UHFFFAOYSA-N 0 1 386.323 2.800 20 0 GFADMN C[C@](O)(CNC(=O)CSc1n[nH]c(=S)s1)c1ccc(F)cc1F ZINC000175376602 552120601 /nfs/dbraw/zinc/12/06/01/552120601.db2.gz UPZKHRFBKWMTNG-ZDUSSCGKSA-N 0 1 377.463 2.595 20 0 GFADMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000175451645 552122171 /nfs/dbraw/zinc/12/21/71/552122171.db2.gz YHAQJUQOPYOIPZ-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN C[C@H](Oc1ccccc1Br)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000175858594 552130137 /nfs/dbraw/zinc/13/01/37/552130137.db2.gz CEOMWDRYMKMNOM-AWEZNQCLSA-N 0 1 397.313 2.540 20 0 GFADMN O=C(CCc1nc[nH]n1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000177239912 552152340 /nfs/dbraw/zinc/15/23/40/552152340.db2.gz GZYRSQUVQWDVNS-ZDUSSCGKSA-N 0 1 396.232 2.706 20 0 GFADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178104594 552164413 /nfs/dbraw/zinc/16/44/13/552164413.db2.gz RSOPPJXXRUIONI-UONOGXRCSA-N 0 1 387.307 2.941 20 0 GFADMN COC(=O)C[C@H]1CCCN1CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179124737 552184845 /nfs/dbraw/zinc/18/48/45/552184845.db2.gz KIWJUMYGSWIPMA-SWLSCSKDSA-N 0 1 383.286 2.654 20 0 GFADMN CC[C@H](CO)N1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000179402995 552192232 /nfs/dbraw/zinc/19/22/32/552192232.db2.gz LPXNDOLZOXBJPF-RHSMWYFYSA-N 0 1 383.330 2.858 20 0 GFADMN C[C@H]1CN(C2CCN(C(=O)COc3ccccc3Br)CC2)CCO1 ZINC000179524839 552195455 /nfs/dbraw/zinc/19/54/55/552195455.db2.gz XOJWGSAEQVDRLM-AWEZNQCLSA-N 0 1 397.313 2.540 20 0 GFADMN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179679906 552199851 /nfs/dbraw/zinc/19/98/51/552199851.db2.gz SFXCYVHEBIZDAW-LBPRGKRZSA-N 0 1 378.351 2.879 20 0 GFADMN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000180113930 552213999 /nfs/dbraw/zinc/21/39/99/552213999.db2.gz SODFAJVGXVVZNB-ZCFIWIBFSA-N 0 1 394.316 2.901 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H]2CCOC3(CCCC3)C2)sc1Br ZINC000180111418 552214016 /nfs/dbraw/zinc/21/40/16/552214016.db2.gz VLAWNPCUOVVNDT-SNVBAGLBSA-N 0 1 395.344 2.984 20 0 GFADMN Cc1cc(Br)ccc1CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000180145571 552215036 /nfs/dbraw/zinc/21/50/36/552215036.db2.gz RUKSWQJHDJMZDD-GASCZTMLSA-N 0 1 383.330 2.916 20 0 GFADMN Cc1c([C@@H](C)NCCS(=O)(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000180466397 552227051 /nfs/dbraw/zinc/22/70/51/552227051.db2.gz GBZVJPSUAWDMLJ-CYBMUJFWSA-N 0 1 384.933 2.813 20 0 GFADMN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000180931047 552240891 /nfs/dbraw/zinc/24/08/91/552240891.db2.gz OZZQROSECXOESC-NSHDSACASA-N 0 1 378.351 2.879 20 0 GFADMN C[C@@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038444 552243698 /nfs/dbraw/zinc/24/36/98/552243698.db2.gz SKALNTXNICUAJJ-UKRRQHHQSA-N 0 1 386.323 2.577 20 0 GFADMN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033079 552243869 /nfs/dbraw/zinc/24/38/69/552243869.db2.gz QJTKCVKBQGSASP-HIFRSBDPSA-N 0 1 386.323 2.577 20 0 GFADMN CN1CCCN(C(=O)Nc2cnc(Br)c(Br)c2)CC1 ZINC000181624584 552262997 /nfs/dbraw/zinc/26/29/97/552262997.db2.gz UVVFJFJOGCBSQC-UHFFFAOYSA-N 0 1 392.095 2.776 20 0 GFADMN Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000181639313 552263320 /nfs/dbraw/zinc/26/33/20/552263320.db2.gz XVRFIFIFPPNKIZ-GDBMZVCRSA-N 0 1 381.519 2.695 20 0 GFADMN COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012413 552272831 /nfs/dbraw/zinc/27/28/31/552272831.db2.gz BUEZZZOXBJIMFK-NWDGAFQWSA-N 0 1 395.301 2.861 20 0 GFADMN O=S(=O)(C[C@H](O)CN[C@@H]1CCCOc2cc(F)ccc21)c1cccs1 ZINC000182164569 552277140 /nfs/dbraw/zinc/27/71/40/552277140.db2.gz NMHDUIMDLMFEPW-UKRRQHHQSA-N 0 1 385.482 2.525 20 0 GFADMN Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cnc1Br ZINC000182423842 552283781 /nfs/dbraw/zinc/28/37/81/552283781.db2.gz KOPUSGVVBWGHTA-HNNXBMFYSA-N 0 1 398.349 2.546 20 0 GFADMN CC[C@@H](NCc1cc(C(=O)OC)sc1C)c1cccc(S(N)(=O)=O)c1 ZINC000183032037 552298979 /nfs/dbraw/zinc/29/89/79/552298979.db2.gz XCRUUKHJPBVQFK-OAHLLOKOSA-N 0 1 382.507 2.731 20 0 GFADMN C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@H](C)CO1 ZINC000183058121 552299273 /nfs/dbraw/zinc/29/92/73/552299273.db2.gz JFWVLIHKGCFKMB-GHMZBOCLSA-N 0 1 394.273 2.553 20 0 GFADMN C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H](C)CO1 ZINC000183058121 552299276 /nfs/dbraw/zinc/29/92/76/552299276.db2.gz JFWVLIHKGCFKMB-GHMZBOCLSA-N 0 1 394.273 2.553 20 0 GFADMN C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H](C)CO1 ZINC000183058175 552299416 /nfs/dbraw/zinc/29/94/16/552299416.db2.gz JFWVLIHKGCFKMB-QWRGUYRKSA-N 0 1 394.273 2.553 20 0 GFADMN C[C@H]1CN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C)CO1 ZINC000183058175 552299417 /nfs/dbraw/zinc/29/94/17/552299417.db2.gz JFWVLIHKGCFKMB-QWRGUYRKSA-N 0 1 394.273 2.553 20 0 GFADMN Cc1c([C@@H](C)NCCS(=O)(=O)c2cccc(Br)c2)cnn1C ZINC000183326401 552306038 /nfs/dbraw/zinc/30/60/38/552306038.db2.gz GPXFAIXINAYJRJ-LLVKDONJSA-N 0 1 386.315 2.616 20 0 GFADMN CC(C)(CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CCOCC1 ZINC000183394758 552307930 /nfs/dbraw/zinc/30/79/30/552307930.db2.gz FBILBBSHYGDDEO-UHFFFAOYSA-N 0 1 384.311 2.775 20 0 GFADMN CNc1nnc(CC(=O)Nc2cc(CN3CCSCC3)ccc2C)s1 ZINC000183484587 552310721 /nfs/dbraw/zinc/31/07/21/552310721.db2.gz FTYBIBKAXWTNGE-UHFFFAOYSA-N 0 1 377.539 2.618 20 0 GFADMN Fc1ccc(CCNCc2cn(Cc3cccnc3)nn2)cc1Br ZINC000183560659 552313674 /nfs/dbraw/zinc/31/36/74/552313674.db2.gz KZWCJZOSVNEGKT-UHFFFAOYSA-N 0 1 390.260 2.955 20 0 GFADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1nnc2ccccn21 ZINC000183800421 552319864 /nfs/dbraw/zinc/31/98/64/552319864.db2.gz SAHMRIUFWWWHHW-GFCCVEGCSA-N 0 1 388.269 2.999 20 0 GFADMN CCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C(=O)[O-] 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CC(=O)Nc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1C ZINC000506688493 564209072 /nfs/dbraw/zinc/20/90/72/564209072.db2.gz GWOCKSXPXVNCPJ-UHFFFAOYSA-N 0 1 384.255 2.912 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(F)c(F)cc1I ZINC000472087963 564212511 /nfs/dbraw/zinc/21/25/11/564212511.db2.gz KHOLBHISSSCNPB-SECBINFHSA-N 0 1 394.203 2.736 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000472103358 564212922 /nfs/dbraw/zinc/21/29/22/564212922.db2.gz DGGQYAUQKKGFOJ-UHFFFAOYSA-N 0 1 392.924 2.955 20 0 GFADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cncc(I)c1 ZINC000506918280 564214639 /nfs/dbraw/zinc/21/46/39/564214639.db2.gz RCDMNXWFJMADLP-UHFFFAOYSA-N 0 1 382.083 2.680 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000507028175 564216075 /nfs/dbraw/zinc/21/60/75/564216075.db2.gz SQRIHZZZZASDAQ-UHFFFAOYSA-N 0 1 376.360 2.833 20 0 GFADMN C[C@@H](F)CCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000507010930 564216248 /nfs/dbraw/zinc/21/62/48/564216248.db2.gz IAPLMZZKJUKIMI-MRVPVSSYSA-N 0 1 388.180 2.611 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507021553 564216428 /nfs/dbraw/zinc/21/64/28/564216428.db2.gz NWXAYUXKCYMJBM-UHFFFAOYSA-N 0 1 389.886 2.688 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1cc(F)c(F)cc1I ZINC000564084864 564219324 /nfs/dbraw/zinc/21/93/24/564219324.db2.gz XSOQVTPBBWFWIW-SECBINFHSA-N 0 1 394.203 2.784 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1cc(F)c(F)cc1I ZINC000564084891 564219373 /nfs/dbraw/zinc/21/93/73/564219373.db2.gz XSOQVTPBBWFWIW-VIFPVBQESA-N 0 1 394.203 2.784 20 0 GFADMN O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000564261131 564226857 /nfs/dbraw/zinc/22/68/57/564226857.db2.gz SVPYUXYLXXKVGR-NSHDSACASA-N 0 1 375.475 2.598 20 0 GFADMN C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000507433377 564229021 /nfs/dbraw/zinc/22/90/21/564229021.db2.gz LHAHGRLTRTXNKZ-UHFFFAOYSA-N 0 1 388.339 2.762 20 0 GFADMN CN1CCO[C@@H]2CCN(c3ncc(Br)cc3C(F)(F)F)C[C@H]21 ZINC000450511762 564236617 /nfs/dbraw/zinc/23/66/17/564236617.db2.gz RGGDVTLIXIJIDY-VXGBXAGGSA-N 0 1 380.208 2.772 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CCN1C ZINC000540017670 564237085 /nfs/dbraw/zinc/23/70/85/564237085.db2.gz BZBZXJRTOVHXJB-STQMWFEESA-N 0 1 377.286 2.799 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)NC(C)(C)Cc2ccc(Cl)cc2Cl)C1 ZINC000472989133 564238175 /nfs/dbraw/zinc/23/81/75/564238175.db2.gz WLNNALHMNGUPEE-OAHLLOKOSA-N 0 1 387.355 2.860 20 0 GFADMN CCOC(=O)c1nn(C)cc1CNC[C@H](C)Oc1cccc(Br)c1 ZINC000473123387 564239910 /nfs/dbraw/zinc/23/99/10/564239910.db2.gz YIVBIUYFEOVKCI-LBPRGKRZSA-N 0 1 396.285 2.916 20 0 GFADMN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1cc(Br)ccc1C ZINC000450714350 564244876 /nfs/dbraw/zinc/24/48/76/564244876.db2.gz VUXFWFDFRDUZJX-INIZCTEOSA-N 0 1 398.345 2.740 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)cn1 ZINC000507879229 564245900 /nfs/dbraw/zinc/24/59/00/564245900.db2.gz QRJNPXLADXEEBX-UHFFFAOYSA-N 0 1 379.182 2.932 20 0 GFADMN COC(=O)CCN1CCN(CCOc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000540422833 564247832 /nfs/dbraw/zinc/24/78/32/564247832.db2.gz XVQQAZORFMDUAK-CYBMUJFWSA-N 0 1 375.296 2.941 20 0 GFADMN CN(Cc1c[nH]nn1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000450827810 564249412 /nfs/dbraw/zinc/24/94/12/564249412.db2.gz IWBHOFBADVOFAA-AWEZNQCLSA-N 0 1 381.274 2.757 20 0 GFADMN CCC(=O)c1cccc(S(=O)(=O)Nc2cnc(C(=O)OC)c(Cl)c2)c1 ZINC000508066669 564251806 /nfs/dbraw/zinc/25/18/06/564251806.db2.gz DGMOLMVHZPJJAW-UHFFFAOYSA-N 0 1 382.825 2.915 20 0 GFADMN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000473865081 564255522 /nfs/dbraw/zinc/25/55/22/564255522.db2.gz VOUKRSXMWJAKSC-UHFFFAOYSA-N 0 1 399.315 2.646 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1Cl ZINC000473952203 564259505 /nfs/dbraw/zinc/25/95/05/564259505.db2.gz QASXHXKUSLSVJN-QWHCGFSZSA-N 0 1 388.917 2.525 20 0 GFADMN C[C@@](CO)(NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035984 564266343 /nfs/dbraw/zinc/26/63/43/564266343.db2.gz HGGCPRFEXLYFHN-QAPCUYQASA-N 0 1 386.275 2.936 20 0 GFADMN COc1c(NS(=O)(=O)c2cc(Br)ccc2C)cccc1C(N)=O ZINC000541123557 564267040 /nfs/dbraw/zinc/26/70/40/564267040.db2.gz DTNRGOVMFKQVAZ-UHFFFAOYSA-N 0 1 399.266 2.666 20 0 GFADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCc2c1cc(F)cc2F ZINC000451064306 564268874 /nfs/dbraw/zinc/26/88/74/564268874.db2.gz OKGUYKVGRICEGV-GFCCVEGCSA-N 0 1 387.326 2.541 20 0 GFADMN CCCc1ccc(S(=O)(=O)Nc2ccc(OC)cc2S(C)(=O)=O)cc1 ZINC000451096184 564274064 /nfs/dbraw/zinc/27/40/64/564274064.db2.gz AVNRWLALCJDYKZ-UHFFFAOYSA-N 0 1 383.491 2.852 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@H](C)Cc2cccc(Cl)c2)ccc1O ZINC000509088093 564281981 /nfs/dbraw/zinc/28/19/81/564281981.db2.gz ZEUBIFHZEQZMEB-LLVKDONJSA-N 0 1 382.869 2.771 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)C[C@@H]1N(C)C ZINC000509222044 564288728 /nfs/dbraw/zinc/28/87/28/564288728.db2.gz FUZMTKKTIDSSMS-QWHCGFSZSA-N 0 1 382.473 2.680 20 0 GFADMN CN(C)C(=O)NCCN(C)Cc1ccc(Br)c(Br)c1 ZINC000541774787 564289189 /nfs/dbraw/zinc/28/91/89/564289189.db2.gz KQDNLQVLWKUWKB-UHFFFAOYSA-N 0 1 393.123 2.915 20 0 GFADMN Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451242722 564290427 /nfs/dbraw/zinc/29/04/27/564290427.db2.gz OBSNGVNPDWWMRD-UHFFFAOYSA-N 0 1 377.388 2.675 20 0 GFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C1=CCOCC1 ZINC000474893640 564292875 /nfs/dbraw/zinc/29/28/75/564292875.db2.gz DYWKXQPSFQGIMB-UHFFFAOYSA-N 0 1 382.438 2.973 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000451279510 564295017 /nfs/dbraw/zinc/29/50/17/564295017.db2.gz XIXDBTGQGMYDIU-SNVBAGLBSA-N 0 1 393.684 2.770 20 0 GFADMN CC(C)C[C@]1(C)CCCN1CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000451291452 564296984 /nfs/dbraw/zinc/29/69/84/564296984.db2.gz OUPHYVQPPYJCGN-KRWDZBQOSA-N 0 1 387.933 2.827 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c(Cl)c1 ZINC000565855296 564298445 /nfs/dbraw/zinc/29/84/45/564298445.db2.gz RFGLKBDURGPCAR-UHFFFAOYSA-N 0 1 381.841 2.893 20 0 GFADMN O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000451309472 564298582 /nfs/dbraw/zinc/29/85/82/564298582.db2.gz WTEUPONDFJUDCL-AXAPSJFSSA-N 0 1 380.286 2.687 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000542081891 564300678 /nfs/dbraw/zinc/30/06/78/564300678.db2.gz JMVLPFDRGPHKHY-CYBMUJFWSA-N 0 1 381.270 2.954 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000565896958 564300908 /nfs/dbraw/zinc/30/09/08/564300908.db2.gz BJJIDIDIDZHADY-UHFFFAOYSA-N 0 1 394.852 2.617 20 0 GFADMN Cc1nccc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)c1Cl ZINC000509510722 564302276 /nfs/dbraw/zinc/30/22/76/564302276.db2.gz LEIUDPWPFJIQFW-UHFFFAOYSA-N 0 1 378.256 2.648 20 0 GFADMN CS(=O)(=O)c1ccc(CNCc2ccc(Cl)cc2-n2cncn2)s1 ZINC000475204603 564302840 /nfs/dbraw/zinc/30/28/40/564302840.db2.gz HPCZFYDEUMVBFC-UHFFFAOYSA-N 0 1 382.898 2.676 20 0 GFADMN CC[N@@H+](CCCOc1cccc(I)c1)CCC(=O)[O-] ZINC000565957821 564304282 /nfs/dbraw/zinc/30/42/82/564304282.db2.gz SUDYZOBDILEQBK-UHFFFAOYSA-N 0 1 377.222 2.857 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000566026787 564307023 /nfs/dbraw/zinc/30/70/23/564307023.db2.gz GUJJRMAILVEGRC-UHFFFAOYSA-N 0 1 376.469 2.792 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)N1CCC(C)CC1 ZINC000542254347 564307905 /nfs/dbraw/zinc/30/79/05/564307905.db2.gz RZHYAPKCJDGYTC-CQSZACIVSA-N 0 1 376.469 2.729 20 0 GFADMN COc1cncc(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000542314624 564309397 /nfs/dbraw/zinc/30/93/97/564309397.db2.gz SSTQUYCLVNACHN-CXAGYDPISA-N 0 1 381.523 2.513 20 0 GFADMN CN(C)C(=O)C1(NCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000451408812 564310440 /nfs/dbraw/zinc/31/04/40/564310440.db2.gz ZRYLQAKJOVNKFD-UHFFFAOYSA-N 0 1 382.302 2.768 20 0 GFADMN CC[C@H](C)[C@H](OC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000475532964 564311331 /nfs/dbraw/zinc/31/13/31/564311331.db2.gz SMPOSTCJNFCSBM-HZMBPMFUSA-N 0 1 381.274 2.912 20 0 GFADMN CC[C@H](C)[C@H](OC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000475532964 564311334 /nfs/dbraw/zinc/31/13/34/564311334.db2.gz SMPOSTCJNFCSBM-HZMBPMFUSA-N 0 1 381.274 2.912 20 0 GFADMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(Br)cc1F ZINC000475573397 564312319 /nfs/dbraw/zinc/31/23/19/564312319.db2.gz SGZLIGSBLAFCNU-LLVKDONJSA-N 0 1 379.295 2.741 20 0 GFADMN O=C([C@H]1CCCCS1(=O)=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000542462578 564314384 /nfs/dbraw/zinc/31/43/84/564314384.db2.gz LAKUZPYDOHNHPB-LSDHHAIUSA-N 0 1 381.885 2.847 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000451453666 564314999 /nfs/dbraw/zinc/31/49/99/564314999.db2.gz OGWSBSYNWQYUQE-MAUKXSAKSA-N 0 1 381.567 2.913 20 0 GFADMN Cc1cc([C@H](C)NCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000542509442 564316246 /nfs/dbraw/zinc/31/62/46/564316246.db2.gz BIROKZONAPMKFC-HOCLYGCPSA-N 0 1 386.583 2.687 20 0 GFADMN CO[C@]1(C)C[C@@H](NCc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481960 564317820 /nfs/dbraw/zinc/31/78/20/564317820.db2.gz BWAVHSNCAHHYBB-CZUORRHYSA-N 0 1 380.290 2.718 20 0 GFADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000542674519 564320616 /nfs/dbraw/zinc/32/06/16/564320616.db2.gz SVWQJWDOVWJWRR-CQSZACIVSA-N 0 1 385.221 2.656 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451506199 564320825 /nfs/dbraw/zinc/32/08/25/564320825.db2.gz UMEZAKRIJXZJEN-CYBMUJFWSA-N 0 1 393.322 2.834 20 0 GFADMN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3ccsc32)cc1C ZINC000475822784 564322199 /nfs/dbraw/zinc/32/21/99/564322199.db2.gz WWLJRQCYBBJVLX-UHFFFAOYSA-N 0 1 396.515 2.919 20 0 GFADMN C[C@H]1C[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@H+]1C ZINC000542748824 564323643 /nfs/dbraw/zinc/32/36/43/564323643.db2.gz UPPWYIWPWHRBPO-QWHCGFSZSA-N 0 1 399.333 2.783 20 0 GFADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566408667 564326367 /nfs/dbraw/zinc/32/63/67/564326367.db2.gz YCYXCWBUEJTVOF-SMDDNHRTSA-N 0 1 391.273 2.612 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccccc2S(C)(=O)=O)cc1Cl ZINC000476232133 564331600 /nfs/dbraw/zinc/33/16/00/564331600.db2.gz NCPQQATWTZBNKK-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN Ic1cnc(CNC[C@H]2CCCCN2C2CC2)s1 ZINC000511764129 564381294 /nfs/dbraw/zinc/38/12/94/564381294.db2.gz CJMWKXFATSVVQX-LLVKDONJSA-N 0 1 377.295 2.854 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCO[C@H]2CCC[C@H]21 ZINC000566664216 564337201 /nfs/dbraw/zinc/33/72/01/564337201.db2.gz LUKVVYWXCZFWHB-OLZOCXBDSA-N 0 1 379.258 2.788 20 0 GFADMN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(Br)c1 ZINC000566674384 564338061 /nfs/dbraw/zinc/33/80/61/564338061.db2.gz MKJOVNVODGCLQU-NWDGAFQWSA-N 0 1 379.258 2.659 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1n[nH]c(C(C)C)n1 ZINC000451680988 564339581 /nfs/dbraw/zinc/33/95/81/564339581.db2.gz VMQORABHXCZPOM-UHFFFAOYSA-N 0 1 387.303 2.786 20 0 GFADMN CS(=O)(=O)NCCNC1(c2ccccc2Br)CCCCC1 ZINC000451690291 564340056 /nfs/dbraw/zinc/34/00/56/564340056.db2.gz NZTKKDPUIXBUEU-UHFFFAOYSA-N 0 1 375.332 2.747 20 0 GFADMN CCCSc1nc(=NC(=O)NCC[N@H+]2CCc3ccccc3C2)s[n-]1 ZINC000476494659 564341599 /nfs/dbraw/zinc/34/15/99/564341599.db2.gz NRHVWHYPXCRSND-UHFFFAOYSA-N 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Cn1cc(Br)c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n1 ZINC000662774915 565384953 /nfs/dbraw/zinc/38/49/53/565384953.db2.gz UUEGBHRNHLLOJI-CYBMUJFWSA-N 0 1 383.677 2.623 20 0 GFADMN COC(=O)C1(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000594443905 565385780 /nfs/dbraw/zinc/38/57/80/565385780.db2.gz ILTHLVPYCBHFKJ-UHFFFAOYSA-N 0 1 396.266 2.849 20 0 GFADMN CC(C)c1nc(CC2CCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)n[nH]1 ZINC000641644274 565390336 /nfs/dbraw/zinc/39/03/36/565390336.db2.gz NBPKUMMJCNPHMV-ZDUSSCGKSA-N 0 1 376.473 2.558 20 0 GFADMN CC(C)c1nnc(CC2CCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)[nH]1 ZINC000641644274 565390340 /nfs/dbraw/zinc/39/03/40/565390340.db2.gz NBPKUMMJCNPHMV-ZDUSSCGKSA-N 0 1 376.473 2.558 20 0 GFADMN CC(C)c1nc(CC2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)n[nH]1 ZINC000641644448 565390573 /nfs/dbraw/zinc/39/05/73/565390573.db2.gz RBLXIQRRZHXSQA-UHFFFAOYSA-N 0 1 383.905 2.620 20 0 GFADMN CC(C)c1nnc(CC2CCN(S(=O)(=O)c3cncc(Cl)c3)CC2)[nH]1 ZINC000641644448 565390579 /nfs/dbraw/zinc/39/05/79/565390579.db2.gz RBLXIQRRZHXSQA-UHFFFAOYSA-N 0 1 383.905 2.620 20 0 GFADMN C[C@@](N)(C(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(Br)cc1 ZINC000663001737 565392631 /nfs/dbraw/zinc/39/26/31/565392631.db2.gz IZZIKCGPLGMNPA-GJZGRUSLSA-N 0 1 377.229 2.506 20 0 GFADMN CN1CCN(C)[C@H](CNCc2cc(Br)sc2Br)C1 ZINC000641720169 565396546 /nfs/dbraw/zinc/39/65/46/565396546.db2.gz DNFXTKJMGAWQJZ-SNVBAGLBSA-N 0 1 397.180 2.609 20 0 GFADMN NC(=O)[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000663312464 565411016 /nfs/dbraw/zinc/41/10/16/565411016.db2.gz XZZZBQHWAMQPAC-ROUUACIJSA-N 0 1 388.309 2.840 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000642427356 565412771 /nfs/dbraw/zinc/41/27/71/565412771.db2.gz HQMNUGXKNQSYCW-UHFFFAOYSA-N 0 1 383.334 2.905 20 0 GFADMN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369682 565414705 /nfs/dbraw/zinc/41/47/05/565414705.db2.gz DZBKTQCLKFMTAE-JQWIXIFHSA-N 0 1 388.693 2.927 20 0 GFADMN C[C@H]1CN(C(C)(C)CNc2nnc3ccc(Br)cn32)C[C@H](C)O1 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GFADMN COc1cccc(CNC[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000644533222 565480901 /nfs/dbraw/zinc/48/09/01/565480901.db2.gz ZSZNBWOXIBBSIZ-AWEZNQCLSA-N 0 1 385.233 2.521 20 0 GFADMN CS(=O)(=O)c1cccc(Cl)c1CNCC1CCN(CC(F)F)CC1 ZINC000623089694 565495242 /nfs/dbraw/zinc/49/52/42/565495242.db2.gz UKXIQJDVEPDKGH-UHFFFAOYSA-N 0 1 380.888 2.810 20 0 GFADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000665304085 565495805 /nfs/dbraw/zinc/49/58/05/565495805.db2.gz XYPGOGATNUBULI-SNVBAGLBSA-N 0 1 381.263 2.919 20 0 GFADMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1ccnc3c(Br)cccc13)C2 ZINC000665346373 565497109 /nfs/dbraw/zinc/49/71/09/565497109.db2.gz PKLBNNCMIKPFFA-SJKOYZFVSA-N 0 1 377.238 2.530 20 0 GFADMN COc1cc(CNCCS(=O)(=O)NCC2CCC2)cc(C(F)(F)F)c1 ZINC000623411376 565509653 /nfs/dbraw/zinc/50/96/53/565509653.db2.gz BRKYCZYGCYFMSB-UHFFFAOYSA-N 0 1 380.432 2.523 20 0 GFADMN C[C@](N)(C(=O)NCCCN1CCCCCC1=O)c1ccc(Br)cc1 ZINC000645158745 565514364 /nfs/dbraw/zinc/51/43/64/565514364.db2.gz 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CCC(F)(F)C(C)(C)CS(=O)(=O)N(CCN(C)C)Cc1ccccn1 ZINC000624962023 565585833 /nfs/dbraw/zinc/58/58/33/565585833.db2.gz QNNSTYXALCZITD-UHFFFAOYSA-N 0 1 377.501 2.847 20 0 GFADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CO)CN1CCCC1 ZINC000646221214 565591690 /nfs/dbraw/zinc/59/16/90/565591690.db2.gz BQSPWGLLGXHYEU-JSGCOSHPSA-N 0 1 387.343 2.503 20 0 GFADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)CCc1c(F)cccc1F ZINC000625049974 565592995 /nfs/dbraw/zinc/59/29/95/565592995.db2.gz DDRQCNMGTCOLNV-UHFFFAOYSA-N 0 1 388.505 2.962 20 0 GFADMN O=C([C@@H](c1ccc(Br)cc1)N1CCCC1)N1CCc2nc[nH]c2C1 ZINC000646260518 565593488 /nfs/dbraw/zinc/59/34/88/565593488.db2.gz ODQFBJSVZCXDFA-QGZVFWFLSA-N 0 1 389.297 2.894 20 0 GFADMN C[C@H]1COCCN1C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000646315830 565596356 /nfs/dbraw/zinc/59/63/56/565596356.db2.gz PFVPFDYTJMOBHP-LBPRGKRZSA-N 0 1 385.277 2.914 20 0 GFADMN CN(CC1CN(C)C1)C(=O)c1ccc(I)cc1Cl ZINC000598165931 565597127 /nfs/dbraw/zinc/59/71/27/565597127.db2.gz ZWMJPQRSMCKYQA-UHFFFAOYSA-N 0 1 378.641 2.578 20 0 GFADMN CSc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000646559468 565609179 /nfs/dbraw/zinc/60/91/79/565609179.db2.gz GKBABKACBUFDTH-CYBMUJFWSA-N 0 1 381.498 2.967 20 0 GFADMN O=C(COCC(F)(F)F)Nc1nc2ccc(I)cc2[nH]1 ZINC000598426311 565616039 /nfs/dbraw/zinc/61/60/39/565616039.db2.gz ZSTJABGPMSBIPR-UHFFFAOYSA-N 0 1 399.110 2.685 20 0 GFADMN CCCN(C(=O)C(=O)Nc1cc(Br)ccc1C)[C@H]1CCN(C)C1 ZINC000646766744 565617407 /nfs/dbraw/zinc/61/74/07/565617407.db2.gz AGWZUBFKPNSVHU-AWEZNQCLSA-N 0 1 382.302 2.639 20 0 GFADMN CCCN(C(=O)C(=O)Nc1cc(C)cc(Br)c1)[C@H]1CCN(C)C1 ZINC000646764154 565617779 /nfs/dbraw/zinc/61/77/79/565617779.db2.gz OFFDJQYNWYQRTD-HNNXBMFYSA-N 0 1 382.302 2.639 20 0 GFADMN COCCC[N@@H+](CCO)Cc1cc(Br)c([O-])c(Br)c1 ZINC000668031954 565619819 /nfs/dbraw/zinc/61/98/19/565619819.db2.gz NOORCSOLDRUHAE-UHFFFAOYSA-N 0 1 397.107 2.748 20 0 GFADMN COc1cc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)cc(OC)c1OC ZINC000647122701 565637814 /nfs/dbraw/zinc/63/78/14/565637814.db2.gz 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ZINC000627264161 565730425 /nfs/dbraw/zinc/73/04/25/565730425.db2.gz PAVFTTRKVBOJQU-VHSXEESVSA-N 0 1 391.668 2.523 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000600477668 565731787 /nfs/dbraw/zinc/73/17/87/565731787.db2.gz ZFONKKUZNBSIHM-NSHDSACASA-N 0 1 399.720 2.559 20 0 GFADMN O=C(c1cc2c(cncc2Br)s1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000648838112 565733475 /nfs/dbraw/zinc/73/34/75/565733475.db2.gz UUOURLSGZKUKNF-MRVPVSSYSA-N 0 1 393.270 2.592 20 0 GFADMN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600524952 565735026 /nfs/dbraw/zinc/73/50/26/565735026.db2.gz GVDKXUWZGBLUDH-ZDUSSCGKSA-N 0 1 380.901 2.780 20 0 GFADMN COc1cc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)ccc1Br ZINC000627428180 565736574 /nfs/dbraw/zinc/73/65/74/565736574.db2.gz YFAZHLWTDWFITJ-CYBMUJFWSA-N 0 1 397.313 2.783 20 0 GFADMN CCCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CCN(C)C1 ZINC000648996936 565743937 /nfs/dbraw/zinc/74/39/37/565743937.db2.gz FFDVXLHIGOSTPE-HNNXBMFYSA-N 0 1 377.286 2.949 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000627689114 565747426 /nfs/dbraw/zinc/74/74/26/565747426.db2.gz MIWPEBMYPCCACU-UHFFFAOYSA-N 0 1 398.345 2.604 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCSCC[C@@H]1C)c1ccsc1 ZINC000670969521 565748917 /nfs/dbraw/zinc/74/89/17/565748917.db2.gz DQQKNMVESNTKFD-HOCLYGCPSA-N 0 1 383.583 2.601 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000671518030 565772302 /nfs/dbraw/zinc/77/23/02/565772302.db2.gz BTEPJARGQDULND-OTYXRUKQSA-N 0 1 390.241 2.651 20 0 GFADMN O=C(CCc1ccc(Br)cc1F)N1CCC(N2CCOCC2)CC1 ZINC000628126331 565774539 /nfs/dbraw/zinc/77/45/39/565774539.db2.gz LRXDVGXHRQUBLP-UHFFFAOYSA-N 0 1 399.304 2.844 20 0 GFADMN CC1(C)[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)[C@H]2CCCO[C@H]21 ZINC000649801796 565778931 /nfs/dbraw/zinc/77/89/31/565778931.db2.gz ILZUOJGEJOLYND-LERXQTSPSA-N 0 1 379.400 2.893 20 0 GFADMN CCCOc1c(Br)cc(CN(C)[C@@]2(CO)CCOC2)cc1OC ZINC000628366261 565786163 /nfs/dbraw/zinc/78/61/63/565786163.db2.gz 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565834896 /nfs/dbraw/zinc/83/48/96/565834896.db2.gz JTUVZMIPUYFSAF-UHFFFAOYSA-N 0 1 382.295 2.971 20 0 GFADMN Cc1ccc(NS(=O)(=O)CCc2c(F)cccc2F)c(S(C)(=O)=O)c1 ZINC000629350994 565846940 /nfs/dbraw/zinc/84/69/40/565846940.db2.gz RDPIIRCWOHNXFN-UHFFFAOYSA-N 0 1 389.445 2.661 20 0 GFADMN COC(=O)C[C@@H](NC(=O)c1oc(CN)cc1C)c1ccc(Br)cc1 ZINC000602443765 565848746 /nfs/dbraw/zinc/84/87/46/565848746.db2.gz LEYMRHDRMBBTRO-CQSZACIVSA-N 0 1 395.253 2.843 20 0 GFADMN C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000629379470 565849289 /nfs/dbraw/zinc/84/92/89/565849289.db2.gz YFFKAVGTTMXCTA-OCCSQVGLSA-N 0 1 393.285 2.546 20 0 GFADMN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1c[nH]nn1 ZINC000673919152 565853550 /nfs/dbraw/zinc/85/35/50/565853550.db2.gz UMVHRWRQIXKPKK-UHFFFAOYSA-N 0 1 379.251 2.773 20 0 GFADMN COC(=O)c1cc(CN[C@H]2CCN(c3ccccc3Br)C2)on1 ZINC000602547218 565854185 /nfs/dbraw/zinc/85/41/85/565854185.db2.gz LZXJAPCKQCXWIZ-NSHDSACASA-N 0 1 380.242 2.592 20 0 GFADMN CCOC(=O)c1cc(CNC[C@@H](CO)Cc2cccc(Br)c2)on1 ZINC000602638264 565860055 /nfs/dbraw/zinc/86/00/55/565860055.db2.gz OUNVSDCLBBGEMI-ZDUSSCGKSA-N 0 1 397.269 2.555 20 0 GFADMN COc1ncc(Br)cc1CNC[C@H](O)COc1ccc(C)cc1 ZINC000629592751 565861589 /nfs/dbraw/zinc/86/15/89/565861589.db2.gz DOWTXUMNPBKQGU-HNNXBMFYSA-N 0 1 381.270 2.691 20 0 GFADMN O[C@@H]1CCN(C2CN(c3ccc4c(Br)ccc(Cl)c4n3)C2)C1 ZINC000651451806 565864896 /nfs/dbraw/zinc/86/48/96/565864896.db2.gz VMXGVAHASDPQOW-LLVKDONJSA-N 0 1 382.689 2.906 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000674347193 565870703 /nfs/dbraw/zinc/87/07/03/565870703.db2.gz XRJNGWXYLLTCAB-LLVKDONJSA-N 0 1 379.295 2.741 20 0 GFADMN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCCN1CC[C@H](O)C1 ZINC000629916020 565875328 /nfs/dbraw/zinc/87/53/28/565875328.db2.gz QRXJBZWRDFAAQF-LBPRGKRZSA-N 0 1 384.263 2.753 20 0 GFADMN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCc1c[nH]nn1 ZINC000674756180 565882429 /nfs/dbraw/zinc/88/24/29/565882429.db2.gz JFHSQYBNCCPNOD-UHFFFAOYSA-N 0 1 378.255 2.550 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2OC)ccc1NC(N)=O ZINC000675548962 565909554 /nfs/dbraw/zinc/90/95/54/565909554.db2.gz BPIFSKLTMUUVBG-UHFFFAOYSA-N 0 1 385.829 2.649 20 0 GFADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCSC)cc1 ZINC000603499289 565909571 /nfs/dbraw/zinc/90/95/71/565909571.db2.gz VFWODPFPLWWMEM-UHFFFAOYSA-N 0 1 380.491 2.589 20 0 GFADMN CN1CCN(C)[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000603513853 565910144 /nfs/dbraw/zinc/91/01/44/565910144.db2.gz FRZPNOOOKLBZOO-INIZCTEOSA-N 0 1 395.370 2.908 20 0 GFADMN O=C(Nc1nnc(CC(F)(F)F)s1)c1nnn(C2CC2)c1C(F)(F)F ZINC000675944561 565920958 /nfs/dbraw/zinc/92/09/58/565920958.db2.gz WWJHYMZRDDNGHK-UHFFFAOYSA-N 0 1 386.281 2.840 20 0 GFADMN [NH3+]CC1(CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000652378761 565926779 /nfs/dbraw/zinc/92/67/79/565926779.db2.gz BFEFDZPXGLFKKK-UHFFFAOYSA-N 0 1 385.686 2.649 20 0 GFADMN COCCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000630944243 565927854 /nfs/dbraw/zinc/92/78/54/565927854.db2.gz VDPQYOMQOMCBHK-DZJNRPSUSA-N 0 1 393.325 2.562 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652391269 565928958 /nfs/dbraw/zinc/92/89/58/565928958.db2.gz PBQJMEBHDZDYDJ-LLVKDONJSA-N 0 1 377.242 2.627 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCN(c2cccc(O)c2)CC1 ZINC000676335904 565932385 /nfs/dbraw/zinc/93/23/85/565932385.db2.gz MQOFTNXJDLOUFM-UHFFFAOYSA-N 0 1 377.238 2.823 20 0 GFADMN C[C@H](CNCc1cn(C[C@H]2CCOC2)nn1)Oc1ccc(Br)cc1 ZINC000631080945 565938480 /nfs/dbraw/zinc/93/84/80/565938480.db2.gz CPXDJJIUTDICJU-ZIAGYGMSSA-N 0 1 395.301 2.634 20 0 GFADMN Clc1cc(Br)cnc1CNCc1n[nH]c(C2CCOCC2)n1 ZINC000631214280 565949726 /nfs/dbraw/zinc/94/97/26/565949726.db2.gz UPEGWOOPWGZWOW-UHFFFAOYSA-N 0 1 386.681 2.799 20 0 GFADMN CN(CCN1CCCCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000652989656 565951006 /nfs/dbraw/zinc/95/10/06/565951006.db2.gz PAEDCIFAEAQRLQ-UHFFFAOYSA-N 0 1 392.297 2.849 20 0 GFADMN Cc1c(Br)csc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000631258623 565951118 /nfs/dbraw/zinc/95/11/18/565951118.db2.gz CKVANWLQGDEYGX-GFCCVEGCSA-N 0 1 386.359 2.717 20 0 GFADMN C[C@H](CNC(=O)c1cccc2c(Br)cccc12)N1CCN(C)CC1 ZINC000631277363 565952321 /nfs/dbraw/zinc/95/23/21/565952321.db2.gz FWINVWCVVXZZRZ-CQSZACIVSA-N 0 1 390.325 2.968 20 0 GFADMN C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000677421204 565973719 /nfs/dbraw/zinc/97/37/19/565973719.db2.gz NRMVKIYMHYQHKE-BDAKNGLRSA-N 0 1 384.242 2.821 20 0 GFADMN CNC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(OC)cc2F)c(Cl)c1 ZINC000677810618 565984546 /nfs/dbraw/zinc/98/45/46/565984546.db2.gz JYCQZFLPPGQJMD-UHFFFAOYSA-N 0 1 390.795 2.787 20 0 GFADMN CN1CCN(C(=O)CSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)CC1 ZINC000607761059 565988521 /nfs/dbraw/zinc/98/85/21/565988521.db2.gz DXATWBNJAUPQFL-UHFFFAOYSA-N 0 1 386.308 2.645 20 0 GFADMN COc1ccc([C@@H](C)NCC(=O)N2CCOC[C@@H]2C2CC2)cc1Br ZINC000678733931 566018263 /nfs/dbraw/zinc/01/82/63/566018263.db2.gz SKUVSUUZUOXOMH-MLGOLLRUSA-N 0 1 397.313 2.746 20 0 GFADMN O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451650 566033184 /nfs/dbraw/zinc/03/31/84/566033184.db2.gz WOLDIXDXUZZVGW-UHFFFAOYSA-N 0 1 398.472 2.642 20 0 GFADMN O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC(N2CCCOCC2)CC1 ZINC000632451650 566033189 /nfs/dbraw/zinc/03/31/89/566033189.db2.gz WOLDIXDXUZZVGW-UHFFFAOYSA-N 0 1 398.472 2.642 20 0 GFADMN O=C(N[C@H](CO)c1ccc(Br)cc1)c1c[nH]c2ccccc2c1=O ZINC000679274910 566035253 /nfs/dbraw/zinc/03/52/53/566035253.db2.gz YEBKBVOCMZNJBG-MRXNPFEDSA-N 0 1 387.233 2.754 20 0 GFADMN CSc1ccc(NS(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)cn1 ZINC000609321521 566036105 /nfs/dbraw/zinc/03/61/05/566036105.db2.gz CYLHKNZJWZUHNB-UHFFFAOYSA-N 0 1 386.520 2.625 20 0 GFADMN Cc1ccc(Br)c(C)c1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655230964 566047038 /nfs/dbraw/zinc/04/70/38/566047038.db2.gz UQQHWWWPMGMVJS-GFCCVEGCSA-N 0 1 379.258 2.966 20 0 GFADMN O=C(Cc1ccc(Br)c(Cl)c1)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655242157 566048380 /nfs/dbraw/zinc/04/83/80/566048380.db2.gz MANSQZPQPXNABU-LBPRGKRZSA-N 0 1 399.676 2.931 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)CCCN1C[C@H](CO)OC[C@@H]1C ZINC000679820210 566054058 /nfs/dbraw/zinc/05/40/58/566054058.db2.gz YTVHWZSHBYQBIW-GOEBONIOSA-N 0 1 399.329 2.866 20 0 GFADMN COc1ccccc1[C@@H](CO)NC[C@H](O)COc1cccc(Br)c1 ZINC000679827005 566055522 /nfs/dbraw/zinc/05/55/22/566055522.db2.gz NSRBGIQRCOQLNU-WMLDXEAASA-N 0 1 396.281 2.521 20 0 GFADMN Cc1cc(CNC(=O)c2cc(F)c(F)cc2I)n[nH]1 ZINC000610758679 566097382 /nfs/dbraw/zinc/09/73/82/566097382.db2.gz GERPDKYMWFKFLR-UHFFFAOYSA-N 0 1 377.132 2.531 20 0 GFADMN CC(C)(C)n1nnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000655637682 566075290 /nfs/dbraw/zinc/07/52/90/566075290.db2.gz ISDFALVSUIACEA-UHFFFAOYSA-N 0 1 398.703 2.867 20 0 GFADMN CN(C)CC1(CNC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CCCC1 ZINC000680570341 566076503 /nfs/dbraw/zinc/07/65/03/566076503.db2.gz WKXKBORMGRWPCF-UHFFFAOYSA-N 0 1 392.974 2.555 20 0 GFADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1OC(F)(F)F ZINC000655668552 566080497 /nfs/dbraw/zinc/08/04/97/566080497.db2.gz GSIWBTQZPBVNLW-STQMWFEESA-N 0 1 378.416 2.880 20 0 GFADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1Br ZINC000655669277 566081811 /nfs/dbraw/zinc/08/18/11/566081811.db2.gz OEAILTPDXLSMJH-KGLIPLIRSA-N 0 1 391.306 2.883 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000655743283 566085501 /nfs/dbraw/zinc/08/55/01/566085501.db2.gz FPLAVXSAKRHRHA-OAHLLOKOSA-N 0 1 389.297 2.796 20 0 GFADMN CCOC(=O)c1sc(CNS(=O)(=O)c2c(F)cc(F)cc2F)nc1C ZINC000610549758 566086449 /nfs/dbraw/zinc/08/64/49/566086449.db2.gz LULOJBLWEABFFO-UHFFFAOYSA-N 0 1 394.396 2.524 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1C(=O)NCC[C@H]1C ZINC000655769888 566088822 /nfs/dbraw/zinc/08/88/22/566088822.db2.gz RLAWLNUPCYDRIL-BDJLRTHQSA-N 0 1 377.286 2.557 20 0 GFADMN CCNC(=O)C(C)(C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655792469 566089901 /nfs/dbraw/zinc/08/99/01/566089901.db2.gz 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ZINC000656220721 566114465 /nfs/dbraw/zinc/11/44/65/566114465.db2.gz VNJOBPLUEKJJBA-SNVBAGLBSA-N 0 1 388.269 2.526 20 0 GFADMN COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000611103298 566115176 /nfs/dbraw/zinc/11/51/76/566115176.db2.gz HNEXNZPWQQZOPX-UHFFFAOYSA-N 0 1 383.857 2.569 20 0 GFADMN CN1C(=O)NC2(CCN(Cc3oc4ccccc4c3Br)CC2)C1=O ZINC000656261214 566120925 /nfs/dbraw/zinc/12/09/25/566120925.db2.gz FZBQUQAPLNWUCP-UHFFFAOYSA-N 0 1 392.253 2.712 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1c(C)ccc2cccnc21)c1cccs1 ZINC000611493810 566132647 /nfs/dbraw/zinc/13/26/47/566132647.db2.gz PKBCTRSTRVCFJT-HNNXBMFYSA-N 0 1 376.459 2.797 20 0 GFADMN Cc1ccc(CC(=O)NCc2n[nH]c(C3CCOCC3)n2)c(Br)c1 ZINC000634004995 566137823 /nfs/dbraw/zinc/13/78/23/566137823.db2.gz IZUDKYWKKZJTHS-UHFFFAOYSA-N 0 1 393.285 2.629 20 0 GFADMN COc1ccc(CN(C)C[C@@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000682219592 566147514 /nfs/dbraw/zinc/14/75/14/566147514.db2.gz SQUDPQVIWQFIDM-OAHLLOKOSA-N 0 1 399.260 2.864 20 0 GFADMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2OC)cc1 ZINC000656633562 566150959 /nfs/dbraw/zinc/15/09/59/566150959.db2.gz DDVNPIXKBBZYGH-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN CN(C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656736149 566161617 /nfs/dbraw/zinc/16/16/17/566161617.db2.gz XCMPPQBAUJOVDU-UHFFFAOYSA-N 0 1 381.723 2.817 20 0 GFADMN Cc1ccnc(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1C1CC1 ZINC000656739488 566163877 /nfs/dbraw/zinc/16/38/77/566163877.db2.gz ZNYNXRUMBGBAJM-UHFFFAOYSA-N 0 1 380.491 2.613 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000656756938 566165167 /nfs/dbraw/zinc/16/51/67/566165167.db2.gz OXJHRFOAJXCQJO-CHWSQXEVSA-N 0 1 376.197 2.685 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1CCO[C@@H]1CC1(F)F ZINC000656756938 566165170 /nfs/dbraw/zinc/16/51/70/566165170.db2.gz OXJHRFOAJXCQJO-CHWSQXEVSA-N 0 1 376.197 2.685 20 0 GFADMN C[C@](O)(C[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000634721159 566172474 /nfs/dbraw/zinc/17/24/74/566172474.db2.gz UPXNKIUJMLNSTL-KCXAZCMYSA-N 0 1 381.822 2.894 20 0 GFADMN Cn1ncc(Br)c1CNC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000634725787 566173858 /nfs/dbraw/zinc/17/38/58/566173858.db2.gz DBAPCYYGUWQDGL-GFCCVEGCSA-N 0 1 392.219 2.895 20 0 GFADMN Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000682899738 566176159 /nfs/dbraw/zinc/17/61/59/566176159.db2.gz RDUKFSUBQAYXEX-MLGOLLRUSA-N 0 1 381.263 2.861 20 0 GFADMN C[C@](CO)(NS(=O)(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000656911344 566181043 /nfs/dbraw/zinc/18/10/43/566181043.db2.gz XZKZCAGYFSNZPL-OAHLLOKOSA-N 0 1 375.368 2.597 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)C[C@H]1C ZINC000613148002 566185886 /nfs/dbraw/zinc/18/58/86/566185886.db2.gz JVTRYIAOFOPPKH-NEPJUHHUSA-N 0 1 383.286 2.775 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000635019252 566189632 /nfs/dbraw/zinc/18/96/32/566189632.db2.gz BPIDKIIDVXWNHI-YOEHRIQHSA-N 0 1 387.263 2.522 20 0 GFADMN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000656947854 566191399 /nfs/dbraw/zinc/19/13/99/566191399.db2.gz KZMJNFLHSVSUFL-ZYHUDNBSSA-N 0 1 380.436 2.780 20 0 GFADMN COCCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613310895 566194387 /nfs/dbraw/zinc/19/43/87/566194387.db2.gz NXEIYIWDEAYZIS-LLVKDONJSA-N 0 1 395.257 2.651 20 0 GFADMN C[C@@H](NS(=O)(=O)c1ncccc1Br)[C@H](c1ccccc1)N(C)C ZINC000656961041 566194536 /nfs/dbraw/zinc/19/45/36/566194536.db2.gz FHMLMHWDWVZMNP-IUODEOHRSA-N 0 1 398.326 2.814 20 0 GFADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ncc(Br)s1 ZINC000683408762 566198358 /nfs/dbraw/zinc/19/83/58/566198358.db2.gz UDNAEQXCWZJISP-UHFFFAOYSA-N 0 1 382.218 2.760 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ncc(Br)s1 ZINC000683408762 566198361 /nfs/dbraw/zinc/19/83/61/566198361.db2.gz UDNAEQXCWZJISP-UHFFFAOYSA-N 0 1 382.218 2.760 20 0 GFADMN O=S(=O)(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccccc1O ZINC000656984509 566200623 /nfs/dbraw/zinc/20/06/23/566200623.db2.gz KOMHUBFMACMEBH-OAHLLOKOSA-N 0 1 383.267 2.979 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)N(C)C ZINC000657002283 566204232 /nfs/dbraw/zinc/20/42/32/566204232.db2.gz ICPPNTFAWPIIMK-ZETCQYMHSA-N 0 1 390.130 2.984 20 0 GFADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)CO[C@H](C)COC ZINC000683676549 566209413 /nfs/dbraw/zinc/20/94/13/566209413.db2.gz DXWLIALZHYFZOW-BMFZPTHFSA-N 0 1 386.330 2.998 20 0 GFADMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000657060950 566214731 /nfs/dbraw/zinc/21/47/31/566214731.db2.gz KGPJAJLAOTYNBZ-SNVBAGLBSA-N 0 1 379.295 2.739 20 0 GFADMN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635774231 566224907 /nfs/dbraw/zinc/22/49/07/566224907.db2.gz AUJXBMNGYLPMTC-GYSYKLTISA-N 0 1 379.247 2.742 20 0 GFADMN CCN(CC)CCS(=O)(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000657135129 566228435 /nfs/dbraw/zinc/22/84/35/566228435.db2.gz PRKFPRRSGIERQF-AWEZNQCLSA-N 0 1 383.341 2.630 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCCC[C@H]2C)cc1-c1nn[nH]n1 ZINC000737187374 598922381 /nfs/dbraw/zinc/92/23/81/598922381.db2.gz RDUWHTFVGGKJSU-MNOVXSKESA-N 0 1 376.486 2.635 20 0 GFADMN Cc1occc1-c1nnc(Sc2c3ccccc3nnc2-c2nn[nH]n2)n1C ZINC000737552896 598934806 /nfs/dbraw/zinc/93/48/06/598934806.db2.gz SADKDDJTUQTPLZ-UHFFFAOYSA-N 0 1 391.420 2.658 20 0 GFADMN Cc1ccccc1C[C@H]1CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737425848 598947496 /nfs/dbraw/zinc/94/74/96/598947496.db2.gz FCOFVRCEBOIBIK-LJQANCHMSA-N 0 1 376.464 2.821 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1OCC1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738342762 598950982 /nfs/dbraw/zinc/95/09/82/598950982.db2.gz PIXJMRXGNUTSLN-UHFFFAOYSA-N 0 1 389.412 2.595 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000737187052 598964569 /nfs/dbraw/zinc/96/45/69/598964569.db2.gz OGDWXNKSLGIDJL-NSHDSACASA-N 0 1 376.486 2.588 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000737188078 599108742 /nfs/dbraw/zinc/10/87/42/599108742.db2.gz XZJNVWLGICWCRR-WCQYABFASA-N 0 1 396.476 2.707 20 0 GFADMN CC1(C)[C@@H]2CN(CC(=O)Nc3sc4c(c3-c3nn[nH]n3)CCCCC4)C[C@@H]21 ZINC000736206045 599146553 /nfs/dbraw/zinc/14/65/53/599146553.db2.gz MCTPJVGBZSPCQI-BETUJISGSA-N 0 1 386.525 2.723 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1sccc1-c1nn[nH]n1 ZINC000823379668 599207906 /nfs/dbraw/zinc/20/79/06/599207906.db2.gz CUEVIIFIZZHVHX-UHFFFAOYSA-N 0 1 390.226 2.819 20 0 GFADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295828 599221672 /nfs/dbraw/zinc/22/16/72/599221672.db2.gz YTHAYMKPKGVWPR-YPMHNXCESA-N 0 1 391.932 2.776 20 0 GFADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@H](c1ccco1)N(C)C ZINC000737265158 599256598 /nfs/dbraw/zinc/25/65/98/599256598.db2.gz XZTYDOFAJSJTEK-OAHLLOKOSA-N 0 1 381.415 2.592 20 0 GFADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000666540882 597814480 /nfs/dbraw/zinc/81/44/80/597814480.db2.gz UWANLESCJDSZIL-DRRJLQACSA-N 0 1 385.508 2.840 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3scnc3c2)cc1-c1nn[nH]n1 ZINC000737187810 598288762 /nfs/dbraw/zinc/28/87/62/598288762.db2.gz VRGIWWPERSPNKB-UHFFFAOYSA-N 0 1 385.434 2.551 20 0 GFADMN CC(C)CCC[C@@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735798434 598503707 /nfs/dbraw/zinc/50/37/07/598503707.db2.gz WORPSOHELWHWMP-CQSZACIVSA-N 0 1 382.468 2.513 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000736759696 598624209 /nfs/dbraw/zinc/62/42/09/598624209.db2.gz OFZICJSRJWOPFR-INIZCTEOSA-N 0 1 387.394 2.569 20 0 GFADMN CCCC[C@@H]([NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccc(OC)cc1 ZINC000736439188 598698016 /nfs/dbraw/zinc/69/80/16/598698016.db2.gz RYJUEIJTLDSRQK-GOSISDBHSA-N 0 1 392.467 2.939 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736400949 598715364 /nfs/dbraw/zinc/71/53/64/598715364.db2.gz FMGGNJKEBFEKFK-OAHLLOKOSA-N 0 1 385.516 2.567 20 0 GFADMN O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737845338 598759203 /nfs/dbraw/zinc/75/92/03/598759203.db2.gz ZFBAYKMOIPZMAH-CQSZACIVSA-N 0 1 397.508 2.911 20 0 GFADMN O=C(CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737845338 598759205 /nfs/dbraw/zinc/75/92/05/598759205.db2.gz ZFBAYKMOIPZMAH-CQSZACIVSA-N 0 1 397.508 2.911 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000737187090 598778975 /nfs/dbraw/zinc/77/89/75/598778975.db2.gz OVMOXSLFLYSDOH-WDEREUQCSA-N 0 1 376.486 2.634 20 0 GFADMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432552 599355633 /nfs/dbraw/zinc/35/56/33/599355633.db2.gz AQYZIIRZHJRBBB-PBHICJAKSA-N 0 1 379.468 2.884 20 0 GFADMN C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820427523 599378291 /nfs/dbraw/zinc/37/82/91/599378291.db2.gz SEFUGDXQXPZVFK-AWEZNQCLSA-N 0 1 382.443 2.693 20 0 GFADMN FC(F)(F)Oc1ccccc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737625961 599483185 /nfs/dbraw/zinc/48/31/85/599483185.db2.gz DYMBBRFRAJZFGA-UHFFFAOYSA-N 0 1 389.341 2.703 20 0 GFADMN 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ZINC000273799000 599722147 /nfs/dbraw/zinc/72/21/47/599722147.db2.gz WTSUTCGYIDRVHQ-OAHLLOKOSA-N 0 1 394.880 2.591 20 0 GFADMN CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)c2cccs2)CC1 ZINC000736796590 599766778 /nfs/dbraw/zinc/76/67/78/599766778.db2.gz FXBJHLRMLRIRQB-CYBMUJFWSA-N 0 1 398.506 2.791 20 0 GFADMN O=C([O-])c1cccc(OCC[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739473467 599786632 /nfs/dbraw/zinc/78/66/32/599786632.db2.gz ZAMNXXKQIOYXER-KRWDZBQOSA-N 0 1 387.411 2.799 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)CC3 ZINC000656765900 599795112 /nfs/dbraw/zinc/79/51/12/599795112.db2.gz MJKAVKXEPBFESV-MRXNPFEDSA-N 0 1 380.444 2.973 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)CC3 ZINC000656765900 599795115 /nfs/dbraw/zinc/79/51/15/599795115.db2.gz MJKAVKXEPBFESV-MRXNPFEDSA-N 0 1 380.444 2.973 20 0 GFADMN CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)C1 ZINC000737112856 599802389 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CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000736465811 600223234 /nfs/dbraw/zinc/22/32/34/600223234.db2.gz KFNQWJJTXVBJBN-QGZVFWFLSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc(Cc2nn(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)c(=S)o2)cc1 ZINC000738015114 600280691 /nfs/dbraw/zinc/28/06/91/600280691.db2.gz FENLPDKVGQTHPW-HNNXBMFYSA-N 0 1 389.477 2.949 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000184967872 600309818 /nfs/dbraw/zinc/30/98/18/600309818.db2.gz BBXNBHOBPNZDPA-DOTOQJQBSA-N 0 1 394.537 2.968 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736788873 600311841 /nfs/dbraw/zinc/31/18/41/600311841.db2.gz HHRZYJVHNSFTPG-KGLIPLIRSA-N 0 1 386.539 2.721 20 0 GFADMN Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-])CCC2 ZINC000738873122 600337328 /nfs/dbraw/zinc/33/73/28/600337328.db2.gz OUQIMCUESBLPNE-GRRFOWRYSA-N 0 1 381.523 2.652 20 0 GFADMN COCC[N@@H+]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@H]1C 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ZINC000832323217 600716745 /nfs/dbraw/zinc/71/67/45/600716745.db2.gz FIGADAMFTMGKHW-CVEARBPZSA-N 0 1 375.469 2.550 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736814233 600719768 /nfs/dbraw/zinc/71/97/68/600719768.db2.gz JCMYDPYOGMYQQU-KRWDZBQOSA-N 0 1 381.476 2.920 20 0 GFADMN Cc1cccc(-c2nn(C[N@H+](CCC(=O)[O-])C3CCOCC3)c(=S)n2C)c1 ZINC000832959919 600719864 /nfs/dbraw/zinc/71/98/64/600719864.db2.gz BYQQEWFKFIRQIN-UHFFFAOYSA-N 0 1 390.509 2.840 20 0 GFADMN Cc1cccc(-c2nn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c(=S)n2C)c1 ZINC000832959919 600719866 /nfs/dbraw/zinc/71/98/66/600719866.db2.gz BYQQEWFKFIRQIN-UHFFFAOYSA-N 0 1 390.509 2.840 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000382556977 600726735 /nfs/dbraw/zinc/72/67/35/600726735.db2.gz LZCOECFLXSBDSA-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000382556977 600726737 /nfs/dbraw/zinc/72/67/37/600726737.db2.gz 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LCSPOQIWVPYNKZ-AWEZNQCLSA-N 0 1 390.509 2.584 20 0 GFADMN CN(C(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000296969116 601412762 /nfs/dbraw/zinc/41/27/62/601412762.db2.gz NFOAOQZOCLJIFV-VLIAUNLRSA-N 0 1 392.883 2.543 20 0 GFADMN CN(C(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000296969116 601412764 /nfs/dbraw/zinc/41/27/64/601412764.db2.gz NFOAOQZOCLJIFV-VLIAUNLRSA-N 0 1 392.883 2.543 20 0 GFADMN C[C@@H](CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000828259567 601488987 /nfs/dbraw/zinc/48/89/87/601488987.db2.gz YKVMBJGKXROAGD-NEPJUHHUSA-N 0 1 393.509 2.641 20 0 GFADMN COc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1-c1nn[nH]n1 ZINC000826193924 607510540 /nfs/dbraw/zinc/51/05/40/607510540.db2.gz UWMPHGDATGUUSH-LJQANCHMSA-N 0 1 381.480 2.894 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828432839 601515355 /nfs/dbraw/zinc/51/53/55/601515355.db2.gz OSEBFDZCHQEMNL-RXVVDRJESA-N 0 1 380.488 2.910 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000828441841 601522620 /nfs/dbraw/zinc/52/26/20/601522620.db2.gz UFUYDVXNROMTRM-DYVFJYSZSA-N 0 1 399.422 2.669 20 0 GFADMN CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1C ZINC000829873113 601546449 /nfs/dbraw/zinc/54/64/49/601546449.db2.gz MGZNNCWHGHDZRC-IBGZPJMESA-N 0 1 384.432 2.675 20 0 GFADMN CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1C ZINC000829873113 601546450 /nfs/dbraw/zinc/54/64/50/601546450.db2.gz MGZNNCWHGHDZRC-IBGZPJMESA-N 0 1 384.432 2.675 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000831917725 601552188 /nfs/dbraw/zinc/55/21/88/601552188.db2.gz JGOQBYJWRUVTKR-AVRDEDQJSA-N 0 1 385.460 2.797 20 0 GFADMN CC[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1 ZINC000829619125 601599368 /nfs/dbraw/zinc/59/93/68/601599368.db2.gz SJGKJJPSDDXWFY-HXUWFJFHSA-N 0 1 379.460 2.802 20 0 GFADMN C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000826044022 601607981 /nfs/dbraw/zinc/60/79/81/601607981.db2.gz BBKBNIUHHCDEGZ-DYESRHJHSA-N 0 1 395.503 2.626 20 0 GFADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccoc3C(=O)[O-])CC2)cs1 ZINC000831501367 601611072 /nfs/dbraw/zinc/61/10/72/601611072.db2.gz RGZGWHHRJUYTBG-CYBMUJFWSA-N 0 1 379.482 2.850 20 0 GFADMN O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833104828 601662667 /nfs/dbraw/zinc/66/26/67/601662667.db2.gz GNTSEXXFBKYOTG-TZMCWYRMSA-N 0 1 378.494 2.765 20 0 GFADMN O=C([O-])[C@]1(NC(=O)CCC(=O)c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833096471 601730061 /nfs/dbraw/zinc/73/00/61/601730061.db2.gz JWMGANJXRSXYQM-QHCPKHFHSA-N 0 1 394.471 2.885 20 0 GFADMN Cc1ncc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000833008221 601740837 /nfs/dbraw/zinc/74/08/37/601740837.db2.gz PHHVVUHMHAKMNY-IBDYFIJFSA-N 0 1 385.489 2.700 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc(OC)c1 ZINC000831996452 601779198 /nfs/dbraw/zinc/77/91/98/601779198.db2.gz WFPOPMFRCXKRMR-KRWDZBQOSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc(OC)c1 ZINC000831996452 601779199 /nfs/dbraw/zinc/77/91/99/601779199.db2.gz WFPOPMFRCXKRMR-KRWDZBQOSA-N 0 1 399.447 2.798 20 0 GFADMN O=C([O-])CCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000833224396 601788791 /nfs/dbraw/zinc/78/87/91/601788791.db2.gz DCXQRYHVNGKRCP-OAHLLOKOSA-N 0 1 398.381 2.914 20 0 GFADMN C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000826021262 601807403 /nfs/dbraw/zinc/80/74/03/601807403.db2.gz OLXXKNVFTCUGMV-CYBMUJFWSA-N 0 1 391.468 2.730 20 0 GFADMN O=C([O-])CCC1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000659397278 601826901 /nfs/dbraw/zinc/82/69/01/601826901.db2.gz YFEFMODBVVWOTK-HXUWFJFHSA-N 0 1 387.524 2.837 20 0 GFADMN CN(CC(=O)[O-])C(=O)CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000830692605 601839642 /nfs/dbraw/zinc/83/96/42/601839642.db2.gz OAOIVSYTBSXNHS-ZDUSSCGKSA-N 0 1 389.279 2.770 20 0 GFADMN COc1ccc(-c2noc(C[NH+]3CCC(CCC(=O)[O-])CC3)n2)c(OC)c1 ZINC000574406337 601841008 /nfs/dbraw/zinc/84/10/08/601841008.db2.gz MQAXLRPLOYEUPQ-UHFFFAOYSA-N 0 1 375.425 2.831 20 0 GFADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000832407926 601845798 /nfs/dbraw/zinc/84/57/98/601845798.db2.gz NAYLIOUAMUHJFY-ZDUSSCGKSA-N 0 1 391.468 2.557 20 0 GFADMN Cc1ccccc1[C@@H]1CC[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000832977103 601877166 /nfs/dbraw/zinc/87/71/66/601877166.db2.gz CYTRHCRMZGENPI-QGZVFWFLSA-N 0 1 393.443 2.909 20 0 GFADMN Cc1ccccc1[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000832977103 601877168 /nfs/dbraw/zinc/87/71/68/601877168.db2.gz CYTRHCRMZGENPI-QGZVFWFLSA-N 0 1 393.443 2.909 20 0 GFADMN C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000828177135 601879720 /nfs/dbraw/zinc/87/97/20/601879720.db2.gz OBDBLQGIBFTNKP-LPHOPBHVSA-N 0 1 397.475 2.612 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739061037 601895578 /nfs/dbraw/zinc/89/55/78/601895578.db2.gz WYAXKJVHPRSRIZ-VDGAXYAQSA-N 0 1 381.476 2.817 20 0 GFADMN CCOc1ccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)cc1F ZINC000825643084 607533973 /nfs/dbraw/zinc/53/39/73/607533973.db2.gz IDOGKZDDSVQEAC-UHFFFAOYSA-N 0 1 377.401 2.514 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738838313 601923148 /nfs/dbraw/zinc/92/31/48/601923148.db2.gz YMBKYZDQKMQGBL-KBPBESRZSA-N 0 1 379.423 2.783 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738838313 601923152 /nfs/dbraw/zinc/92/31/52/601923152.db2.gz YMBKYZDQKMQGBL-KBPBESRZSA-N 0 1 379.423 2.783 20 0 GFADMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000831744172 602001055 /nfs/dbraw/zinc/00/10/55/602001055.db2.gz HVAWHXCCMBCCDL-AWEZNQCLSA-N 0 1 389.374 2.636 20 0 GFADMN CC[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000739258622 602010980 /nfs/dbraw/zinc/01/09/80/602010980.db2.gz VTOHYFBSDPUZLE-QFBILLFUSA-N 0 1 388.512 2.513 20 0 GFADMN O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740637180 602151284 /nfs/dbraw/zinc/15/12/84/602151284.db2.gz TZCIRWHZPJGUOU-HOTGVXAUSA-N 0 1 394.541 2.649 20 0 GFADMN COc1cc(OC)cc([C@H](NCCC[N@@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000832057152 602167413 /nfs/dbraw/zinc/16/74/13/602167413.db2.gz NETJLVODDIUTOJ-NRFANRHFSA-N 0 1 384.476 2.868 20 0 GFADMN COc1cc(OC)cc([C@H](NCCC[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000832057152 602167414 /nfs/dbraw/zinc/16/74/14/602167414.db2.gz NETJLVODDIUTOJ-NRFANRHFSA-N 0 1 384.476 2.868 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739054149 602282125 /nfs/dbraw/zinc/28/21/25/602282125.db2.gz PIKFVNUMDDFGOV-GXTWGEPZSA-N 0 1 387.402 2.862 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1 ZINC000738835353 602286977 /nfs/dbraw/zinc/28/69/77/602286977.db2.gz PDYGDBBUBUDWCX-UHFFFAOYSA-N 0 1 392.500 2.917 20 0 GFADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)C(=O)[O-] ZINC000826787801 602349392 /nfs/dbraw/zinc/34/93/92/602349392.db2.gz URHQJJMZUVHGMR-ULQDDVLXSA-N 0 1 380.485 2.563 20 0 GFADMN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000739946071 602363485 /nfs/dbraw/zinc/36/34/85/602363485.db2.gz RBOMGAGYNVTWFO-MRXNPFEDSA-N 0 1 389.496 2.681 20 0 GFADMN O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000740357371 602378464 /nfs/dbraw/zinc/37/84/64/602378464.db2.gz SATGVIROBFCNBL-JKSUJKDBSA-N 0 1 389.452 2.741 20 0 GFADMN CN(C[C@@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739638974 602379822 /nfs/dbraw/zinc/37/98/22/602379822.db2.gz XOKCWSCWOJBGRC-LBPRGKRZSA-N 0 1 389.525 2.974 20 0 GFADMN CN(C[C@@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739638974 602379824 /nfs/dbraw/zinc/37/98/24/602379824.db2.gz XOKCWSCWOJBGRC-LBPRGKRZSA-N 0 1 389.525 2.974 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000740079889 602385979 /nfs/dbraw/zinc/38/59/79/602385979.db2.gz LTQKZSHPJGRSFH-UHFFFAOYSA-N 0 1 388.512 2.856 20 0 GFADMN CC[N@H+]1CCCC[C@H]1CNC(=O)C1(Nc2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739453727 602526452 /nfs/dbraw/zinc/52/64/52/602526452.db2.gz JJYVHGLSGZJALQ-SFHVURJKSA-N 0 1 388.512 2.602 20 0 GFADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000739115824 602561545 /nfs/dbraw/zinc/56/15/45/602561545.db2.gz UVPRHNYJNIHOJT-QWRGUYRKSA-N 0 1 377.514 2.529 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737748502 602569077 /nfs/dbraw/zinc/56/90/77/602569077.db2.gz HYZMGAZYADPTHR-KRWDZBQOSA-N 0 1 389.496 2.766 20 0 GFADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739087549 602613891 /nfs/dbraw/zinc/61/38/91/602613891.db2.gz BFTNGEDSXVXDIT-XWTMOSNGSA-N 0 1 380.533 2.813 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738985729 602626291 /nfs/dbraw/zinc/62/62/91/602626291.db2.gz ZLWDLGIPIRRVKT-BQFCYCMXSA-N 0 1 376.501 2.585 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738985736 602626765 /nfs/dbraw/zinc/62/67/65/602626765.db2.gz ZLWDLGIPIRRVKT-XYJFISCASA-N 0 1 376.501 2.585 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000739003427 602700668 /nfs/dbraw/zinc/70/06/68/602700668.db2.gz IRNRQVRBQBZSTM-QFBILLFUSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC[C@H]1NC(=O)[O-] ZINC000739181699 602775524 /nfs/dbraw/zinc/77/55/24/602775524.db2.gz KYOJKNLYBSFAAG-SMDDNHRTSA-N 0 1 384.274 2.756 20 0 GFADMN C[C@H]1C[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@H]1NC(=O)[O-] ZINC000739187822 602775751 /nfs/dbraw/zinc/77/57/51/602775751.db2.gz JDFMNZPAPGMWRB-CMPLNLGQSA-N 0 1 375.498 2.630 20 0 GFADMN C[C@H]1C[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@H]1NC(=O)[O-] ZINC000739187822 602775756 /nfs/dbraw/zinc/77/57/56/602775756.db2.gz JDFMNZPAPGMWRB-CMPLNLGQSA-N 0 1 375.498 2.630 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@H]1NC(=O)[O-] ZINC000739182272 602777229 /nfs/dbraw/zinc/77/72/29/602777229.db2.gz WLVZBESVWTYBBR-DZGCQCFKSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@H]1NC(=O)[O-] ZINC000739182272 602777232 /nfs/dbraw/zinc/77/72/32/602777232.db2.gz WLVZBESVWTYBBR-DZGCQCFKSA-N 0 1 389.452 2.645 20 0 GFADMN CC(C)(CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)NC(=O)[O-] ZINC000738744998 602823704 /nfs/dbraw/zinc/82/37/04/602823704.db2.gz WQYIVRXTQCUFTI-UHFFFAOYSA-N 0 1 383.439 2.872 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739082052 602912734 /nfs/dbraw/zinc/91/27/34/602912734.db2.gz KMCDWTCYKHJVJZ-APWZRJJASA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)C1 ZINC000739110169 603036320 /nfs/dbraw/zinc/03/63/20/603036320.db2.gz WILAJRHTECOLQI-CABCVRRESA-N 0 1 379.505 2.659 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)C1 ZINC000739112011 603078047 /nfs/dbraw/zinc/07/80/47/603078047.db2.gz QUGWPDYWYZOMQF-HNAYVOBHSA-N 0 1 388.512 2.764 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000740645329 603135683 /nfs/dbraw/zinc/13/56/83/603135683.db2.gz DWUHNTUVHCYCRY-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000740645329 603135686 /nfs/dbraw/zinc/13/56/86/603135686.db2.gz DWUHNTUVHCYCRY-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN Cc1ccc(N2CCC(C(=O)N[C@](C)(CNC(=O)[O-])CC(C)C)CC2)[nH+]c1 ZINC000740130021 603225017 /nfs/dbraw/zinc/22/50/17/603225017.db2.gz JNWWDCFSYXWMTC-FQEVSTJZSA-N 0 1 376.501 2.795 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563605 603236201 /nfs/dbraw/zinc/23/62/01/603236201.db2.gz KKXQIZJVOSTSBA-WMZOPIPTSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563605 603236204 /nfs/dbraw/zinc/23/62/04/603236204.db2.gz KKXQIZJVOSTSBA-WMZOPIPTSA-N 0 1 377.460 2.686 20 0 GFADMN C[N@@H+](CCNC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1)Cc1ccccc1 ZINC000739689354 603286813 /nfs/dbraw/zinc/28/68/13/603286813.db2.gz DLSFMLYJTNJCJO-KRWDZBQOSA-N 0 1 375.856 2.897 20 0 GFADMN O=C([O-])N1CC[C@H](C[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000740500809 603328291 /nfs/dbraw/zinc/32/82/91/603328291.db2.gz SDEMENTZYTVTDM-GFCCVEGCSA-N 0 1 386.279 2.751 20 0 GFADMN C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828161406 603494548 /nfs/dbraw/zinc/49/45/48/603494548.db2.gz FYNPWRTWZCLSFO-UXHICEINSA-N 0 1 384.476 2.838 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000832636288 603529587 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IHNSOIFDXAICDQ-AEFFLSMTSA-N 0 1 390.528 2.832 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000826069484 603674859 /nfs/dbraw/zinc/67/48/59/603674859.db2.gz UNQUPUBGKKAQAU-VQIMIIECSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000826070259 603675474 /nfs/dbraw/zinc/67/54/74/603675474.db2.gz ZTOAYLPCECQWBP-QFBILLFUSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000825951180 603765424 /nfs/dbraw/zinc/76/54/24/603765424.db2.gz SXNSLRDOJYZOSK-HOTGVXAUSA-N 0 1 375.469 2.736 20 0 GFADMN C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828162862 603782378 /nfs/dbraw/zinc/78/23/78/603782378.db2.gz RFKBFNBAUZLXMD-QQGUTBHFSA-N 0 1 376.497 2.952 20 0 GFADMN C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000825795371 603871863 /nfs/dbraw/zinc/87/18/63/603871863.db2.gz UTXPFMZETWJRLN-SBXRHNTMSA-N 0 1 386.496 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ZINC000833417218 604976317 /nfs/dbraw/zinc/97/63/17/604976317.db2.gz NDLLMEVIQKMYGF-LJQANCHMSA-N 0 1 387.524 2.967 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000833414856 605002025 /nfs/dbraw/zinc/00/20/25/605002025.db2.gz OTPYOWOGVPYNAT-MJGOQNOKSA-N 0 1 388.508 2.534 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000833625416 605009243 /nfs/dbraw/zinc/00/92/43/605009243.db2.gz WQHHBWMEHMYVHO-WFTWPBCJSA-N 0 1 397.878 2.834 20 0 GFADMN O=C([O-])c1ccc(OC[C@@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000833782483 605016091 /nfs/dbraw/zinc/01/60/91/605016091.db2.gz OFUWQXFZKDINGO-HNNXBMFYSA-N 0 1 384.457 2.834 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000833589175 605020024 /nfs/dbraw/zinc/02/00/24/605020024.db2.gz AFFRTSFQOSCZFG-BETUJISGSA-N 0 1 386.489 2.559 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000833549765 605020194 /nfs/dbraw/zinc/02/01/94/605020194.db2.gz SKWVFOFHIOGXLG-CRAIPNDOSA-N 0 1 388.489 2.640 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@H]3C(C)(C)O)c2C(=O)[O-])C1 ZINC000833617091 605049008 /nfs/dbraw/zinc/04/90/08/605049008.db2.gz OEVMZLYGUFMGAU-SMDDNHRTSA-N 0 1 380.510 2.745 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594652 605088075 /nfs/dbraw/zinc/08/80/75/605088075.db2.gz FJFXNVSILNURQV-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594652 605088081 /nfs/dbraw/zinc/08/80/81/605088081.db2.gz FJFXNVSILNURQV-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000833589821 605145831 /nfs/dbraw/zinc/14/58/31/605145831.db2.gz DLGADIPQAHGRKP-NZSAHSFTSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000833626107 605162473 /nfs/dbraw/zinc/16/24/73/605162473.db2.gz NGRDTMHHHKBKBB-AWEZNQCLSA-N 0 1 391.468 2.655 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833624762 605176335 /nfs/dbraw/zinc/17/63/35/605176335.db2.gz WBLATUVIBMIIAO-IRXDYDNUSA-N 0 1 382.460 2.885 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833629585 605191851 /nfs/dbraw/zinc/19/18/51/605191851.db2.gz XSBDDYOKPAOFLK-ZDUSSCGKSA-N 0 1 387.402 2.515 20 0 GFADMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833629585 605191853 /nfs/dbraw/zinc/19/18/53/605191853.db2.gz XSBDDYOKPAOFLK-ZDUSSCGKSA-N 0 1 387.402 2.515 20 0 GFADMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833629585 605191855 /nfs/dbraw/zinc/19/18/55/605191855.db2.gz XSBDDYOKPAOFLK-ZDUSSCGKSA-N 0 1 387.402 2.515 20 0 GFADMN COC(=O)c1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(C(=O)[O-])c1 ZINC000833712500 605200867 /nfs/dbraw/zinc/20/08/67/605200867.db2.gz HMZXYEYSAGKOAR-UHFFFAOYSA-N 0 1 385.416 2.747 20 0 GFADMN COC(=O)c1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(C(=O)[O-])c1 ZINC000833712500 605200873 /nfs/dbraw/zinc/20/08/73/605200873.db2.gz HMZXYEYSAGKOAR-UHFFFAOYSA-N 0 1 385.416 2.747 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1 ZINC000833751621 605209896 /nfs/dbraw/zinc/20/98/96/605209896.db2.gz OGUBFFLYEYBITB-RDJZCZTQSA-N 0 1 388.489 2.635 20 0 GFADMN CC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000833401157 605216605 /nfs/dbraw/zinc/21/66/05/605216605.db2.gz RVNSBSBJPYKMFT-QFIPXVFZSA-N 0 1 398.434 2.878 20 0 GFADMN CC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000833401157 605216612 /nfs/dbraw/zinc/21/66/12/605216612.db2.gz RVNSBSBJPYKMFT-QFIPXVFZSA-N 0 1 398.434 2.878 20 0 GFADMN CC(C)C[C@H](C)N(C)C(=O)CN[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833474800 605220070 /nfs/dbraw/zinc/22/00/70/605220070.db2.gz XYWFZDDNQKPQQT-AVRDEDQJSA-N 0 1 389.540 2.588 20 0 GFADMN CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833474800 605220076 /nfs/dbraw/zinc/22/00/76/605220076.db2.gz XYWFZDDNQKPQQT-AVRDEDQJSA-N 0 1 389.540 2.588 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621492 605277442 /nfs/dbraw/zinc/27/74/42/605277442.db2.gz JXPOETAKXWWGCN-QGZVFWFLSA-N 0 1 382.460 2.887 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC000834187439 605329701 /nfs/dbraw/zinc/32/97/01/605329701.db2.gz ZLHZHAFGOBYHET-DZUCGIPZSA-N 0 1 377.872 2.939 20 0 GFADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000826471469 607749919 /nfs/dbraw/zinc/74/99/19/607749919.db2.gz AMVSMLPKKQXGKM-AWEZNQCLSA-N 0 1 382.815 2.702 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)O1 ZINC000833582780 605382995 /nfs/dbraw/zinc/38/29/95/605382995.db2.gz FHZRSQFCTKGUIN-OAHLLOKOSA-N 0 1 380.485 2.857 20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000833683440 605423789 /nfs/dbraw/zinc/42/37/89/605423789.db2.gz QFLIHBUUXKLHHG-GFCCVEGCSA-N 0 1 398.506 2.717 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Br)c3)C[C@H]21 ZINC000834185929 605436475 /nfs/dbraw/zinc/43/64/75/605436475.db2.gz IOKYMMGYYXHBKJ-MIGQKNRLSA-N 0 1 383.286 2.851 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@@H]21 ZINC000834187589 605458482 /nfs/dbraw/zinc/45/84/82/605458482.db2.gz KTUDBPGWPVAPAP-FRRDWIJNSA-N 0 1 383.395 2.595 20 0 GFADMN CCC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)[O-])CC1 ZINC000826911961 605472129 /nfs/dbraw/zinc/47/21/29/605472129.db2.gz KDDAXXVGULPVPB-UHFFFAOYSA-N 0 1 387.480 2.917 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000833468278 605473876 /nfs/dbraw/zinc/47/38/76/605473876.db2.gz ODPODZUWCAHOPB-IXDOHACOSA-N 0 1 383.439 2.897 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000833468278 605473884 /nfs/dbraw/zinc/47/38/84/605473884.db2.gz ODPODZUWCAHOPB-IXDOHACOSA-N 0 1 383.439 2.897 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1F ZINC000830817912 605518725 /nfs/dbraw/zinc/51/87/25/605518725.db2.gz DZNZYWFKOVFDIB-DOMZBBRYSA-N 0 1 389.431 2.650 20 0 GFADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833614636 605627282 /nfs/dbraw/zinc/62/72/82/605627282.db2.gz QTCVJJJOVBYVSL-CQSZACIVSA-N 0 1 388.512 2.967 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833614635 605627338 /nfs/dbraw/zinc/62/73/38/605627338.db2.gz QTCVJJJOVBYVSL-AWEZNQCLSA-N 0 1 388.512 2.967 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000834038414 605851193 /nfs/dbraw/zinc/85/11/93/605851193.db2.gz IKUOGDQFBWXJGL-UHFFFAOYSA-N 0 1 387.402 2.597 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830886 605898913 /nfs/dbraw/zinc/89/89/13/605898913.db2.gz LFOBGTHNFSNYQH-GMTAPVOTSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830886 605898916 /nfs/dbraw/zinc/89/89/16/605898916.db2.gz LFOBGTHNFSNYQH-GMTAPVOTSA-N 0 1 380.445 2.740 20 0 GFADMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833487661 605941733 /nfs/dbraw/zinc/94/17/33/605941733.db2.gz GDWWNEZDHUFXEX-MRXNPFEDSA-N 0 1 389.496 2.683 20 0 GFADMN O=C([O-])N1CCC([C@H](NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccc(F)cc2)CC1 ZINC000834072788 605982655 /nfs/dbraw/zinc/98/26/55/605982655.db2.gz DGPFBFLGDNBQKB-SLFFLAALSA-N 0 1 391.487 2.710 20 0 GFADMN O=C([O-])N1CCC([C@H](NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccc(F)cc2)CC1 ZINC000834072788 605982656 /nfs/dbraw/zinc/98/26/56/605982656.db2.gz DGPFBFLGDNBQKB-SLFFLAALSA-N 0 1 391.487 2.710 20 0 GFADMN O=C([O-])N1CCC(CCC(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000834077892 606020405 /nfs/dbraw/zinc/02/04/05/606020405.db2.gz ZNPLLCCCXUVPOG-UHFFFAOYSA-N 0 1 379.526 2.605 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccc1Cl ZINC000821181397 606246524 /nfs/dbraw/zinc/24/65/24/606246524.db2.gz MQEHFGNEPBOASS-INIZCTEOSA-N 0 1 387.875 2.661 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000820427585 606307600 /nfs/dbraw/zinc/30/76/00/606307600.db2.gz UAYMLAARIGNILY-GFCCVEGCSA-N 0 1 391.884 2.645 20 0 GFADMN Clc1ccc(-c2noc(CC[NH2+]Cc3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822574823 606418743 /nfs/dbraw/zinc/41/87/43/606418743.db2.gz ZXLWSKIZVXENSV-UHFFFAOYSA-N 0 1 387.856 2.964 20 0 GFADMN Clc1ccc(-c2noc(CC[NH2+]Cc3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822574823 606418745 /nfs/dbraw/zinc/41/87/45/606418745.db2.gz ZXLWSKIZVXENSV-UHFFFAOYSA-N 0 1 387.856 2.964 20 0 GFADMN Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000822792533 606419047 /nfs/dbraw/zinc/41/90/47/606419047.db2.gz ZXKZUPMTDDMOLW-GFCCVEGCSA-N 0 1 390.463 2.961 20 0 GFADMN Fc1cccc(F)c1CN1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000822792533 606419049 /nfs/dbraw/zinc/41/90/49/606419049.db2.gz ZXKZUPMTDDMOLW-GFCCVEGCSA-N 0 1 390.463 2.961 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000822731269 606484730 /nfs/dbraw/zinc/48/47/30/606484730.db2.gz BFKYFIKGQIVKPZ-LBPRGKRZSA-N 0 1 375.383 2.571 20 0 GFADMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820722813 606545960 /nfs/dbraw/zinc/54/59/60/606545960.db2.gz PEKUZEOQZJVOAU-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN C[C@@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418567 606624036 /nfs/dbraw/zinc/62/40/36/606624036.db2.gz BJEWTHXXUMJIRH-SJKOYZFVSA-N 0 1 382.855 2.976 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000822153022 606788188 /nfs/dbraw/zinc/78/81/88/606788188.db2.gz KKEKZRDTCCLTFB-UHFFFAOYSA-N 0 1 395.391 2.620 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC2(CC(C)C)CCC2)cc1-c1nn[nH]n1 ZINC000821977686 606855860 /nfs/dbraw/zinc/85/58/60/606855860.db2.gz JBVOZDPKHWULBC-UHFFFAOYSA-N 0 1 376.486 2.635 20 0 GFADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000820548843 606896791 /nfs/dbraw/zinc/89/67/91/606896791.db2.gz GRIBXFAEBZSRDK-MRXNPFEDSA-N 0 1 395.463 2.699 20 0 GFADMN Cc1ccccc1[C@@H]1CN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CO1 ZINC000822351752 606903619 /nfs/dbraw/zinc/90/36/19/606903619.db2.gz PWMNTOFYQLSXGY-BEVDRBHNSA-N 0 1 379.464 2.671 20 0 GFADMN NC(=O)[C@@H](NCCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850834 606987787 /nfs/dbraw/zinc/98/77/87/606987787.db2.gz RNFDDDKWHUGAKG-NRFANRHFSA-N 0 1 398.470 2.892 20 0 GFADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C)sc1C ZINC000821310158 607032505 /nfs/dbraw/zinc/03/25/05/607032505.db2.gz XMJYGQGTFNLLKU-UHFFFAOYSA-N 0 1 378.483 2.778 20 0 GFADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000822435875 607156288 /nfs/dbraw/zinc/15/62/88/607156288.db2.gz DJZDLYPJEQEGHY-UHFFFAOYSA-N 0 1 378.483 2.631 20 0 GFADMN CCCCC[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821048408 607165125 /nfs/dbraw/zinc/16/51/25/607165125.db2.gz CIXZEFYSRNYASE-NSHDSACASA-N 0 1 376.486 2.874 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000822200070 607167444 /nfs/dbraw/zinc/16/74/44/607167444.db2.gz SPKAARUMCKMNLE-CYBMUJFWSA-N 0 1 387.447 2.926 20 0 GFADMN C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413725 607208660 /nfs/dbraw/zinc/20/86/60/607208660.db2.gz UVOHUDKAJCKZEW-KXBFYZLASA-N 0 1 376.464 2.881 20 0 GFADMN c1ccc2c(c1)CC[C@@]21CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826523112 607802947 /nfs/dbraw/zinc/80/29/47/607802947.db2.gz BAISCFNGBCWCDX-JOCHJYFZSA-N 0 1 391.475 2.810 20 0 GFADMN CCCCC[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825268634 607829841 /nfs/dbraw/zinc/82/98/41/607829841.db2.gz WVSQNHRTZJXEHO-MRXNPFEDSA-N 0 1 377.514 2.685 20 0 GFADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826398652 607946569 /nfs/dbraw/zinc/94/65/69/607946569.db2.gz BDYRRSFCQYXCSB-IBGZPJMESA-N 0 1 388.475 2.811 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826469323 607947445 /nfs/dbraw/zinc/94/74/45/607947445.db2.gz CAXHDSXXPHCZFA-UHFFFAOYSA-N 0 1 375.367 2.599 20 0 GFADMN O=C(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826473968 607964504 /nfs/dbraw/zinc/96/45/04/607964504.db2.gz VOLOLSLYDHNAGT-INIZCTEOSA-N 0 1 386.419 2.629 20 0 GFADMN CCCC(=CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)CCC ZINC000825218862 608148194 /nfs/dbraw/zinc/14/81/94/608148194.db2.gz FZIJPYWJNWKUDF-UHFFFAOYSA-N 0 1 399.499 2.907 20 0 GFADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000825435320 608153083 /nfs/dbraw/zinc/15/30/83/608153083.db2.gz UCEFVMCELHHHMQ-CQSZACIVSA-N 0 1 380.452 2.724 20 0 GFADMN CCN(CCc1ccccc1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825424425 608153245 /nfs/dbraw/zinc/15/32/45/608153245.db2.gz GSJRZZUIZHZHRZ-MRXNPFEDSA-N 0 1 382.493 2.598 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000124349816 608231421 /nfs/dbraw/zinc/23/14/21/608231421.db2.gz SWEGUJYHXGSXHC-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000824976051 608266469 /nfs/dbraw/zinc/26/64/69/608266469.db2.gz MFMAVQVQFQROOC-HOTGVXAUSA-N 0 1 391.479 2.993 20 0 GFADMN Cc1ccnc(NC[C@@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)c1 ZINC000826313965 608280758 /nfs/dbraw/zinc/28/07/58/608280758.db2.gz ZUNBWGKCOPVZHU-HNNXBMFYSA-N 0 1 390.495 2.782 20 0 GFADMN CCOC[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825589685 608311503 /nfs/dbraw/zinc/31/15/03/608311503.db2.gz ITAGYXPMGXEBRF-MRXNPFEDSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825589685 608311505 /nfs/dbraw/zinc/31/15/05/608311505.db2.gz ITAGYXPMGXEBRF-MRXNPFEDSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589685 608311506 /nfs/dbraw/zinc/31/15/06/608311506.db2.gz ITAGYXPMGXEBRF-MRXNPFEDSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589685 608311508 /nfs/dbraw/zinc/31/15/08/608311508.db2.gz ITAGYXPMGXEBRF-MRXNPFEDSA-N 0 1 381.484 2.609 20 0 GFADMN COc1ccc(OC2CCN(Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)cc1 ZINC000826210684 608355901 /nfs/dbraw/zinc/35/59/01/608355901.db2.gz AFNNTEXTDAKDCP-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824334220 608452972 /nfs/dbraw/zinc/45/29/72/608452972.db2.gz SADNGZYWYNRNMQ-CQSZACIVSA-N 0 1 380.452 2.943 20 0 GFADMN CC(C)Oc1cccc([C@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333825 608454127 /nfs/dbraw/zinc/45/41/27/608454127.db2.gz NLWSJZCGQZURJI-HNNXBMFYSA-N 0 1 394.479 2.621 20 0 GFADMN Cc1cc(C)cc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826264624 608509554 /nfs/dbraw/zinc/50/95/54/608509554.db2.gz URZNTCVFCWLGKY-OAHLLOKOSA-N 0 1 385.493 2.608 20 0 GFADMN C[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572410 608534776 /nfs/dbraw/zinc/53/47/76/608534776.db2.gz URHJEKPELNAPIG-RISCZKNCSA-N 0 1 391.834 2.750 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000826280521 608543022 /nfs/dbraw/zinc/54/30/22/608543022.db2.gz FIEBSOCEYKIVAE-HZPDHXFCSA-N 0 1 393.495 2.791 20 0 GFADMN COC(=O)C(C)(C)[C@@H](NCc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000826098778 608555140 /nfs/dbraw/zinc/55/51/40/608555140.db2.gz OENJNNHJEOTHKO-SFHVURJKSA-N 0 1 395.463 2.905 20 0 GFADMN C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547405 609142202 /nfs/dbraw/zinc/14/22/02/609142202.db2.gz NXMMDJYDVQFVRA-SCLBCKFNSA-N 0 1 380.427 2.852 20 0 GFADMN C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627321 609142881 /nfs/dbraw/zinc/14/28/81/609142881.db2.gz WYFIJAZEFMKCGK-ZDUSSCGKSA-N 0 1 398.442 2.809 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548754 609154304 /nfs/dbraw/zinc/15/43/04/609154304.db2.gz ZHGCFZKFNFEBIB-SJKOYZFVSA-N 0 1 398.417 2.991 20 0 GFADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825060945 609299449 /nfs/dbraw/zinc/29/94/49/609299449.db2.gz VHLBYLJXDDZJSG-ZJUUUORDSA-N 0 1 376.486 2.728 20 0 GFADMN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@H]1F ZINC000824954442 609373904 /nfs/dbraw/zinc/37/39/04/609373904.db2.gz JZJDBAKLMYCGHX-WCQYABFASA-N 0 1 392.504 2.816 20 0 GFADMN Cc1cc(CNC(=O)c2ccccc2Oc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000826267322 609383986 /nfs/dbraw/zinc/38/39/86/609383986.db2.gz ZWESKFWGJIZETA-UHFFFAOYSA-N 0 1 375.392 2.621 20 0 GFADMN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824319293 609424483 /nfs/dbraw/zinc/42/44/83/609424483.db2.gz LCSPUZHJPBUBCG-UHFFFAOYSA-N 0 1 377.401 2.594 20 0 GFADMN CCOc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000825643570 609523792 /nfs/dbraw/zinc/52/37/92/609523792.db2.gz QTDTZBMFRRXLKM-UHFFFAOYSA-N 0 1 379.829 2.720 20 0 GFADMN CC(=O)N[C@@H]1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281228 660188966 /nfs/dbraw/zinc/18/89/66/660188966.db2.gz RZVQYEGIEIPQRP-IUODEOHRSA-N 0 1 375.694 2.520 20 0 GFADMN CNC(=O)[C@@H]1CCN(Cn2ccc(-c3ccc(Br)cc3Cl)n2)C1 ZINC000817370586 660192081 /nfs/dbraw/zinc/19/20/81/660192081.db2.gz MCTHYOYKEWHLEL-LLVKDONJSA-N 0 1 397.704 2.991 20 0 GFADMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CSc1n[nH]c(=S)s1 ZINC000817625907 660203244 /nfs/dbraw/zinc/20/32/44/660203244.db2.gz SRPNAVFMTLYORR-NXEZZACHSA-N 0 1 389.568 2.888 20 0 GFADMN CN(C[C@H](O)CNCc1cc(Br)ccc1F)C(=O)OC(C)(C)C ZINC000818164770 660218138 /nfs/dbraw/zinc/21/81/38/660218138.db2.gz BAQGCQIUEYLNDR-CYBMUJFWSA-N 0 1 391.281 2.906 20 0 GFADMN CC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000818475602 660226887 /nfs/dbraw/zinc/22/68/87/660226887.db2.gz RYTIHDMUQWGVTQ-UHFFFAOYSA-N 0 1 380.901 2.678 20 0 GFADMN COc1ccccc1[C@H](N)CNC(=O)c1sc(N2CCCC2)nc1Cl ZINC000818558925 660228398 /nfs/dbraw/zinc/22/83/98/660228398.db2.gz USGJKMUAKQLCHL-GFCCVEGCSA-N 0 1 380.901 2.835 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H](O)c2ccccc2C)s1 ZINC000818945788 660236266 /nfs/dbraw/zinc/23/62/66/660236266.db2.gz OJQYGCYCHMKQNT-QGZVFWFLSA-N 0 1 382.551 2.910 20 0 GFADMN C[C@@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000819277992 660253333 /nfs/dbraw/zinc/25/33/33/660253333.db2.gz JTPRZWWIIQCMQT-YPMHNXCESA-N 0 1 388.306 2.723 20 0 GFADMN CC(C)(C)OC(=O)NC[C@](C)(O)CNCc1ccsc1Br ZINC000819294612 660253970 /nfs/dbraw/zinc/25/39/70/660253970.db2.gz ZZXRJSRBUXUAKG-CQSZACIVSA-N 0 1 379.320 2.876 20 0 GFADMN CS(=O)(=O)c1ccccc1CNC[C@H](O)c1cccc(Br)c1 ZINC000819368677 660257124 /nfs/dbraw/zinc/25/71/24/660257124.db2.gz PWVUKEDUDUHCJX-HNNXBMFYSA-N 0 1 384.295 2.676 20 0 GFADMN C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)[C@@H]1C(=O)OC(C)(C)C ZINC000819681762 660266861 /nfs/dbraw/zinc/26/68/61/660266861.db2.gz OZRVUFWBBSZBHI-KOLCDFICSA-N 0 1 389.568 2.888 20 0 GFADMN CCN1CC[C@H]2OCCN(C(=O)c3ncc(C(F)(F)F)cc3Cl)[C@H]2C1 ZINC000820592383 660298537 /nfs/dbraw/zinc/29/85/37/660298537.db2.gz CSJGUHFVNUWJBL-QWHCGFSZSA-N 0 1 377.794 2.689 20 0 GFADMN O=C(N[C@@H]1CCCC(F)(F)C1)c1cnc(I)c(O)c1 ZINC000821048783 660314221 /nfs/dbraw/zinc/31/42/21/660314221.db2.gz DCVXSVBFKSIAFL-MRVPVSSYSA-N 0 1 382.148 2.700 20 0 GFADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N=S(C)(C)=O)cc2)c1 ZINC000821111061 660316054 /nfs/dbraw/zinc/31/60/54/660316054.db2.gz DXBOWLYZPIQZLI-UHFFFAOYSA-N 0 1 384.479 2.864 20 0 GFADMN COc1ccccc1CN(CCn1cnc(Br)n1)C[C@H]1CCCO1 ZINC000821353731 660322766 /nfs/dbraw/zinc/32/27/66/660322766.db2.gz AGHMPTBTRJTXRV-OAHLLOKOSA-N 0 1 395.301 2.730 20 0 GFADMN CO[C@@H](C)c1noc(CN2CCCN(CC[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667994 660351394 /nfs/dbraw/zinc/35/13/94/660351394.db2.gz DSFZBXNVKPCATD-QWHCGFSZSA-N 0 1 377.316 2.869 20 0 GFADMN CCc1nnc(NC(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)s1 ZINC000822686408 660351787 /nfs/dbraw/zinc/35/17/87/660351787.db2.gz OUFXQJIYWJQWPL-UHFFFAOYSA-N 0 1 387.433 2.815 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1CCCC[C@H]1C(F)F ZINC000822707981 660352238 /nfs/dbraw/zinc/35/22/38/660352238.db2.gz CUTFSMPIYHFQGW-QMMMGPOBSA-N 0 1 382.148 2.652 20 0 GFADMN COCC(C)(C)N1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000823457025 660372840 /nfs/dbraw/zinc/37/28/40/660372840.db2.gz WAAMIECWIVXWTD-MRXNPFEDSA-N 0 1 389.309 2.664 20 0 GFADMN Cc1cc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)oc1Br ZINC000823398757 660370944 /nfs/dbraw/zinc/37/09/44/660370944.db2.gz LNIKXKZNIJSDMQ-UHFFFAOYSA-N 0 1 380.242 2.778 20 0 GFADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000823635236 660377178 /nfs/dbraw/zinc/37/71/78/660377178.db2.gz VGPAIIUSPINSFD-LBPRGKRZSA-N 0 1 377.242 2.565 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cnc(CCC(F)(F)F)s1 ZINC000824258305 660388266 /nfs/dbraw/zinc/38/82/66/660388266.db2.gz HHMDEHXEHCXJGQ-MRVPVSSYSA-N 0 1 375.376 2.538 20 0 GFADMN Cn1nc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Br 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O=C(OCc1ccccc1)N1CC[C@H](NCc2cnc(Br)cn2)C1 ZINC000895407649 663512182 /nfs/dbraw/zinc/51/21/82/663512182.db2.gz WGCUBDVGOVRQNU-AWEZNQCLSA-N 0 1 391.269 2.740 20 0 GFADMN O=C(c1c[nH]cc2ncnc1-2)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000895773437 663527197 /nfs/dbraw/zinc/52/71/97/663527197.db2.gz BRIJXCPYPPRRTC-UHFFFAOYSA-N 0 1 377.235 2.622 20 0 GFADMN Cc1n[nH]c(I)c1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000895888766 663532345 /nfs/dbraw/zinc/53/23/45/663532345.db2.gz WSWHBWTVIGYJKM-UHFFFAOYSA-N 0 1 385.209 2.663 20 0 GFADMN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)C1CN([C@@H]2CCOC2)C1 ZINC000896021458 663537990 /nfs/dbraw/zinc/53/79/90/663537990.db2.gz ALJHFGSHEVGXJH-OAHLLOKOSA-N 0 1 381.929 2.552 20 0 GFADMN CC(=O)Nc1cc(Br)ccc1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000896036458 663538366 /nfs/dbraw/zinc/53/83/66/663538366.db2.gz RFVMKORYKRHYGC-OAHLLOKOSA-N 0 1 380.286 2.508 20 0 GFADMN Brc1cc(CN2CC[C@H](C3OCCO3)C2)cc2c1OCCCO2 ZINC000896384511 663554752 /nfs/dbraw/zinc/55/47/52/663554752.db2.gz MBLDRMRFYMFJAW-ZDUSSCGKSA-N 0 1 384.270 2.805 20 0 GFADMN Brc1c(CN[C@@H]2CCCN3CCSC[C@@H]23)nc2ccccn21 ZINC000896432918 663557268 /nfs/dbraw/zinc/55/72/68/663557268.db2.gz SSMMMGRPCUPXSA-OCCSQVGLSA-N 0 1 381.343 2.766 20 0 GFADMN C[C@@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)[C@@H]1CN(C)CCN1C ZINC000896534924 663562209 /nfs/dbraw/zinc/56/22/09/663562209.db2.gz XDFHNZPUESAWTL-DOMZBBRYSA-N 0 1 378.929 2.828 20 0 GFADMN Cc1cc(Br)c(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1Cl ZINC000896540606 663562707 /nfs/dbraw/zinc/56/27/07/663562707.db2.gz GBXGHFJNUUDSEJ-IAQYHMDHSA-N 0 1 388.737 2.775 20 0 GFADMN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896551531 663563470 /nfs/dbraw/zinc/56/34/70/663563470.db2.gz DUAXXMGMQCVKMD-KCQAQPDRSA-N 0 1 378.567 2.527 20 0 GFADMN C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@H]1CN(C)CCN1C ZINC000896565997 663564413 /nfs/dbraw/zinc/56/44/13/663564413.db2.gz AWADBELKQLRPPV-WCQYABFASA-N 0 1 398.985 2.818 20 0 GFADMN C[C@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@@H]1CN(C)CCN1C ZINC000896570107 663565004 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XNQAAEGTTWYGSW-JWTRZGPZSA-N 0 1 381.929 2.548 20 0 GFADMN Cn1ncc(Br)c1CN[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000382450060 677406794 /nfs/dbraw/zinc/40/67/94/677406794.db2.gz DIZRALANSDZMHG-RYUDHWBXSA-N 0 1 387.322 2.966 20 0 GFADMN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCc1c(Br)cnn1C ZINC000389777851 677408478 /nfs/dbraw/zinc/40/84/78/677408478.db2.gz BTJKFBHMOPCMOI-AAEUAGOBSA-N 0 1 387.322 2.918 20 0 GFADMN CCS(=O)(=O)CCNCc1cc(Br)cc(Br)c1 ZINC000394520773 677411227 /nfs/dbraw/zinc/41/12/27/677411227.db2.gz HUGHMHLTUNXCAZ-UHFFFAOYSA-N 0 1 385.121 2.736 20 0 GFADMN COc1cccc(-c2nc3ccccc3c(N3C[C@H]4OCCN(C)[C@H]4C3)n2)c1 ZINC001164666286 719460197 /nfs/dbraw/zinc/46/01/97/719460197.db2.gz CTGSJTAFDQXWMR-VQTJNVASSA-N 0 1 376.460 2.825 20 0 GFADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164687637 719725882 /nfs/dbraw/zinc/72/58/82/719725882.db2.gz ZZUBBQHEQPIIFX-UHFFFAOYSA-N 0 1 386.874 2.769 20 0 GFADMN CCOC(=O)c1cc(Cl)nnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721154 720355698 /nfs/dbraw/zinc/35/56/98/720355698.db2.gz ATYLGXAMNXHTRK-HZPDHXFCSA-N 0 1 387.871 2.555 20 0 GFADMN c1nc2n(c1CN1CCCC1)CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164736573 720589003 /nfs/dbraw/zinc/58/90/03/720589003.db2.gz NQTCRUJDRFCIAT-UHFFFAOYSA-N 0 1 395.555 2.712 20 0 GFADMN COc1cc(C)c2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1 ZINC001164739786 720599400 /nfs/dbraw/zinc/59/94/00/720599400.db2.gz HGORUIMVSDOLMT-UHFFFAOYSA-N 0 1 392.507 2.802 20 0 GFADMN CCOC(=O)Cc1ccnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863759 721019907 /nfs/dbraw/zinc/01/99/07/721019907.db2.gz UYTLLZUZTXPCEZ-INIZCTEOSA-N 0 1 385.512 2.805 20 0 GFADMN CCOc1ccc(Cl)nc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773691 721151586 /nfs/dbraw/zinc/15/15/86/721151586.db2.gz YQOFUMHJNJOGFJ-CVEARBPZSA-N 0 1 375.904 2.826 20 0 GFADMN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884404 721387669 /nfs/dbraw/zinc/38/76/69/721387669.db2.gz ARCMTJIYCYBPEG-FXAWDEMLSA-N 0 1 378.948 2.809 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886831 721394698 /nfs/dbraw/zinc/39/46/98/721394698.db2.gz GQHTVXGNIYVGSF-KXBFYZLASA-N 0 1 382.911 2.640 20 0 GFADMN Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1Cl ZINC001164883515 721403357 /nfs/dbraw/zinc/40/33/57/721403357.db2.gz ALOPDCIKGKABTA-FXAWDEMLSA-N 0 1 378.948 2.809 20 0 GFADMN CCCCc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164894961 721444234 /nfs/dbraw/zinc/44/42/34/721444234.db2.gz NVLCPBRKFHHPDD-IRLDBZIGSA-N 0 1 387.572 2.585 20 0 GFADMN COc1ccnc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164895438 721444379 /nfs/dbraw/zinc/44/43/79/721444379.db2.gz PBDOGUWCEBIFOM-OXQOHEQNSA-N 0 1 394.947 2.509 20 0 GFADMN CN1CCN(c2cccc(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)n2)CC1 ZINC001164794600 721506453 /nfs/dbraw/zinc/50/64/53/721506453.db2.gz ATLDECQLKWLFBH-AUSIDOKSSA-N 0 1 393.535 2.914 20 0 GFADMN Cc1cc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2[nH]1 ZINC001164809881 721562461 /nfs/dbraw/zinc/56/24/61/721562461.db2.gz XTHIFNATEFIDEE-BJLQDIEVSA-N 0 1 378.480 2.530 20 0 GFADMN Cc1sc2ncnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2c1C ZINC001165008456 721732172 /nfs/dbraw/zinc/73/21/72/721732172.db2.gz OSGPSSDCTYWHKF-UHFFFAOYSA-N 0 1 387.553 2.831 20 0 GFADMN COc1cccc2ccc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nc21 ZINC001165011107 721733540 /nfs/dbraw/zinc/73/35/40/721733540.db2.gz LOXOWYGAUCTONM-UHFFFAOYSA-N 0 1 382.508 2.766 20 0 GFADMN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2ccc(CN3CCOCC3)cn2)c1 ZINC001164940266 721911535 /nfs/dbraw/zinc/91/15/35/721911535.db2.gz ZXRYNPLODKNSGL-KDURUIRLSA-N 0 1 384.549 2.829 20 0 GFADMN COc1cc(OC)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164938910 721924028 /nfs/dbraw/zinc/92/40/28/721924028.db2.gz AUDLDINUZMMQFE-UHFFFAOYSA-N 0 1 398.507 2.674 20 0 GFADMN COc1cc2c(cc1F)ncnc2N1CCN(CCOc2ccccc2)CC1 ZINC000302172551 721957742 /nfs/dbraw/zinc/95/77/42/721957742.db2.gz MWYZKAGBRSAKFK-UHFFFAOYSA-N 0 1 382.439 2.979 20 0 GFADMN CC(C)Oc1cncc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164959974 722059763 /nfs/dbraw/zinc/05/97/63/722059763.db2.gz BEBWIZARRZRZIB-UHFFFAOYSA-N 0 1 397.523 2.778 20 0 GFADMN O=C1COc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2N1 ZINC001164995701 722201820 /nfs/dbraw/zinc/20/18/20/722201820.db2.gz POUOUBPDGUIUEV-NRFANRHFSA-N 0 1 382.439 2.797 20 0 GFADMN CC(C)(C)n1nnc(C(=O)Nc2nnc(SCc3cccs3)s2)n1 ZINC000621706024 532365626 /nfs/dbraw/zinc/36/56/26/532365626.db2.gz FMPUMMOJFYZJPQ-UHFFFAOYSA-N 0 1 381.512 2.886 20 0 GFADMN COc1ccc(Br)cc1CN(C)c1cc(-n2cccn2)nc(N)n1 ZINC000540076880 532734226 /nfs/dbraw/zinc/73/42/26/532734226.db2.gz GRHXNSFUXZGBHK-UHFFFAOYSA-N 0 1 389.257 2.652 20 0 GFADMN CN(C)[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)c1cccc(F)c1 ZINC000057179257 205155664 /nfs/dbraw/zinc/15/56/64/205155664.db2.gz AHYXZBXYECNNQP-GOSISDBHSA-N 0 1 378.492 2.567 20 0 GFADMN O=S(=O)(N[C@@H]1CC12CCOCC2)c1cc(F)c(Br)cc1F ZINC000333095668 563620146 /nfs/dbraw/zinc/62/01/46/563620146.db2.gz PDPUPYVRUDMYIJ-GFCCVEGCSA-N 0 1 382.226 2.575 20 0 GFADMN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000436937849 563685939 /nfs/dbraw/zinc/68/59/39/563685939.db2.gz JQVVBXBTNHVAAO-NWDGAFQWSA-N 0 1 388.249 2.599 20 0 GFADMN Cn1cnc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)c1Cl ZINC000026541201 551121632 /nfs/dbraw/zinc/12/16/32/551121632.db2.gz WXRAHMQFNYSUHJ-UHFFFAOYSA-N 0 1 378.237 2.689 20 0 GFADMN CN(C)C(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000026549150 551121866 /nfs/dbraw/zinc/12/18/66/551121866.db2.gz CMFOYXCGGYRJBS-UHFFFAOYSA-N 0 1 386.832 2.747 20 0 GFADMN O=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(Br)cc1 ZINC000026542026 551121871 /nfs/dbraw/zinc/12/18/71/551121871.db2.gz DSBPQAJZAUECLF-UHFFFAOYSA-N 0 1 379.239 2.831 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CCC[C@@H](C)C1 ZINC000045745011 551148083 /nfs/dbraw/zinc/14/80/83/551148083.db2.gz APNWDOYRGWXXGS-OLZOCXBDSA-N 0 1 375.332 2.848 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc(Br)s2)C1 ZINC000048093537 551155940 /nfs/dbraw/zinc/15/59/40/551155940.db2.gz QUUTYLJWIYFCFT-GFCCVEGCSA-N 0 1 390.347 2.667 20 0 GFADMN O=S(=O)(NC1CCN(CCOc2cccc(F)c2)CC1)c1cccs1 ZINC000048056702 551156122 /nfs/dbraw/zinc/15/61/22/551156122.db2.gz MCFAZSPVWYCTNW-UHFFFAOYSA-N 0 1 384.498 2.709 20 0 GFADMN CN(Cc1csc(Br)c1)C(=O)NCCCCN1CCOCC1 ZINC000057483935 551180555 /nfs/dbraw/zinc/18/05/55/551180555.db2.gz URKZQZMSYMNEBI-UHFFFAOYSA-N 0 1 390.347 2.764 20 0 GFADMN CC[C@@H](CO)N1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000093740155 551195690 /nfs/dbraw/zinc/19/56/90/551195690.db2.gz QPJHBYRRSPFRPE-INIZCTEOSA-N 0 1 393.329 2.728 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000106553687 551200348 /nfs/dbraw/zinc/20/03/48/551200348.db2.gz UTRREDZUKDZPRO-ZIAGYGMSSA-N 0 1 387.355 2.860 20 0 GFADMN CN1CCCN(C(=O)c2ccccc2NC(=O)CSC(F)(F)F)CC1 ZINC000116325610 551211966 /nfs/dbraw/zinc/21/19/66/551211966.db2.gz MMMCFKDBQJNEQU-UHFFFAOYSA-N 0 1 375.416 2.656 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000121859400 551244259 /nfs/dbraw/zinc/24/42/59/551244259.db2.gz RHIGBRNRXZEKSL-OAHLLOKOSA-N 0 1 378.885 2.923 20 0 GFADMN O=S(=O)(NCCNCc1ccc(Br)c(F)c1)c1cccs1 ZINC000122263119 551296817 /nfs/dbraw/zinc/29/68/17/551296817.db2.gz HNOJCLYYXDIMDL-UHFFFAOYSA-N 0 1 393.303 2.718 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C(N)=O)c(C)c2)c1 ZINC000124471842 551315232 /nfs/dbraw/zinc/31/52/32/551315232.db2.gz JSIPUZVUPBKZJD-UHFFFAOYSA-N 0 1 383.267 2.966 20 0 GFADMN O=C(NCCCCN1CCOCC1)c1cc2c(cccc2Br)[nH]1 ZINC000124660579 551316193 /nfs/dbraw/zinc/31/61/93/551316193.db2.gz DNYQIBZIPAVLKZ-UHFFFAOYSA-N 0 1 380.286 2.773 20 0 GFADMN O=C(CN1CCC(COc2cc(Cl)cc(Cl)c2)CC1)N1CCNC1=O ZINC000125665065 551322550 /nfs/dbraw/zinc/32/25/50/551322550.db2.gz OXOMALXJEMTXPP-UHFFFAOYSA-N 0 1 386.279 2.636 20 0 GFADMN COc1ccc([C@@H](CNC(=O)CSc2nncs2)N2CCCC2)cc1 ZINC000126706857 551331864 /nfs/dbraw/zinc/33/18/64/551331864.db2.gz OMSLCGIMXINVMT-OAHLLOKOSA-N 0 1 378.523 2.592 20 0 GFADMN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ncc(C)cc1Br ZINC000129462264 551357921 /nfs/dbraw/zinc/35/79/21/551357921.db2.gz JNLKKXJKZLDDHQ-UHFFFAOYSA-N 0 1 379.667 2.649 20 0 GFADMN Cc1cc2cccnc2c(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000132801762 551378986 /nfs/dbraw/zinc/37/89/86/551378986.db2.gz SJWOGNLPBVSRMX-UHFFFAOYSA-N 0 1 376.459 2.748 20 0 GFADMN NC(=O)CCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000133122332 551381355 /nfs/dbraw/zinc/38/13/55/551381355.db2.gz CCBMXSPFKZZAKF-UHFFFAOYSA-N 0 1 379.210 2.661 20 0 GFADMN O[C@@H](CN(Cc1ccccc1Br)C1CCCC1)CN1CCOCC1 ZINC000133450873 551382862 /nfs/dbraw/zinc/38/28/62/551382862.db2.gz NYHUPSCUIQRNKP-GOSISDBHSA-N 0 1 397.357 2.887 20 0 GFADMN C[C@@H](C[S@](C)=O)N(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000135663761 551388286 /nfs/dbraw/zinc/38/82/86/551388286.db2.gz SSMLWMARSPXOGB-MLMJSJRWSA-N 0 1 384.299 2.678 20 0 GFADMN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCN(C2CC2)CC1 ZINC000148928995 551398429 /nfs/dbraw/zinc/39/84/29/551398429.db2.gz NIRIEBZPZMWTBV-LBPRGKRZSA-N 0 1 384.307 2.808 20 0 GFADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1Br ZINC000151140178 551408254 /nfs/dbraw/zinc/40/82/54/551408254.db2.gz KSSDJORJNOYOGT-CYBMUJFWSA-N 0 1 384.318 2.608 20 0 GFADMN COC1CCN(CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000151722411 551419940 /nfs/dbraw/zinc/41/99/40/551419940.db2.gz CLAQSUUESAQPFA-UHFFFAOYSA-N 0 1 381.325 2.524 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1Br ZINC000152448619 551432978 /nfs/dbraw/zinc/43/29/78/551432978.db2.gz ZMPNWNTUZMIVFW-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN(CCCCO)C1CC1 ZINC000152548438 551435307 /nfs/dbraw/zinc/43/53/07/551435307.db2.gz AKZALVLGTWOYNK-UHFFFAOYSA-N 0 1 375.332 2.706 20 0 GFADMN COC(=O)c1cccc(CCN[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000152695992 551438129 /nfs/dbraw/zinc/43/81/29/551438129.db2.gz LPEVJMZSCZKAMO-INIZCTEOSA-N 0 1 391.265 2.594 20 0 GFADMN C[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C[C@H](C)N1 ZINC000153337380 551450675 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ZINC000378105068 563496138 /nfs/dbraw/zinc/49/61/38/563496138.db2.gz WULPQIGSOVTSSK-GFCCVEGCSA-N 0 1 393.260 2.937 20 0 GFADMN COC[C@@](C)(CC(=O)OC)NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000428776391 563501505 /nfs/dbraw/zinc/50/15/05/563501505.db2.gz FDHCTVIBKVHPTH-PIGZYNQJSA-N 0 1 391.295 2.728 20 0 GFADMN C[C@H](c1ccccc1)[C@@H](NCc1cc2c(c(Br)c1)OCO2)C(N)=O ZINC000428857391 563503661 /nfs/dbraw/zinc/50/36/61/563503661.db2.gz RHUPSUJGPOVDQV-BDJLRTHQSA-N 0 1 391.265 2.925 20 0 GFADMN COC(=O)CN(Cc1n[nH]c(C(C)C)n1)Cc1cccc(Br)c1 ZINC000428941145 563505097 /nfs/dbraw/zinc/50/50/97/563505097.db2.gz UETYCXKYJUCWHG-UHFFFAOYSA-N 0 1 381.274 2.866 20 0 GFADMN COc1ccc([C@H](O)[C@H]2CCCN2C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000378426709 563506862 /nfs/dbraw/zinc/50/68/62/563506862.db2.gz PZDFFVQZIVTFKK-OCCSQVGLSA-N 0 1 397.547 2.652 20 0 GFADMN O=C(CN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1)NC1CCOCC1 ZINC000378496674 563509252 /nfs/dbraw/zinc/50/92/52/563509252.db2.gz LUPFRNINLFIPRT-KZULUSFZSA-N 0 1 387.307 2.956 20 0 GFADMN CC(=O)N[C@H](CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000330601686 563512590 /nfs/dbraw/zinc/51/25/90/563512590.db2.gz GQPGSJIQWHCGCV-IIYDPXPESA-N 0 1 396.329 2.567 20 0 GFADMN CSC[C@@H](NCCNS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000429456510 563516900 /nfs/dbraw/zinc/51/69/00/563516900.db2.gz SMMJYGLOTIJEBI-CQSZACIVSA-N 0 1 399.504 2.532 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449264 563521573 /nfs/dbraw/zinc/52/15/73/563521573.db2.gz YIQBMDVFMFLTOW-QWRGUYRKSA-N 0 1 379.345 2.758 20 0 GFADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000429819650 563524108 /nfs/dbraw/zinc/52/41/08/563524108.db2.gz JLEQSPYHMOOLIP-ZWNOBZJWSA-N 0 1 393.734 2.817 20 0 GFADMN Cc1nc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2Br)n[nH]1 ZINC000285502522 563524265 /nfs/dbraw/zinc/52/42/65/563524265.db2.gz XUMIBLQRSNNFEE-LURJTMIESA-N 0 1 379.667 2.569 20 0 GFADMN CNS(=O)(=O)NC1CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000330895027 563526051 /nfs/dbraw/zinc/52/60/51/563526051.db2.gz FWRQIWGPICQVDG-UHFFFAOYSA-N 0 1 383.514 2.572 20 0 GFADMN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1cccc(Cl)c1Br ZINC000285564642 563526617 /nfs/dbraw/zinc/52/66/17/563526617.db2.gz JFYGVFQRQUKWFO-UHFFFAOYSA-N 0 1 391.678 2.578 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1Br ZINC000330961888 563529751 /nfs/dbraw/zinc/52/97/51/563529751.db2.gz PWGMFYJAFFWTHN-SNVBAGLBSA-N 0 1 386.290 2.929 20 0 GFADMN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000331044437 563533244 /nfs/dbraw/zinc/53/32/44/563533244.db2.gz SQFCUVRMYZIJRO-CYBMUJFWSA-N 0 1 391.331 2.609 20 0 GFADMN CNC(=O)[C@]1(C)CCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000430278741 563540072 /nfs/dbraw/zinc/54/00/72/563540072.db2.gz QPHCOCVZWJMMEU-OAHLLOKOSA-N 0 1 375.694 2.939 20 0 GFADMN COc1cc(Br)ccc1CNC(=O)N1CCN(CC(C)C)CC1 ZINC000430274010 563540243 /nfs/dbraw/zinc/54/02/43/563540243.db2.gz GHSCGTPNTYBKOR-UHFFFAOYSA-N 0 1 384.318 2.941 20 0 GFADMN C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)N1CCCC[C@H]1C ZINC000331462235 563549754 /nfs/dbraw/zinc/54/97/54/563549754.db2.gz ZEGJHVSURHFHTQ-MNOVXSKESA-N 0 1 393.285 2.845 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CN1C1CC1 ZINC000331480138 563550656 /nfs/dbraw/zinc/55/06/56/563550656.db2.gz JLYKUCBITTXQQN-NWDGAFQWSA-N 0 1 378.416 2.531 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408307948 563550767 /nfs/dbraw/zinc/55/07/67/563550767.db2.gz UGYYSIZOUIBFLW-CYBMUJFWSA-N 0 1 392.175 2.855 20 0 GFADMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1nc2cc(Br)ccc2o1 ZINC000286234345 563552845 /nfs/dbraw/zinc/55/28/45/563552845.db2.gz ZGSBMXFVNKAVLC-TZMCWYRMSA-N 0 1 380.286 2.885 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC2(C1)CCOCC2 ZINC000408439621 563555502 /nfs/dbraw/zinc/55/55/02/563555502.db2.gz SVJPTNLSSWKWBE-UHFFFAOYSA-N 0 1 391.265 2.933 20 0 GFADMN CC1CCN(S(=O)(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CC1 ZINC000408436358 563555511 /nfs/dbraw/zinc/55/55/11/563555511.db2.gz BTNQMVYCEYEMPT-GFCCVEGCSA-N 0 1 380.436 2.585 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc(Cl)cc2Br)C1 ZINC000331778150 563561827 /nfs/dbraw/zinc/56/18/27/563561827.db2.gz DLNKBQFWQLRRCT-SKDRFNHKSA-N 0 1 385.649 2.823 20 0 GFADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)c(=O)[nH]c2C)n[nH]1 ZINC000286508485 563563490 /nfs/dbraw/zinc/56/34/90/563563490.db2.gz OARYZTHUIVXLSL-CBAPKCEASA-N 0 1 382.262 2.981 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2ccc(I)cc2Cl)n[nH]1 ZINC000286528563 563563936 /nfs/dbraw/zinc/56/39/36/563563936.db2.gz YJBPINXKMQXGAD-LURJTMIESA-N 0 1 390.612 2.862 20 0 GFADMN C[C@H]1CN(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1 ZINC000432340409 563581115 /nfs/dbraw/zinc/58/11/15/563581115.db2.gz MTDISSLSZLWVTD-LBPRGKRZSA-N 0 1 381.325 2.773 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@H](C)N1CCO ZINC000332249150 563587590 /nfs/dbraw/zinc/58/75/90/563587590.db2.gz BJKWSVJFZDKKJG-AHIWAGSCSA-N 0 1 396.329 2.533 20 0 GFADMN COc1cccc(S(=O)(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109520 563587786 /nfs/dbraw/zinc/58/77/86/563587786.db2.gz YJRJTYKLWXHRLF-GOSISDBHSA-N 0 1 383.897 2.836 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000432643913 563589588 /nfs/dbraw/zinc/58/95/88/563589588.db2.gz JCOUTSMZMRWBJB-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCCN(C[C@@](C)(O)C(F)(F)F)CC2)cs1 ZINC000410409598 563590005 /nfs/dbraw/zinc/59/00/05/563590005.db2.gz XTEMKYHZSVEEGB-SWLSCSKDSA-N 0 1 381.464 2.672 20 0 GFADMN CN1CCN(c2ccc(NC(=O)Cc3cscc3Br)nc2)CC1 ZINC000432674364 563591183 /nfs/dbraw/zinc/59/11/83/563591183.db2.gz ZIZKZJVMROWIRB-UHFFFAOYSA-N 0 1 395.326 2.839 20 0 GFADMN CN(C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccsc1 ZINC000287302260 563595817 /nfs/dbraw/zinc/59/58/17/563595817.db2.gz WHPJFGHSILQSER-MGPQQGTHSA-N 0 1 379.448 2.553 20 0 GFADMN COC(=O)c1csc([C@@H](C)NCCS(=O)(=O)CCc2ccccc2)c1 ZINC000287300534 563595872 /nfs/dbraw/zinc/59/58/72/563595872.db2.gz DOCARBLHVKOZKH-CQSZACIVSA-N 0 1 381.519 2.843 20 0 GFADMN O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332378747 563596332 /nfs/dbraw/zinc/59/63/32/563596332.db2.gz YHSSTCGQGAENNH-SSDOTTSWSA-N 0 1 388.168 2.836 20 0 GFADMN C[C@@H](Cn1cc(Br)cn1)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287342125 563597204 /nfs/dbraw/zinc/59/72/04/563597204.db2.gz NAWNXZIZQCUTPU-UONOGXRCSA-N 0 1 395.301 2.634 20 0 GFADMN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H](N3CCCC3)C2)ccc1Cl ZINC000332415625 563597561 /nfs/dbraw/zinc/59/75/61/563597561.db2.gz UETRFFHSWPLDTG-AWEZNQCLSA-N 0 1 385.917 2.836 20 0 GFADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000287378681 563599246 /nfs/dbraw/zinc/59/92/46/563599246.db2.gz BBKFWRCZLOPWAY-AWEZNQCLSA-N 0 1 381.263 2.869 20 0 GFADMN Cc1nc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(Br)s1 ZINC000411478491 563620224 /nfs/dbraw/zinc/62/02/24/563620224.db2.gz ULCYKRLJXGQFSS-JTQLQIEISA-N 0 1 388.331 2.539 20 0 GFADMN CN(C)c1ncc(CN(C)CCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000411492815 563621179 /nfs/dbraw/zinc/62/11/79/563621179.db2.gz DCQFVYPFZIXMFY-UHFFFAOYSA-N 0 1 392.301 2.766 20 0 GFADMN C[C@H](O)CN1CCN(Cc2c(F)c(F)c(Br)c(F)c2F)[C@H](C)C1 ZINC000411576708 563624590 /nfs/dbraw/zinc/62/45/90/563624590.db2.gz XZZYAMAOAUIJAF-BDAKNGLRSA-N 0 1 399.226 2.892 20 0 GFADMN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)c(Br)c1 ZINC000434558426 563632037 /nfs/dbraw/zinc/63/20/37/563632037.db2.gz JSXAXUZOBCIHJA-AWEZNQCLSA-N 0 1 394.313 2.829 20 0 GFADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1ccc(F)cc1Br ZINC000434560768 563632436 /nfs/dbraw/zinc/63/24/36/563632436.db2.gz BOHJJEKBHUIWPG-CYBMUJFWSA-N 0 1 398.276 2.660 20 0 GFADMN CN(C)[C@]1(CNc2c(Br)cccc2S(C)(=O)=O)CCSC1 ZINC000288180060 563632756 /nfs/dbraw/zinc/63/27/56/563632756.db2.gz BNMVGBNKRMQPEM-AWEZNQCLSA-N 0 1 393.372 2.702 20 0 GFADMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000288260103 563635765 /nfs/dbraw/zinc/63/57/65/563635765.db2.gz FLZDSEQPMFHBHQ-CTWVWSKESA-N 0 1 376.254 2.821 20 0 GFADMN CO[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(Br)cn1 ZINC000411897354 563640422 /nfs/dbraw/zinc/64/04/22/563640422.db2.gz VFRVNRCTMFCQED-PBHICJAKSA-N 0 1 376.254 2.685 20 0 GFADMN O=S(=O)(c1cc(F)ccc1Br)N1CC[C@H](N2CCCCC2)C1 ZINC000435207629 563644805 /nfs/dbraw/zinc/64/48/05/563644805.db2.gz MVWBFEIPINOMFT-ZDUSSCGKSA-N 0 1 391.306 2.837 20 0 GFADMN Cc1cccc(S(=O)(=O)NCCN2CCCC[C@@H]2C)c1Br ZINC000435221716 563645803 /nfs/dbraw/zinc/64/58/03/563645803.db2.gz ZRINIASSUHVOBL-ZDUSSCGKSA-N 0 1 375.332 2.910 20 0 GFADMN COC(=O)c1nc(NS(=O)(=O)c2ccc3c(c2)CCO3)sc1C(C)C ZINC000288639823 563651179 /nfs/dbraw/zinc/65/11/79/563651179.db2.gz STAPWOWBMXJCKO-UHFFFAOYSA-N 0 1 382.463 2.789 20 0 GFADMN CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000288654418 563652311 /nfs/dbraw/zinc/65/23/11/563652311.db2.gz BBHPWUPQSYNNHF-JTQLQIEISA-N 0 1 380.869 2.576 20 0 GFADMN CSc1n[nH]c(NC(=O)c2cc(I)c(F)cc2F)n1 ZINC000435675937 563656405 /nfs/dbraw/zinc/65/64/05/563656405.db2.gz PHBQPKMKSSZPLC-UHFFFAOYSA-N 0 1 396.160 2.662 20 0 GFADMN O=C1[C@H]2CCCCN2C(=O)N1Cc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000348875847 563657379 /nfs/dbraw/zinc/65/73/79/563657379.db2.gz PATBGBWGAGEMCD-GFCCVEGCSA-N 0 1 390.241 2.551 20 0 GFADMN O=C1[C@H]2CCCCN2C(=O)N1Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000348875847 563657381 /nfs/dbraw/zinc/65/73/81/563657381.db2.gz PATBGBWGAGEMCD-GFCCVEGCSA-N 0 1 390.241 2.551 20 0 GFADMN C[C@H](NC(=O)NCCCCN1CCOCC1)c1ccc(Br)s1 ZINC000435800635 563658999 /nfs/dbraw/zinc/65/89/99/563658999.db2.gz QETSFPVMILWWJL-LBPRGKRZSA-N 0 1 390.347 2.983 20 0 GFADMN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000412487959 563659252 /nfs/dbraw/zinc/65/92/52/563659252.db2.gz KMLMTRHTZOGCTO-AWEZNQCLSA-N 0 1 381.885 2.593 20 0 GFADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)CC1 ZINC000436094535 563664212 /nfs/dbraw/zinc/66/42/12/563664212.db2.gz UGWBTRFRWUJZBX-HNNXBMFYSA-N 0 1 375.296 2.596 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)C[N@H+](C)C(C)C)c(F)c1Cl ZINC000289703591 563683505 /nfs/dbraw/zinc/68/35/05/563683505.db2.gz WJKYZKDOVRTYFL-SECBINFHSA-N 0 1 397.875 2.584 20 0 GFADMN COCc1nc([C@@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2Cl)n[nH]1 ZINC000289704473 563684090 /nfs/dbraw/zinc/68/40/90/563684090.db2.gz DTWRQAZPSYUXSS-LBPRGKRZSA-N 0 1 388.852 2.660 20 0 GFADMN COCCNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2O)c1 ZINC000436872640 563684483 /nfs/dbraw/zinc/68/44/83/563684483.db2.gz KTCCPGWESRTBDQ-UHFFFAOYSA-N 0 1 393.237 2.783 20 0 GFADMN C[C@@]1(C[C@H]2CCCN2Cc2ccc(F)cc2Br)NC(=O)NC1=O ZINC000289963242 563693040 /nfs/dbraw/zinc/69/30/40/563693040.db2.gz ZECLDBSZZNJJLX-WBMJQRKESA-N 0 1 384.249 2.541 20 0 GFADMN O=C(c1ccc(C2SCCS2)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000360585314 563693816 /nfs/dbraw/zinc/69/38/16/563693816.db2.gz RCVAWZUKODUKIX-SJORKVTESA-N 0 1 378.563 2.836 20 0 GFADMN C[C@@H]1CN(c2cc(Br)cnc2C(N)=O)CCN1Cc1ccccc1 ZINC000413530848 563696095 /nfs/dbraw/zinc/69/60/95/563696095.db2.gz KQZNHTYJIKOUHJ-CYBMUJFWSA-N 0 1 389.297 2.654 20 0 GFADMN COc1ccc([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)cc1Br ZINC000361943529 563702090 /nfs/dbraw/zinc/70/20/90/563702090.db2.gz KPMJAXGRVJSCJE-LRDDRELGSA-N 0 1 397.313 2.888 20 0 GFADMN C[S@](=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000438755121 563709388 /nfs/dbraw/zinc/70/93/88/563709388.db2.gz DZYBLHCJLTYSRT-QHCPKHFHSA-N 0 1 387.866 2.649 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(c2noc3ccc(Br)cc32)C1 ZINC000290534042 563712803 /nfs/dbraw/zinc/71/28/03/563712803.db2.gz ABDIDNJOGHVJLQ-PWSUYJOCSA-N 0 1 378.230 2.983 20 0 GFADMN O=C(NCC[NH+]1CCSCC1)c1cc(Cl)cc(Br)c1[O-] ZINC000438903268 563713165 /nfs/dbraw/zinc/71/31/65/563713165.db2.gz VLPWLKXYGKAGGO-UHFFFAOYSA-N 0 1 379.707 2.587 20 0 GFADMN O=C(Cc1ccccc1Br)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000363363222 563720221 /nfs/dbraw/zinc/72/02/21/563720221.db2.gz UJRDWXOIQJHYOR-WBVHZDCISA-N 0 1 381.314 2.609 20 0 GFADMN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000414212662 563722520 /nfs/dbraw/zinc/72/25/20/563722520.db2.gz RIJLAFQSKFATFK-SECBINFHSA-N 0 1 395.308 2.921 20 0 GFADMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000414205768 563722593 /nfs/dbraw/zinc/72/25/93/563722593.db2.gz DEHHRNSMECRUDB-CVEARBPZSA-N 0 1 393.958 2.579 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439340042 563723131 /nfs/dbraw/zinc/72/31/31/563723131.db2.gz HXISWFPDKFDGPL-SNVBAGLBSA-N 0 1 388.693 2.594 20 0 GFADMN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000414226862 563723463 /nfs/dbraw/zinc/72/34/63/563723463.db2.gz WHPMDRSCXSQCKU-KPPDAEKUSA-N 0 1 386.436 2.535 20 0 GFADMN Cc1nc([C@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2)n[nH]1 ZINC000363485416 563723685 /nfs/dbraw/zinc/72/36/85/563723685.db2.gz PIWAVLYNRSCCMF-MRXNPFEDSA-N 0 1 376.869 2.976 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)[C@@H](C)[C@@H](C)O1 ZINC000439440712 563725299 /nfs/dbraw/zinc/72/52/99/563725299.db2.gz OQJPJBLJKJDFOQ-ZAZJYDDPSA-N 0 1 376.266 2.826 20 0 GFADMN CCn1ccnc1NCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000414306436 563725515 /nfs/dbraw/zinc/72/55/15/563725515.db2.gz TUMGVPYGNUPXRI-NSHDSACASA-N 0 1 381.274 2.791 20 0 GFADMN Cc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000414339070 563727511 /nfs/dbraw/zinc/72/75/11/563727511.db2.gz FOYJBVWDEDLNIS-UHFFFAOYSA-N 0 1 377.286 2.686 20 0 GFADMN CC[C@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)c1ccncc1 ZINC000414358602 563729300 /nfs/dbraw/zinc/72/93/00/563729300.db2.gz MFIFWKYBGVUKFF-AWEZNQCLSA-N 0 1 384.299 2.732 20 0 GFADMN O=C(CN1CCS[C@H]2CCCC[C@H]21)N1CCN(Cc2cccs2)CC1 ZINC000439616622 563729991 /nfs/dbraw/zinc/72/99/91/563729991.db2.gz SKPWFSFXLKAZQN-MSOLQXFVSA-N 0 1 379.595 2.752 20 0 GFADMN O=Cc1ccc(OCC(=O)N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000363757583 563732592 /nfs/dbraw/zinc/73/25/92/563732592.db2.gz BULWLVZDWQRQGB-ZDUSSCGKSA-N 0 1 378.226 2.557 20 0 GFADMN Cc1cc(F)ccc1-n1ccc(NC(=O)CSc2n[nH]c(=S)s2)n1 ZINC000363760423 563732600 /nfs/dbraw/zinc/73/26/00/563732600.db2.gz ZFCCGCFXIBNHSJ-UHFFFAOYSA-N 0 1 381.483 3.191 20 0 GFADMN CCc1n[nH]c(C(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1Br ZINC000363747669 563732647 /nfs/dbraw/zinc/73/26/47/563732647.db2.gz CDFXWVBCFLEYLO-ZDUSSCGKSA-N 0 1 389.257 2.681 20 0 GFADMN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Br)s1 ZINC000440079341 563735174 /nfs/dbraw/zinc/73/51/74/563735174.db2.gz XKHVFDSUWXCSIX-GHMZBOCLSA-N 0 1 381.361 2.909 20 0 GFADMN O[C@@H](Cn1cccn1)CN1CCC[C@@H]1c1ccccc1I ZINC000364067029 563742270 /nfs/dbraw/zinc/74/22/70/563742270.db2.gz QVLHRPZZWOZSPI-CZUORRHYSA-N 0 1 397.260 2.686 20 0 GFADMN COc1c(Br)c(C)sc1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000364089009 563742924 /nfs/dbraw/zinc/74/29/24/563742924.db2.gz OXMIVZMBJRPBMA-SECBINFHSA-N 0 1 385.287 2.966 20 0 GFADMN Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)sc1C(=O)[O-] ZINC000364108214 563742986 /nfs/dbraw/zinc/74/29/86/563742986.db2.gz AIOBHVZLXGUPJR-ZDUSSCGKSA-N 0 1 386.539 2.830 20 0 GFADMN CCOCCOc1ccc(Br)cc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000414494970 563744733 /nfs/dbraw/zinc/74/47/33/563744733.db2.gz GFHZRNNTHZVUDE-CQSZACIVSA-N 0 1 399.329 2.775 20 0 GFADMN CCS(=O)(=O)CCCNCc1cc(Br)ccc1OC(F)F ZINC000414540918 563745838 /nfs/dbraw/zinc/74/58/38/563745838.db2.gz HRWHRDPHUUEEHA-UHFFFAOYSA-N 0 1 386.258 2.965 20 0 GFADMN NCc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)co1 ZINC000364218594 563746328 /nfs/dbraw/zinc/74/63/28/563746328.db2.gz HQDLYRNBVFGCPS-HNNXBMFYSA-N 0 1 392.253 2.744 20 0 GFADMN Cc1cc(Br)c(C[NH2+][C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000414668440 563749461 /nfs/dbraw/zinc/74/94/61/563749461.db2.gz XIFPGEJXMSONPF-DGCLKSJQSA-N 0 1 389.315 2.619 20 0 GFADMN O=C(NC1CC1)C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000364348472 563750624 /nfs/dbraw/zinc/75/06/24/563750624.db2.gz SUQKOAMRSJTMMG-UHFFFAOYSA-N 0 1 377.286 2.816 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1nnc[nH]1 ZINC000364374460 563751200 /nfs/dbraw/zinc/75/12/00/563751200.db2.gz NAWFQUIKGAJQEU-HNXYLICVSA-N 0 1 382.251 2.508 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC[NH2+]C1)c1ccc(Br)c(Cl)c1Cl ZINC000440843199 563751671 /nfs/dbraw/zinc/75/16/71/563751671.db2.gz KWGLGTMTWGUOEF-ZETCQYMHSA-N 0 1 388.114 2.644 20 0 GFADMN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000440843206 563751906 /nfs/dbraw/zinc/75/19/06/563751906.db2.gz KYVRXHZUOQCPPN-ZCFIWIBFSA-N 0 1 376.103 2.629 20 0 GFADMN O=S(=O)(NCCNCc1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000441336059 563757796 /nfs/dbraw/zinc/75/77/96/563757796.db2.gz AKQOMINYINDSLB-UHFFFAOYSA-N 0 1 378.803 2.825 20 0 GFADMN O=S(=O)(NCCNCc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000441382218 563758847 /nfs/dbraw/zinc/75/88/47/563758847.db2.gz NQKIRZHJNKCVAY-UHFFFAOYSA-N 0 1 396.793 2.965 20 0 GFADMN CN1CCC[C@@]2(CCN(Cc3nc4cc(Br)ccc4[nH]3)C2)C1=O ZINC000364609641 563759613 /nfs/dbraw/zinc/75/96/13/563759613.db2.gz ZENYGGIWATWEMM-KRWDZBQOSA-N 0 1 377.286 2.770 20 0 GFADMN CC(C)c1nc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000291915448 563764846 /nfs/dbraw/zinc/76/48/46/563764846.db2.gz MSDFWBKUCKRAMW-UHFFFAOYSA-N 0 1 376.251 2.945 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000364939517 563769781 /nfs/dbraw/zinc/76/97/81/563769781.db2.gz XWAQNQBHONXPPX-CQSZACIVSA-N 0 1 383.330 2.642 20 0 GFADMN Cc1csc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1I ZINC000364959480 563770375 /nfs/dbraw/zinc/77/03/75/563770375.db2.gz ZNNWWVSTXNGKHW-MRVPVSSYSA-N 0 1 387.246 2.672 20 0 GFADMN COC(=O)c1nc(N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)sc1C ZINC000365052796 563772897 /nfs/dbraw/zinc/77/28/97/563772897.db2.gz KKMBOIXWSAQBJB-QMTHXVAHSA-N 0 1 380.539 3.326 20 0 GFADMN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000365104002 563773675 /nfs/dbraw/zinc/77/36/75/563773675.db2.gz YMBXTJVDANXZMM-MRVPVSSYSA-N 0 1 379.244 2.819 20 0 GFADMN O=C(Nc1nc(Cc2ccccc2Br)cs1)N1CCNCC1 ZINC000415456962 563777048 /nfs/dbraw/zinc/77/70/48/563777048.db2.gz WWWUWWKZLZROBA-UHFFFAOYSA-N 0 1 381.299 2.934 20 0 GFADMN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000442739998 563777381 /nfs/dbraw/zinc/77/73/81/563777381.db2.gz KWFIMQUCWVFIHX-AWEZNQCLSA-N 0 1 388.555 2.776 20 0 GFADMN COc1ccc(Br)cc1CN(C)C[C@H](O)COCC(F)(F)F ZINC000292300920 563782052 /nfs/dbraw/zinc/78/20/52/563782052.db2.gz ALBQAXYIFFLVMT-LBPRGKRZSA-N 0 1 386.208 2.829 20 0 GFADMN CSC[C@H]1CCCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000292446579 563787129 /nfs/dbraw/zinc/78/71/29/563787129.db2.gz PAMNCWDFIVCXCZ-INIZCTEOSA-N 0 1 384.567 2.884 20 0 GFADMN Cc1nc2cc(Cl)c(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2s1 ZINC000415630841 563788652 /nfs/dbraw/zinc/78/86/52/563788652.db2.gz LNIPOJWSLPPQOK-PHIMTYICSA-N 0 1 378.885 2.550 20 0 GFADMN COC(=O)c1sccc1S(=O)(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000443099292 563791941 /nfs/dbraw/zinc/79/19/41/563791941.db2.gz SNMRPJRNYKONKL-OKILXGFUSA-N 0 1 388.555 2.571 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NCc1nnc(-c2ccccc2)s1 ZINC000366115975 563799807 /nfs/dbraw/zinc/79/98/07/563799807.db2.gz XKQBIZRTNJFUGU-UHFFFAOYSA-N 0 1 381.533 2.754 20 0 GFADMN O=C(NC[C@H]1CC12CC2)c1c[nH]c2ccc(I)cc2c1=O ZINC000416254937 563812345 /nfs/dbraw/zinc/81/23/45/563812345.db2.gz HBDALZWEWFEKDX-SECBINFHSA-N 0 1 394.212 2.663 20 0 GFADMN Cc1c([C@@H](C)NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)cnn1C ZINC000443948562 563816163 /nfs/dbraw/zinc/81/61/63/563816163.db2.gz NHNOGRVLZXEPCE-SECBINFHSA-N 0 1 389.253 2.824 20 0 GFADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000416373284 563819019 /nfs/dbraw/zinc/81/90/19/563819019.db2.gz ONZVKEJSVCTEBX-CHWSQXEVSA-N 0 1 388.917 2.668 20 0 GFADMN Brc1ccc(N2CC[C@@H](N[C@H](c3nnc[nH]3)c3cccnc3)C2)cc1 ZINC000293877374 563827159 /nfs/dbraw/zinc/82/71/59/563827159.db2.gz VFMRBARTGKOMTK-WBVHZDCISA-N 0 1 399.296 2.920 20 0 GFADMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011531 563827435 /nfs/dbraw/zinc/82/74/35/563827435.db2.gz SHPYFZCSVCFOQJ-WMLDXEAASA-N 0 1 393.329 2.986 20 0 GFADMN CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F ZINC000367038165 563828278 /nfs/dbraw/zinc/82/82/78/563828278.db2.gz XMJZKWKHWQAWJH-HIFRSBDPSA-N 0 1 379.448 2.541 20 0 GFADMN O=C(N[C@@H](CCO)c1ccco1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444361943 563830492 /nfs/dbraw/zinc/83/04/92/563830492.db2.gz HVBVPKQANWBKSI-AWEZNQCLSA-N 0 1 391.221 2.737 20 0 GFADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cn4ccc(Br)cc4n3)C2)C1 ZINC000294209716 563834310 /nfs/dbraw/zinc/83/43/10/563834310.db2.gz QNRGSSVIVVCAOP-QGZVFWFLSA-N 0 1 377.286 2.655 20 0 GFADMN O=C([C@@H]1CCCc2c[nH]nc21)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000367185990 563834340 /nfs/dbraw/zinc/83/43/40/563834340.db2.gz OBIAOMPWJHYBOL-CYBMUJFWSA-N 0 1 380.279 2.880 20 0 GFADMN C[C@](CO)(NCc1ccc2c(c1)NC(=O)CO2)c1ccc(Br)cc1 ZINC000294534697 563845584 /nfs/dbraw/zinc/84/55/84/563845584.db2.gz DHQBMGDFHXXQBN-GOSISDBHSA-N 0 1 391.265 2.777 20 0 GFADMN CN(C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1cccc(F)c1 ZINC000445250638 563846616 /nfs/dbraw/zinc/84/66/16/563846616.db2.gz OWNZUPJJDCNPFZ-CYBMUJFWSA-N 0 1 382.233 2.722 20 0 GFADMN COc1ccc([C@H](CO)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000416563754 563849027 /nfs/dbraw/zinc/84/90/27/563849027.db2.gz 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/nfs/dbraw/zinc/15/16/22/565151622.db2.gz SPHSNSVDGQVZBR-CQSZACIVSA-N 0 1 396.329 2.993 20 0 GFADMN O=C(NCCc1ccc(Br)cc1Cl)[C@@H]1CCCc2n[nH]nc21 ZINC000615405165 565159601 /nfs/dbraw/zinc/15/96/01/565159601.db2.gz CLPYLAARUXUBGW-LLVKDONJSA-N 0 1 383.677 2.999 20 0 GFADMN CCN(C(=O)C(=O)Nc1cccc(Cl)c1Br)[C@H]1CCN(C)C1 ZINC000658362629 565161876 /nfs/dbraw/zinc/16/18/76/565161876.db2.gz VVRNKGQJKHKJGT-JTQLQIEISA-N 0 1 388.693 2.594 20 0 GFADMN Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(SCC(N)=O)s3)[nH]n2)o1 ZINC000615558859 565166269 /nfs/dbraw/zinc/16/62/69/565166269.db2.gz VEDPZIKXSLSNRM-UHFFFAOYSA-N 0 1 377.451 2.573 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000658502972 565174584 /nfs/dbraw/zinc/17/45/84/565174584.db2.gz WPTDPNAKIUTCFV-OAHLLOKOSA-N 0 1 386.323 2.941 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000590068955 565177259 /nfs/dbraw/zinc/17/72/59/565177259.db2.gz DJDVXKFAHPPEDE-LLVKDONJSA-N 0 1 391.331 2.609 20 0 GFADMN C[C@@H](O)CN(Cc1cnn2cc(Br)cnc12)Cc1ccccc1 ZINC000637951755 565178675 /nfs/dbraw/zinc/17/86/75/565178675.db2.gz RDCAZJGCOUKETD-CYBMUJFWSA-N 0 1 375.270 2.875 20 0 GFADMN COc1cccc(C[C@H](N)C(=O)NCc2ccc(OC)c(Br)c2)c1 ZINC000637972739 565179288 /nfs/dbraw/zinc/17/92/88/565179288.db2.gz QSPAOSJUBQGGBD-INIZCTEOSA-N 0 1 393.281 2.653 20 0 GFADMN CC[C@@H](C)N1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000615983771 565183749 /nfs/dbraw/zinc/18/37/49/565183749.db2.gz DKJWQTKGNBCKOL-GFCCVEGCSA-N 0 1 383.286 2.777 20 0 GFADMN O=C(CN1CCN(CCC[C@@H]2CCO2)CC1)Nc1ccc(Br)cc1 ZINC000638176571 565187330 /nfs/dbraw/zinc/18/73/30/565187330.db2.gz FFKSBERMEANXAA-QGZVFWFLSA-N 0 1 396.329 2.574 20 0 GFADMN CN1CC[C@H](NCc2nnc3n2CCC3)C[C@@H]1c1ccc(Br)cc1 ZINC000638346253 565192845 /nfs/dbraw/zinc/19/28/45/565192845.db2.gz GYCYIKNOOGPPAL-JKSUJKDBSA-N 0 1 390.329 2.912 20 0 GFADMN Cc1c(F)c(Br)ccc1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000616694419 565206425 /nfs/dbraw/zinc/20/64/25/565206425.db2.gz 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ZINC000639202050 565231895 /nfs/dbraw/zinc/23/18/95/565231895.db2.gz RJYKUNQJAGRCSC-LDWIPMOCSA-N 0 1 375.210 2.850 20 0 GFADMN CC(C)(C)N1CC[C@H](NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000617343691 565233763 /nfs/dbraw/zinc/23/37/63/565233763.db2.gz XGWYUDXFACFTSG-HNNXBMFYSA-N 0 1 386.945 2.883 20 0 GFADMN CO[C@H](C)c1nc(CN2CCCN(CCO[C@@H]3CC3(F)F)CC2)cs1 ZINC000659993750 565235954 /nfs/dbraw/zinc/23/59/54/565235954.db2.gz NANOPCRGYQECQQ-UKRRQHHQSA-N 0 1 375.485 2.782 20 0 GFADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)Cc1cc(F)ccc1Br ZINC000660006898 565237789 /nfs/dbraw/zinc/23/77/89/565237789.db2.gz FUXZQTPIQFQGAE-CQSZACIVSA-N 0 1 393.322 2.834 20 0 GFADMN CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000617539317 565245555 /nfs/dbraw/zinc/24/55/55/565245555.db2.gz POGFHQKIDPOUND-JVLSTEMRSA-N 0 1 396.285 2.621 20 0 GFADMN COc1ccc(Br)cc1C1(NC[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000639692026 565255269 /nfs/dbraw/zinc/25/52/69/565255269.db2.gz AUOYTMXLDOKIPK-RHSMWYFYSA-N 0 1 384.314 2.948 20 0 GFADMN CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000660149205 565259892 /nfs/dbraw/zinc/25/98/92/565259892.db2.gz BNDQFAMFUAWZHK-ZDUSSCGKSA-N 0 1 390.908 2.743 20 0 GFADMN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)c(OC)cc2OC)[C@@H]1SC ZINC000592174228 565261959 /nfs/dbraw/zinc/26/19/59/565261959.db2.gz IXDMNPLCNNKLMI-VMGRFDJRSA-N 0 1 388.917 2.794 20 0 GFADMN O=C(CCOc1cccc(Cl)c1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592410752 565275076 /nfs/dbraw/zinc/27/50/76/565275076.db2.gz LSPOABRCRXDFIN-HUUCEWRRSA-N 0 1 387.307 2.820 20 0 GFADMN O=C(N1CCN([C@@H]2CCC[C@@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406937 565275514 /nfs/dbraw/zinc/27/55/14/565275514.db2.gz SYRIMIFTNLIQNQ-SJORKVTESA-N 0 1 393.325 2.538 20 0 GFADMN CCc1nc([C@@H](C)N(C)Cc2cn(-c3cccc(Br)c3)nn2)n[nH]1 ZINC000660454951 565275936 /nfs/dbraw/zinc/27/59/36/565275936.db2.gz CZZHDTBMMUHESF-LLVKDONJSA-N 0 1 390.289 2.903 20 0 GFADMN O=C(CN1CCC[C@H](CCO)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000660837182 565295201 /nfs/dbraw/zinc/29/52/01/565295201.db2.gz JCHUSDJZWZCCDG-LBPRGKRZSA-N 0 1 380.286 2.993 20 0 GFADMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@@H]1CCCc2cn[nH]c21 ZINC000640385816 565306101 /nfs/dbraw/zinc/30/61/01/565306101.db2.gz ZSTSPHJXGOYSDS-ZCFIWIBFSA-N 0 1 382.318 3.114 20 0 GFADMN CC(C)Oc1cc(NC(=O)NC[C@@H]2CN(C)CCN2C)ccc1Br ZINC000640440653 565308288 /nfs/dbraw/zinc/30/82/88/565308288.db2.gz DXKHVTNQJQAPNR-CQSZACIVSA-N 0 1 399.333 2.604 20 0 GFADMN CN(CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)[C@@H]1CCSC1 ZINC000618773541 565315946 /nfs/dbraw/zinc/31/59/46/565315946.db2.gz MMCUUUILOWRZAD-CVEARBPZSA-N 0 1 399.354 2.786 20 0 GFADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000640801144 565328561 /nfs/dbraw/zinc/32/85/61/565328561.db2.gz ARIWBNOEQKUQLG-DFKRKDTASA-N 0 1 384.267 2.963 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000619336808 565336784 /nfs/dbraw/zinc/33/67/84/565336784.db2.gz NURYLUGOCFTGKP-KRWDZBQOSA-N 0 1 397.361 2.617 20 0 GFADMN CCCCc1noc(Cn2cc([C@@H](N)c3ccc(Br)cc3)nn2)n1 ZINC000640921895 565337250 /nfs/dbraw/zinc/33/72/50/565337250.db2.gz LKKSCHCQDAYOLC-INIZCTEOSA-N 0 1 391.273 2.863 20 0 GFADMN CN[C@H](C)c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924307 565337365 /nfs/dbraw/zinc/33/73/65/565337365.db2.gz AINLRLPMLAFPKI-VXGBXAGGSA-N 0 1 380.290 2.541 20 0 GFADMN N[C@H](c1cn(Cc2noc(C3CCC3)n2)nn1)c1ccc(Br)cc1 ZINC000640950951 565338883 /nfs/dbraw/zinc/33/88/83/565338883.db2.gz WSVIXXYVFNADGK-HNNXBMFYSA-N 0 1 389.257 2.788 20 0 GFADMN CCN(CC)[C@H](CNS(=O)(=O)Cc1cc(OC)ns1)c1ccccc1 ZINC000641259306 565356763 /nfs/dbraw/zinc/35/67/63/565356763.db2.gz PHZSURJIHBIWKE-MRXNPFEDSA-N 0 1 383.539 2.654 20 0 GFADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641300458 565360904 /nfs/dbraw/zinc/36/09/04/565360904.db2.gz BYNAKVBITMNUAS-HNNXBMFYSA-N 0 1 382.423 2.704 20 0 GFADMN COc1cc(CS(=O)(=O)N(CCN2CCCC2)c2ccccc2)sn1 ZINC000641348594 565363855 /nfs/dbraw/zinc/36/38/55/565363855.db2.gz PHNCPFILQNVCIG-UHFFFAOYSA-N 0 1 381.523 2.584 20 0 GFADMN CC[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](C)CN1CCOCC1 ZINC000620340350 565381121 /nfs/dbraw/zinc/38/11/21/565381121.db2.gz UKNZOTDZACUSTF-PBHICJAKSA-N 0 1 383.330 2.855 20 0 GFADMN N[C@@H](Cc1ccccc1)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662741578 565383521 /nfs/dbraw/zinc/38/35/21/565383521.db2.gz NVQGSAXTLWCHKG-INIZCTEOSA-N 0 1 375.266 2.740 20 0 GFADMN CC(C)(N)c1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000662715707 565383718 /nfs/dbraw/zinc/38/37/18/565383718.db2.gz VHVKGCBYGBJQEU-GFCCVEGCSA-N 0 1 393.285 2.640 20 0 GFADMN COc1cc(CNCc2ccc(C(N)=O)cc2)cc(Br)c1OC ZINC000620436309 565383963 /nfs/dbraw/zinc/38/39/63/565383963.db2.gz IVBPVLLKOIOQQD-UHFFFAOYSA-N 0 1 379.254 2.855 20 0 GFADMN CO[C@@]1(C)C[C@H]1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000620556685 565387899 /nfs/dbraw/zinc/38/78/99/565387899.db2.gz VXVQMPVVLQTLSD-PBHICJAKSA-N 0 1 380.491 2.765 20 0 GFADMN COCCCCS(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000641643226 565389199 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Cc1nccnc1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000621712612 565438633 /nfs/dbraw/zinc/43/86/33/565438633.db2.gz JGSNKKSHJANGPD-ZDUSSCGKSA-N 0 1 390.285 2.793 20 0 GFADMN O=C(CN[C@@H]1CCc2ccc(I)cc21)NCC(F)(F)F ZINC000595007580 565442752 /nfs/dbraw/zinc/44/27/52/565442752.db2.gz MSGWLZYRAPACAC-LLVKDONJSA-N 0 1 398.166 2.547 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000621819807 565444003 /nfs/dbraw/zinc/44/40/03/565444003.db2.gz UCJGHNXCCQXXRC-CVEARBPZSA-N 0 1 393.285 2.702 20 0 GFADMN COCCn1cc(CN[C@H]2CCc3ccc(I)cc32)cn1 ZINC000595039468 565444718 /nfs/dbraw/zinc/44/47/18/565444718.db2.gz PGAWXFMOWJCOGF-INIZCTEOSA-N 0 1 397.260 2.911 20 0 GFADMN COc1cc2nccc(N3CCC[C@](CO)(OC)C3)c2cc1Br ZINC000664253318 565456599 /nfs/dbraw/zinc/45/65/99/565456599.db2.gz CHEOMCUWAKEPJD-KRWDZBQOSA-N 0 1 381.270 2.984 20 0 GFADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2C(C)(C)C2(F)F)c1F ZINC000595354929 565467282 /nfs/dbraw/zinc/46/72/82/565467282.db2.gz ZTKVXRGHIKUIHZ-JTQLQIEISA-N 0 1 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O=C(NCCCc1cccc(Br)c1)N[C@H]1CCc2nc[nH]c2C1 ZINC000633693325 566114769 /nfs/dbraw/zinc/11/47/69/566114769.db2.gz DQYZSZRZKQFIHT-AWEZNQCLSA-N 0 1 377.286 2.962 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000656255430 566117169 /nfs/dbraw/zinc/11/71/69/566117169.db2.gz JIZLPXHERXJNEG-QGZVFWFLSA-N 0 1 387.285 2.982 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN(CCO)[C@H]1CCO[C@H]1C ZINC000656261426 566120213 /nfs/dbraw/zinc/12/02/13/566120213.db2.gz AQPLNIXDTYCCNE-KSSFIOAISA-N 0 1 394.313 2.915 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000656275821 566122263 /nfs/dbraw/zinc/12/22/63/566122263.db2.gz MGOAYJPHAUPQPC-VXGBXAGGSA-N 0 1 393.285 2.893 20 0 GFADMN Cc1cc(Br)c(C(=O)NCc2n[nH]c(C3CCOCC3)n2)s1 ZINC000634005026 566137648 /nfs/dbraw/zinc/13/76/48/566137648.db2.gz KLWJUPUZESPAOJ-UHFFFAOYSA-N 0 1 385.287 2.761 20 0 GFADMN CCc1nc([C@@H](C)S(=O)(=O)c2nnc(-c3cccs3)n2C2CC2)n[nH]1 ZINC000656555523 566141162 /nfs/dbraw/zinc/14/11/62/566141162.db2.gz FTPBCEYIWJTMMK-SECBINFHSA-N 0 1 378.483 2.557 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1C)C1CCCCC1 ZINC000656623441 566148739 /nfs/dbraw/zinc/14/87/39/566148739.db2.gz RTBFUDGPJNFNOW-KRWDZBQOSA-N 0 1 389.539 2.736 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cccc(Cl)c2)n[nH]1)[C@@H]1CCOC1 ZINC000656625110 566148818 /nfs/dbraw/zinc/14/88/18/566148818.db2.gz ZOSKWKLVGVTCCH-DOMZBBRYSA-N 0 1 385.873 2.523 20 0 GFADMN Cc1cc(Cc2nnc(N3CCc4cccc(Br)c4C3)n2C)[nH]n1 ZINC000634316909 566153053 /nfs/dbraw/zinc/15/30/53/566153053.db2.gz IBJQTDIQWBFFMR-UHFFFAOYSA-N 0 1 387.285 2.763 20 0 GFADMN CC[C@@](C)(NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(F)(F)F ZINC000656731631 566160346 /nfs/dbraw/zinc/16/03/46/566160346.db2.gz QFVHBLPKSHORRQ-CYBMUJFWSA-N 0 1 384.445 2.662 20 0 GFADMN CCCN(CCCN(C)C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000682587857 566165007 /nfs/dbraw/zinc/16/50/07/566165007.db2.gz VPYZNFNSTYXKPV-UHFFFAOYSA-N 0 1 386.945 2.837 20 0 GFADMN CC(C)[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614235 566166282 /nfs/dbraw/zinc/16/62/82/566166282.db2.gz UPCWVJRFENPTGC-BBRMVZONSA-N 0 1 397.292 2.878 20 0 GFADMN Cc1cc(C(F)(F)F)cc(C)c1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000634665459 566169644 /nfs/dbraw/zinc/16/96/44/566169644.db2.gz KAWGZZLLOSLYIW-UHFFFAOYSA-N 0 1 375.372 2.560 20 0 GFADMN Cn1ncc(Br)c1CNC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000634726288 566172753 /nfs/dbraw/zinc/17/27/53/566172753.db2.gz PNTUCDKKTZBBGE-LLVKDONJSA-N 0 1 392.219 2.895 20 0 GFADMN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ncccc1Br ZINC000656895302 566177572 /nfs/dbraw/zinc/17/75/72/566177572.db2.gz XFXZCKBOWAFXNM-UHFFFAOYSA-N 0 1 378.336 2.635 20 0 GFADMN Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(C)c1Br ZINC000682939580 566177915 /nfs/dbraw/zinc/17/79/15/566177915.db2.gz UKAVYJMXSKMNSS-ZDUSSCGKSA-N 0 1 383.330 2.983 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ncccc1Br)N(C)Cc1ccccc1 ZINC000656898325 566178942 /nfs/dbraw/zinc/17/89/42/566178942.db2.gz MEGLUQQGXJXKNJ-ZDUSSCGKSA-N 0 1 398.326 2.643 20 0 GFADMN C[C@@](CO)(NS(=O)(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000656911343 566180928 /nfs/dbraw/zinc/18/09/28/566180928.db2.gz XZKZCAGYFSNZPL-HNNXBMFYSA-N 0 1 375.368 2.597 20 0 GFADMN CCn1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000683029699 566181482 /nfs/dbraw/zinc/18/14/82/566181482.db2.gz PIVGRLXBZVCBPR-UHFFFAOYSA-N 0 1 375.270 2.910 20 0 GFADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000612985933 566181669 /nfs/dbraw/zinc/18/16/69/566181669.db2.gz GJNCTVNJWCLUFS-SKDRFNHKSA-N 0 1 381.249 2.874 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000635018837 566188183 /nfs/dbraw/zinc/18/81/83/566188183.db2.gz MPNWPNNMANRNGY-GTNSWQLSSA-N 0 1 389.279 2.594 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000635018507 566188456 /nfs/dbraw/zinc/18/84/56/566188456.db2.gz IICIRYCLOJGPEE-QFYYESIMSA-N 0 1 375.252 2.744 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000635018507 566188463 /nfs/dbraw/zinc/18/84/63/566188463.db2.gz IICIRYCLOJGPEE-QFYYESIMSA-N 0 1 375.252 2.744 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000635020783 566189362 /nfs/dbraw/zinc/18/93/62/566189362.db2.gz SCARIBMCDOIIHB-QFYYESIMSA-N 0 1 375.252 2.744 20 0 GFADMN COC1CCN(CCNC(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000683245527 566189522 /nfs/dbraw/zinc/18/95/22/566189522.db2.gz RYYYSOHTYWVGPT-UHFFFAOYSA-N 0 1 377.229 2.568 20 0 GFADMN C[C@H]1CN(CCCNC(=O)c2cc(F)c(Cl)c(N)c2Cl)C[C@H](C)O1 ZINC000635170521 566197866 /nfs/dbraw/zinc/19/78/66/566197866.db2.gz GFHHRCAUQRZLJP-UWVGGRQHSA-N 0 1 378.275 2.944 20 0 GFADMN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635395636 566209947 /nfs/dbraw/zinc/20/99/47/566209947.db2.gz SFLANWILZYDWLJ-DAXOMENPSA-N 0 1 389.297 2.918 20 0 GFADMN O=C1[C@@H](NCc2cnc3ccccn23)CCN1c1cccc(Br)c1 ZINC000683707300 566210386 /nfs/dbraw/zinc/21/03/86/566210386.db2.gz JZHIBBHQVUJYQG-INIZCTEOSA-N 0 1 385.265 2.992 20 0 GFADMN O=S(=O)([N-]CC1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1Cl ZINC000657039671 566211713 /nfs/dbraw/zinc/21/17/13/566211713.db2.gz FPFIYJDBJBRSQZ-UHFFFAOYSA-N 0 1 390.908 2.648 20 0 GFADMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657059770 566214828 /nfs/dbraw/zinc/21/48/28/566214828.db2.gz ADMBDBRZTQBLID-LLVKDONJSA-N 0 1 379.295 2.739 20 0 GFADMN Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cs1 ZINC000684094133 566225594 /nfs/dbraw/zinc/22/55/94/566225594.db2.gz BOMGGVITJLLHSW-SJLPKXTDSA-N 0 1 377.535 2.898 20 0 GFADMN Cc1nc(CS(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)cs1 ZINC000684100206 566226944 /nfs/dbraw/zinc/22/69/44/566226944.db2.gz TWPWKFFJRUCHJK-UHFFFAOYSA-N 0 1 379.551 2.878 20 0 GFADMN CCN1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)C[C@@H]1C ZINC000684131720 566228852 /nfs/dbraw/zinc/22/88/52/566228852.db2.gz TWGQOSPCSVHLFT-LBPRGKRZSA-N 0 1 393.289 2.588 20 0 GFADMN Cc1cc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000684375406 566234555 /nfs/dbraw/zinc/23/45/55/566234555.db2.gz LELBPFRGQRYDCS-ZDUSSCGKSA-N 0 1 376.766 2.923 20 0 GFADMN O=C1NCCN(Cc2[nH]nc3ccccc32)[C@@H]1c1ccc(Br)cc1 ZINC000684429921 566235329 /nfs/dbraw/zinc/23/53/29/566235329.db2.gz QARRCVMPYMCHFV-QGZVFWFLSA-N 0 1 385.265 2.999 20 0 GFADMN O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1ccccc1-c1nn[nH]n1 ZINC000738342134 598867436 /nfs/dbraw/zinc/86/74/36/598867436.db2.gz LXLYZEDTQUGYQN-UHFFFAOYSA-N 0 1 394.416 2.855 20 0 GFADMN CCOC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736607829 598872516 /nfs/dbraw/zinc/87/25/16/598872516.db2.gz BEFUGHKDDXDTAU-ZDUSSCGKSA-N 0 1 392.891 2.597 20 0 GFADMN O=S(=O)(Nc1cccc(Cl)c1O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000738342892 598951143 /nfs/dbraw/zinc/95/11/43/598951143.db2.gz SDXJFLKFBUMDQF-UHFFFAOYSA-N 0 1 386.220 2.680 20 0 GFADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738433702 598964337 /nfs/dbraw/zinc/96/43/37/598964337.db2.gz SITZNJSCXUZJNM-UHFFFAOYSA-N 0 1 378.484 2.512 20 0 GFADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738433702 598964339 /nfs/dbraw/zinc/96/43/39/598964339.db2.gz SITZNJSCXUZJNM-UHFFFAOYSA-N 0 1 378.484 2.512 20 0 GFADMN CN(CCc1nc(-c2ccccc2)no1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736805795 598982250 /nfs/dbraw/zinc/98/22/50/598982250.db2.gz JSUYUSIEVNDXJO-UHFFFAOYSA-N 0 1 379.399 2.730 20 0 GFADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821614872 599081274 /nfs/dbraw/zinc/08/12/74/599081274.db2.gz YDDRGCMKVYTREN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000821614872 599081277 /nfs/dbraw/zinc/08/12/77/599081277.db2.gz YDDRGCMKVYTREN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821614872 599081279 /nfs/dbraw/zinc/08/12/79/599081279.db2.gz YDDRGCMKVYTREN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000821614872 599081282 /nfs/dbraw/zinc/08/12/82/599081282.db2.gz YDDRGCMKVYTREN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821597803 599107819 /nfs/dbraw/zinc/10/78/19/599107819.db2.gz HYWDQIVCDLQNNF-HNNXBMFYSA-N 0 1 383.887 2.873 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821597803 599107821 /nfs/dbraw/zinc/10/78/21/599107821.db2.gz HYWDQIVCDLQNNF-HNNXBMFYSA-N 0 1 383.887 2.873 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821597803 599107824 /nfs/dbraw/zinc/10/78/24/599107824.db2.gz HYWDQIVCDLQNNF-HNNXBMFYSA-N 0 1 383.887 2.873 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821597803 599107826 /nfs/dbraw/zinc/10/78/26/599107826.db2.gz HYWDQIVCDLQNNF-HNNXBMFYSA-N 0 1 383.887 2.873 20 0 GFADMN Cc1ccc([C@@H](C)C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227587 599135449 /nfs/dbraw/zinc/13/54/49/599135449.db2.gz OFMQYUCZIJXWPR-MRXNPFEDSA-N 0 1 394.479 2.606 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676232618 597075214 /nfs/dbraw/zinc/07/52/14/597075214.db2.gz FSCSOLYRIGXJNC-MAUKXSAKSA-N 0 1 390.480 2.554 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000818071778 597120278 /nfs/dbraw/zinc/12/02/78/597120278.db2.gz ZMXXFIVCMIUIJZ-CVEARBPZSA-N 0 1 375.469 2.798 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H](C)O1 ZINC000736293274 599264146 /nfs/dbraw/zinc/26/41/46/599264146.db2.gz SODONJIEUPEQJJ-ZIAGYGMSSA-N 0 1 381.484 2.715 20 0 GFADMN O=C([O-])[C@H]1CC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000583569794 597529734 /nfs/dbraw/zinc/52/97/34/597529734.db2.gz NTPKWYPVWFEDEG-QFBILLFUSA-N 0 1 391.414 2.838 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC2CCC(C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821979687 607325426 /nfs/dbraw/zinc/32/54/26/607325426.db2.gz UXZPOOKCTCAGFI-UHFFFAOYSA-N 0 1 390.513 2.881 20 0 GFADMN c1ccc2c(c1)OC[C@@H](CN1CCC(Oc3cccc(-c4nn[nH]n4)c3)CC1)O2 ZINC000738418413 598262808 /nfs/dbraw/zinc/26/28/08/598262808.db2.gz GVYFKSUFAULKFN-GOSISDBHSA-N 0 1 393.447 2.550 20 0 GFADMN CCCn1c(C)cc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1C ZINC000736501075 598502425 /nfs/dbraw/zinc/50/24/25/598502425.db2.gz WVQCVXHMMKNCIP-UHFFFAOYSA-N 0 1 390.447 2.893 20 0 GFADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc[nH]c2c1 ZINC000737833433 598686139 /nfs/dbraw/zinc/68/61/39/598686139.db2.gz RRGVTTUHZBVRER-UHFFFAOYSA-N 0 1 377.408 2.931 20 0 GFADMN CCCC[C@H]([NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccc(OC)cc1 ZINC000736439189 598698142 /nfs/dbraw/zinc/69/81/42/598698142.db2.gz RYJUEIJTLDSRQK-SFHVURJKSA-N 0 1 392.467 2.939 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403927 598715478 /nfs/dbraw/zinc/71/54/78/598715478.db2.gz ZIILXMOSFZCUOS-HNNXBMFYSA-N 0 1 385.516 2.567 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc2ccccc2c1 ZINC000737982057 598719938 /nfs/dbraw/zinc/71/99/38/598719938.db2.gz MWMBGJIGCZERPP-UHFFFAOYSA-N 0 1 396.410 2.974 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2C)C2CC2)cc1-c1nn[nH]n1 ZINC000737186066 598780094 /nfs/dbraw/zinc/78/00/94/598780094.db2.gz FRFPNUBULMTYGM-HNNXBMFYSA-N 0 1 396.476 2.879 20 0 GFADMN C[NH+](C)CCOc1ccc(CCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000736769390 598797357 /nfs/dbraw/zinc/79/73/57/598797357.db2.gz RDJUNRAUWVWHRN-UHFFFAOYSA-N 0 1 393.904 2.572 20 0 GFADMN C[NH+](C)CCOc1ccc(CCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000736769390 598797358 /nfs/dbraw/zinc/79/73/58/598797358.db2.gz RDJUNRAUWVWHRN-UHFFFAOYSA-N 0 1 393.904 2.572 20 0 GFADMN C[NH+](C)CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736759164 598811777 /nfs/dbraw/zinc/81/17/77/598811777.db2.gz OQTQMZJKQACXSS-UHFFFAOYSA-N 0 1 398.442 2.870 20 0 GFADMN C[NH+](C)CCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736759164 598811779 /nfs/dbraw/zinc/81/17/79/598811779.db2.gz OQTQMZJKQACXSS-UHFFFAOYSA-N 0 1 398.442 2.870 20 0 GFADMN Cc1cccnc1[C@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000737432555 599355447 /nfs/dbraw/zinc/35/54/47/599355447.db2.gz AQYZIIRZHJRBBB-RHSMWYFYSA-N 0 1 379.468 2.884 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419325 599362226 /nfs/dbraw/zinc/36/22/26/599362226.db2.gz GIYZPSUWCWHAQQ-SECBINFHSA-N 0 1 376.342 2.573 20 0 GFADMN C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431835 599371501 /nfs/dbraw/zinc/37/15/01/599371501.db2.gz IPGORFUXHSYTDZ-AUUYWEPGSA-N 0 1 392.463 2.835 20 0 GFADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)N2CCCCC2)cc1 ZINC000821778113 599393242 /nfs/dbraw/zinc/39/32/42/599393242.db2.gz UOIKFSDHZPMVPV-SFHVURJKSA-N 0 1 382.468 2.785 20 0 GFADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCCCC2)cc1 ZINC000821778113 599393244 /nfs/dbraw/zinc/39/32/44/599393244.db2.gz UOIKFSDHZPMVPV-SFHVURJKSA-N 0 1 382.468 2.785 20 0 GFADMN CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)o2)CC1)c1ccccc1 ZINC000820841703 599421745 /nfs/dbraw/zinc/42/17/45/599421745.db2.gz BZMFQEHDRRPCDH-GOSISDBHSA-N 0 1 394.479 2.734 20 0 GFADMN CC(C)COc1ccccc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735845195 599485901 /nfs/dbraw/zinc/48/59/01/599485901.db2.gz SEOCQWVWZLFTQG-UHFFFAOYSA-N 0 1 377.452 2.839 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)cc1-c1nn[nH]n1 ZINC000821970408 599489090 /nfs/dbraw/zinc/48/90/90/599489090.db2.gz NJRZJENTVTZNOQ-LBPRGKRZSA-N 0 1 398.492 2.667 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccccc1OC1CCC1 ZINC000738436098 599491766 /nfs/dbraw/zinc/49/17/66/599491766.db2.gz PFZZFEQRKVCNML-UHFFFAOYSA-N 0 1 375.436 2.736 20 0 GFADMN COc1ccccc1[C@H](C)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821882447 599526390 /nfs/dbraw/zinc/52/63/90/599526390.db2.gz AYDBLGIDGNQQAP-AWEZNQCLSA-N 0 1 382.443 2.898 20 0 GFADMN CC(C)N1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000735882422 599563991 /nfs/dbraw/zinc/56/39/91/599563991.db2.gz QMEASBLRDHJSES-UHFFFAOYSA-N 0 1 391.479 2.777 20 0 GFADMN Cc1ccc2nc(CNC(=O)N[C@H](C)c3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822270936 599670606 /nfs/dbraw/zinc/67/06/06/599670606.db2.gz DYMUTJSHICIWSC-GFCCVEGCSA-N 0 1 376.424 2.612 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000736213437 599718878 /nfs/dbraw/zinc/71/88/78/599718878.db2.gz CVFUCLYQGGDBMS-YWZLYKJASA-N 0 1 382.460 2.635 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000736213437 599718879 /nfs/dbraw/zinc/71/88/79/599718879.db2.gz CVFUCLYQGGDBMS-YWZLYKJASA-N 0 1 382.460 2.635 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000273798998 599722072 /nfs/dbraw/zinc/72/20/72/599722072.db2.gz WTSUTCGYIDRVHQ-HNNXBMFYSA-N 0 1 394.880 2.591 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000273798998 599722073 /nfs/dbraw/zinc/72/20/73/599722073.db2.gz WTSUTCGYIDRVHQ-HNNXBMFYSA-N 0 1 394.880 2.591 20 0 GFADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000737030535 599723642 /nfs/dbraw/zinc/72/36/42/599723642.db2.gz SUPHVOSRIUFJGF-UHFFFAOYSA-N 0 1 399.447 2.609 20 0 GFADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000737030535 599723644 /nfs/dbraw/zinc/72/36/44/599723644.db2.gz SUPHVOSRIUFJGF-UHFFFAOYSA-N 0 1 399.447 2.609 20 0 GFADMN Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738767758 599753616 /nfs/dbraw/zinc/75/36/16/599753616.db2.gz HDIKIRLLRZVQLP-TZIWHRDSSA-N 0 1 378.472 2.822 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000737866573 599815115 /nfs/dbraw/zinc/81/51/15/599815115.db2.gz NBBJKKCZOXHMKC-AEFFLSMTSA-N 0 1 389.423 2.762 20 0 GFADMN CCOc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1OCC(=O)[O-] ZINC000737185751 599904946 /nfs/dbraw/zinc/90/49/46/599904946.db2.gz KVUFEONEORGKSK-LSDHHAIUSA-N 0 1 378.469 2.541 20 0 GFADMN C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737454160 599927398 /nfs/dbraw/zinc/92/73/98/599927398.db2.gz ATJZFNPMCINWNJ-HNNXBMFYSA-N 0 1 381.219 2.587 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931193 599934851 /nfs/dbraw/zinc/93/48/51/599934851.db2.gz CNZMNYKNGFUQND-BUXKBTBVSA-N 0 1 393.871 2.640 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931193 599934853 /nfs/dbraw/zinc/93/48/53/599934853.db2.gz CNZMNYKNGFUQND-BUXKBTBVSA-N 0 1 393.871 2.640 20 0 GFADMN O=C([O-])CC[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000739659157 599952195 /nfs/dbraw/zinc/95/21/95/599952195.db2.gz IWJVYEGDESOWNT-NRFANRHFSA-N 0 1 395.503 2.527 20 0 GFADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000737448585 599967898 /nfs/dbraw/zinc/96/78/98/599967898.db2.gz DTQWCZBVVANUJU-GOSISDBHSA-N 0 1 390.505 2.830 20 0 GFADMN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000738909255 599974851 /nfs/dbraw/zinc/97/48/51/599974851.db2.gz PNKRXMHCSOODHW-YJBOKZPZSA-N 0 1 384.480 2.577 20 0 GFADMN CCC(CC)[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC000736895314 600015253 /nfs/dbraw/zinc/01/52/53/600015253.db2.gz OPSDVSIRLREZIK-IBGZPJMESA-N 0 1 389.496 2.547 20 0 GFADMN COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000737987002 600046082 /nfs/dbraw/zinc/04/60/82/600046082.db2.gz PGLLWSYWTFLQNQ-RTWAWAEBSA-N 0 1 394.471 2.870 20 0 GFADMN C[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(F)c1 ZINC000737394351 600046314 /nfs/dbraw/zinc/04/63/14/600046314.db2.gz WDWZAJIQFZGJAL-IBGZPJMESA-N 0 1 383.423 2.551 20 0 GFADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccc(F)c1 ZINC000737394351 600046317 /nfs/dbraw/zinc/04/63/17/600046317.db2.gz WDWZAJIQFZGJAL-IBGZPJMESA-N 0 1 383.423 2.551 20 0 GFADMN Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410982 600047877 /nfs/dbraw/zinc/04/78/77/600047877.db2.gz LYCIFTXFGKRFDA-QAPCUYQASA-N 0 1 395.459 2.583 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000739622395 600050351 /nfs/dbraw/zinc/05/03/51/600050351.db2.gz JRHIHOTYRJPUKF-HXUWFJFHSA-N 0 1 382.435 2.828 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000739622395 600050354 /nfs/dbraw/zinc/05/03/54/600050354.db2.gz JRHIHOTYRJPUKF-HXUWFJFHSA-N 0 1 382.435 2.828 20 0 GFADMN Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000738844419 600111635 /nfs/dbraw/zinc/11/16/35/600111635.db2.gz LWNHOWXMUHNGSP-CXAGYDPISA-N 0 1 387.505 2.791 20 0 GFADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000738844419 600111637 /nfs/dbraw/zinc/11/16/37/600111637.db2.gz LWNHOWXMUHNGSP-CXAGYDPISA-N 0 1 387.505 2.791 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000738459597 600120169 /nfs/dbraw/zinc/12/01/69/600120169.db2.gz IRTIBWUEZUKMMK-UHFFFAOYSA-N 0 1 381.432 2.674 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000739290708 600139723 /nfs/dbraw/zinc/13/97/23/600139723.db2.gz YNXUACVAWOGHLS-GOSISDBHSA-N 0 1 397.500 2.790 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000739290708 600139725 /nfs/dbraw/zinc/13/97/25/600139725.db2.gz YNXUACVAWOGHLS-GOSISDBHSA-N 0 1 397.500 2.790 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000739583542 600141297 /nfs/dbraw/zinc/14/12/97/600141297.db2.gz QCSMGBMTCMZSGR-HIFRSBDPSA-N 0 1 387.461 2.815 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000739583542 600141299 /nfs/dbraw/zinc/14/12/99/600141299.db2.gz QCSMGBMTCMZSGR-HIFRSBDPSA-N 0 1 387.461 2.815 20 0 GFADMN C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C(=O)[O-])o4)CC3)cc2NC1=O ZINC000736833535 600141857 /nfs/dbraw/zinc/14/18/57/600141857.db2.gz FUGKTDCKOHIEAG-GFCCVEGCSA-N 0 1 398.415 2.792 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736754736 600164545 /nfs/dbraw/zinc/16/45/45/600164545.db2.gz FIJONAOHIMPVTN-IYBDPMFKSA-N 0 1 382.526 2.562 20 0 GFADMN COc1ccc(CNc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)cc1C(=O)[O-] ZINC000737910228 600180117 /nfs/dbraw/zinc/18/01/17/600180117.db2.gz WUVDKAISLXPWKK-UHFFFAOYSA-N 0 1 384.392 2.548 20 0 GFADMN C[C@H](CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000736596176 600205924 /nfs/dbraw/zinc/20/59/24/600205924.db2.gz SMWBUPHJVAWLMB-MRXNPFEDSA-N 0 1 379.460 2.976 20 0 GFADMN CCOCC[N@H+]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@H]1C ZINC000578893610 600213808 /nfs/dbraw/zinc/21/38/08/600213808.db2.gz GHAVMUZFEVIFRP-LLVKDONJSA-N 0 1 378.498 2.553 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000739285116 600216078 /nfs/dbraw/zinc/21/60/78/600216078.db2.gz BCPUGLGPURMRQM-ZWKOTPCHSA-N 0 1 381.432 2.710 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000739285116 600216081 /nfs/dbraw/zinc/21/60/81/600216081.db2.gz BCPUGLGPURMRQM-ZWKOTPCHSA-N 0 1 381.432 2.710 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000576591371 600229145 /nfs/dbraw/zinc/22/91/45/600229145.db2.gz JQWIBWOKLOHUCC-RTBURBONSA-N 0 1 391.414 2.981 20 0 GFADMN O=C([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000740224833 600233406 /nfs/dbraw/zinc/23/34/06/600233406.db2.gz CCDPWWYCRIMREU-LJQANCHMSA-N 0 1 394.537 2.849 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000739622252 600274061 /nfs/dbraw/zinc/27/40/61/600274061.db2.gz CUOBZCJSUXTZDJ-LAUBAEHRSA-N 0 1 396.462 2.728 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000738855924 600279607 /nfs/dbraw/zinc/27/96/07/600279607.db2.gz ZCQWCBJOXUUCNO-QGZVFWFLSA-N 0 1 385.489 2.879 20 0 GFADMN Cc1cc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1Br ZINC000405279450 600288330 /nfs/dbraw/zinc/28/83/30/600288330.db2.gz ALLKGKSLAYKXPV-ZDUSSCGKSA-N 0 1 381.270 2.883 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000248899994 600309785 /nfs/dbraw/zinc/30/97/85/600309785.db2.gz WQJNLZAIHKPMFQ-JKSUJKDBSA-N 0 1 380.510 2.660 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000184968040 600310222 /nfs/dbraw/zinc/31/02/22/600310222.db2.gz HLNHBMWNDNFATM-GJZGRUSLSA-N 0 1 398.500 2.799 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736788871 600311595 /nfs/dbraw/zinc/31/15/95/600311595.db2.gz HHRZYJVHNSFTPG-KBPBESRZSA-N 0 1 386.539 2.721 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+]([C@@H]1CC(=O)N(c3ccccc3C(F)(F)F)C1=O)CC2 ZINC000739533279 600315973 /nfs/dbraw/zinc/31/59/73/600315973.db2.gz VMDMQXAUHQIONA-GXTWGEPZSA-N 0 1 396.365 2.524 20 0 GFADMN Cc1cccc(CNC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738707673 600327931 /nfs/dbraw/zinc/32/79/31/600327931.db2.gz BSFXRPKUBHGXQH-UHFFFAOYSA-N 0 1 376.403 2.866 20 0 GFADMN Cc1cccc(CNC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738707673 600327933 /nfs/dbraw/zinc/32/79/33/600327933.db2.gz BSFXRPKUBHGXQH-UHFFFAOYSA-N 0 1 376.403 2.866 20 0 GFADMN O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000739527205 600349946 /nfs/dbraw/zinc/34/99/46/600349946.db2.gz RPHRZYLKELWDGF-MOPGFXCFSA-N 0 1 385.508 2.795 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000738532792 600356117 /nfs/dbraw/zinc/35/61/17/600356117.db2.gz KELLEHFZVBAWOJ-LJQANCHMSA-N 0 1 383.448 2.576 20 0 GFADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736573426 600361146 /nfs/dbraw/zinc/36/11/46/600361146.db2.gz VIYIMFPDMNWKJT-QWHCGFSZSA-N 0 1 389.477 2.980 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000263106646 600368589 /nfs/dbraw/zinc/36/85/89/600368589.db2.gz BJQITHTUQKMPPR-NEPJUHHUSA-N 0 1 377.466 2.798 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000263106651 600368794 /nfs/dbraw/zinc/36/87/94/600368794.db2.gz BJQITHTUQKMPPR-RYUDHWBXSA-N 0 1 377.466 2.798 20 0 GFADMN Cc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000738856667 600407360 /nfs/dbraw/zinc/40/73/60/600407360.db2.gz AHKNZCSDFNTFSJ-WBVHZDCISA-N 0 1 378.860 2.754 20 0 GFADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737441935 600455372 /nfs/dbraw/zinc/45/53/72/600455372.db2.gz RGDMBUHECBUNKS-UHFFFAOYSA-N 0 1 382.464 2.671 20 0 GFADMN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737521207 600464172 /nfs/dbraw/zinc/46/41/72/600464172.db2.gz NOXFFNOSKGNURW-KBPBESRZSA-N 0 1 394.518 2.847 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000736762959 600475692 /nfs/dbraw/zinc/47/56/92/600475692.db2.gz UEMWJOQQVJPGRB-GASCZTMLSA-N 0 1 392.475 2.546 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000738530076 600541698 /nfs/dbraw/zinc/54/16/98/600541698.db2.gz CIVATQZFTYYIET-HNNXBMFYSA-N 0 1 389.496 2.506 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000738530076 600541700 /nfs/dbraw/zinc/54/17/00/600541700.db2.gz CIVATQZFTYYIET-HNNXBMFYSA-N 0 1 389.496 2.506 20 0 GFADMN CC[N@H+]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000737116414 600554171 /nfs/dbraw/zinc/55/41/71/600554171.db2.gz VQNRTBHEHYLIMA-CYBMUJFWSA-N 0 1 379.526 2.537 20 0 GFADMN CC(C)[N@@H+](CCC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000736469052 600610161 /nfs/dbraw/zinc/61/01/61/600610161.db2.gz WCULZDNBTQGFPI-OAQYLSRUSA-N 0 1 383.448 2.749 20 0 GFADMN COC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000831418984 600653053 /nfs/dbraw/zinc/65/30/53/600653053.db2.gz OIGMBPSOICTPHO-CHWSQXEVSA-N 0 1 377.441 2.556 20 0 GFADMN CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)C1 ZINC000737114127 600680617 /nfs/dbraw/zinc/68/06/17/600680617.db2.gz GUMADTMQUADQGP-SFHVURJKSA-N 0 1 398.507 2.720 20 0 GFADMN C[C@@H](CNc1cc(C(=O)[O-])nc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000736606277 600686365 /nfs/dbraw/zinc/68/63/65/600686365.db2.gz DAIGGWDGOINLGR-NSHDSACASA-N 0 1 394.269 2.828 20 0 GFADMN Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1C(=O)[O-] ZINC000285133990 600691609 /nfs/dbraw/zinc/69/16/09/600691609.db2.gz QUCBNRQBUVWVDS-INIZCTEOSA-N 0 1 394.518 2.870 20 0 GFADMN C[C@H]1C[N@@H+](Cn2ncc3cc(C(=O)[O-])ccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736815703 600705519 /nfs/dbraw/zinc/70/55/19/600705519.db2.gz WRDCUNWIRMPFRU-BBRMVZONSA-N 0 1 388.468 2.927 20 0 GFADMN COc1ccccc1-c1nn(C[N@H+](CCC(=O)[O-])C2CCOCC2)c(=S)o1 ZINC000832583767 600720395 /nfs/dbraw/zinc/72/03/95/600720395.db2.gz YYOYTOCOIYFWRZ-UHFFFAOYSA-N 0 1 393.465 2.794 20 0 GFADMN COc1ccccc1-c1nn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(=S)o1 ZINC000832583767 600720396 /nfs/dbraw/zinc/72/03/96/600720396.db2.gz YYOYTOCOIYFWRZ-UHFFFAOYSA-N 0 1 393.465 2.794 20 0 GFADMN Cc1ccc(-c2nn(C[N@H+](CCC(=O)[O-])C3CCOCC3)c(=S)n2C)cc1 ZINC000832909001 600720456 /nfs/dbraw/zinc/72/04/56/600720456.db2.gz TVTOHNRPZWVDLQ-UHFFFAOYSA-N 0 1 390.509 2.840 20 0 GFADMN Cc1ccc(-c2nn(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c(=S)n2C)cc1 ZINC000832909001 600720457 /nfs/dbraw/zinc/72/04/57/600720457.db2.gz TVTOHNRPZWVDLQ-UHFFFAOYSA-N 0 1 390.509 2.840 20 0 GFADMN O=C([O-])NCc1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000833280871 600723524 /nfs/dbraw/zinc/72/35/24/600723524.db2.gz CEJOGYOXHRDQMY-LJQANCHMSA-N 0 1 383.448 2.684 20 0 GFADMN O=C([O-])NCc1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000833280871 600723525 /nfs/dbraw/zinc/72/35/25/600723525.db2.gz CEJOGYOXHRDQMY-LJQANCHMSA-N 0 1 383.448 2.684 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000379601777 600726689 /nfs/dbraw/zinc/72/66/89/600726689.db2.gz BZHSDZYRCOFWGF-OAHLLOKOSA-N 0 1 394.518 2.779 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000379601777 600726691 /nfs/dbraw/zinc/72/66/91/600726691.db2.gz BZHSDZYRCOFWGF-OAHLLOKOSA-N 0 1 394.518 2.779 20 0 GFADMN CCn1cc(C2CC[NH+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cn1 ZINC000830419914 600794474 /nfs/dbraw/zinc/79/44/74/600794474.db2.gz HNJPOVALERAAGB-INIZCTEOSA-N 0 1 388.493 2.648 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831256778 600799727 /nfs/dbraw/zinc/79/97/27/600799727.db2.gz AHGFGULYPFRWBJ-KBPBESRZSA-N 0 1 376.453 2.866 20 0 GFADMN C[C@@H]1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000828286485 600813201 /nfs/dbraw/zinc/81/32/01/600813201.db2.gz VCIMTQTZHMJHIJ-CQSZACIVSA-N 0 1 388.493 2.899 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)[O-])CC1 ZINC000818224379 600815389 /nfs/dbraw/zinc/81/53/89/600815389.db2.gz DGYKAKMTHXVXSI-NSHDSACASA-N 0 1 382.482 2.611 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000833355050 600822796 /nfs/dbraw/zinc/82/27/96/600822796.db2.gz REJOPLFLNCZURL-KRWDZBQOSA-N 0 1 388.851 2.980 20 0 GFADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)oc1C ZINC000833001167 600839507 /nfs/dbraw/zinc/83/95/07/600839507.db2.gz QDUMVGZOWNNEOE-IAGOWNOFSA-N 0 1 377.485 2.511 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(Cl)c1 ZINC000833321174 600849329 /nfs/dbraw/zinc/84/93/29/600849329.db2.gz KUQRELXJJGQEIO-MRXNPFEDSA-N 0 1 382.888 2.604 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2CN2CCOCC2)c(Cl)c1 ZINC000833321173 600849339 /nfs/dbraw/zinc/84/93/39/600849339.db2.gz KUQRELXJJGQEIO-INIZCTEOSA-N 0 1 382.888 2.604 20 0 GFADMN CCc1[nH]c(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000737240952 600864245 /nfs/dbraw/zinc/86/42/45/600864245.db2.gz LGHVKAHVMDPLCQ-HNNXBMFYSA-N 0 1 398.507 2.524 20 0 GFADMN Cc1sc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C(=O)[O-])c1C ZINC000833034666 600870067 /nfs/dbraw/zinc/87/00/67/600870067.db2.gz ISPXQBCSFNZNFS-LBPRGKRZSA-N 0 1 395.525 2.772 20 0 GFADMN CS[C@@H]1CCCCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000826227204 607475681 /nfs/dbraw/zinc/47/56/81/607475681.db2.gz NPEIXPHKELRLPS-GFCCVEGCSA-N 0 1 380.905 2.676 20 0 GFADMN CS[C@H]1CCCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000826227075 607475692 /nfs/dbraw/zinc/47/56/92/607475692.db2.gz LFJXLIOWOXTBIZ-LBPRGKRZSA-N 0 1 380.905 2.676 20 0 GFADMN C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659759297 600961111 /nfs/dbraw/zinc/96/11/11/600961111.db2.gz DFDAZVCXACJZDJ-QGZVFWFLSA-N 0 1 382.460 2.887 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000248570189 600986063 /nfs/dbraw/zinc/98/60/63/600986063.db2.gz ROLGTMICZYPIRK-BPUTZDHNSA-N 0 1 387.505 2.673 20 0 GFADMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000832941188 601008065 /nfs/dbraw/zinc/00/80/65/601008065.db2.gz GYLVHYMFUQNATM-QGZVFWFLSA-N 0 1 383.448 2.818 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000565595778 601048665 /nfs/dbraw/zinc/04/86/65/601048665.db2.gz FKSWGGRFQNRLIF-UHFFFAOYSA-N 0 1 384.860 2.551 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)CC2)cs1 ZINC000738348187 601079776 /nfs/dbraw/zinc/07/97/76/601079776.db2.gz GDEKHRQHFNWTQV-GOSISDBHSA-N 0 1 387.505 2.648 20 0 GFADMN CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC000736930697 601089893 /nfs/dbraw/zinc/08/98/93/601089893.db2.gz YFNJAWSYULUWKW-QRWLVFNGSA-N 0 1 375.469 2.523 20 0 GFADMN CC[C@@]1(C(C)C)NC(=O)N(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC000736930697 601089897 /nfs/dbraw/zinc/08/98/97/601089897.db2.gz YFNJAWSYULUWKW-QRWLVFNGSA-N 0 1 375.469 2.523 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000630226749 601092664 /nfs/dbraw/zinc/09/26/64/601092664.db2.gz ZIGGNNIOFDGKKR-AWEZNQCLSA-N 0 1 390.411 2.619 20 0 GFADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000832939969 601162707 /nfs/dbraw/zinc/16/27/07/601162707.db2.gz HIEZTEIUYKWTRP-CRAIPNDOSA-N 0 1 395.459 2.583 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659755849 601172749 /nfs/dbraw/zinc/17/27/49/601172749.db2.gz IICVLVIDRWPSDH-VQIMIIECSA-N 0 1 382.460 2.933 20 0 GFADMN COc1cc2nc(C[NH2+][C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])[nH]c(=O)c2cc1OC ZINC000832111634 601201804 /nfs/dbraw/zinc/20/18/04/601201804.db2.gz HMDKWQPGIWXBSN-CWTRNNRKSA-N 0 1 397.431 2.904 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000828176859 601213465 /nfs/dbraw/zinc/21/34/65/601213465.db2.gz LUZQULOFBIVXBX-NEWSRXKRSA-N 0 1 385.508 2.936 20 0 GFADMN C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000237502050 601218646 /nfs/dbraw/zinc/21/86/46/601218646.db2.gz RPUDIFOFXWFUCA-JTQLQIEISA-N 0 1 395.308 2.702 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000829612874 601225817 /nfs/dbraw/zinc/22/58/17/601225817.db2.gz CQOCIAVHTIJBSP-FMIVXFBMSA-N 0 1 388.489 2.715 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)[NH+](C)C)cc1 ZINC000832923524 601228827 /nfs/dbraw/zinc/22/88/27/601228827.db2.gz OFKQCMVVEVLOQM-CWRQFWGNSA-N 0 1 388.489 2.674 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000398127693 601265256 /nfs/dbraw/zinc/26/52/56/601265256.db2.gz RWXNCAODKCCSDN-KXBFYZLASA-N 0 1 388.489 2.574 20 0 GFADMN O=C([O-])CSCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000833262996 601304329 /nfs/dbraw/zinc/30/43/29/601304329.db2.gz YUZVEMHSMYNDRD-HXUWFJFHSA-N 0 1 391.537 2.502 20 0 GFADMN CN(CC(=O)N(C)c1ccccc1C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830478734 601306370 /nfs/dbraw/zinc/30/63/70/601306370.db2.gz WAWRVALNUPKWJM-LJQANCHMSA-N 0 1 395.503 2.944 20 0 GFADMN Cc1cc(N2CCC(NC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000832889417 601338286 /nfs/dbraw/zinc/33/82/86/601338286.db2.gz NAXVAFCTOGLPSX-UHFFFAOYSA-N 0 1 397.479 2.602 20 0 GFADMN O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833104481 601355402 /nfs/dbraw/zinc/35/54/02/601355402.db2.gz BSRHAGLLOAGART-IBGZPJMESA-N 0 1 378.494 2.766 20 0 GFADMN O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833104481 601355404 /nfs/dbraw/zinc/35/54/04/601355404.db2.gz BSRHAGLLOAGART-IBGZPJMESA-N 0 1 378.494 2.766 20 0 GFADMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829161278 601359862 /nfs/dbraw/zinc/35/98/62/601359862.db2.gz MWGJSUBPWJAHCA-HOTGVXAUSA-N 0 1 375.469 2.552 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])oc3CC)C2)o1 ZINC000830290449 601422233 /nfs/dbraw/zinc/42/22/33/601422233.db2.gz QPWMSKFQYRXFOL-OAHLLOKOSA-N 0 1 389.452 2.714 20 0 GFADMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000831583830 601488880 /nfs/dbraw/zinc/48/88/80/601488880.db2.gz AAFJQUGGIJNWEH-LJQANCHMSA-N 0 1 386.408 2.669 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828433594 601541791 /nfs/dbraw/zinc/54/17/91/601541791.db2.gz WJMDOXOJOSIBFW-CFLQYTFWSA-N 0 1 384.501 2.875 20 0 GFADMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000578541082 601547814 /nfs/dbraw/zinc/54/78/14/601547814.db2.gz XKVQUNVUPPAEGN-SFHVURJKSA-N 0 1 377.437 2.674 20 0 GFADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000578541082 601547816 /nfs/dbraw/zinc/54/78/16/601547816.db2.gz XKVQUNVUPPAEGN-SFHVURJKSA-N 0 1 377.437 2.674 20 0 GFADMN O=C([O-])C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000833219639 601572678 /nfs/dbraw/zinc/57/26/78/601572678.db2.gz BHWXZXYHMFFOQR-QGZVFWFLSA-N 0 1 384.432 2.983 20 0 GFADMN O=C([O-])C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000833219639 601572681 /nfs/dbraw/zinc/57/26/81/601572681.db2.gz BHWXZXYHMFFOQR-QGZVFWFLSA-N 0 1 384.432 2.983 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C[C@@H]1C ZINC000829754296 601587384 /nfs/dbraw/zinc/58/73/84/601587384.db2.gz VPTCQRLYXMPEPQ-JSGCOSHPSA-N 0 1 379.457 2.739 20 0 GFADMN CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C1 ZINC000828424236 601685716 /nfs/dbraw/zinc/68/57/16/601685716.db2.gz OMFRDPAMDGWSEZ-IUODEOHRSA-N 0 1 390.871 2.725 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(NC(=O)[O-])c3)C2)cc(OC)c1 ZINC000831995318 601691022 /nfs/dbraw/zinc/69/10/22/601691022.db2.gz GFHAKWLMXFCXLR-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cccc(NC(=O)[O-])c3)C2)cc(OC)c1 ZINC000831995318 601691024 /nfs/dbraw/zinc/69/10/24/601691024.db2.gz GFHAKWLMXFCXLR-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC000828319388 601713814 /nfs/dbraw/zinc/71/38/14/601713814.db2.gz UGSZEFSQJUOAJD-XUWXXGDYSA-N 0 1 384.398 2.620 20 0 GFADMN CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])[C@@H](C)C1 ZINC000828422081 601767719 /nfs/dbraw/zinc/76/77/19/601767719.db2.gz HSHYXGIPKYNXRQ-AAEUAGOBSA-N 0 1 395.525 2.527 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2ccc(F)c(F)c2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128951 601777971 /nfs/dbraw/zinc/77/79/71/601777971.db2.gz PRYFKIGYBATRIK-HXUWFJFHSA-N 0 1 392.377 2.953 20 0 GFADMN C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000185128957 601836452 /nfs/dbraw/zinc/83/64/52/601836452.db2.gz WQTSBKZLKWDMLW-UHFFFAOYSA-N 0 1 382.869 2.795 20 0 GFADMN C[C@@H](CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000738899545 601851896 /nfs/dbraw/zinc/85/18/96/601851896.db2.gz ONQSKGCFAZEWRR-GUYCJALGSA-N 0 1 387.402 2.603 20 0 GFADMN O=C([O-])N[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000740687850 601887258 /nfs/dbraw/zinc/88/72/58/601887258.db2.gz WIYANQTVKRVWIH-LJQANCHMSA-N 0 1 383.448 2.509 20 0 GFADMN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000828028832 601890390 /nfs/dbraw/zinc/89/03/90/601890390.db2.gz DVOSAHRSGKXMGV-SFTDATJTSA-N 0 1 387.480 2.505 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000828020429 601917736 /nfs/dbraw/zinc/91/77/36/601917736.db2.gz PYHVWPVZLBZANT-KUHUBIRLSA-N 0 1 387.461 2.815 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000678933664 601927034 /nfs/dbraw/zinc/92/70/34/601927034.db2.gz UIELKINCOYUIKQ-IYBDPMFKSA-N 0 1 382.460 2.924 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000678933664 601927037 /nfs/dbraw/zinc/92/70/37/601927037.db2.gz UIELKINCOYUIKQ-IYBDPMFKSA-N 0 1 382.460 2.924 20 0 GFADMN NS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000833088317 601971084 /nfs/dbraw/zinc/97/10/84/601971084.db2.gz JCYDKIXVBWNPJV-GFCCVEGCSA-N 0 1 395.289 2.618 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000829919152 602058359 /nfs/dbraw/zinc/05/83/59/602058359.db2.gz WSIHNLPWIUSJJO-IAGOWNOFSA-N 0 1 375.469 2.672 20 0 GFADMN CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000829781539 602064483 /nfs/dbraw/zinc/06/44/83/602064483.db2.gz ZREXWVABHUMKGQ-IBGZPJMESA-N 0 1 384.432 2.623 20 0 GFADMN CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000829781539 602064486 /nfs/dbraw/zinc/06/44/86/602064486.db2.gz ZREXWVABHUMKGQ-IBGZPJMESA-N 0 1 384.432 2.623 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738833381 602079730 /nfs/dbraw/zinc/07/97/30/602079730.db2.gz FWYYHOAAOBCPKP-SFHVURJKSA-N 0 1 376.501 2.811 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739237339 602123013 /nfs/dbraw/zinc/12/30/13/602123013.db2.gz LIFCLJHKJKCHMG-YIOZNXECSA-N 0 1 391.512 2.594 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828257726 602145530 /nfs/dbraw/zinc/14/55/30/602145530.db2.gz JKRUSVBCLYSZHZ-AEFFLSMTSA-N 0 1 380.533 2.815 20 0 GFADMN O=C([O-])CCCNC(=S)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000833228631 602153232 /nfs/dbraw/zinc/15/32/32/602153232.db2.gz ZNLFRKMHDWBUNJ-ROUUACIJSA-N 0 1 375.538 2.712 20 0 GFADMN Cn1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C(=O)[O-] ZINC000833052273 602364680 /nfs/dbraw/zinc/36/46/80/602364680.db2.gz XCBQPRXECGMLIM-ZDUSSCGKSA-N 0 1 376.482 2.819 20 0 GFADMN O=C([O-])c1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000833144911 602369524 /nfs/dbraw/zinc/36/95/24/602369524.db2.gz UWWPYSVOVIAYMP-UHFFFAOYSA-N 0 1 387.411 2.678 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829765507 602373863 /nfs/dbraw/zinc/37/38/63/602373863.db2.gz XDQUMMXKMGPOBX-QGZVFWFLSA-N 0 1 385.468 2.637 20 0 GFADMN CCN1CC[NH+](Cc2ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc2)CC1 ZINC000739456275 602393551 /nfs/dbraw/zinc/39/35/51/602393551.db2.gz IFZDODIYTWUANL-UHFFFAOYSA-N 0 1 376.501 2.541 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CSCN3C(=O)[O-])cc2)C1 ZINC000739101258 602396205 /nfs/dbraw/zinc/39/62/05/602396205.db2.gz BGSRQGKZQWFEMY-RHSMWYFYSA-N 0 1 377.510 2.588 20 0 GFADMN O=C([O-])N1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740435707 602418521 /nfs/dbraw/zinc/41/85/21/602418521.db2.gz YGMUMFWESYBOMC-NVXWUHKLSA-N 0 1 377.460 2.544 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000740510035 602452250 /nfs/dbraw/zinc/45/22/50/602452250.db2.gz DPWJEZZMFXVBKD-HNNXBMFYSA-N 0 1 379.888 2.878 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000737949758 602561949 /nfs/dbraw/zinc/56/19/49/602561949.db2.gz GCSVKZDXGFOORD-INIZCTEOSA-N 0 1 382.892 2.727 20 0 GFADMN C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])cc2)CC1 ZINC000739731283 602568257 /nfs/dbraw/zinc/56/82/57/602568257.db2.gz NCDKFNUBDUGCAY-HXUWFJFHSA-N 0 1 396.491 2.646 20 0 GFADMN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000739105195 602615256 /nfs/dbraw/zinc/61/52/56/602615256.db2.gz NNSXVYHORURILO-HZPDHXFCSA-N 0 1 376.501 2.859 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000739080690 602699147 /nfs/dbraw/zinc/69/91/47/602699147.db2.gz OCFIXHLQNNSWAU-BBWFWOEESA-N 0 1 382.549 2.822 20 0 GFADMN CC(C)(CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738749405 602700621 /nfs/dbraw/zinc/70/06/21/602700621.db2.gz DCPUVZPXKZHWOJ-INIZCTEOSA-N 0 1 388.512 2.513 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739171419 602771694 /nfs/dbraw/zinc/77/16/94/602771694.db2.gz IEPYZKOZAOJZRM-IDHHARJASA-N 0 1 387.505 2.932 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739171419 602771695 /nfs/dbraw/zinc/77/16/95/602771695.db2.gz IEPYZKOZAOJZRM-IDHHARJASA-N 0 1 387.505 2.932 20 0 GFADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620793 602819634 /nfs/dbraw/zinc/81/96/34/602819634.db2.gz YCXCXEURXWVNOG-QGZVFWFLSA-N 0 1 381.476 2.966 20 0 GFADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620793 602819638 /nfs/dbraw/zinc/81/96/38/602819638.db2.gz YCXCXEURXWVNOG-QGZVFWFLSA-N 0 1 381.476 2.966 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739188851 602832895 /nfs/dbraw/zinc/83/28/95/602832895.db2.gz KVVDNDBKFIXASV-IEBWSBKVSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739063097 602872580 /nfs/dbraw/zinc/87/25/80/602872580.db2.gz KWLFQSMDBOUQIP-ZDUSSCGKSA-N 0 1 381.427 2.720 20 0 GFADMN C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739063097 602872583 /nfs/dbraw/zinc/87/25/83/602872583.db2.gz KWLFQSMDBOUQIP-ZDUSSCGKSA-N 0 1 381.427 2.720 20 0 GFADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000739974623 602897235 /nfs/dbraw/zinc/89/72/35/602897235.db2.gz HNCHHCOYJWQFOA-PBHICJAKSA-N 0 1 377.485 2.631 20 0 GFADMN CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)NC(=O)[O-] ZINC000738782437 602942141 /nfs/dbraw/zinc/94/21/41/602942141.db2.gz FMYMCCCEWZTATP-SJLPKXTDSA-N 0 1 376.501 2.585 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H](C)N1C(=O)[O-] ZINC000739149204 602949552 /nfs/dbraw/zinc/94/95/52/602949552.db2.gz ZSALURXNSQIEOX-GASCZTMLSA-N 0 1 392.525 2.840 20 0 GFADMN O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000740694792 602971922 /nfs/dbraw/zinc/97/19/22/602971922.db2.gz JLWXFGXJXKSVAW-HNNXBMFYSA-N 0 1 383.448 2.724 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])C1 ZINC000739104730 603041837 /nfs/dbraw/zinc/04/18/37/603041837.db2.gz ISEFDQUGZGDSAU-KZNAEPCWSA-N 0 1 380.533 2.815 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563602 603236027 /nfs/dbraw/zinc/23/60/27/603236027.db2.gz KKXQIZJVOSTSBA-SJLPKXTDSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563602 603236031 /nfs/dbraw/zinc/23/60/31/603236031.db2.gz KKXQIZJVOSTSBA-SJLPKXTDSA-N 0 1 377.460 2.686 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739453179 603264511 /nfs/dbraw/zinc/26/45/11/603264511.db2.gz DSUFFRQYOVESNY-CEXWTWQISA-N 0 1 388.512 2.721 20 0 GFADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])C[C@@H]1C ZINC000739485998 603353899 /nfs/dbraw/zinc/35/38/99/603353899.db2.gz CNWXERKHWPRULL-INIZCTEOSA-N 0 1 392.500 2.761 20 0 GFADMN CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])C[C@@H]1C ZINC000739485998 603353904 /nfs/dbraw/zinc/35/39/04/603353904.db2.gz CNWXERKHWPRULL-INIZCTEOSA-N 0 1 392.500 2.761 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000739079140 603398195 /nfs/dbraw/zinc/39/81/95/603398195.db2.gz KGRDKAFVOCJODZ-OKILXGFUSA-N 0 1 390.484 2.588 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739175211 603414588 /nfs/dbraw/zinc/41/45/88/603414588.db2.gz QXDRPDYSHANKMZ-NHYWBVRUSA-N 0 1 388.295 2.930 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000832314136 603498122 /nfs/dbraw/zinc/49/81/22/603498122.db2.gz VPQQLHZSNYKURP-DAWZGUTISA-N 0 1 377.460 2.875 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000832314136 603498126 /nfs/dbraw/zinc/49/81/26/603498126.db2.gz VPQQLHZSNYKURP-DAWZGUTISA-N 0 1 377.460 2.875 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)ccc21 ZINC000832635931 603538505 /nfs/dbraw/zinc/53/85/05/603538505.db2.gz JMLCISQIVCAMDQ-GOSISDBHSA-N 0 1 384.480 2.513 20 0 GFADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C1 ZINC000826989180 603543885 /nfs/dbraw/zinc/54/38/85/603543885.db2.gz XKLFTVXNPQQSKT-MRXNPFEDSA-N 0 1 386.496 2.713 20 0 GFADMN COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000829556918 603553712 /nfs/dbraw/zinc/55/37/12/603553712.db2.gz WUWIALCYIBYIIS-RBUKOAKNSA-N 0 1 389.496 2.651 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000826183252 607637358 /nfs/dbraw/zinc/63/73/58/607637358.db2.gz JGPYLIANKWENIG-RTBURBONSA-N 0 1 379.464 2.963 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827641580 603575365 /nfs/dbraw/zinc/57/53/65/603575365.db2.gz AEIRDJUBNVGTHW-ZWKOTPCHSA-N 0 1 384.480 2.878 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc1F ZINC000830824170 603722490 /nfs/dbraw/zinc/72/24/90/603722490.db2.gz KJWMXAKEFXNPBX-ZBFHGGJFSA-N 0 1 389.431 2.555 20 0 GFADMN CN(C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000828200136 603726920 /nfs/dbraw/zinc/72/69/20/603726920.db2.gz SFBLAMGAPOICIA-OALUTQOASA-N 0 1 388.512 2.682 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000827099939 603800026 /nfs/dbraw/zinc/80/00/26/603800026.db2.gz SRBVHMHRGJTKSW-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000827882607 603809831 /nfs/dbraw/zinc/80/98/31/603809831.db2.gz PQCXNOOTKNTPQK-WOJBJXKFSA-N 0 1 384.476 2.838 20 0 GFADMN CN(C(=O)C[N@@H+](C)C1CCC(NC(=O)[O-])CC1)c1nc2ccccc2s1 ZINC000827759678 603834909 /nfs/dbraw/zinc/83/49/09/603834909.db2.gz XPDHFYJUXKVZLN-UHFFFAOYSA-N 0 1 376.482 2.770 20 0 GFADMN CC(C)[C@H](CC[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1)NC(=O)[O-] ZINC000824099964 603854640 /nfs/dbraw/zinc/85/46/40/603854640.db2.gz SNNIMSKJQLVDMR-KRWDZBQOSA-N 0 1 386.496 2.667 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)C(C)C)cc1 ZINC000829312389 603986276 /nfs/dbraw/zinc/98/62/76/603986276.db2.gz UEPUYLBEPQUUQG-LJQANCHMSA-N 0 1 377.485 2.583 20 0 GFADMN Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)cc1F ZINC000830358069 604102224 /nfs/dbraw/zinc/10/22/24/604102224.db2.gz JJEOVJHFLPMCBU-AWEZNQCLSA-N 0 1 381.448 2.600 20 0 GFADMN Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000830003215 604107352 /nfs/dbraw/zinc/10/73/52/604107352.db2.gz GFIITEJZAWTCMP-INIZCTEOSA-N 0 1 377.485 2.769 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000825199940 604156465 /nfs/dbraw/zinc/15/64/65/604156465.db2.gz FEJWREHPVCMZHP-CGTJXYLNSA-N 0 1 391.487 2.932 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252487 604166721 /nfs/dbraw/zinc/16/67/21/604166721.db2.gz DXPDMPIOYHUCTI-XQQFMLRXSA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252487 604166724 /nfs/dbraw/zinc/16/67/24/604166724.db2.gz DXPDMPIOYHUCTI-XQQFMLRXSA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736808541 604195066 /nfs/dbraw/zinc/19/50/66/604195066.db2.gz NVVSVURPJHAQDW-GJZGRUSLSA-N 0 1 392.500 2.506 20 0 GFADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000830385382 604199744 /nfs/dbraw/zinc/19/97/44/604199744.db2.gz CQIBBQAQWYRGSR-HRCADAONSA-N 0 1 390.484 2.708 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000825901271 604212475 /nfs/dbraw/zinc/21/24/75/604212475.db2.gz NSVUYKNIFNURPD-VEHMJYNQSA-N 0 1 392.544 2.956 20 0 GFADMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC000825060917 607679850 /nfs/dbraw/zinc/67/98/50/607679850.db2.gz UYJKFHRCBBBNSL-DNVCBOLYSA-N 0 1 392.511 2.702 20 0 GFADMN O=C([O-])c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000567862730 604295031 /nfs/dbraw/zinc/29/50/31/604295031.db2.gz RBTRHJJQDLWLGG-UHFFFAOYSA-N 0 1 387.867 2.590 20 0 GFADMN C[C@@H](CC(=O)N1CC[NH+](CCc2cccs2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824600562 604316987 /nfs/dbraw/zinc/31/69/87/604316987.db2.gz ZDWTZZUKQWBMLZ-IRXDYDNUSA-N 0 1 393.553 2.851 20 0 GFADMN Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)CC2)c1 ZINC000832983444 604331029 /nfs/dbraw/zinc/33/10/29/604331029.db2.gz XNUAYPVXHGIJAU-UHFFFAOYSA-N 0 1 384.436 2.598 20 0 GFADMN C[N@H+]1CCC[C@H]2CN(C(=O)C3(c4ccccc4)CCN(C(=O)[O-])CC3)CC[C@H]21 ZINC000828481425 604351355 /nfs/dbraw/zinc/35/13/55/604351355.db2.gz OMJDDYKWDZMLAF-PKOBYXMFSA-N 0 1 385.508 2.641 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000832338552 604357278 /nfs/dbraw/zinc/35/72/78/604357278.db2.gz IOBGGTGFKTYUMD-VNTMZGSJSA-N 0 1 385.508 2.936 20 0 GFADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(C(=O)[O-])oc1C)CC2 ZINC000564463993 604423572 /nfs/dbraw/zinc/42/35/72/604423572.db2.gz ULSAEVXVMPKTDA-UHFFFAOYSA-N 0 1 375.421 2.913 20 0 GFADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000826892943 604440776 /nfs/dbraw/zinc/44/07/76/604440776.db2.gz NEYTXMPUEGHBLZ-NVXWUHKLSA-N 0 1 376.501 2.889 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000832041746 604461217 /nfs/dbraw/zinc/46/12/17/604461217.db2.gz ZXHZEAFXJQPKRV-WMLDXEAASA-N 0 1 394.468 2.819 20 0 GFADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000830249638 604471861 /nfs/dbraw/zinc/47/18/61/604471861.db2.gz KYXJPTLUUFZRKL-CJNGLKHVSA-N 0 1 382.888 2.703 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000832040273 604474795 /nfs/dbraw/zinc/47/47/95/604474795.db2.gz BQUYTEHZXIRMHH-KSSFIOAISA-N 0 1 392.496 2.704 20 0 GFADMN C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCCC4)CC[C@@H]21 ZINC000830940930 604496707 /nfs/dbraw/zinc/49/67/07/604496707.db2.gz NBYUQQTZQVNCBY-HIFRSBDPSA-N 0 1 391.537 2.680 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CC[C@]3(O)CCCC[C@@H]3C1)CCC2 ZINC000833107118 604499193 /nfs/dbraw/zinc/49/91/93/604499193.db2.gz YLSIFGVSANPIDJ-CWTRNNRKSA-N 0 1 378.494 2.501 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CC[C@]3(O)CCCC[C@@H]3C1)CCC2 ZINC000833107118 604499199 /nfs/dbraw/zinc/49/91/99/604499199.db2.gz YLSIFGVSANPIDJ-CWTRNNRKSA-N 0 1 378.494 2.501 20 0 GFADMN CN(C(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1)c1ccccc1C(=O)[O-] ZINC000833684979 604520260 /nfs/dbraw/zinc/52/02/60/604520260.db2.gz ZXZOJKUPLJANJM-FQEVSTJZSA-N 0 1 382.460 2.621 20 0 GFADMN Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833755761 604619077 /nfs/dbraw/zinc/61/90/77/604619077.db2.gz ALCNYHOIBSZIIJ-QGZVFWFLSA-N 0 1 398.507 2.713 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000825354083 604634197 /nfs/dbraw/zinc/63/41/97/604634197.db2.gz ZCIORPFIHYIYNH-MFKMUULPSA-N 0 1 390.267 2.679 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000825354083 604634201 /nfs/dbraw/zinc/63/42/01/604634201.db2.gz ZCIORPFIHYIYNH-MFKMUULPSA-N 0 1 390.267 2.679 20 0 GFADMN Cn1cc(CN2CC[NH+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CC2)cn1 ZINC000833047002 604760559 /nfs/dbraw/zinc/76/05/59/604760559.db2.gz YYSNYJVKVVHUFP-UHFFFAOYSA-N 0 1 388.468 2.790 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC000830376337 604790013 /nfs/dbraw/zinc/79/00/13/604790013.db2.gz WGPFSQNGGUIDFS-UHFFFAOYSA-N 0 1 388.464 2.888 20 0 GFADMN COc1ccc(Cl)cc1Cn1cc(-c2nn[nH]n2)c(=O)c2nc(C)ccc21 ZINC000826208744 607716095 /nfs/dbraw/zinc/71/60/95/607716095.db2.gz YHAHTOCMTTYZTC-UHFFFAOYSA-N 0 1 382.811 2.595 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cc(F)cc2cccnc21 ZINC000826295150 607718589 /nfs/dbraw/zinc/71/85/89/607718589.db2.gz SZUUSUFFFZSDMQ-UHFFFAOYSA-N 0 1 387.378 2.621 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1csc(-c2ccco2)n1 ZINC000826294773 607719713 /nfs/dbraw/zinc/71/97/13/607719713.db2.gz BUDASARMTIISTH-UHFFFAOYSA-N 0 1 391.416 2.650 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000833421535 604933086 /nfs/dbraw/zinc/93/30/86/604933086.db2.gz QYVVFRQUAGLYSE-AWEZNQCLSA-N 0 1 389.521 2.778 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000652499743 604939201 /nfs/dbraw/zinc/93/92/01/604939201.db2.gz KRGGSOYVLLQGAK-OAHLLOKOSA-N 0 1 383.510 2.682 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000829143388 604946090 /nfs/dbraw/zinc/94/60/90/604946090.db2.gz ZCGLFTISWMIEHH-LRDDRELGSA-N 0 1 381.860 2.613 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000833290912 604949619 /nfs/dbraw/zinc/94/96/19/604949619.db2.gz XNCBFQQMXBYODE-QFBILLFUSA-N 0 1 398.463 2.781 20 0 GFADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833550004 604950265 /nfs/dbraw/zinc/95/02/65/604950265.db2.gz UEULENYONMKSRU-GCJKJVERSA-N 0 1 395.503 2.650 20 0 GFADMN C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833516046 604963007 /nfs/dbraw/zinc/96/30/07/604963007.db2.gz QBKGHGOWGCEJLC-XIKOKIGWSA-N 0 1 379.416 2.858 20 0 GFADMN C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833516046 604963010 /nfs/dbraw/zinc/96/30/10/604963010.db2.gz QBKGHGOWGCEJLC-XIKOKIGWSA-N 0 1 379.416 2.858 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](SC)C2)cc(C(=O)[O-])c1 ZINC000833713177 604966478 /nfs/dbraw/zinc/96/64/78/604966478.db2.gz OGQKLRLKDSIWSS-BLLLJJGKSA-N 0 1 394.493 2.716 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000833209996 604976848 /nfs/dbraw/zinc/97/68/48/604976848.db2.gz CMCZIZZZZLTBSO-BATSVXPKSA-N 0 1 385.464 2.531 20 0 GFADMN O=C([O-])CCc1csc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000833239633 604978804 /nfs/dbraw/zinc/97/88/04/604978804.db2.gz JEVIULNULYTEMJ-OAHLLOKOSA-N 0 1 388.493 2.946 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000833621332 605047888 /nfs/dbraw/zinc/04/78/88/605047888.db2.gz AKHMPRWHEFLMNV-CQSZACIVSA-N 0 1 381.904 2.808 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594654 605088224 /nfs/dbraw/zinc/08/82/24/605088224.db2.gz FJFXNVSILNURQV-ZIAGYGMSSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594654 605088230 /nfs/dbraw/zinc/08/82/30/605088230.db2.gz FJFXNVSILNURQV-ZIAGYGMSSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C[N@H+]1Cc1ccccc1 ZINC000833589816 605145615 /nfs/dbraw/zinc/14/56/15/605145615.db2.gz DLGADIPQAHGRKP-NEWSRXKRSA-N 0 1 388.512 2.729 20 0 GFADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000829175111 605169762 /nfs/dbraw/zinc/16/97/62/605169762.db2.gz YAZZUXJMDHMRRT-XHDPSFHLSA-N 0 1 381.860 2.995 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000833629602 605195107 /nfs/dbraw/zinc/19/51/07/605195107.db2.gz YBZSFQACGCZZHV-KRWDZBQOSA-N 0 1 397.475 2.898 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000833628457 605199058 /nfs/dbraw/zinc/19/90/58/605199058.db2.gz ILNTVWGRAFRVGN-QGZVFWFLSA-N 0 1 397.475 2.898 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000833629606 605200716 /nfs/dbraw/zinc/20/07/16/605200716.db2.gz YDZKHUSZEQNBOK-GOSISDBHSA-N 0 1 395.503 2.697 20 0 GFADMN CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)CC1 ZINC000833438130 605221514 /nfs/dbraw/zinc/22/15/14/605221514.db2.gz ZDGBYXVGFZXYJH-UHFFFAOYSA-N 0 1 383.533 2.552 20 0 GFADMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC000833538372 605253130 /nfs/dbraw/zinc/25/31/30/605253130.db2.gz CVQZXKUGOJDEFM-VXGBXAGGSA-N 0 1 389.279 2.768 20 0 GFADMN O=C([O-])CCSCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833774793 605267129 /nfs/dbraw/zinc/26/71/29/605267129.db2.gz HDVCXGTUOAHCJK-HNNXBMFYSA-N 0 1 379.526 2.817 20 0 GFADMN C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833621024 605276638 /nfs/dbraw/zinc/27/66/38/605276638.db2.gz JAPBECRJLLETKR-INIZCTEOSA-N 0 1 380.444 2.539 20 0 GFADMN C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621024 605276640 /nfs/dbraw/zinc/27/66/40/605276640.db2.gz JAPBECRJLLETKR-INIZCTEOSA-N 0 1 380.444 2.539 20 0 GFADMN CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CC2)cn1 ZINC000827699970 605306865 /nfs/dbraw/zinc/30/68/65/605306865.db2.gz GHHVFALIGLKVGP-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)CC2)cn1 ZINC000827699970 605306874 /nfs/dbraw/zinc/30/68/74/605306874.db2.gz GHHVFALIGLKVGP-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3ncc(Br)c3C3CC3)C[C@@H]21 ZINC000834177098 605326830 /nfs/dbraw/zinc/32/68/30/605326830.db2.gz ASTHXPCPZIJEAT-MBNYWOFBSA-N 0 1 383.290 2.849 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3ncc(Br)c3C3CC3)C[C@@H]21 ZINC000834177098 605326836 /nfs/dbraw/zinc/32/68/36/605326836.db2.gz ASTHXPCPZIJEAT-MBNYWOFBSA-N 0 1 383.290 2.849 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[NH+]2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)O1 ZINC000833581310 605360861 /nfs/dbraw/zinc/36/08/61/605360861.db2.gz WKMAFRXGTXWORI-WMLDXEAASA-N 0 1 398.463 2.563 20 0 GFADMN O=C([O-])N1CC[C@@H](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000834040000 605372450 /nfs/dbraw/zinc/37/24/50/605372450.db2.gz XVKAMFVNTHWBBG-WBVHZDCISA-N 0 1 388.512 2.999 20 0 GFADMN CC(C)c1cnc(C[NH2+]Cc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC000833511425 605442913 /nfs/dbraw/zinc/44/29/13/605442913.db2.gz RIMNOCDLWWDZQS-UHFFFAOYSA-N 0 1 382.507 2.556 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3nc(-c4ccco4)cs3)C[C@@H]21 ZINC000834184438 605455814 /nfs/dbraw/zinc/45/58/14/605455814.db2.gz GZRBEQSHVDKVJB-RWMBFGLXSA-N 0 1 390.465 2.710 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3nc(-c4ccco4)cs3)C[C@@H]21 ZINC000834184438 605455818 /nfs/dbraw/zinc/45/58/18/605455818.db2.gz GZRBEQSHVDKVJB-RWMBFGLXSA-N 0 1 390.465 2.710 20 0 GFADMN CCC[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CCN(C(=O)[O-])CC1 ZINC000826906872 605470690 /nfs/dbraw/zinc/47/06/90/605470690.db2.gz HMJUAZICUPOOQR-UHFFFAOYSA-N 0 1 379.526 2.877 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000414635990 605515966 /nfs/dbraw/zinc/51/59/66/605515966.db2.gz CTCCZWFVPSLJSU-FHLIZLRMSA-N 0 1 395.450 2.995 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000414635990 605515973 /nfs/dbraw/zinc/51/59/73/605515973.db2.gz CTCCZWFVPSLJSU-FHLIZLRMSA-N 0 1 395.450 2.995 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000834025868 605519308 /nfs/dbraw/zinc/51/93/08/605519308.db2.gz KAVXZANFAOEMFN-CRAIPNDOSA-N 0 1 385.464 2.903 20 0 GFADMN C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCN(C(=O)[O-])CC1 ZINC000824570116 605536351 /nfs/dbraw/zinc/53/63/51/605536351.db2.gz BVCVTFNSAJQWIQ-HHXXYDBFSA-N 0 1 377.529 2.878 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000826070074 605560578 /nfs/dbraw/zinc/56/05/78/605560578.db2.gz ZBISNHXUNYUIQC-JFRXWTBNSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000834225564 605573181 /nfs/dbraw/zinc/57/31/81/605573181.db2.gz KPVCBYGGTDMONG-LBPRGKRZSA-N 0 1 379.258 2.724 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000825899228 605649943 /nfs/dbraw/zinc/64/99/43/605649943.db2.gz AVYVLULETJHMAZ-IXDOHACOSA-N 0 1 383.558 2.585 20 0 GFADMN Cn1c(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)nc2ccc(Cl)cc21 ZINC000833942147 605671218 /nfs/dbraw/zinc/67/12/18/605671218.db2.gz VFMWYQOWYAOKBC-UHFFFAOYSA-N 0 1 380.876 2.865 20 0 GFADMN O=C([O-])NCCCOC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000834239069 605674591 /nfs/dbraw/zinc/67/45/91/605674591.db2.gz XZTZLYYJAXRIMB-UHFFFAOYSA-N 0 1 387.274 2.793 20 0 GFADMN C[C@@H](c1ccc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825629836 605679686 /nfs/dbraw/zinc/67/96/86/605679686.db2.gz IYNUFYWRGOPHMF-YOEHRIQHSA-N 0 1 393.509 2.504 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000833827851 605682649 /nfs/dbraw/zinc/68/26/49/605682649.db2.gz BGHFAWANLAFLMI-PWSUYJOCSA-N 0 1 385.258 2.698 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000832381109 605695951 /nfs/dbraw/zinc/69/59/51/605695951.db2.gz AOBZNLIFFALEJM-UHFFFAOYSA-N 0 1 385.386 2.543 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833468094 605785417 /nfs/dbraw/zinc/78/54/17/605785417.db2.gz MOKJYQPKUGYNNT-KCXAZCMYSA-N 0 1 385.867 2.880 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CN3C[C@H](c4cccc(F)c4)CC3=O)C2)CC1 ZINC000834091357 605862467 /nfs/dbraw/zinc/86/24/67/605862467.db2.gz ADRUFTFRAZLKTM-MRXNPFEDSA-N 0 1 375.444 2.565 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000833833508 605905648 /nfs/dbraw/zinc/90/56/48/605905648.db2.gz YSDWYBZINQUZEV-DGCLKSJQSA-N 0 1 388.295 2.930 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000833827541 605908564 /nfs/dbraw/zinc/90/85/64/605908564.db2.gz BGALOFSMEUBKQW-UTUOFQBUSA-N 0 1 377.268 2.711 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c(C(=O)[O-])c1 ZINC000833510799 605919054 /nfs/dbraw/zinc/91/90/54/605919054.db2.gz RHMPPYFGYBKOEI-GDBMZVCRSA-N 0 1 387.480 2.532 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c(C(=O)[O-])c1 ZINC000833510799 605919058 /nfs/dbraw/zinc/91/90/58/605919058.db2.gz RHMPPYFGYBKOEI-GDBMZVCRSA-N 0 1 387.480 2.532 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C(=O)[O-])c1 ZINC000833511073 605926856 /nfs/dbraw/zinc/92/68/56/605926856.db2.gz ZBKGGFVKNNRARJ-MQVJKMGUSA-N 0 1 387.480 2.578 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](NC(=O)[O-])C3)ccc2c1 ZINC000739938020 605929490 /nfs/dbraw/zinc/92/94/90/605929490.db2.gz QSCVIQZUQWXADB-KSSFIOAISA-N 0 1 385.464 2.537 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](NC(=O)[O-])C3)ccc2c1 ZINC000739938020 605929494 /nfs/dbraw/zinc/92/94/94/605929494.db2.gz QSCVIQZUQWXADB-KSSFIOAISA-N 0 1 385.464 2.537 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)N1CCc2sccc2C1 ZINC000832234964 605941287 /nfs/dbraw/zinc/94/12/87/605941287.db2.gz QHZXFBYBFNOTTO-MQVJKMGUSA-N 0 1 377.510 2.676 20 0 GFADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000834091376 605956230 /nfs/dbraw/zinc/95/62/30/605956230.db2.gz ATYIBTGECYUKDS-FGTMMUONSA-N 0 1 375.444 2.533 20 0 GFADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000834091376 605956234 /nfs/dbraw/zinc/95/62/34/605956234.db2.gz ATYIBTGECYUKDS-FGTMMUONSA-N 0 1 375.444 2.533 20 0 GFADMN CCOc1cccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427545 606303098 /nfs/dbraw/zinc/30/30/98/606303098.db2.gz UUKMOWXIRMVOGE-MLGOLLRUSA-N 0 1 398.492 2.783 20 0 GFADMN C[C@]1(CCc2ccccc2)CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612232 606337783 /nfs/dbraw/zinc/33/77/83/606337783.db2.gz CECCPZTUBMYLJP-KNQAVFIVSA-N 0 1 390.491 2.738 20 0 GFADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000823104506 606538537 /nfs/dbraw/zinc/53/85/37/606538537.db2.gz YFQIIXCZPVBGOY-KRWDZBQOSA-N 0 1 389.419 2.776 20 0 GFADMN Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCC[NH+]1CCCC1 ZINC000822209684 606568223 /nfs/dbraw/zinc/56/82/23/606568223.db2.gz RSPUXBOJCKPWLG-UHFFFAOYSA-N 0 1 398.492 2.964 20 0 GFADMN Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCC[NH+]1CCCC1 ZINC000822209684 606568225 /nfs/dbraw/zinc/56/82/25/606568225.db2.gz RSPUXBOJCKPWLG-UHFFFAOYSA-N 0 1 398.492 2.964 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820649981 606669954 /nfs/dbraw/zinc/66/99/54/606669954.db2.gz PZUQWPLQHAPXNT-BETUJISGSA-N 0 1 392.454 2.633 20 0 GFADMN O=C1[C@@H](N2CC[C@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504051 606717594 /nfs/dbraw/zinc/71/75/94/606717594.db2.gz LIBYQEFPPDNNEN-LPHOPBHVSA-N 0 1 392.438 2.601 20 0 GFADMN C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820664503 606876539 /nfs/dbraw/zinc/87/65/39/606876539.db2.gz AWVFKLDHJFCHJI-HOCLYGCPSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820664503 606876540 /nfs/dbraw/zinc/87/65/40/606876540.db2.gz AWVFKLDHJFCHJI-HOCLYGCPSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664503 606876541 /nfs/dbraw/zinc/87/65/41/606876541.db2.gz AWVFKLDHJFCHJI-HOCLYGCPSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820664503 606876542 /nfs/dbraw/zinc/87/65/42/606876542.db2.gz AWVFKLDHJFCHJI-HOCLYGCPSA-N 0 1 386.463 2.885 20 0 GFADMN O=C(CC1CCCC1)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822940707 607067293 /nfs/dbraw/zinc/06/72/93/607067293.db2.gz BEVWZECDUBJPFB-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN Cc1ccccc1-c1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)no1 ZINC000822344814 607158018 /nfs/dbraw/zinc/15/80/18/607158018.db2.gz ANHSLXGUKANPHP-UHFFFAOYSA-N 0 1 385.387 2.588 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000822200071 607167545 /nfs/dbraw/zinc/16/75/45/607167545.db2.gz SPKAARUMCKMNLE-ZDUSSCGKSA-N 0 1 387.447 2.926 20 0 GFADMN Fc1cccc(F)c1-c1n[nH]cc1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC000822743673 607228981 /nfs/dbraw/zinc/22/89/81/607228981.db2.gz CPLOPZGZMSTUEZ-UHFFFAOYSA-N 0 1 385.353 2.964 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)C2CCCC2)cc1-c1nn[nH]n1 ZINC000826229357 607811071 /nfs/dbraw/zinc/81/10/71/607811071.db2.gz AXBLZCZUCKSYCM-UHFFFAOYSA-N 0 1 376.486 2.635 20 0 GFADMN CC(C)(C)C[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824085127 607827831 /nfs/dbraw/zinc/82/78/31/607827831.db2.gz BXTGUURWLVHQOA-OAHLLOKOSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974726 607913361 /nfs/dbraw/zinc/91/33/61/607913361.db2.gz DYUPHNCKCWQRHX-HUUCEWRRSA-N 0 1 392.463 2.824 20 0 GFADMN O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000826412729 608000459 /nfs/dbraw/zinc/00/04/59/608000459.db2.gz BAXXWYDZDBAULH-UHFFFAOYSA-N 0 1 384.350 2.731 20 0 GFADMN COc1cccc(CCCN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826215945 608068080 /nfs/dbraw/zinc/06/80/80/608068080.db2.gz DBCYRDZXIXBCGF-HXUWFJFHSA-N 0 1 379.464 2.881 20 0 GFADMN CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825435278 608153238 /nfs/dbraw/zinc/15/32/38/608153238.db2.gz RUVHWNQVNLZHPP-CQSZACIVSA-N 0 1 380.452 2.724 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CCN1C ZINC000824859265 608202183 /nfs/dbraw/zinc/20/21/83/608202183.db2.gz OYLBLUNUPMPJEN-HUUCEWRRSA-N 0 1 392.463 2.824 20 0 GFADMN NC(=O)c1csc(CNCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826394113 608311079 /nfs/dbraw/zinc/31/10/79/608311079.db2.gz XHEBNEURBPTXCS-UHFFFAOYSA-N 0 1 390.472 2.984 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1-c1nn[nH]n1 ZINC000826332322 608314803 /nfs/dbraw/zinc/31/48/03/608314803.db2.gz QHJLNJCZCLUNKK-OAQYLSRUSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000826332322 608314805 /nfs/dbraw/zinc/31/48/05/608314805.db2.gz QHJLNJCZCLUNKK-OAQYLSRUSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000826332322 608314806 /nfs/dbraw/zinc/31/48/06/608314806.db2.gz QHJLNJCZCLUNKK-OAQYLSRUSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000826332322 608314808 /nfs/dbraw/zinc/31/48/08/608314808.db2.gz QHJLNJCZCLUNKK-OAQYLSRUSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000826332322 608314810 /nfs/dbraw/zinc/31/48/10/608314810.db2.gz QHJLNJCZCLUNKK-OAQYLSRUSA-N 0 1 393.495 2.753 20 0 GFADMN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000826104147 608357415 /nfs/dbraw/zinc/35/74/15/608357415.db2.gz QMWSZUOJGGAPLU-OAHLLOKOSA-N 0 1 395.463 2.687 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000824875946 608399258 /nfs/dbraw/zinc/39/92/58/608399258.db2.gz PRJNTHSLUFLUMC-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000824875946 608399260 /nfs/dbraw/zinc/39/92/60/608399260.db2.gz PRJNTHSLUFLUMC-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892773 608411466 /nfs/dbraw/zinc/41/14/66/608411466.db2.gz MNZJKHVYJGVPLP-GXTWGEPZSA-N 0 1 390.463 2.883 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000826506021 608420748 /nfs/dbraw/zinc/42/07/48/608420748.db2.gz LBYREDXDAASNQD-IBGZPJMESA-N 0 1 387.846 2.839 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000826506021 608420750 /nfs/dbraw/zinc/42/07/50/608420750.db2.gz LBYREDXDAASNQD-IBGZPJMESA-N 0 1 387.846 2.839 20 0 GFADMN COc1cccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826214368 608432322 /nfs/dbraw/zinc/43/23/22/608432322.db2.gz JNSZPVJXUXVRFG-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824332932 608452423 /nfs/dbraw/zinc/45/24/23/608452423.db2.gz AZDOTKJQIAEOFO-HNNXBMFYSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555092 608466402 /nfs/dbraw/zinc/46/64/02/608466402.db2.gz USFKEFBSQWBJBA-CABCVRRESA-N 0 1 376.464 2.885 20 0 GFADMN C[C@@H](NCC(=O)NCCc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562010 608466543 /nfs/dbraw/zinc/46/65/43/608466543.db2.gz ASNLWBMOUVTRPE-CYBMUJFWSA-N 0 1 384.871 2.530 20 0 GFADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCCC2=O)c1 ZINC000824617746 608476093 /nfs/dbraw/zinc/47/60/93/608476093.db2.gz JYZWZSIIVYGRDA-CYBMUJFWSA-N 0 1 380.427 2.983 20 0 GFADMN COc1cccc2cc(CN3CCN(c4ccccc4-c4nn[nH]n4)CC3)oc21 ZINC000826217896 608515745 /nfs/dbraw/zinc/51/57/45/608515745.db2.gz GZNHDHZAWDKWFE-UHFFFAOYSA-N 0 1 390.447 2.944 20 0 GFADMN FC(F)(F)COc1ccc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000826367770 608530928 /nfs/dbraw/zinc/53/09/28/608530928.db2.gz NJARJEXPYGOVNS-UHFFFAOYSA-N 0 1 390.369 2.982 20 0 GFADMN Cc1cc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)s1 ZINC000826262021 608578417 /nfs/dbraw/zinc/57/84/17/608578417.db2.gz BTFQFCBOSLNMHL-LBPRGKRZSA-N 0 1 391.522 2.670 20 0 GFADMN c1ccc(N2CCCN(Cc3nc4c(s3)CCC4)CC2)c(-c2nn[nH]n2)c1 ZINC000826521983 608582163 /nfs/dbraw/zinc/58/21/63/608582163.db2.gz GQXRWYUEHWPDSI-UHFFFAOYSA-N 0 1 381.509 2.524 20 0 GFADMN Fc1cccc(N2CCN(Cc3cncc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377530 608596422 /nfs/dbraw/zinc/59/64/22/608596422.db2.gz VVVWFRFQGFKUAT-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824764898 608643593 /nfs/dbraw/zinc/64/35/93/608643593.db2.gz ZQFVFVFUDLMJBD-CYBMUJFWSA-N 0 1 378.415 2.780 20 0 GFADMN O=c1[nH]nc(SCc2cccc(-c3nn[nH]n3)c2F)n1CCc1ccccc1 ZINC000826501293 608671104 /nfs/dbraw/zinc/67/11/04/608671104.db2.gz JHHLRZJAHJSKBX-UHFFFAOYSA-N 0 1 397.439 2.838 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983543 608701054 /nfs/dbraw/zinc/70/10/54/608701054.db2.gz BLLZMJVVDAZMEU-AAEUAGOBSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983543 608701055 /nfs/dbraw/zinc/70/10/55/608701055.db2.gz BLLZMJVVDAZMEU-AAEUAGOBSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983543 608701056 /nfs/dbraw/zinc/70/10/56/608701056.db2.gz BLLZMJVVDAZMEU-AAEUAGOBSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983543 608701057 /nfs/dbraw/zinc/70/10/57/608701057.db2.gz BLLZMJVVDAZMEU-AAEUAGOBSA-N 0 1 378.502 2.663 20 0 GFADMN CCC[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1)N(C)C ZINC000825224992 608759560 /nfs/dbraw/zinc/75/95/60/608759560.db2.gz JAFMRSJCWCTYKE-MRXNPFEDSA-N 0 1 381.440 2.723 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](COc2ccccc2)C1 ZINC000824046473 609147085 /nfs/dbraw/zinc/14/70/85/609147085.db2.gz SJDVZNYPKAYXJM-JKSUJKDBSA-N 0 1 392.463 2.595 20 0 GFADMN c1ccc(-c2cncc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2)cc1 ZINC000826519032 609162353 /nfs/dbraw/zinc/16/23/53/609162353.db2.gz HIQXKOLDRLCXMK-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN C[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546063 609168832 /nfs/dbraw/zinc/16/88/32/609168832.db2.gz GQJOMWHXAXXMEL-BLLLJJGKSA-N 0 1 397.870 2.761 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545382 609169021 /nfs/dbraw/zinc/16/90/21/609169021.db2.gz CGBCFLYGIORTSJ-LRDDRELGSA-N 0 1 397.870 2.761 20 0 GFADMN O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000826473229 609287926 /nfs/dbraw/zinc/28/79/26/609287926.db2.gz PNAQZEXNPDOJAH-UHFFFAOYSA-N 0 1 396.882 2.868 20 0 GFADMN CC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCCCCC1 ZINC000824784501 609293939 /nfs/dbraw/zinc/29/39/39/609293939.db2.gz VIYNYJUPBWKGJV-UHFFFAOYSA-N 0 1 399.499 2.741 20 0 GFADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825060942 609299432 /nfs/dbraw/zinc/29/94/32/609299432.db2.gz VHLBYLJXDDZJSG-NXEZZACHSA-N 0 1 376.486 2.728 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649443 609313944 /nfs/dbraw/zinc/31/39/44/609313944.db2.gz MCNFUDQYPKWFNH-KGLIPLIRSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649443 609313946 /nfs/dbraw/zinc/31/39/46/609313946.db2.gz MCNFUDQYPKWFNH-KGLIPLIRSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649443 609313948 /nfs/dbraw/zinc/31/39/48/609313948.db2.gz MCNFUDQYPKWFNH-KGLIPLIRSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649443 609313950 /nfs/dbraw/zinc/31/39/50/609313950.db2.gz MCNFUDQYPKWFNH-KGLIPLIRSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649445 609313976 /nfs/dbraw/zinc/31/39/76/609313976.db2.gz MCNFUDQYPKWFNH-ZIAGYGMSSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649445 609313978 /nfs/dbraw/zinc/31/39/78/609313978.db2.gz MCNFUDQYPKWFNH-ZIAGYGMSSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649445 609313980 /nfs/dbraw/zinc/31/39/80/609313980.db2.gz MCNFUDQYPKWFNH-ZIAGYGMSSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649445 609313982 /nfs/dbraw/zinc/31/39/82/609313982.db2.gz MCNFUDQYPKWFNH-ZIAGYGMSSA-N 0 1 378.484 2.875 20 0 GFADMN CCc1c(C)[nH+]c2ccccc2c1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825688207 609316145 /nfs/dbraw/zinc/31/61/45/609316145.db2.gz SRNZNGDLVYEQJR-UHFFFAOYSA-N 0 1 391.483 2.660 20 0 GFADMN CCc1c(C)[nH+]c2ccccc2c1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825688207 609316147 /nfs/dbraw/zinc/31/61/47/609316147.db2.gz SRNZNGDLVYEQJR-UHFFFAOYSA-N 0 1 391.483 2.660 20 0 GFADMN C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617337 609326220 /nfs/dbraw/zinc/32/62/20/609326220.db2.gz GUAVAIZYOMZOFM-AWEZNQCLSA-N 0 1 394.454 2.979 20 0 GFADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531675 609344713 /nfs/dbraw/zinc/34/47/13/609344713.db2.gz QBLWTKBIUXFPJC-CHWSQXEVSA-N 0 1 378.415 2.998 20 0 GFADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000824141505 609408055 /nfs/dbraw/zinc/40/80/55/609408055.db2.gz IWGYJKMGHQOGRS-CYBMUJFWSA-N 0 1 398.496 2.570 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546404 609412290 /nfs/dbraw/zinc/41/22/90/609412290.db2.gz ISHIUXUGKOXGAG-UGSOOPFHSA-N 0 1 380.427 2.852 20 0 GFADMN OC[C@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826508012 609427355 /nfs/dbraw/zinc/42/73/55/609427355.db2.gz BFCVHRFYXUOCGM-HNNXBMFYSA-N 0 1 392.232 2.592 20 0 GFADMN Cc1ccc(CCC[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1 ZINC000826287386 609587785 /nfs/dbraw/zinc/58/77/85/609587785.db2.gz 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Cn1ccnc1[C@H]1C[C@H](NCc2nc3ccccn3c2Br)CCO1 ZINC000825325339 660420818 /nfs/dbraw/zinc/42/08/18/660420818.db2.gz BBOUUGCDSBEREB-TZMCWYRMSA-N 0 1 390.285 2.840 20 0 GFADMN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000825341856 660421562 /nfs/dbraw/zinc/42/15/62/660421562.db2.gz UHJVPYVJOSDSAS-UHFFFAOYSA-N 0 1 395.232 2.802 20 0 GFADMN O=C(c1ccc(CN2CCCCC2)o1)N1CCn2ncc(Br)c2C1 ZINC000825488871 660429955 /nfs/dbraw/zinc/42/99/55/660429955.db2.gz URZSIYOFJKJTIN-UHFFFAOYSA-N 0 1 393.285 2.881 20 0 GFADMN CN(C[C@H](O)c1ccccc1Br)c1nc(N)nc2c1CCCC2 ZINC000826120722 660450145 /nfs/dbraw/zinc/45/01/45/660450145.db2.gz AUSZNLZRBDUAFF-HNNXBMFYSA-N 0 1 377.286 2.870 20 0 GFADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Br)n(C)n2)CC1 ZINC000827203657 660484044 /nfs/dbraw/zinc/48/40/44/660484044.db2.gz WSTWTQGSEPFIDX-GFCCVEGCSA-N 0 1 392.301 2.533 20 0 GFADMN COc1cc(C)nc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000605147413 651529924 /nfs/dbraw/zinc/52/99/24/651529924.db2.gz WMYHUARDSHOQLV-UHFFFAOYSA-N 0 1 375.230 2.953 20 0 GFADMN COc1cc(C)nc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000605147413 651529929 /nfs/dbraw/zinc/52/99/29/651529929.db2.gz WMYHUARDSHOQLV-UHFFFAOYSA-N 0 1 375.230 2.953 20 0 GFADMN COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc(Br)[nH]n1 ZINC000827929497 660523446 /nfs/dbraw/zinc/52/34/46/660523446.db2.gz LGPGQVYOUSTKMN-UHFFFAOYSA-N 0 1 396.285 2.902 20 0 GFADMN Cc1[nH]nc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1Br ZINC000616009901 651889334 /nfs/dbraw/zinc/88/93/34/651889334.db2.gz DSAGDAXYKCLLSK-ZDUSSCGKSA-N 0 1 378.274 2.726 20 0 GFADMN CN(C)Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)cn1 ZINC000828734873 660566959 /nfs/dbraw/zinc/56/69/59/660566959.db2.gz IGFZYCVEOJBTSR-RCCFBDPRSA-N 0 1 386.293 2.974 20 0 GFADMN CSCc1n[nH]c(CNC(=O)c2cc(Br)cnc2C2CC2)n1 ZINC000829668504 660605839 /nfs/dbraw/zinc/60/58/39/660605839.db2.gz NQOFOKONTSIQMJ-UHFFFAOYSA-N 0 1 382.287 2.633 20 0 GFADMN CSCc1nnc(CNC(=O)c2cc(Br)cnc2C2CC2)[nH]1 ZINC000829668504 660605840 /nfs/dbraw/zinc/60/58/40/660605840.db2.gz NQOFOKONTSIQMJ-UHFFFAOYSA-N 0 1 382.287 2.633 20 0 GFADMN CN(C)C(=O)O[C@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000830488117 660659087 /nfs/dbraw/zinc/65/90/87/660659087.db2.gz SDZZJXJSVFJLAK-AAEUAGOBSA-N 0 1 377.268 2.506 20 0 GFADMN Cc1nc(CC(C)C)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)s1 ZINC000830815990 660681452 /nfs/dbraw/zinc/68/14/52/660681452.db2.gz IFUFTYIXEOPROZ-OAHLLOKOSA-N 0 1 377.432 2.933 20 0 GFADMN Cc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(Br)c1 ZINC000831135455 660698363 /nfs/dbraw/zinc/69/83/63/660698363.db2.gz YCUAMOVFZSNVAO-UHFFFAOYSA-N 0 1 379.176 2.508 20 0 GFADMN Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(Br)s1 ZINC000831139090 660698735 /nfs/dbraw/zinc/69/87/35/660698735.db2.gz FDCRITLTYJXWHW-UHFFFAOYSA-N 0 1 385.205 2.570 20 0 GFADMN O=C(NCC1CN(C(=O)c2ccc(SC(F)(F)F)o2)C1)C(F)(F)F ZINC000831121963 660697306 /nfs/dbraw/zinc/69/73/06/660697306.db2.gz REFURSACQJSAIF-UHFFFAOYSA-N 0 1 376.278 2.642 20 0 GFADMN Cc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(C)c1Br ZINC000831130243 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C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1nc(Br)cs1 ZINC000834676169 660829450 /nfs/dbraw/zinc/82/94/50/660829450.db2.gz PMQPXRNAXNSOHW-VIFPVBQESA-N 0 1 394.360 2.513 20 0 GFADMN Cc1n[nH]c(CCNC(=O)Nc2cc(Br)cc3nc(C)oc32)n1 ZINC000836531598 660914670 /nfs/dbraw/zinc/91/46/70/660914670.db2.gz ZUBPCINKFKZLKF-UHFFFAOYSA-N 0 1 379.218 2.689 20 0 GFADMN COCCn1c(=O)cc(O)nc1SCc1ccc(F)cc1Br ZINC000836637051 660923768 /nfs/dbraw/zinc/92/37/68/660923768.db2.gz NRHDZBCLBLBNKV-UHFFFAOYSA-N 0 1 389.246 2.789 20 0 GFADMN CC(C)[C@H](CO)ONC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000836902800 660952896 /nfs/dbraw/zinc/95/28/96/660952896.db2.gz VSLPTNHIHQXZLK-HNNXBMFYSA-N 0 1 384.885 2.983 20 0 GFADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836905633 660953576 /nfs/dbraw/zinc/95/35/76/660953576.db2.gz RRVMDTWMGSYXAS-BBRMVZONSA-N 0 1 389.327 2.573 20 0 GFADMN Cc1cc(Br)nc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000836765904 660941424 /nfs/dbraw/zinc/94/14/24/660941424.db2.gz 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ZINC000153553241 551455661 /nfs/dbraw/zinc/45/56/61/551455661.db2.gz NTCRNKVPLALZNU-DTORHVGOSA-N 0 1 378.641 2.767 20 0 GFADMN CCn1c(SCC(=O)N(C)[C@H]2CCCN(C)C2)nnc1-c1cccs1 ZINC000153670298 551458196 /nfs/dbraw/zinc/45/81/96/551458196.db2.gz PVDBZVWFALVDGH-ZDUSSCGKSA-N 0 1 379.555 2.671 20 0 GFADMN COc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc(OC)c1Br ZINC000153888377 551462700 /nfs/dbraw/zinc/46/27/00/551462700.db2.gz GTVAFPMFTOGNOC-CYBMUJFWSA-N 0 1 385.302 2.879 20 0 GFADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153973159 551464192 /nfs/dbraw/zinc/46/41/92/551464192.db2.gz NKKMDVBRRLRFNH-LZWOXQAQSA-N 0 1 383.330 2.853 20 0 GFADMN CN1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C(C)(C)C1=O ZINC000154212791 551469716 /nfs/dbraw/zinc/46/97/16/551469716.db2.gz OAWTXGMEKHUWID-UHFFFAOYSA-N 0 1 391.269 2.532 20 0 GFADMN CCN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000154412243 551474637 /nfs/dbraw/zinc/47/46/37/551474637.db2.gz ASBXVCFHMZUJTE-ZDUSSCGKSA-N 0 1 386.323 2.895 20 0 GFADMN NC(=O)NC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154420039 551474671 /nfs/dbraw/zinc/47/46/71/551474671.db2.gz CAEMVQBOLGWUGN-UHFFFAOYSA-N 0 1 390.285 2.539 20 0 GFADMN COCCCN1Cc2cccc(NS(=O)(=O)c3ccc(Cl)nc3)c2C1 ZINC000155011959 551488665 /nfs/dbraw/zinc/48/86/65/551488665.db2.gz UVEGIFQWFAWBRX-UHFFFAOYSA-N 0 1 381.885 2.888 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000155217674 551494514 /nfs/dbraw/zinc/49/45/14/551494514.db2.gz JQOJJNBHTCDXJA-UHFFFAOYSA-N 0 1 379.295 2.693 20 0 GFADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155340541 551497387 /nfs/dbraw/zinc/49/73/87/551497387.db2.gz OALJQGNGALOOIH-LLVKDONJSA-N 0 1 379.295 2.598 20 0 GFADMN CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1 ZINC000155572227 551502991 /nfs/dbraw/zinc/50/29/91/551502991.db2.gz DIFPUWVIFWJYAJ-NSHDSACASA-N 0 1 394.273 2.769 20 0 GFADMN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H](C)CN1 ZINC000156230068 551517739 /nfs/dbraw/zinc/51/77/39/551517739.db2.gz ZCPIHNRRBNOVIL-HTQZYQBOSA-N 0 1 385.686 2.613 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)c1ccco1 ZINC000156489275 551523378 /nfs/dbraw/zinc/52/33/78/551523378.db2.gz IPENKRYDGQTWGM-LLVKDONJSA-N 0 1 378.219 2.847 20 0 GFADMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cncc(Br)c2)c1 ZINC000158197635 551548077 /nfs/dbraw/zinc/54/80/77/551548077.db2.gz RJNCICOUTOYHDL-UHFFFAOYSA-N 0 1 385.239 2.740 20 0 GFADMN CN(CCNCc1ccccc1Br)S(=O)(=O)c1cccs1 ZINC000158360218 551550316 /nfs/dbraw/zinc/55/03/16/551550316.db2.gz NPEYCPLRKWPUSB-UHFFFAOYSA-N 0 1 389.340 2.921 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC(N(C)C)C1 ZINC000158358946 551550644 /nfs/dbraw/zinc/55/06/44/551550644.db2.gz FBXDTCJAXWAADC-UHFFFAOYSA-N 0 1 377.286 2.638 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000161775454 551598396 /nfs/dbraw/zinc/59/83/96/551598396.db2.gz IRXZSGZCEFNONS-AWEZNQCLSA-N 0 1 390.325 2.968 20 0 GFADMN C[C@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695249 551621517 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C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000415340403 563768109 /nfs/dbraw/zinc/76/81/09/563768109.db2.gz MHCGEAUNMWMIOA-SSDOTTSWSA-N 0 1 395.084 2.515 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)[C@H](C)c3ccc(Br)s3)CCO2)n[nH]1 ZINC000173087031 551695655 /nfs/dbraw/zinc/69/56/55/551695655.db2.gz JINOGLOKZBMDAS-PSASIEDQSA-N 0 1 385.287 2.641 20 0 GFADMN CC[C@H](CO)N1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000174132408 552100066 /nfs/dbraw/zinc/10/00/66/552100066.db2.gz ZWJVJMNLTHOFHH-MRXNPFEDSA-N 0 1 394.313 2.993 20 0 GFADMN O=C(CC1(O)CCCC1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000174505974 552105606 /nfs/dbraw/zinc/10/56/06/552105606.db2.gz GOWKAKQJAJUPBN-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN O=C(CC1(O)CCCC1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000174505974 552105608 /nfs/dbraw/zinc/10/56/08/552105608.db2.gz GOWKAKQJAJUPBN-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN CCN1CC[NH+](CCC(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000174918014 552112479 /nfs/dbraw/zinc/11/24/79/552112479.db2.gz VBHAPTOIFHLNTD-UHFFFAOYSA-N 0 1 390.709 2.774 20 0 GFADMN Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](CC(N)=O)C2)ccc1Br ZINC000175224495 552118542 /nfs/dbraw/zinc/11/85/42/552118542.db2.gz CGXGRQKVIADGSD-CHWSQXEVSA-N 0 1 382.302 2.672 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)c1ccco1 ZINC000175359782 552119929 /nfs/dbraw/zinc/11/99/29/552119929.db2.gz WCDQJZADZBIGBS-LLVKDONJSA-N 0 1 396.209 2.986 20 0 GFADMN Cc1c(C(=O)N2CCNC(C)(C)C2)cnn1-c1ccc(Br)cc1 ZINC000175407006 552121165 /nfs/dbraw/zinc/12/11/65/552121165.db2.gz RCXJXAZMWKJGAD-UHFFFAOYSA-N 0 1 377.286 2.767 20 0 GFADMN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176007262 552134249 /nfs/dbraw/zinc/13/42/49/552134249.db2.gz OQYLOUXCBMVSGC-OAHLLOKOSA-N 0 1 386.323 2.900 20 0 GFADMN O=S(=O)(Cc1ccnc(-c2ccc(Br)cc2)n1)c1ncc[nH]1 ZINC000178562008 552172750 /nfs/dbraw/zinc/17/27/50/552172750.db2.gz PVKZPJDHRGKJGT-UHFFFAOYSA-N 0 1 379.239 2.603 20 0 GFADMN O=S(=O)(N[C@@H](CO)c1cccc(Br)c1)c1c(F)cccc1F ZINC000178863406 552177546 /nfs/dbraw/zinc/17/75/46/552177546.db2.gz NXUCNRWZCCBSSC-ZDUSSCGKSA-N 0 1 392.221 2.739 20 0 GFADMN O=S(=O)(NCCNCc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000178968524 552180852 /nfs/dbraw/zinc/18/08/52/552180852.db2.gz BRFFGARHEHIRPD-UHFFFAOYSA-N 0 1 396.925 2.860 20 0 GFADMN O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)c([O-])c1 ZINC000179548564 552195927 /nfs/dbraw/zinc/19/59/27/552195927.db2.gz JPWSUPIWYSJSIM-UHFFFAOYSA-N 0 1 390.281 2.944 20 0 GFADMN C[C@H]1Cc2cc(S(=O)(=O)N3CCCC[C@@H]3c3nnc[nH]3)cc(Cl)c2O1 ZINC000179684630 552200242 /nfs/dbraw/zinc/20/02/42/552200242.db2.gz HKBMRNFVISYKIK-IINYFYTJSA-N 0 1 382.873 2.697 20 0 GFADMN COCCn1ccc2ccc(NS(=O)(=O)c3cc(Cl)cnc3N)cc21 ZINC000179884731 552206101 /nfs/dbraw/zinc/20/61/01/552206101.db2.gz SZGSHGGOFQIWNJ-UHFFFAOYSA-N 0 1 380.857 2.719 20 0 GFADMN Cc1nc(S(=O)(=O)NCc2cc(F)ccc2F)sc1Br ZINC000180065479 552211406 /nfs/dbraw/zinc/21/14/06/552211406.db2.gz BQXWYNRGYXBUFC-UHFFFAOYSA-N 0 1 383.239 2.971 20 0 GFADMN CCCCCN(CC(N)=O)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000180345923 552223601 /nfs/dbraw/zinc/22/36/01/552223601.db2.gz RWJLEMOOZHSYFI-UHFFFAOYSA-N 0 1 393.285 2.957 20 0 GFADMN C[C@H](CN1CCOCC1)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000180687699 552232681 /nfs/dbraw/zinc/23/26/81/552232681.db2.gz DNCKOEXAPVHWBZ-SJORKVTESA-N 0 1 396.373 2.848 20 0 GFADMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180826661 552237310 /nfs/dbraw/zinc/23/73/10/552237310.db2.gz IUOJRUOETMAJOU-GJZGRUSLSA-N 0 1 387.567 2.877 20 0 GFADMN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)c(Br)c1 ZINC000180963155 552241435 /nfs/dbraw/zinc/24/14/35/552241435.db2.gz MITZDMLPYHXCTL-BONVTDFDSA-N 0 1 381.249 2.778 20 0 GFADMN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039159 552243730 /nfs/dbraw/zinc/24/37/30/552243730.db2.gz DFRVPAJUYCIHQL-KGLIPLIRSA-N 0 1 386.323 2.577 20 0 GFADMN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc(F)cc2nc[nH]c21 ZINC000181119624 552247285 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O=C(N1CC[C@@H](N2CCCC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000538345157 564188923 /nfs/dbraw/zinc/18/89/23/564188923.db2.gz DWBCWHFAXKWOFN-MRXNPFEDSA-N 0 1 391.309 2.747 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1cnccc1C ZINC000449526339 564189997 /nfs/dbraw/zinc/18/99/97/564189997.db2.gz VTMCQQLZYWUTIK-CYBMUJFWSA-N 0 1 392.297 2.956 20 0 GFADMN Cn1cc(I)c(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000449607227 564192939 /nfs/dbraw/zinc/19/29/39/564192939.db2.gz WXBUDZMGTQHTTN-JHJVBQTASA-N 0 1 389.281 2.710 20 0 GFADMN Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000563541237 564196382 /nfs/dbraw/zinc/19/63/82/564196382.db2.gz GRHNBFQXEIWEJQ-IAQYHMDHSA-N 0 1 381.778 2.727 20 0 GFADMN C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc(Br)c1 ZINC000563664417 564201319 /nfs/dbraw/zinc/20/13/19/564201319.db2.gz YUOYLGFKYLCUOT-CYBMUJFWSA-N 0 1 375.332 2.743 20 0 GFADMN O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1c(Cl)ccc(F)c1F ZINC000563721197 564203924 /nfs/dbraw/zinc/20/39/24/564203924.db2.gz CIHAYAIKMPWRPO-KGLIPLIRSA-N 0 1 394.871 2.540 20 0 GFADMN NC(=O)c1ccc(N2CCN(CCSc3ccc(Cl)cc3)CC2)nc1 ZINC000506953706 564214287 /nfs/dbraw/zinc/21/42/87/564214287.db2.gz JDKPYKMTEAEADN-UHFFFAOYSA-N 0 1 376.913 2.748 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCO1 ZINC000539592287 564223506 /nfs/dbraw/zinc/22/35/06/564223506.db2.gz ZMGDORPIHYKSQG-PWSUYJOCSA-N 0 1 379.258 2.666 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000539592287 564223511 /nfs/dbraw/zinc/22/35/11/564223511.db2.gz ZMGDORPIHYKSQG-PWSUYJOCSA-N 0 1 379.258 2.666 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)n[nH]1 ZINC000472441517 564223912 /nfs/dbraw/zinc/22/39/12/564223912.db2.gz YNJSLBFMINDBNH-RNCFNFMXSA-N 0 1 379.258 2.872 20 0 GFADMN CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000564203792 564224739 /nfs/dbraw/zinc/22/47/39/564224739.db2.gz XGHBDJPGXGERGH-LLVKDONJSA-N 0 1 379.258 2.984 20 0 GFADMN Cc1cccc2nc(CNC(=O)c3cnn4cc(Br)cnc34)[nH]c21 ZINC000539917559 564232910 /nfs/dbraw/zinc/23/29/10/564232910.db2.gz LREDNKPRCDBJDB-UHFFFAOYSA-N 0 1 385.225 2.607 20 0 GFADMN CC[C@@H](Cn1cncn1)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000564424183 564233323 /nfs/dbraw/zinc/23/33/23/564233323.db2.gz QPLCUBBZSFWRKX-NEPJUHHUSA-N 0 1 381.274 2.941 20 0 GFADMN Cc1ccc(Br)cc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000450481352 564234903 /nfs/dbraw/zinc/23/49/03/564234903.db2.gz VVWKHHCLVVTOJT-QGZVFWFLSA-N 0 1 380.286 2.568 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@@H](C)CN1C ZINC000450541622 564237686 /nfs/dbraw/zinc/23/76/86/564237686.db2.gz RKJRLVYKONFUCF-OLZOCXBDSA-N 0 1 377.286 2.799 20 0 GFADMN O=C(NCCN1c2ccccc2NS1(=O)=O)c1cc2c(s1)CCCC2 ZINC000473267919 564242828 /nfs/dbraw/zinc/24/28/28/564242828.db2.gz DSVLOWZJFKDGEQ-UHFFFAOYSA-N 0 1 377.491 2.534 20 0 GFADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1nnc(C)[nH]1 ZINC000540243254 564243453 /nfs/dbraw/zinc/24/34/53/564243453.db2.gz RVKLZDWCMNOIJS-LKFCYVNXSA-N 0 1 399.314 2.860 20 0 GFADMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1nc(C)n[nH]1 ZINC000540243254 564243457 /nfs/dbraw/zinc/24/34/57/564243457.db2.gz RVKLZDWCMNOIJS-LKFCYVNXSA-N 0 1 399.314 2.860 20 0 GFADMN O=C(NCCCCn1cc(Br)cn1)c1c[nH]c2ccccc2c1=O ZINC000473294793 564243679 /nfs/dbraw/zinc/24/36/79/564243679.db2.gz WUTOEJSTIWFEBT-UHFFFAOYSA-N 0 1 389.253 2.697 20 0 GFADMN Cc1c([C@@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)cnn1-c1cccc(Cl)c1 ZINC000564662928 564244378 /nfs/dbraw/zinc/24/43/78/564244378.db2.gz YTTUVSCOABRSIB-IUODEOHRSA-N 0 1 382.917 2.519 20 0 GFADMN O=C1CC[C@@H](N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCN1 ZINC000450889126 564253327 /nfs/dbraw/zinc/25/33/27/564253327.db2.gz BXZACEUVSRLKNK-GFCCVEGCSA-N 0 1 376.810 2.545 20 0 GFADMN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000564886900 564254757 /nfs/dbraw/zinc/25/47/57/564254757.db2.gz VIBFIUQVOPWYMW-VIFPVBQESA-N 0 1 377.861 2.942 20 0 GFADMN CCCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000508238814 564259186 /nfs/dbraw/zinc/25/91/86/564259186.db2.gz RZEATOKHRPQQJK-UHFFFAOYSA-N 0 1 382.281 2.916 20 0 GFADMN Cc1nc(S(=O)(=O)[N-][C@H](C)C[N@@H+]2CCC[C@H](C)C2)sc1Br ZINC000473948963 564259936 /nfs/dbraw/zinc/25/99/36/564259936.db2.gz HBKZKKFSTCGACS-VHSXEESVSA-N 0 1 396.376 2.613 20 0 GFADMN Cc1nc(S(=O)(=O)[N-][C@H](C)C[N@H+]2CCC[C@H](C)C2)sc1Br ZINC000473948963 564259938 /nfs/dbraw/zinc/25/99/38/564259938.db2.gz HBKZKKFSTCGACS-VHSXEESVSA-N 0 1 396.376 2.613 20 0 GFADMN CN(C)S(=O)(=O)[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000450998326 564261114 /nfs/dbraw/zinc/26/11/14/564261114.db2.gz ZLKUPVFPWXEUCG-QJPTWQEYSA-N 0 1 378.407 2.566 20 0 GFADMN Cc1cscc1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000451024686 564263659 /nfs/dbraw/zinc/26/36/59/564263659.db2.gz OXOPYRGYNJRZNC-UHFFFAOYSA-N 0 1 388.536 2.792 20 0 GFADMN O=S(=O)(NCC(F)(F)F)c1ccc(Cl)cc1I ZINC000451019209 564263995 /nfs/dbraw/zinc/26/39/95/564263995.db2.gz RBGCHILZRIJJHX-UHFFFAOYSA-N 0 1 399.559 2.785 20 0 GFADMN C[C@](CO)(NCc1ccc(I)cc1)c1cccc(O)c1 ZINC000451032089 564265226 /nfs/dbraw/zinc/26/52/26/564265226.db2.gz OHOLTVXVZZDRAT-MRXNPFEDSA-N 0 1 383.229 2.994 20 0 GFADMN CC[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1cccc(S(N)(=O)=O)c1 ZINC000541204883 564268889 /nfs/dbraw/zinc/26/88/89/564268889.db2.gz HYYBGEZCTUUPIC-HNNXBMFYSA-N 0 1 382.869 2.957 20 0 GFADMN C[NH+](C)CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000541572732 564283910 /nfs/dbraw/zinc/28/39/10/564283910.db2.gz WKFYMTUMVNYHPU-UHFFFAOYSA-N 0 1 375.705 2.503 20 0 GFADMN COCCN1CC[C@@H](NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)C1 ZINC000509199521 564286844 /nfs/dbraw/zinc/28/68/44/564286844.db2.gz XWLHUNJNDJMCOM-UONOGXRCSA-N 0 1 396.329 2.799 20 0 GFADMN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451218837 564287988 /nfs/dbraw/zinc/28/79/88/564287988.db2.gz OOMDJDBIRQWYOD-QMMMGPOBSA-N 0 1 378.372 2.925 20 0 GFADMN C[C@H]1CCN(CC(=O)NCc2c(Br)cncc2Br)C1 ZINC000565609087 564288366 /nfs/dbraw/zinc/28/83/66/564288366.db2.gz TZMZMNIYAYTVLU-VIFPVBQESA-N 0 1 391.107 2.565 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000565597559 564288449 /nfs/dbraw/zinc/28/84/49/564288449.db2.gz RIKRHUYIZBOSPF-DVOMOZLQSA-N 0 1 397.313 2.839 20 0 GFADMN CO[C@@H](C)CS(=O)(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000509388983 564295337 /nfs/dbraw/zinc/29/53/37/564295337.db2.gz ZSGCHLLIDKMMRB-ZETCQYMHSA-N 0 1 387.330 2.994 20 0 GFADMN Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ncc(C(F)(F)F)s2)cn1 ZINC000475050890 564298370 /nfs/dbraw/zinc/29/83/70/564298370.db2.gz NWPMZXLQGXKNSH-RYUDHWBXSA-N 0 1 377.411 2.598 20 0 GFADMN COC(=O)[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)[C@H]1C ZINC000475126923 564300544 /nfs/dbraw/zinc/30/05/44/564300544.db2.gz AGUOMGVDPVQVIX-BBRMVZONSA-N 0 1 397.313 2.669 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1N(C)C ZINC000451356816 564304717 /nfs/dbraw/zinc/30/47/17/564304717.db2.gz XOAIXKQQYUEYTQ-KGLIPLIRSA-N 0 1 385.942 2.554 20 0 GFADMN O=S(=O)(CCc1ccccc1Br)Nc1cc2n(n1)CCCC2 ZINC000565982436 564305144 /nfs/dbraw/zinc/30/51/44/564305144.db2.gz KZRRLZFKAGIENS-UHFFFAOYSA-N 0 1 384.299 2.966 20 0 GFADMN CCCN(C)[C@@H](CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Cl)cc1 ZINC000509617734 564305924 /nfs/dbraw/zinc/30/59/24/564305924.db2.gz AZLXRFPGGFPLGM-INIZCTEOSA-N 0 1 384.933 2.743 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000509623638 564306210 /nfs/dbraw/zinc/30/62/10/564306210.db2.gz FHLTZJUNQGYFJV-WDEREUQCSA-N 0 1 378.270 2.868 20 0 GFADMN CCc1nc(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000566054417 564307622 /nfs/dbraw/zinc/30/76/22/564307622.db2.gz SNHOGIDJXZLHEA-NSHDSACASA-N 0 1 383.283 2.752 20 0 GFADMN COC[C@@H](CO)NCc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000475507717 564310533 /nfs/dbraw/zinc/31/05/33/564310533.db2.gz ADSFJUJZNBXXLF-OAHLLOKOSA-N 0 1 382.302 2.855 20 0 GFADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc2nc[nH]c2n1 ZINC000542689741 564321325 /nfs/dbraw/zinc/32/13/25/564321325.db2.gz RXOTTWIEHCVFNS-UHFFFAOYSA-N 0 1 384.197 2.758 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC[C@@H](COC(F)F)C1 ZINC000451532202 564323641 /nfs/dbraw/zinc/32/36/41/564323641.db2.gz KEFNLJAXMYZGHW-MRVPVSSYSA-N 0 1 375.315 2.661 20 0 GFADMN O=C1CCCCCN1CCCNCc1ncc(I)s1 ZINC000510238999 564328218 /nfs/dbraw/zinc/32/82/18/564328218.db2.gz IBOFDAYUPCZYKS-UHFFFAOYSA-N 0 1 393.294 2.630 20 0 GFADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1cncc(Br)c1 ZINC000566500492 564329779 /nfs/dbraw/zinc/32/97/79/564329779.db2.gz JBSBCKNMEOBYBB-CYBMUJFWSA-N 0 1 392.297 2.862 20 0 GFADMN CC1=CCN(CCNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000566531902 564330787 /nfs/dbraw/zinc/33/07/87/564330787.db2.gz HOWAOANQAJBBGI-UHFFFAOYSA-N 0 1 376.302 2.771 20 0 GFADMN Cc1nc(S(=O)(=O)NCCCC2CCOCC2)sc1Br ZINC000451610627 564331474 /nfs/dbraw/zinc/33/14/74/564331474.db2.gz SUOVJCOFJOLLQI-UHFFFAOYSA-N 0 1 383.333 2.699 20 0 GFADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1csc(C(=O)OC)c1)c1ccco1 ZINC000510392933 564332014 /nfs/dbraw/zinc/33/20/14/564332014.db2.gz FUVBRPVQFYXVLV-AAEUAGOBSA-N 0 1 386.495 2.535 20 0 GFADMN Ic1cnc(CNC[C@@H]2CCCCN2C2CC2)s1 ZINC000511764130 564381063 /nfs/dbraw/zinc/38/10/63/564381063.db2.gz CJMWKXFATSVVQX-NSHDSACASA-N 0 1 377.295 2.854 20 0 GFADMN O=S(=O)(N[C@@H]1CCCN(CCCO)C1)c1ccc(Cl)c2ccccc21 ZINC000451663722 564337280 /nfs/dbraw/zinc/33/72/80/564337280.db2.gz AXSJABHZJIJHDE-CQSZACIVSA-N 0 1 382.913 2.618 20 0 GFADMN CC[C@](NS(=O)(=O)c1cnc(C)s1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000510562338 564338646 /nfs/dbraw/zinc/33/86/46/564338646.db2.gz ZOXPISTZFIWYSF-OAHLLOKOSA-N 0 1 388.898 2.862 20 0 GFADMN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cn1 ZINC000566713477 564339152 /nfs/dbraw/zinc/33/91/52/564339152.db2.gz FHOKCAMJTGXJLJ-ZDUSSCGKSA-N 0 1 377.286 2.927 20 0 GFADMN CC(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2Br)n[nH]1 ZINC000451680241 564339167 /nfs/dbraw/zinc/33/91/67/564339167.db2.gz JATLUXKJBHWWAF-UHFFFAOYSA-N 0 1 393.694 2.823 20 0 GFADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000543506286 564353389 /nfs/dbraw/zinc/35/33/89/564353389.db2.gz 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ZINC000511322536 564367124 /nfs/dbraw/zinc/36/71/24/564367124.db2.gz GCTSPNLDLZOASW-UHFFFAOYSA-N 0 1 388.917 2.623 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl)N(C)C ZINC000451941354 564370376 /nfs/dbraw/zinc/37/03/76/564370376.db2.gz ZZBUCLWACVHSHC-ZETCQYMHSA-N 0 1 390.130 2.984 20 0 GFADMN COC(=O)c1ccc(CN[C@H](C)Cn2cc(Br)cn2)nc1C1CC1 ZINC000567429676 564370894 /nfs/dbraw/zinc/37/08/94/564370894.db2.gz YALLNENMDHTXSD-LLVKDONJSA-N 0 1 393.285 2.883 20 0 GFADMN CCO[C@@H]1COC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000451945180 564371327 /nfs/dbraw/zinc/37/13/27/564371327.db2.gz SRIJKPBVXUSABP-OXUXUCFPSA-N 0 1 375.296 2.953 20 0 GFADMN CCO[C@@H]1COC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000451945179 564371378 /nfs/dbraw/zinc/37/13/78/564371378.db2.gz SRIJKPBVXUSABP-IRHXVLAXSA-N 0 1 375.296 2.953 20 0 GFADMN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567494534 564374352 /nfs/dbraw/zinc/37/43/52/564374352.db2.gz NDFZNJIYSGQESL-QMMMGPOBSA-N 0 1 378.205 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Fc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1Br ZINC000512978226 564417085 /nfs/dbraw/zinc/41/70/85/564417085.db2.gz ZOTKRZCPTHPOTQ-CYBMUJFWSA-N 0 1 385.199 2.941 20 0 GFADMN COc1c(Br)cccc1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000513011723 564418025 /nfs/dbraw/zinc/41/80/25/564418025.db2.gz IPDIRHDGRIBBOJ-ZDUSSCGKSA-N 0 1 397.235 2.810 20 0 GFADMN C[C@H]1CCN(C)CCN1C(=O)c1ncc(Br)cc1Br ZINC000545384468 564421043 /nfs/dbraw/zinc/42/10/43/564421043.db2.gz CSXFMQIVWIIHFW-VIFPVBQESA-N 0 1 391.107 2.773 20 0 GFADMN Cc1cccc2nc(CCC(=O)NCc3nn(C)cc3Br)[nH]c21 ZINC000452759750 564430760 /nfs/dbraw/zinc/43/07/60/564430760.db2.gz XZURAZWZCAOOBX-UHFFFAOYSA-N 0 1 376.258 2.616 20 0 GFADMN Ic1cccc2ncnc(N3CCN(C4CC4)CC3)c12 ZINC000545866931 564434473 /nfs/dbraw/zinc/43/44/73/564434473.db2.gz GFXVPRXHZQUOPF-UHFFFAOYSA-N 0 1 380.233 2.519 20 0 GFADMN CCOC(=O)C1(C(=O)Nc2nc3ccc(Br)cc3[nH]2)CCOCC1 ZINC000513628803 564434931 /nfs/dbraw/zinc/43/49/31/564434931.db2.gz NKMZHJFLZWOPAD-UHFFFAOYSA-N 0 1 396.241 2.624 20 0 GFADMN 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O=S1(=O)CC[C@@H](NCCc2cscn2)c2cc(Br)ccc21 ZINC000480150351 564461535 /nfs/dbraw/zinc/46/15/35/564461535.db2.gz QZLKOTPYMGBWRR-CYBMUJFWSA-N 0 1 387.324 2.956 20 0 GFADMN C[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204551 564464285 /nfs/dbraw/zinc/46/42/85/564464285.db2.gz YVJWXCNCCSHYID-FFSVYQOJSA-N 0 1 399.354 2.882 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ncc(F)cc2I)s1 ZINC000480264627 564466478 /nfs/dbraw/zinc/46/64/78/564466478.db2.gz LPSYWYZEWVEOLT-UHFFFAOYSA-N 0 1 398.222 2.996 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(N2CN=NC2=O)CC1 ZINC000569649996 564472637 /nfs/dbraw/zinc/47/26/37/564472637.db2.gz XIPVMKGWDCRKFQ-UHFFFAOYSA-N 0 1 378.845 2.566 20 0 GFADMN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000515243594 564473108 /nfs/dbraw/zinc/47/31/08/564473108.db2.gz JSMSJXIYJKCUBZ-UHFFFAOYSA-N 0 1 376.825 2.781 20 0 GFADMN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1nc(SCCO)n[nH]1 ZINC000480492479 564476286 /nfs/dbraw/zinc/47/62/86/564476286.db2.gz 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CC(C)n1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC000623645167 565523546 /nfs/dbraw/zinc/52/35/46/565523546.db2.gz QFQMMXDJXGZZIF-QGZVFWFLSA-N 0 1 379.302 2.631 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000666419037 565536760 /nfs/dbraw/zinc/53/67/60/565536760.db2.gz XYMURXYXPDCSDN-HOCLYGCPSA-N 0 1 382.917 2.617 20 0 GFADMN O[C@H](CNc1ncc(Br)cc1F)CN1CCc2ccccc2C1 ZINC000624246883 565548607 /nfs/dbraw/zinc/54/86/07/565548607.db2.gz FLFZAGSJDRFONI-OAHLLOKOSA-N 0 1 380.261 2.814 20 0 GFADMN CC[C@H](C)N[C@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709763 565553985 /nfs/dbraw/zinc/55/39/85/565553985.db2.gz SMILPRNIMJFUQP-SMDDNHRTSA-N 0 1 387.889 2.744 20 0 GFADMN Cc1nccc(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1Br ZINC000666837117 565559043 /nfs/dbraw/zinc/55/90/43/565559043.db2.gz LFJHKVWITVIWAN-HNNXBMFYSA-N 0 1 389.297 2.970 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)C[C@@H](C(F)(F)F)O1 ZINC000646135910 565588055 /nfs/dbraw/zinc/58/80/55/565588055.db2.gz 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GFADMN FC(F)CN1CCC[C@H]1CNCc1ncc(I)s1 ZINC000598988595 565652427 /nfs/dbraw/zinc/65/24/27/565652427.db2.gz SKZQMADPVFWUON-QMMMGPOBSA-N 0 1 387.237 2.567 20 0 GFADMN Brc1cc(CN2CCN([C@H]3CCOC3)CC2)cc2c1OCCCO2 ZINC000668537359 565652596 /nfs/dbraw/zinc/65/25/96/565652596.db2.gz MZJGMVUDYFZCJV-HNNXBMFYSA-N 0 1 397.313 2.517 20 0 GFADMN C[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H](C)[C@H]1O ZINC000668554698 565653992 /nfs/dbraw/zinc/65/39/92/565653992.db2.gz RKFGFZNHMXTFRQ-UOIKSKOESA-N 0 1 383.330 2.734 20 0 GFADMN C[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1cc(F)c(Br)cc1F ZINC000625752347 565656852 /nfs/dbraw/zinc/65/68/52/565656852.db2.gz UUJMLYGLZPPFBB-SDDRHHMPSA-N 0 1 394.256 2.934 20 0 GFADMN C[C@@H](Cn1cc(Br)ccc1=O)N[C@H](CCO)c1ccccc1F ZINC000647344917 565658070 /nfs/dbraw/zinc/65/80/70/565658070.db2.gz BJWOAZBZZIJTHG-BLLLJJGKSA-N 0 1 383.261 2.852 20 0 GFADMN CC[C@H](NCc1ccc(CO)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000647322016 565658271 /nfs/dbraw/zinc/65/82/71/565658271.db2.gz 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CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000626168199 565681730 /nfs/dbraw/zinc/68/17/30/565681730.db2.gz MQNDTEDUSOZBPS-QWHCGFSZSA-N 0 1 375.332 2.771 20 0 GFADMN C[C@H](CNC(=O)[C@@H]1CCCc2n[nH]nc21)Oc1cccc(Br)c1 ZINC000669314281 565685014 /nfs/dbraw/zinc/68/50/14/565685014.db2.gz GOKDVFUBUQSJEA-ZWNOBZJWSA-N 0 1 379.258 2.571 20 0 GFADMN COC(=O)c1cnc(CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000599628516 565694034 /nfs/dbraw/zinc/69/40/34/565694034.db2.gz UNEKJWWLFJUVPL-MRXNPFEDSA-N 0 1 383.279 2.963 20 0 GFADMN CCCCNC(=O)NC(=O)CN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000599628396 565694068 /nfs/dbraw/zinc/69/40/68/565694068.db2.gz SGKVJDKKGNGWAG-OAHLLOKOSA-N 0 1 389.327 2.812 20 0 GFADMN O=S(=O)(NCCN[C@@H]1CCCc2cccnc21)c1ccc(Cl)cc1F ZINC000669618682 565695338 /nfs/dbraw/zinc/69/53/38/565695338.db2.gz DRJXSUQGWDKEQF-OAHLLOKOSA-N 0 1 383.876 2.820 20 0 GFADMN CCC(O)(CC)C[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000599672542 565696396 /nfs/dbraw/zinc/69/63/96/565696396.db2.gz 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/nfs/dbraw/zinc/71/84/93/565718493.db2.gz DJLJWWGZYLSGMB-GFCCVEGCSA-N 0 1 378.885 2.612 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627259184 565728415 /nfs/dbraw/zinc/72/84/15/565728415.db2.gz ONCRLPRGIPBKTE-BPQIPLTHSA-N 0 1 395.341 2.685 20 0 GFADMN CC1=CCN(CCNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648862440 565735183 /nfs/dbraw/zinc/73/51/83/565735183.db2.gz LCLHYJCKWJTAEU-UHFFFAOYSA-N 0 1 377.286 2.718 20 0 GFADMN COC(=O)[C@@H]1CCN(C(=O)c2cccc(Br)c2O)[C@H]2CCC[C@H]21 ZINC000600547346 565736157 /nfs/dbraw/zinc/73/61/57/565736157.db2.gz BSANLIFOSKYFLC-WDMOLILDSA-N 0 1 382.254 2.959 20 0 GFADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000648917581 565739985 /nfs/dbraw/zinc/73/99/85/565739985.db2.gz JNQLTBHCTMXPKJ-XWTMOSNGSA-N 0 1 393.325 2.610 20 0 GFADMN COc1cc(Br)c(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1OC ZINC000649093068 565747363 /nfs/dbraw/zinc/74/73/63/565747363.db2.gz UYJFDIFXRROZAS-UHFFFAOYSA-N 0 1 395.257 2.604 20 0 GFADMN Cc1nnc(SCCC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)[nH]1 ZINC000649203719 565754144 /nfs/dbraw/zinc/75/41/44/565754144.db2.gz VAKWWPGSOPDYGW-CYBMUJFWSA-N 0 1 384.864 2.988 20 0 GFADMN O=C([C@H]1CCc2cc(Br)ccc21)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000649219240 565754836 /nfs/dbraw/zinc/75/48/36/565754836.db2.gz ZPOLIPMLFZKARC-FZMZJTMJSA-N 0 1 392.253 2.974 20 0 GFADMN O=C(CCCN1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000649284411 565756880 /nfs/dbraw/zinc/75/68/80/565756880.db2.gz UYVSFWZFTLKUDR-PKOBYXMFSA-N 0 1 395.341 2.943 20 0 GFADMN CC1(C)NC(=O)N(CCNC2(c3ccccc3Br)CCC2)C1=O ZINC000649646869 565771790 /nfs/dbraw/zinc/77/17/90/565771790.db2.gz USYJOHKRMVPZPU-UHFFFAOYSA-N 0 1 380.286 2.748 20 0 GFADMN COC(=O)C[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)c1cccs1 ZINC000601298651 565775072 /nfs/dbraw/zinc/77/50/72/565775072.db2.gz PVDWTORMUFHOQQ-VIFPVBQESA-N 0 1 390.870 2.850 20 0 GFADMN CNC(=O)[C@H]1CCC[C@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000671627975 565776855 /nfs/dbraw/zinc/77/68/55/565776855.db2.gz 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565799391 /nfs/dbraw/zinc/79/93/91/565799391.db2.gz QOFXDOOGQBQIOK-MJBXVCDLSA-N 0 1 396.329 2.509 20 0 GFADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1c2ccc(Br)cc2nn1C ZINC000650155862 565800524 /nfs/dbraw/zinc/80/05/24/565800524.db2.gz HHGDEFFAPADMSN-UTUOFQBUSA-N 0 1 379.302 2.889 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)Cc2ccc(Br)cc2F)CC1 ZINC000628904859 565813939 /nfs/dbraw/zinc/81/39/39/565813939.db2.gz ZAGISJUVQOZOTF-UHFFFAOYSA-N 0 1 399.304 2.844 20 0 GFADMN CO[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCOC1 ZINC000628969015 565817628 /nfs/dbraw/zinc/81/76/28/565817628.db2.gz JESIQZLWZBSYTP-KCXAZCMYSA-N 0 1 375.296 2.764 20 0 GFADMN CN(C)C[C@H](NC(=O)COCc1ccnn1C)c1ccc(Cl)c(Cl)c1 ZINC000628968591 565817657 /nfs/dbraw/zinc/81/76/57/565817657.db2.gz IGMIVQMITJDBAD-INIZCTEOSA-N 0 1 385.295 2.663 20 0 GFADMN CC1(C)CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[N@H+]1CCO ZINC000672903522 565821871 /nfs/dbraw/zinc/82/18/71/565821871.db2.gz PAWHLLDCVIIMKP-CYBMUJFWSA-N 0 1 388.295 2.525 20 0 GFADMN CC1(C)CN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCN1CCO ZINC000672903522 565821873 /nfs/dbraw/zinc/82/18/73/565821873.db2.gz PAWHLLDCVIIMKP-CYBMUJFWSA-N 0 1 388.295 2.525 20 0 GFADMN CCc1ccncc1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000650492778 565824651 /nfs/dbraw/zinc/82/46/51/565824651.db2.gz YXBCNVHDDZJQNO-UHFFFAOYSA-N 0 1 388.898 2.643 20 0 GFADMN O=C(NCCN1CC[C@@H](O)C1)C1(c2ccccc2Br)CCCCC1 ZINC000629168512 565827122 /nfs/dbraw/zinc/82/71/22/565827122.db2.gz JZXKTIQRFYSJKD-OAHLLOKOSA-N 0 1 395.341 2.834 20 0 GFADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)Oc1ccc(I)cc1 ZINC000602175012 565827762 /nfs/dbraw/zinc/82/77/62/565827762.db2.gz YZDMKUUQWBZYLP-NSHDSACASA-N 0 1 399.232 2.749 20 0 GFADMN CCO[C@@H](CS(=O)(=O)Nc1ccccc1Sc1nncn1C)C1CC1 ZINC000629286388 565833854 /nfs/dbraw/zinc/83/38/54/565833854.db2.gz NQDUOKRUWSBGLH-AWEZNQCLSA-N 0 1 382.511 2.523 20 0 GFADMN Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000629373057 565849350 /nfs/dbraw/zinc/84/93/50/565849350.db2.gz JGUOQMHDXLAUPX-INIZCTEOSA-N 0 1 393.285 2.813 20 0 GFADMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000629379471 565849666 /nfs/dbraw/zinc/84/96/66/565849666.db2.gz YFFKAVGTTMXCTA-TZMCWYRMSA-N 0 1 393.285 2.546 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)c2nc(SC)ncc2Cl)CC1 ZINC000629417635 565850897 /nfs/dbraw/zinc/85/08/97/565850897.db2.gz OWZMTTWFCPREMF-UHFFFAOYSA-N 0 1 384.933 2.569 20 0 GFADMN Cn1ncc(C(=O)OC(C)(C)C)c1CNCCCn1cc(Br)cn1 ZINC000602662230 565860643 /nfs/dbraw/zinc/86/06/43/565860643.db2.gz MFHWEKJAFIYYFD-UHFFFAOYSA-N 0 1 398.305 2.514 20 0 GFADMN CCc1cccc(OC[C@H](O)CNCc2cc(Br)cnc2OC)c1 ZINC000629593600 565861563 /nfs/dbraw/zinc/86/15/63/565861563.db2.gz RXLXRQHXIZDJMK-MRXNPFEDSA-N 0 1 395.297 2.945 20 0 GFADMN CCN1C[C@@H](CNc2ccnc3cc(OC)c(Br)cc32)CC1=O ZINC000651423221 565862633 /nfs/dbraw/zinc/86/26/33/565862633.db2.gz CWWZYBXZKUYKAH-LLVKDONJSA-N 0 1 378.270 2.708 20 0 GFADMN CCOC(=O)[C@]1(CNCc2ncc(Br)cc2Cl)CCCOC1 ZINC000602744329 565866194 /nfs/dbraw/zinc/86/61/94/565866194.db2.gz JMLFMVGRTUNALW-HNNXBMFYSA-N 0 1 391.693 2.947 20 0 GFADMN CN(CC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CCC1 ZINC000629987598 565877804 /nfs/dbraw/zinc/87/78/04/565877804.db2.gz UVTQPGMWQBDCOZ-UHFFFAOYSA-N 0 1 379.258 2.600 20 0 GFADMN CCc1nc([C@H](C)NC(=O)[C@H]2CCOc3ccc(Br)cc32)n[nH]1 ZINC000651610276 565878917 /nfs/dbraw/zinc/87/89/17/565878917.db2.gz AKKCHESJZMRVOD-ONGXEEELSA-N 0 1 379.258 2.873 20 0 GFADMN Cc1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)c1Br ZINC000651610530 565878999 /nfs/dbraw/zinc/87/89/99/565878999.db2.gz KMURETRGPYLGJJ-LLVKDONJSA-N 0 1 388.693 2.560 20 0 GFADMN CCC[C@H](C(=O)OCC)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000603202298 565889939 /nfs/dbraw/zinc/88/99/39/565889939.db2.gz SOXJDMAMMHVOSE-HUUCEWRRSA-N 0 1 381.274 2.993 20 0 GFADMN CCCC[C@@H](C(=O)OC)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000603202821 565890122 /nfs/dbraw/zinc/89/01/22/565890122.db2.gz YNVMACOFQTZSCJ-LSDHHAIUSA-N 0 1 381.274 2.993 20 0 GFADMN CCOC(=O)c1ncc(Cn2cc([C@@H](N)c3ccc(Cl)cc3)nn2)s1 ZINC000603243378 565892102 /nfs/dbraw/zinc/89/21/02/565892102.db2.gz AGJBUIKFKZKERY-AWEZNQCLSA-N 0 1 377.857 2.661 20 0 GFADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000630454973 565904812 /nfs/dbraw/zinc/90/48/12/565904812.db2.gz ZYYOGXMXQLEBLD-GFCCVEGCSA-N 0 1 377.229 2.756 20 0 GFADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630592608 565910272 /nfs/dbraw/zinc/91/02/72/565910272.db2.gz UMNSODVXERTWTP-ZDUSSCGKSA-N 0 1 378.245 2.988 20 0 GFADMN COC(=O)C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1cccs1 ZINC000604277078 565927121 /nfs/dbraw/zinc/92/71/21/565927121.db2.gz GIESAFRVZUNNJF-NSHDSACASA-N 0 1 379.381 2.748 20 0 GFADMN CN(C)CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)C(C)(C)C ZINC000604726876 565935330 /nfs/dbraw/zinc/93/53/30/565935330.db2.gz XWXDKWIZTHXYHI-ZDUSSCGKSA-N 0 1 394.990 2.799 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000676410428 565936191 /nfs/dbraw/zinc/93/61/91/565936191.db2.gz 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O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ncc[nH]1 ZINC000631726880 565969896 /nfs/dbraw/zinc/96/98/96/565969896.db2.gz SEPIRCXIEOMWHL-GFCCVEGCSA-N 0 1 389.264 2.508 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)Nc1ccc(F)cc1Br ZINC000653944401 565988835 /nfs/dbraw/zinc/98/88/35/565988835.db2.gz LYJLLIVBKIEBEN-LLVKDONJSA-N 0 1 384.209 2.880 20 0 GFADMN O=S(=O)(c1ncc[nH]1)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000632227713 566012667 /nfs/dbraw/zinc/01/26/67/566012667.db2.gz GBMVHSAUSYRWPD-GFCCVEGCSA-N 0 1 377.413 2.907 20 0 GFADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2sc(C)cc2Br)n[nH]1 ZINC000632394801 566027798 /nfs/dbraw/zinc/02/77/98/566027798.db2.gz ZZOJLJFJFINYCI-QMMMGPOBSA-N 0 1 378.317 2.760 20 0 GFADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)n[nH]1 ZINC000632395758 566028606 /nfs/dbraw/zinc/02/86/06/566028606.db2.gz TZUDPAWWDPKYIE-SECBINFHSA-N 0 1 381.351 2.665 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000632408130 566029870 /nfs/dbraw/zinc/02/98/70/566029870.db2.gz 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Fc1cc2ncnc(N3CCN(C[C@H]4CCCO4)CC3)c2cc1Br ZINC000680827025 566082958 /nfs/dbraw/zinc/08/29/58/566082958.db2.gz AUTKKMQCEZMEIY-GFCCVEGCSA-N 0 1 395.276 2.832 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CNC[C@@H]1CCCS1(=O)=O ZINC000655747200 566085858 /nfs/dbraw/zinc/08/58/58/566085858.db2.gz BQUINWCSNCDUMD-INIZCTEOSA-N 0 1 398.326 2.610 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CNCC1(S(C)(=O)=O)CC1 ZINC000655769115 566088162 /nfs/dbraw/zinc/08/81/62/566088162.db2.gz VSQXZZYJRFHTAL-UHFFFAOYSA-N 0 1 398.326 2.610 20 0 GFADMN CCNC(=O)C(C)(C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655792824 566089620 /nfs/dbraw/zinc/08/96/20/566089620.db2.gz QKGWCHJNRBIPRH-UHFFFAOYSA-N 0 1 379.302 2.948 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824928 566091493 /nfs/dbraw/zinc/09/14/93/566091493.db2.gz ZXGQKKWFVMIRQV-KFWWJZLASA-N 0 1 388.961 2.721 20 0 GFADMN COc1cc(Br)c(CNCc2n[nH]c([C@@H]3CCCO3)n2)c(OC)c1 ZINC000655819766 566091789 /nfs/dbraw/zinc/09/17/89/566091789.db2.gz SUWACQAKWMOXIR-ZDUSSCGKSA-N 0 1 397.273 2.726 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1oc2ccccc2c1Br ZINC000633255820 566091952 /nfs/dbraw/zinc/09/19/52/566091952.db2.gz DQJWJIWMJPLXCP-GFCCVEGCSA-N 0 1 381.270 2.772 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1cscc1Br ZINC000633529307 566107814 /nfs/dbraw/zinc/10/78/14/566107814.db2.gz GZVHRRAYQFGSII-AWEZNQCLSA-N 0 1 392.282 2.755 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN(CCO)[C@@H]1CCO[C@H]1C ZINC000656262924 566120838 /nfs/dbraw/zinc/12/08/38/566120838.db2.gz VKEMQYHXBWDODU-WMLDXEAASA-N 0 1 394.313 2.915 20 0 GFADMN CN(C)Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)cn1 ZINC000633781861 566124729 /nfs/dbraw/zinc/12/47/29/566124729.db2.gz LQTLOSPQHFRAAL-BPQIPLTHSA-N 0 1 386.293 2.974 20 0 GFADMN C[C@H](CC(=O)N1CCN(CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000682006174 566139492 /nfs/dbraw/zinc/13/94/92/566139492.db2.gz HFNYXNFUEMMNNK-CQSZACIVSA-N 0 1 383.330 2.858 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000682256184 566147865 /nfs/dbraw/zinc/14/78/65/566147865.db2.gz YGLCWCDUACTLGZ-AWEZNQCLSA-N 0 1 380.432 2.877 20 0 GFADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612014621 566149386 /nfs/dbraw/zinc/14/93/86/566149386.db2.gz BOGQLWWPPUQXNL-DOMZBBRYSA-N 0 1 388.225 2.832 20 0 GFADMN O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@H]1CN1CCCCC1 ZINC000682367906 566151035 /nfs/dbraw/zinc/15/10/35/566151035.db2.gz DKIMUURECUMHAD-ZDUSSCGKSA-N 0 1 377.432 2.739 20 0 GFADMN Cc1cc(Cc2nnc(N(C)Cc3ccccc3Br)n2C)[nH]n1 ZINC000634319804 566153154 /nfs/dbraw/zinc/15/31/54/566153154.db2.gz LHOWBHYZPLBZNR-UHFFFAOYSA-N 0 1 375.274 2.836 20 0 GFADMN CSc1ccc(Cl)c(NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000656658873 566153257 /nfs/dbraw/zinc/15/32/57/566153257.db2.gz OIAQHGLJOJEHNE-CQSZACIVSA-N 0 1 385.961 2.947 20 0 GFADMN CN(C)c1ccnc(NC(=O)Cc2ccccc2I)c1 ZINC000612346541 566158687 /nfs/dbraw/zinc/15/86/87/566158687.db2.gz VWLBHHFLNKLRAE-UHFFFAOYSA-N 0 1 381.217 2.933 20 0 GFADMN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N1CCOC[C@H]1C1CC1 ZINC000682540249 566161605 /nfs/dbraw/zinc/16/16/05/566161605.db2.gz LXEURCRQUAUIEE-WBMJQRKESA-N 0 1 397.313 2.746 20 0 GFADMN Cc1[nH]n(Cc2cccc(Cl)c2Cl)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000634623760 566162023 /nfs/dbraw/zinc/16/20/23/566162023.db2.gz OAIDZNFPBINKIX-YPMHNXCESA-N 0 1 375.277 2.762 20 0 GFADMN CC(C)OCCN1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645380 566163146 /nfs/dbraw/zinc/16/31/46/566163146.db2.gz MLTSCHPFJUWUGD-QGZVFWFLSA-N 0 1 391.339 2.776 20 0 GFADMN Cc1nn(C)c(S(=O)(=O)Nc2nc(C)ccc2Br)c1C(F)F ZINC000656739185 566164056 /nfs/dbraw/zinc/16/40/56/566164056.db2.gz AAKRHDCGZVIDQA-UHFFFAOYSA-N 0 1 395.229 2.933 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000612515655 566164358 /nfs/dbraw/zinc/16/43/58/566164358.db2.gz MHGPZVNXJWGBIU-ONGXEEELSA-N 0 1 381.249 2.874 20 0 GFADMN CC(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000612744651 566172668 /nfs/dbraw/zinc/17/26/68/566172668.db2.gz 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ZINC000683618370 566205782 /nfs/dbraw/zinc/20/57/82/566205782.db2.gz ZPPBSFBURXNTKK-UHFFFAOYSA-N 0 1 381.299 2.910 20 0 GFADMN O=S(=O)(Cc1ccc(Br)cc1)Nc1cnn(-c2ccncc2)c1 ZINC000683708084 566210069 /nfs/dbraw/zinc/21/00/69/566210069.db2.gz OMMFTYPSCULKDK-UHFFFAOYSA-N 0 1 393.266 2.972 20 0 GFADMN CN(CCn1cc(Br)c2ncncc2c1=O)Cc1ccc(F)cc1 ZINC000683736380 566211251 /nfs/dbraw/zinc/21/12/51/566211251.db2.gz KIEAGFIVRYJJFP-UHFFFAOYSA-N 0 1 391.244 2.825 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635462276 566214420 /nfs/dbraw/zinc/21/44/20/566214420.db2.gz OOGFNAUDJGKGHC-MRXNPFEDSA-N 0 1 394.313 2.829 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000635459335 566214431 /nfs/dbraw/zinc/21/44/31/566214431.db2.gz ICPOSQBMRLTDGZ-IIAWOOMASA-N 0 1 376.254 2.876 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1Cl ZINC000657060072 566214978 /nfs/dbraw/zinc/21/49/78/566214978.db2.gz CTUYFJVSEPQYMJ-LLVKDONJSA-N 0 1 391.896 2.589 20 0 GFADMN Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000657063591 566216230 /nfs/dbraw/zinc/21/62/30/566216230.db2.gz ZQXGQFIYGCPDFJ-SNVBAGLBSA-N 0 1 381.361 2.970 20 0 GFADMN O=C(CCCc1nn[nH]n1)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000635657939 566221595 /nfs/dbraw/zinc/22/15/95/566221595.db2.gz ROIAAPBURHQLSE-UHFFFAOYSA-N 0 1 378.647 2.678 20 0 GFADMN Cc1c(Br)ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1F ZINC000684127163 566228749 /nfs/dbraw/zinc/22/87/49/566228749.db2.gz IMXPSTKSGUUWBX-CQSZACIVSA-N 0 1 390.216 2.929 20 0 GFADMN C[C@@H](C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F)N(C)C ZINC000684527856 566237531 /nfs/dbraw/zinc/23/75/31/566237531.db2.gz CPWLPJTZWXSJSU-QPUJVOFHSA-N 0 1 383.208 2.568 20 0 GFADMN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736399923 598825806 /nfs/dbraw/zinc/82/58/06/598825806.db2.gz LZOSMETYOFBDGK-HNNXBMFYSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736399923 598825807 /nfs/dbraw/zinc/82/58/07/598825807.db2.gz LZOSMETYOFBDGK-HNNXBMFYSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736399923 598825808 /nfs/dbraw/zinc/82/58/08/598825808.db2.gz LZOSMETYOFBDGK-HNNXBMFYSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736399923 598825809 /nfs/dbraw/zinc/82/58/09/598825809.db2.gz LZOSMETYOFBDGK-HNNXBMFYSA-N 0 1 397.483 2.553 20 0 GFADMN CCO[C@H]1C[C@@H](N(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608248 598954555 /nfs/dbraw/zinc/95/45/55/598954555.db2.gz BUBSHJUAKHWSRT-MSOLQXFVSA-N 0 1 381.484 2.823 20 0 GFADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC1([NH+]2CCSCC2)CCCC1 ZINC000738435931 598959608 /nfs/dbraw/zinc/95/96/08/598959608.db2.gz FNOUOQKNWACWAL-UHFFFAOYSA-N 0 1 396.524 2.583 20 0 GFADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC1([NH+]2CCSCC2)CCCC1 ZINC000738435931 598959609 /nfs/dbraw/zinc/95/96/09/598959609.db2.gz FNOUOQKNWACWAL-UHFFFAOYSA-N 0 1 396.524 2.583 20 0 GFADMN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076341 598959702 /nfs/dbraw/zinc/95/97/02/598959702.db2.gz QGQHHDYPTHSAHJ-KDOFPFPSSA-N 0 1 392.463 2.640 20 0 GFADMN C[C@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736288078 598988672 /nfs/dbraw/zinc/98/86/72/598988672.db2.gz QOGXKIWWVCMBSC-BLLLJJGKSA-N 0 1 390.463 2.741 20 0 GFADMN O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738159308 599025981 /nfs/dbraw/zinc/02/59/81/599025981.db2.gz NZXUANHNQXIEPR-UHFFFAOYSA-N 0 1 377.452 2.890 20 0 GFADMN O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738159308 599025983 /nfs/dbraw/zinc/02/59/83/599025983.db2.gz NZXUANHNQXIEPR-UHFFFAOYSA-N 0 1 377.452 2.890 20 0 GFADMN CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)[C@@H](c2ccccc2)C1 ZINC000736867136 599039635 /nfs/dbraw/zinc/03/96/35/599039635.db2.gz JJUZVCWJVPRWFM-CQSZACIVSA-N 0 1 389.385 2.774 20 0 GFADMN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738345453 599042459 /nfs/dbraw/zinc/04/24/59/599042459.db2.gz MTCPHBZXGHCWAH-UHFFFAOYSA-N 0 1 389.746 2.738 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)c2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000737185661 599055844 /nfs/dbraw/zinc/05/58/44/599055844.db2.gz ATENNQJJCMIBPF-LLVKDONJSA-N 0 1 384.465 2.531 20 0 GFADMN C[C@@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736284551 599144568 /nfs/dbraw/zinc/14/45/68/599144568.db2.gz AVVJNEZCPURSNF-UZLBHIALSA-N 0 1 390.491 2.609 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823379719 599208542 /nfs/dbraw/zinc/20/85/42/599208542.db2.gz FZLQTSQYTDTDFZ-UHFFFAOYSA-N 0 1 384.197 2.758 20 0 GFADMN C[C@H]1CN2CCCC[C@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295825 599221707 /nfs/dbraw/zinc/22/17/07/599221707.db2.gz YTHAYMKPKGVWPR-AAEUAGOBSA-N 0 1 391.932 2.776 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000819385265 597046201 /nfs/dbraw/zinc/04/62/01/597046201.db2.gz LBMBXYGXSSTQAT-GFCCVEGCSA-N 0 1 379.254 2.908 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000819375556 597072791 /nfs/dbraw/zinc/07/27/91/597072791.db2.gz PVIJBMPXAPQMRM-GOEBONIOSA-N 0 1 385.420 2.737 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000819375556 597072793 /nfs/dbraw/zinc/07/27/93/597072793.db2.gz PVIJBMPXAPQMRM-GOEBONIOSA-N 0 1 385.420 2.737 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000532712179 597087583 /nfs/dbraw/zinc/08/75/83/597087583.db2.gz SCXHVDUBGKYVGO-LLVKDONJSA-N 0 1 376.350 2.647 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccccc3CC(=O)[O-])C2)nc(C)[nH+]1 ZINC000818829651 597326541 /nfs/dbraw/zinc/32/65/41/597326541.db2.gz HNZKJEGOTRSGCI-MRXNPFEDSA-N 0 1 383.452 2.511 20 0 GFADMN Cc1c(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cccc1-c1nn[nH]n1 ZINC000822095690 607284957 /nfs/dbraw/zinc/28/49/57/607284957.db2.gz GSDQMSQYVIKEPU-CQSZACIVSA-N 0 1 391.479 2.743 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000735961927 599265820 /nfs/dbraw/zinc/26/58/20/599265820.db2.gz WZQVAPFYUDBUJW-LLVKDONJSA-N 0 1 388.476 2.796 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000735961927 599265822 /nfs/dbraw/zinc/26/58/22/599265822.db2.gz WZQVAPFYUDBUJW-LLVKDONJSA-N 0 1 388.476 2.796 20 0 GFADMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000736009597 599267958 /nfs/dbraw/zinc/26/79/58/599267958.db2.gz HPAMEFOACGFYRR-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000735562168 598251500 /nfs/dbraw/zinc/25/15/00/598251500.db2.gz NZTGVJXJPCCHKX-DZGCQCFKSA-N 0 1 380.427 2.822 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000735562171 598251512 /nfs/dbraw/zinc/25/15/12/598251512.db2.gz NZTGVJXJPCCHKX-UKRRQHHQSA-N 0 1 380.427 2.822 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nccnc2-c2nnn[n-]2)C1 ZINC000736227555 598345228 /nfs/dbraw/zinc/34/52/28/598345228.db2.gz LKORNERBJCEJBY-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2nccnc2-c2nnn[n-]2)C1 ZINC000736227555 598345230 /nfs/dbraw/zinc/34/52/30/598345230.db2.gz LKORNERBJCEJBY-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2nccnc2-c2nn[n-]n2)C1 ZINC000736227555 598345232 /nfs/dbraw/zinc/34/52/32/598345232.db2.gz LKORNERBJCEJBY-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2nccnc2-c2nn[n-]n2)C1 ZINC000736227555 598345233 /nfs/dbraw/zinc/34/52/33/598345233.db2.gz LKORNERBJCEJBY-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN Cc1ccc2nc(SC[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000737372739 598363490 /nfs/dbraw/zinc/36/34/90/598363490.db2.gz IVZDMXAJNJCOOR-ZDUSSCGKSA-N 0 1 382.449 2.583 20 0 GFADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1nc2ccccc2o1 ZINC000736288782 598364783 /nfs/dbraw/zinc/36/47/83/598364783.db2.gz UHRLUTXBSOIFQL-AWEZNQCLSA-N 0 1 375.436 2.719 20 0 GFADMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737073903 598453682 /nfs/dbraw/zinc/45/36/82/598453682.db2.gz VEOMUAKHBSKWQS-NEPJUHHUSA-N 0 1 384.415 2.692 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cc(Cl)ccc1F ZINC000737982132 598503590 /nfs/dbraw/zinc/50/35/90/598503590.db2.gz NRLASENMLGMLDF-UHFFFAOYSA-N 0 1 398.785 2.613 20 0 GFADMN Cc1[nH]ncc1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737201823 598550208 /nfs/dbraw/zinc/55/02/08/598550208.db2.gz JEWYVIUIGSHANF-UHFFFAOYSA-N 0 1 375.392 2.730 20 0 GFADMN O=C1C[C@@H](N2CCC3(CCCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302415 598618337 /nfs/dbraw/zinc/61/83/37/598618337.db2.gz WILPMPTZWYARMV-QGZVFWFLSA-N 0 1 394.479 2.545 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135839 598712298 /nfs/dbraw/zinc/71/22/98/598712298.db2.gz YTRDGDMGTDZTKG-BLLLJJGKSA-N 0 1 382.855 2.976 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)Nc1cccc(F)c1 ZINC000737980315 598721868 /nfs/dbraw/zinc/72/18/68/598721868.db2.gz BZADWBOVGREIIL-UHFFFAOYSA-N 0 1 398.785 2.613 20 0 GFADMN O=C(c1ccc(O)c(Cl)c1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738269812 598778427 /nfs/dbraw/zinc/77/84/27/598778427.db2.gz YJYMGMOOZSKZOG-UHFFFAOYSA-N 0 1 399.838 2.909 20 0 GFADMN C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735984841 598813219 /nfs/dbraw/zinc/81/32/19/598813219.db2.gz CWFXSYFWGBRQDR-CYBMUJFWSA-N 0 1 398.442 2.868 20 0 GFADMN C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735984841 598813221 /nfs/dbraw/zinc/81/32/21/598813221.db2.gz CWFXSYFWGBRQDR-CYBMUJFWSA-N 0 1 398.442 2.868 20 0 GFADMN Cc1cnn(CCCCCN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737449385 598813295 /nfs/dbraw/zinc/81/32/95/598813295.db2.gz XDXAVLCWDUCLSH-UHFFFAOYSA-N 0 1 398.490 2.503 20 0 GFADMN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667201 599391811 /nfs/dbraw/zinc/39/18/11/599391811.db2.gz ZMABXRQLBJKULK-DGCLKSJQSA-N 0 1 396.451 2.520 20 0 GFADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357286 599406603 /nfs/dbraw/zinc/40/66/03/599406603.db2.gz FNLJYJRKXIXUJC-LRDDRELGSA-N 0 1 385.497 2.591 20 0 GFADMN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2F)cc1-c1nn[nH]n1 ZINC000821719916 599439459 /nfs/dbraw/zinc/43/94/59/599439459.db2.gz JLCCXJCOUNGXLR-LLVKDONJSA-N 0 1 387.415 2.882 20 0 GFADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234763 599477600 /nfs/dbraw/zinc/47/76/00/599477600.db2.gz KIWNBGKPQYLDQG-CJNGLKHVSA-N 0 1 380.427 2.822 20 0 GFADMN CN(C[C@H]1CCCN1Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC(C)(C)C ZINC000821596373 599591522 /nfs/dbraw/zinc/59/15/22/599591522.db2.gz IHPJSFNISODJNC-OAHLLOKOSA-N 0 1 390.463 2.837 20 0 GFADMN Cc1ccc2nc(CNC(=O)Nc3cc(-c4nn[nH]n4)cn3C(C)(C)C)[nH]c2c1 ZINC000822271332 599648284 /nfs/dbraw/zinc/64/82/84/599648284.db2.gz XMSKXWHQCYLVSL-UHFFFAOYSA-N 0 1 393.455 2.930 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736789475 599770870 /nfs/dbraw/zinc/77/08/70/599770870.db2.gz NMLWODMVCHMRRJ-CQSZACIVSA-N 0 1 392.477 2.831 20 0 GFADMN Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000738761245 599777295 /nfs/dbraw/zinc/77/72/95/599777295.db2.gz RHUXRMZHTJSLSK-QFIPXVFZSA-N 0 1 395.459 2.696 20 0 GFADMN Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000738761245 599777297 /nfs/dbraw/zinc/77/72/97/599777297.db2.gz RHUXRMZHTJSLSK-QFIPXVFZSA-N 0 1 395.459 2.696 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952971 599784831 /nfs/dbraw/zinc/78/48/31/599784831.db2.gz YPJMFQMWDYMTPI-HOTGVXAUSA-N 0 1 389.496 2.649 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952971 599784833 /nfs/dbraw/zinc/78/48/33/599784833.db2.gz YPJMFQMWDYMTPI-HOTGVXAUSA-N 0 1 389.496 2.649 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000738516753 599785712 /nfs/dbraw/zinc/78/57/12/599785712.db2.gz BARZFQQUCOSRTB-CVEARBPZSA-N 0 1 389.496 2.504 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000738516753 599785714 /nfs/dbraw/zinc/78/57/14/599785714.db2.gz BARZFQQUCOSRTB-CVEARBPZSA-N 0 1 389.496 2.504 20 0 GFADMN O=C([O-])N1CCC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000739924768 599834042 /nfs/dbraw/zinc/83/40/42/599834042.db2.gz MCNNBGFOYZMMOK-CRAIPNDOSA-N 0 1 399.413 2.700 20 0 GFADMN Cc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)c1 ZINC000584356623 599864172 /nfs/dbraw/zinc/86/41/72/599864172.db2.gz WFBKOMOTUCXNQY-INIZCTEOSA-N 0 1 379.403 2.908 20 0 GFADMN Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000569701234 599865572 /nfs/dbraw/zinc/86/55/72/599865572.db2.gz ZYDJRDJXWMTBGZ-INIZCTEOSA-N 0 1 379.403 2.908 20 0 GFADMN 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ZINC000830755775 601022744 /nfs/dbraw/zinc/02/27/44/601022744.db2.gz BSOZCGWDHBYYEI-ZDUSSCGKSA-N 0 1 379.526 2.680 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@H](C)C1 ZINC000829760205 601027764 /nfs/dbraw/zinc/02/77/64/601027764.db2.gz OKKOJZLUNYGQTN-HIFRSBDPSA-N 0 1 393.553 2.926 20 0 GFADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164530931 601029051 /nfs/dbraw/zinc/02/90/51/601029051.db2.gz FQGLLXOTZCFJJH-WOPDTQHZSA-N 0 1 375.494 2.967 20 0 GFADMN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164530931 601029054 /nfs/dbraw/zinc/02/90/54/601029054.db2.gz FQGLLXOTZCFJJH-WOPDTQHZSA-N 0 1 375.494 2.967 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000831897682 601083921 /nfs/dbraw/zinc/08/39/21/601083921.db2.gz VWLAHCIYBARHGK-UHFFFAOYSA-N 0 1 399.447 2.752 20 0 GFADMN C[C@H](C[N@H+](Cc1ccccc1)Cn1cc(I)cn1)C(=O)[O-] ZINC000736582504 601088522 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ASVBJTDNCXNQNE-GFCCVEGCSA-N 0 1 384.274 2.852 20 0 GFADMN COCC[N@@H+]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000831744065 602014414 /nfs/dbraw/zinc/01/44/14/602014414.db2.gz FOMBNUOWWZPGKU-LLVKDONJSA-N 0 1 389.374 2.588 20 0 GFADMN COCC[N@H+]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000831744065 602014415 /nfs/dbraw/zinc/01/44/15/602014415.db2.gz FOMBNUOWWZPGKU-LLVKDONJSA-N 0 1 389.374 2.588 20 0 GFADMN O=C([O-])Nc1ccc(F)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000740704810 602026411 /nfs/dbraw/zinc/02/64/11/602026411.db2.gz FIRIGSOVVUTIBL-UHFFFAOYSA-N 0 1 386.427 2.672 20 0 GFADMN O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1F ZINC000833283106 602101284 /nfs/dbraw/zinc/10/12/84/602101284.db2.gz NZDVPNFLVHIAAR-GDBMZVCRSA-N 0 1 380.420 2.681 20 0 GFADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739330648 602178232 /nfs/dbraw/zinc/17/82/32/602178232.db2.gz SJGBZPOQFMJYIY-WMZOPIPTSA-N 0 1 382.549 2.918 20 0 GFADMN 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CC(C)N(CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000739185915 602355595 /nfs/dbraw/zinc/35/55/95/602355595.db2.gz RCZBUBGPLBHHTG-IAGOWNOFSA-N 0 1 391.512 2.804 20 0 GFADMN Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](CN(C)C(=O)[O-])C3)c2C)no1 ZINC000740054264 602380426 /nfs/dbraw/zinc/38/04/26/602380426.db2.gz KAZAWLAZMZMQEG-INIZCTEOSA-N 0 1 388.468 2.895 20 0 GFADMN Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](CN(C)C(=O)[O-])C3)c2C)no1 ZINC000740054264 602380430 /nfs/dbraw/zinc/38/04/30/602380430.db2.gz KAZAWLAZMZMQEG-INIZCTEOSA-N 0 1 388.468 2.895 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)nc(C)[nH+]1 ZINC000832891232 602383275 /nfs/dbraw/zinc/38/32/75/602383275.db2.gz MZIAGMQBWCDNBE-AWEZNQCLSA-N 0 1 387.415 2.721 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000830000848 602384308 /nfs/dbraw/zinc/38/43/08/602384308.db2.gz MXSLRNYUASRUOC-SUMWQHHRSA-N 0 1 381.448 2.782 20 0 GFADMN 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0 1 388.493 2.989 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@H](CN(C)C(=O)[O-])C3)c2)cs1 ZINC000740209580 602541772 /nfs/dbraw/zinc/54/17/72/602541772.db2.gz MLDQRXMEEMUPFF-CQSZACIVSA-N 0 1 388.493 2.989 20 0 GFADMN CN(C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000739649691 602625190 /nfs/dbraw/zinc/62/51/90/602625190.db2.gz LIKRAYISIJTAHJ-RBUKOAKNSA-N 0 1 388.512 2.540 20 0 GFADMN CN(C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000739652163 602625648 /nfs/dbraw/zinc/62/56/48/602625648.db2.gz XCPXYTDKQBZHEP-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)C1 ZINC000738855330 602637013 /nfs/dbraw/zinc/63/70/13/602637013.db2.gz UUAVEBZAKVZSMV-SQNIBIBYSA-N 0 1 380.533 2.671 20 0 GFADMN C[C@@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000739104169 602697529 /nfs/dbraw/zinc/69/75/29/602697529.db2.gz KPXLZSLKRTWDTA-CVEARBPZSA-N 0 1 376.501 2.653 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC[C@@H]1NC(=O)[O-] ZINC000739169947 602791051 /nfs/dbraw/zinc/79/10/51/602791051.db2.gz GLKMDQGYSHVFNZ-ZFWWWQNUSA-N 0 1 387.402 2.556 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC[C@@H]1NC(=O)[O-] ZINC000739169947 602791052 /nfs/dbraw/zinc/79/10/52/602791052.db2.gz GLKMDQGYSHVFNZ-ZFWWWQNUSA-N 0 1 387.402 2.556 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1Br ZINC000740084112 602800570 /nfs/dbraw/zinc/80/05/70/602800570.db2.gz IYKVPOBHUANYED-FZMZJTMJSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1Br ZINC000740084112 602800574 /nfs/dbraw/zinc/80/05/74/602800574.db2.gz IYKVPOBHUANYED-FZMZJTMJSA-N 0 1 384.274 2.674 20 0 GFADMN C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[C@H]1NC(=O)[O-] ZINC000739133242 602813986 /nfs/dbraw/zinc/81/39/86/602813986.db2.gz GVQBJEPJFZUOJR-MAUKXSAKSA-N 0 1 388.512 2.511 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739188852 602833162 /nfs/dbraw/zinc/83/31/62/602833162.db2.gz KVVDNDBKFIXASV-MJGOQNOKSA-N 0 1 388.512 2.682 20 0 GFADMN CSCC[C@H](NC(=O)[O-])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000739999922 602850336 /nfs/dbraw/zinc/85/03/36/602850336.db2.gz SSQZVFMPYMTPGE-NJAFHUGGSA-N 0 1 393.553 2.887 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084861 602863296 /nfs/dbraw/zinc/86/32/96/602863296.db2.gz UNHDOALIPDUXRO-HZPDHXFCSA-N 0 1 391.516 2.882 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084861 602863298 /nfs/dbraw/zinc/86/32/98/602863298.db2.gz UNHDOALIPDUXRO-HZPDHXFCSA-N 0 1 391.516 2.882 20 0 GFADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000739966331 602899547 /nfs/dbraw/zinc/89/95/47/602899547.db2.gz WYOMZFSGPCYGKW-OLMMMNRUSA-N 0 1 389.496 2.868 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[C@@H]1NC(=O)[O-] ZINC000739149004 602918330 /nfs/dbraw/zinc/91/83/30/602918330.db2.gz YTLWQVOJXOUZJA-HOCLYGCPSA-N 0 1 392.525 2.745 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739144936 602922478 /nfs/dbraw/zinc/92/24/78/602922478.db2.gz IGNDRXOLSQRQCL-VKJFTORMSA-N 0 1 390.484 2.590 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[C@H]1NC(=O)[O-] ZINC000739140413 602931085 /nfs/dbraw/zinc/93/10/85/602931085.db2.gz VMDFVWRFMQRHAY-DAXOMENPSA-N 0 1 382.892 2.630 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])c2)C[C@@H](C)O1 ZINC000826069973 602969268 /nfs/dbraw/zinc/96/92/68/602969268.db2.gz XYCOOYTUNJQGPI-IIDMSEBBSA-N 0 1 375.469 2.767 20 0 GFADMN O=C([O-])N1CC[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000740497782 602979706 /nfs/dbraw/zinc/97/97/06/602979706.db2.gz AUSINFACISUGSE-GFCCVEGCSA-N 0 1 386.279 2.751 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739185489 603005954 /nfs/dbraw/zinc/00/59/54/603005954.db2.gz ACBXFJUPXGOSNP-NONVJHHQSA-N 0 1 375.469 2.671 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739185489 603005958 /nfs/dbraw/zinc/00/59/58/603005958.db2.gz ACBXFJUPXGOSNP-NONVJHHQSA-N 0 1 375.469 2.671 20 0 GFADMN O=C([O-])NC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000740533318 603086112 /nfs/dbraw/zinc/08/61/12/603086112.db2.gz LAHULZURRVDOOA-UHFFFAOYSA-N 0 1 393.487 2.526 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000738664634 603117504 /nfs/dbraw/zinc/11/75/04/603117504.db2.gz ILSDZTFJFUBQHI-HXUWFJFHSA-N 0 1 384.436 2.535 20 0 GFADMN C[C@H](c1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739058522 603197387 /nfs/dbraw/zinc/19/73/87/603197387.db2.gz QJNZOTASHZYRHB-QGPMSJSTSA-N 0 1 375.469 2.845 20 0 GFADMN COc1ccc(OCc2nc(C[NH2+][C@H]3CCCN(C(=O)[O-])C3)cs2)cc1 ZINC000738048499 603244730 /nfs/dbraw/zinc/24/47/30/603244730.db2.gz GZXAQTRYOVQESQ-ZDUSSCGKSA-N 0 1 377.466 2.963 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000740565581 603250356 /nfs/dbraw/zinc/25/03/56/603250356.db2.gz ROSWKAVPMMVQND-MJGOQNOKSA-N 0 1 385.508 2.862 20 0 GFADMN O=C([O-])N1CC[C@@H](C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 ZINC000740411554 603336152 /nfs/dbraw/zinc/33/61/52/603336152.db2.gz JKDMGCZJMZWGBN-GJZGRUSLSA-N 0 1 378.448 2.659 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000825639334 603392053 /nfs/dbraw/zinc/39/20/53/603392053.db2.gz SAUWUQRNRSOODW-UXPWSPDFSA-N 0 1 381.476 2.990 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000739491964 603399942 /nfs/dbraw/zinc/39/99/42/603399942.db2.gz KGWBXEWCKSKMLD-BBRMVZONSA-N 0 1 381.448 2.782 20 0 GFADMN 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605492414 /nfs/dbraw/zinc/49/24/14/605492414.db2.gz GISVFGUMEFMHGQ-RDJZCZTQSA-N 0 1 388.512 2.511 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000834026802 605521434 /nfs/dbraw/zinc/52/14/34/605521434.db2.gz MXWMURNEBFCZFN-TZMCWYRMSA-N 0 1 385.917 2.872 20 0 GFADMN C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCN(C(=O)[O-])CC1 ZINC000824570118 605536461 /nfs/dbraw/zinc/53/64/61/605536461.db2.gz BVCVTFNSAJQWIQ-SUMDDJOVSA-N 0 1 377.529 2.878 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000833815739 605603191 /nfs/dbraw/zinc/60/31/91/605603191.db2.gz WOMYLNOLLNQOCG-NWDGAFQWSA-N 0 1 381.839 2.928 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000833815739 605603195 /nfs/dbraw/zinc/60/31/95/605603195.db2.gz WOMYLNOLLNQOCG-NWDGAFQWSA-N 0 1 381.839 2.928 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000834030815 605687357 /nfs/dbraw/zinc/68/73/57/605687357.db2.gz XVRWNRANUNRPQN-WFASDCNBSA-N 0 1 385.917 2.872 20 0 GFADMN COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000833708830 605692494 /nfs/dbraw/zinc/69/24/94/605692494.db2.gz PTJDDCFJAFZSKO-QAPCUYQASA-N 0 1 384.432 2.507 20 0 GFADMN O=C([O-])N1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000834100626 605755980 /nfs/dbraw/zinc/75/59/80/605755980.db2.gz UGWKTBUCRCYHJD-LJQANCHMSA-N 0 1 385.508 2.891 20 0 GFADMN O=C([O-])N1CCC2(C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000834024536 605831584 /nfs/dbraw/zinc/83/15/84/605831584.db2.gz DJMGWROJQVLUQG-RBUKOAKNSA-N 0 1 385.508 2.795 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000834091422 605862449 /nfs/dbraw/zinc/86/24/49/605862449.db2.gz BSOFVCPZFNXJMU-UHFFFAOYSA-N 0 1 393.538 2.643 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000834091422 605862452 /nfs/dbraw/zinc/86/24/52/605862452.db2.gz BSOFVCPZFNXJMU-UHFFFAOYSA-N 0 1 393.538 2.643 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000833827349 605885962 /nfs/dbraw/zinc/88/59/62/605885962.db2.gz AVZNJTNGVYPYDH-WZRBSPASSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000834091973 605900754 /nfs/dbraw/zinc/90/07/54/605900754.db2.gz AQEMVQAAKIWSQI-HNNXBMFYSA-N 0 1 383.286 2.948 20 0 GFADMN O=C([O-])NC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc2ccccc2c1 ZINC000834205172 605974210 /nfs/dbraw/zinc/97/42/10/605974210.db2.gz DNPNGZJUPIOKQT-LJQANCHMSA-N 0 1 388.427 2.946 20 0 GFADMN O=C([O-])Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000834265585 605991489 /nfs/dbraw/zinc/99/14/89/605991489.db2.gz YLLNLOVXMDIDPK-LJQANCHMSA-N 0 1 383.448 2.663 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000833816192 605998412 /nfs/dbraw/zinc/99/84/12/605998412.db2.gz YGZUZHWMLCSYJV-NEPJUHHUSA-N 0 1 381.839 2.928 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000833816192 605998414 /nfs/dbraw/zinc/99/84/14/605998414.db2.gz YGZUZHWMLCSYJV-NEPJUHHUSA-N 0 1 381.839 2.928 20 0 GFADMN CC[N@@H+](CCC1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)CC1)CC1CC1 ZINC000833857025 606063868 /nfs/dbraw/zinc/06/38/68/606063868.db2.gz FEBIEKVZMXYOFX-UHFFFAOYSA-N 0 1 375.473 2.541 20 0 GFADMN CCC(CC)N(CCOC)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000820897557 606110231 /nfs/dbraw/zinc/11/02/31/606110231.db2.gz JOEBEUCSANQKBD-UHFFFAOYSA-N 0 1 380.518 2.621 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)N2CCCC2)o1 ZINC000822230801 606345991 /nfs/dbraw/zinc/34/59/91/606345991.db2.gz QSDDUSQKTQFSBD-MRXNPFEDSA-N 0 1 399.430 2.866 20 0 GFADMN Fc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cc1F ZINC000822778750 606413308 /nfs/dbraw/zinc/41/33/08/606413308.db2.gz NTFDPUNCSPZLQM-NSHDSACASA-N 0 1 376.436 2.823 20 0 GFADMN Fc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1F ZINC000822778750 606413309 /nfs/dbraw/zinc/41/33/09/606413309.db2.gz NTFDPUNCSPZLQM-NSHDSACASA-N 0 1 376.436 2.823 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000822731998 606489301 /nfs/dbraw/zinc/48/93/01/606489301.db2.gz HDVFTYLHUZXKOC-CQSZACIVSA-N 0 1 375.383 2.502 20 0 GFADMN Cc1cscc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822414624 606521607 /nfs/dbraw/zinc/52/16/07/606521607.db2.gz NRPVVBYIYKHIMK-UHFFFAOYSA-N 0 1 382.493 2.585 20 0 GFADMN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175315 606538469 /nfs/dbraw/zinc/53/84/69/606538469.db2.gz FNRWODZJINIDHR-OAHLLOKOSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175315 606538470 /nfs/dbraw/zinc/53/84/70/606538470.db2.gz FNRWODZJINIDHR-OAHLLOKOSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175315 606538471 /nfs/dbraw/zinc/53/84/71/606538471.db2.gz FNRWODZJINIDHR-OAHLLOKOSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175315 606538473 /nfs/dbraw/zinc/53/84/73/606538473.db2.gz FNRWODZJINIDHR-OAHLLOKOSA-N 0 1 382.493 2.570 20 0 GFADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820570445 606564367 /nfs/dbraw/zinc/56/43/67/606564367.db2.gz JXERQWBMUPHMKU-CYBMUJFWSA-N 0 1 382.493 2.884 20 0 GFADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820570445 606564369 /nfs/dbraw/zinc/56/43/69/606564369.db2.gz JXERQWBMUPHMKU-CYBMUJFWSA-N 0 1 382.493 2.884 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1-c1nn[nH]n1 ZINC000821970520 606600026 /nfs/dbraw/zinc/60/00/26/606600026.db2.gz PEFACRSARBIJQI-COPLHBTASA-N 0 1 388.497 2.730 20 0 GFADMN C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418566 606624282 /nfs/dbraw/zinc/62/42/82/606624282.db2.gz BJEWTHXXUMJIRH-SJCJKPOMSA-N 0 1 382.855 2.976 20 0 GFADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414352 606711950 /nfs/dbraw/zinc/71/19/50/606711950.db2.gz XXZADDQTQFMXDE-ZBEGNZNMSA-N 0 1 384.390 2.601 20 0 GFADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000819928606 606752972 /nfs/dbraw/zinc/75/29/72/606752972.db2.gz ROVJTRWXCOVIHB-CYBMUJFWSA-N 0 1 375.448 2.950 20 0 GFADMN C[C@H]1CC/C(=C/C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)C1 ZINC000820674663 606807220 /nfs/dbraw/zinc/80/72/20/606807220.db2.gz FNBGFOKKPRXUJF-UROBUVALSA-N 0 1 382.468 2.513 20 0 GFADMN Oc1ccccc1-c1n[nH]c(SCCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC000823733055 606838756 /nfs/dbraw/zinc/83/87/56/606838756.db2.gz SOOZDOFHSPXAMR-UHFFFAOYSA-N 0 1 395.448 2.919 20 0 GFADMN O=S(=O)(N[C@H]1CCCc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572648 606883394 /nfs/dbraw/zinc/88/33/94/606883394.db2.gz JVMWAQRKDCJZNS-HNNXBMFYSA-N 0 1 391.403 2.501 20 0 GFADMN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822202350 606981140 /nfs/dbraw/zinc/98/11/40/606981140.db2.gz WHQNKMPENAMIER-UHFFFAOYSA-N 0 1 385.236 2.678 20 0 GFADMN Cc1cc(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c2cc(F)ccc2n1 ZINC000822207148 607024553 /nfs/dbraw/zinc/02/45/53/607024553.db2.gz MNMAIAVULUXDJJ-UHFFFAOYSA-N 0 1 390.426 2.584 20 0 GFADMN Cc1cc(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c2cc(F)ccc2n1 ZINC000822207195 607024935 /nfs/dbraw/zinc/02/49/35/607024935.db2.gz NYOZFFALVGZTLZ-UHFFFAOYSA-N 0 1 390.426 2.584 20 0 GFADMN Cc1ccc2nc(CNC(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822270898 607053159 /nfs/dbraw/zinc/05/31/59/607053159.db2.gz BWJPPOAXVKSGJC-UHFFFAOYSA-N 0 1 391.435 2.525 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819939524 607059953 /nfs/dbraw/zinc/05/99/53/607059953.db2.gz FMEMCTSYUNTYGD-OAHLLOKOSA-N 0 1 390.463 2.885 20 0 GFADMN c1cc2nsnc2c(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823747995 607069487 /nfs/dbraw/zinc/06/94/87/607069487.db2.gz NGLKUAHCWPQIHE-UHFFFAOYSA-N 0 1 393.476 2.915 20 0 GFADMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822237369 607173160 /nfs/dbraw/zinc/17/31/60/607173160.db2.gz QOYHFLZPTCOBEJ-UHFFFAOYSA-N 0 1 398.492 2.572 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028657 607854563 /nfs/dbraw/zinc/85/45/63/607854563.db2.gz FGHDEMBOJXZNRI-ZBFHGGJFSA-N 0 1 376.823 2.787 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2F)CC1 ZINC000825856249 607899274 /nfs/dbraw/zinc/89/92/74/607899274.db2.gz SRDFXKHKXSMCFN-UHFFFAOYSA-N 0 1 382.447 2.675 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2F)CC1 ZINC000825856249 607899275 /nfs/dbraw/zinc/89/92/75/607899275.db2.gz SRDFXKHKXSMCFN-UHFFFAOYSA-N 0 1 382.447 2.675 20 0 GFADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582609 607925411 /nfs/dbraw/zinc/92/54/11/607925411.db2.gz LYDLVJPJXXWKDI-IRXDYDNUSA-N 0 1 399.495 2.823 20 0 GFADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582609 607925412 /nfs/dbraw/zinc/92/54/12/607925412.db2.gz 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CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000867984425 662590509 /nfs/dbraw/zinc/59/05/09/662590509.db2.gz WMFHFZPLZCLGBT-HNNXBMFYSA-N 0 1 396.329 2.602 20 0 GFADMN CCc1cc(CNC(=O)N[C@H](COC)c2cccc(Br)c2)n[nH]1 ZINC000868291680 662600905 /nfs/dbraw/zinc/60/09/05/662600905.db2.gz QFGUCODHAJBTGZ-OAHLLOKOSA-N 0 1 381.274 2.922 20 0 GFADMN O=C(C=Cc1ccc(Br)o1)N1CCc2nc[nH]c2C12CCOCC2 ZINC000869028431 662627301 /nfs/dbraw/zinc/62/73/01/662627301.db2.gz YEGKHQBVWJXCPE-DUXPYHPUSA-N 0 1 392.253 2.869 20 0 GFADMN CC(C)c1n[nH]c(COC(=O)c2ccc3cncc(Br)c3n2)n1 ZINC000869683780 662657193 /nfs/dbraw/zinc/65/71/93/662657193.db2.gz JNUNOZOGHJALLS-UHFFFAOYSA-N 0 1 376.214 2.991 20 0 GFADMN CC(C)c1nc(COC(=O)c2ccc3cncc(Br)c3n2)n[nH]1 ZINC000869683780 662657195 /nfs/dbraw/zinc/65/71/95/662657195.db2.gz JNUNOZOGHJALLS-UHFFFAOYSA-N 0 1 376.214 2.991 20 0 GFADMN CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc3cncc(Br)c3n2)C1 ZINC000870487496 662691988 /nfs/dbraw/zinc/69/19/88/662691988.db2.gz 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GFADMN CC[C@@H](NC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1)c1nc(C)cs1 ZINC000875242677 662843818 /nfs/dbraw/zinc/84/38/18/662843818.db2.gz OLCDFJGWNFRFQJ-YGRLFVJLSA-N 0 1 378.420 2.755 20 0 GFADMN COc1cccc(C[C@H](N)C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000876677838 662864642 /nfs/dbraw/zinc/86/46/42/662864642.db2.gz WCBYFFXHQLXDAY-JKSUJKDBSA-N 0 1 383.275 2.722 20 0 GFADMN COc1cnc(F)c(CNC[C@H](O)COc2ccccc2Br)c1 ZINC000877110228 662871207 /nfs/dbraw/zinc/87/12/07/662871207.db2.gz NLDISQIUPMNMMJ-LBPRGKRZSA-N 0 1 385.233 2.521 20 0 GFADMN COc1cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)cc1O ZINC000877540212 662878471 /nfs/dbraw/zinc/87/84/71/662878471.db2.gz ZLWVWEKNDWVSGD-SNVBAGLBSA-N 0 1 380.794 2.945 20 0 GFADMN COC(=O)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1Br ZINC000877538109 662878499 /nfs/dbraw/zinc/87/84/99/662878499.db2.gz VMBUEBVNRXAJMZ-DOTOQJQBSA-N 0 1 392.249 2.820 20 0 GFADMN COC(=O)c1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1Br ZINC000877638444 662880452 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C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246911131 553114753 /nfs/dbraw/zinc/11/47/53/553114753.db2.gz PTADPGXHKOCEHB-KGLIPLIRSA-N 0 1 386.323 2.975 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248849629 553136176 /nfs/dbraw/zinc/13/61/76/553136176.db2.gz AKYWZWMXGCBGCF-NEPJUHHUSA-N 0 1 388.917 2.745 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000249010972 553137927 /nfs/dbraw/zinc/13/79/27/553137927.db2.gz XULJMINRWBGMLC-SWLSCSKDSA-N 0 1 377.897 2.977 20 0 GFADMN CCN(C[C@@H](O)COc1cccc(C(F)(F)F)c1)C[C@@H](O)C(F)(F)F ZINC000249455484 553143257 /nfs/dbraw/zinc/14/32/57/553143257.db2.gz NLMPLBPJKNFGMG-DGCLKSJQSA-N 0 1 375.309 2.690 20 0 GFADMN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261602513 553154082 /nfs/dbraw/zinc/15/40/82/553154082.db2.gz ACIQQJXMAHVRAD-DOMZBBRYSA-N 0 1 377.897 2.693 20 0 GFADMN NC1(c2noc([C@H]3CC(=O)N(c4ccccc4Br)C3)n2)CCC1 ZINC000261716475 553157250 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CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262835692 553176575 /nfs/dbraw/zinc/17/65/75/553176575.db2.gz WFRJPJAPBBYZQP-QLFBSQMISA-N 0 1 384.567 2.560 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000262945022 553178767 /nfs/dbraw/zinc/17/87/67/553178767.db2.gz CTCKNLGHVCAXNV-HNNXBMFYSA-N 0 1 389.233 2.857 20 0 GFADMN CC[C@H](c1ccc(Br)cc1)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262933388 553179173 /nfs/dbraw/zinc/17/91/73/553179173.db2.gz SXFDUOSRHIQROR-HZPDHXFCSA-N 0 1 385.302 2.617 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000263385489 553186779 /nfs/dbraw/zinc/18/67/79/553186779.db2.gz CTDGBDOQHNDOCW-AWEZNQCLSA-N 0 1 383.286 2.582 20 0 GFADMN C[C@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)N1CCN(C)CC1 ZINC000263820621 553193971 /nfs/dbraw/zinc/19/39/71/553193971.db2.gz ZWTZUPGIHCEFKE-CQSZACIVSA-N 0 1 388.339 2.905 20 0 GFADMN C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000416564142 563849252 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O=C(NC1(c2nn[nH]n2)CCCC1)c1cc(Cl)c(Br)cc1F ZINC000449922835 564208996 /nfs/dbraw/zinc/20/89/96/564208996.db2.gz CEOYGXXWYMNJBA-UHFFFAOYSA-N 0 1 388.628 2.954 20 0 GFADMN COc1c(NS(=O)(=O)c2ccc(Br)cc2C)cccc1C(N)=O ZINC000471971008 564209141 /nfs/dbraw/zinc/20/91/41/564209141.db2.gz RCOZPKWZKIUUKA-UHFFFAOYSA-N 0 1 399.266 2.666 20 0 GFADMN Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000506719022 564209817 /nfs/dbraw/zinc/20/98/17/564209817.db2.gz LFJIUFQJYZYBHV-UHFFFAOYSA-N 0 1 382.488 2.658 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000507007789 564216072 /nfs/dbraw/zinc/21/60/72/564216072.db2.gz PUWJGMGUHMUIJC-UHFFFAOYSA-N 0 1 387.343 2.971 20 0 GFADMN C[C@@H]1CN(C[C@H](O)CNC(C)(C)c2ccccc2Br)C[C@H](C)O1 ZINC000539325454 564216399 /nfs/dbraw/zinc/21/63/99/564216399.db2.gz WITYTFVIOUGKFI-QLFBSQMISA-N 0 1 385.346 2.744 20 0 GFADMN O=C(CNC(=O)c1ccc(Br)cc1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507022632 564216420 /nfs/dbraw/zinc/21/64/20/564216420.db2.gz 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/nfs/dbraw/zinc/63/37/14/564633714.db2.gz WXZYIRLSXINDJN-LLVKDONJSA-N 0 1 377.340 2.691 20 0 GFADMN CS(=O)(=O)c1ccc(CN[C@@H](c2cccs2)c2nnc[nH]2)cc1Cl ZINC000551176553 564641090 /nfs/dbraw/zinc/64/10/90/564641090.db2.gz XBGVMUFCPFJGDE-AWEZNQCLSA-N 0 1 382.898 2.802 20 0 GFADMN Cc1sc2ncnc(SCC(=O)N(C)[C@H]3CN4CCC3CC4)c2c1C ZINC000522042120 564642505 /nfs/dbraw/zinc/64/25/05/564642505.db2.gz KWELDMJQHFZGAG-AWEZNQCLSA-N 0 1 376.551 2.953 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1Br ZINC000486207354 564643508 /nfs/dbraw/zinc/64/35/08/564643508.db2.gz SYJJBYFWZRVJAA-WBMJQRKESA-N 0 1 394.313 2.603 20 0 GFADMN CN(C)[C@@H](CNC(=O)c1nn(C)cc1Br)c1ccc(Cl)cc1 ZINC000551344481 564647229 /nfs/dbraw/zinc/64/72/29/564647229.db2.gz VDKXBMKHWWZFNW-ZDUSSCGKSA-N 0 1 385.693 2.869 20 0 GFADMN CN(CCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573660534 564649037 /nfs/dbraw/zinc/64/90/37/564649037.db2.gz FFUTUBRNXZUBFL-CQSZACIVSA-N 0 1 399.969 2.946 20 0 GFADMN COC(=O)c1ccc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)s1 ZINC000457134926 564649113 /nfs/dbraw/zinc/64/91/13/564649113.db2.gz TZNBIEWVYUWKCF-UHFFFAOYSA-N 0 1 380.853 2.856 20 0 GFADMN CCCN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC000486797839 564666459 /nfs/dbraw/zinc/66/64/59/564666459.db2.gz QTWMUKVSRSXUFC-KRWDZBQOSA-N 0 1 396.329 2.571 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)Cc1cccc2cccnc21)c1cccs1 ZINC000524015896 564675421 /nfs/dbraw/zinc/67/54/21/564675421.db2.gz WHCATWPWHRTDOC-MRXNPFEDSA-N 0 1 376.459 2.630 20 0 GFADMN CC[C@@H]1CN(CCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCO1 ZINC000487171656 564678535 /nfs/dbraw/zinc/67/85/35/564678535.db2.gz MBPFHWKTOIHMJK-OAHLLOKOSA-N 0 1 384.311 2.775 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)c2ccccc2I)n[nH]1 ZINC000458034266 564685507 /nfs/dbraw/zinc/68/55/07/564685507.db2.gz MHDICPKQRIJITC-UHFFFAOYSA-N 0 1 384.221 2.637 20 0 GFADMN CC[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cnn(C)c1 ZINC000552321347 564686004 /nfs/dbraw/zinc/68/60/04/564686004.db2.gz OISFHXFVFOGBPU-ZDUSSCGKSA-N 0 1 391.324 2.746 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000487399862 564686449 /nfs/dbraw/zinc/68/64/49/564686449.db2.gz CATPLSQOKSTPKH-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC[C@H](N2CCCC2)C1 ZINC000575419167 564698737 /nfs/dbraw/zinc/69/87/37/564698737.db2.gz VYKLKKSPXPWEAB-NSHDSACASA-N 0 1 382.379 2.583 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@H]1CCC[C@H]1F ZINC000458442749 564702899 /nfs/dbraw/zinc/70/28/99/564702899.db2.gz ZEZBCRCUKLXMOM-NEPJUHHUSA-N 0 1 382.237 2.924 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@H]1CCC[C@H]1F ZINC000458442749 564702901 /nfs/dbraw/zinc/70/29/01/564702901.db2.gz ZEZBCRCUKLXMOM-NEPJUHHUSA-N 0 1 382.237 2.924 20 0 GFADMN CNC(=O)c1ccc(CN(CCO)Cc2cccc(Br)c2)cc1 ZINC000488160443 564705689 /nfs/dbraw/zinc/70/56/89/564705689.db2.gz JERQKJBIICYNOR-UHFFFAOYSA-N 0 1 377.282 2.803 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC(=O)C1 ZINC000576230047 564709086 /nfs/dbraw/zinc/70/90/86/564709086.db2.gz NDVLPJWIYHMEGF-STQMWFEESA-N 0 1 394.313 2.897 20 0 GFADMN CCSCC[C@H](C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000576236547 564709488 /nfs/dbraw/zinc/70/94/88/564709488.db2.gz RJUBEWDAKWCQHR-LSDHHAIUSA-N 0 1 383.583 2.649 20 0 GFADMN CN(C)c1ncccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000525870487 564711837 /nfs/dbraw/zinc/71/18/37/564711837.db2.gz NPHYCSIEOJMDCL-UHFFFAOYSA-N 0 1 375.372 2.890 20 0 GFADMN CCN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@@H](C)C1 ZINC000553317743 564715332 /nfs/dbraw/zinc/71/53/32/564715332.db2.gz JMEYDAHXBCHGES-ZDUSSCGKSA-N 0 1 383.945 2.806 20 0 GFADMN C[C@H]1CSC[C@@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000553415331 564719964 /nfs/dbraw/zinc/71/99/64/564719964.db2.gz FUEIAOFSAFBPEC-CPCISQLKSA-N 0 1 387.246 2.649 20 0 GFADMN CC[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488832020 564721593 /nfs/dbraw/zinc/72/15/93/564721593.db2.gz XYUDJQWDRMQBCK-SNVBAGLBSA-N 0 1 397.285 2.738 20 0 GFADMN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000488832020 564721597 /nfs/dbraw/zinc/72/15/97/564721597.db2.gz XYUDJQWDRMQBCK-SNVBAGLBSA-N 0 1 397.285 2.738 20 0 GFADMN CC(C)Oc1ccc([C@H](C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)[NH+](C)C)cc1 ZINC000577087785 564724705 /nfs/dbraw/zinc/72/47/05/564724705.db2.gz UAKYWNFEEBKFEX-WFASDCNBSA-N 0 1 382.448 2.947 20 0 GFADMN CSc1nnc(CNC(=O)c2ccc(CN3CCSCC3)cc2)s1 ZINC000527092386 564731140 /nfs/dbraw/zinc/73/11/40/564731140.db2.gz RHWFHRJTJAYZAT-UHFFFAOYSA-N 0 1 380.564 2.739 20 0 GFADMN CO[C@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@@H]1C ZINC000459127608 564732110 /nfs/dbraw/zinc/73/21/10/564732110.db2.gz CAZVXIMOQMNIEW-GWCFXTLKSA-N 0 1 381.274 2.892 20 0 GFADMN Cc1cc(CN(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)no1 ZINC000459187674 564735503 /nfs/dbraw/zinc/73/55/03/564735503.db2.gz CHZYFYIUBNGXSN-UHFFFAOYSA-N 0 1 378.230 2.963 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2I)CCN1C ZINC000489342027 564736148 /nfs/dbraw/zinc/73/61/48/564736148.db2.gz VGIAUROTWQEHEX-AWEZNQCLSA-N 0 1 390.240 2.843 20 0 GFADMN CC(C)(O)CN(C(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000459222463 564737346 /nfs/dbraw/zinc/73/73/46/564737346.db2.gz VGKJNQZKVJHBKZ-UHFFFAOYSA-N 0 1 381.274 2.770 20 0 GFADMN CCOc1cc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)cc(Br)c1O ZINC000459342607 564741167 /nfs/dbraw/zinc/74/11/67/564741167.db2.gz PFBIASKSAGDNJZ-CQSZACIVSA-N 0 1 397.273 2.553 20 0 GFADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000578146923 564741248 /nfs/dbraw/zinc/74/12/48/564741248.db2.gz JCAPSBPULWONFA-SNVBAGLBSA-N 0 1 396.241 2.711 20 0 GFADMN CCn1cc(CN(C)C[C@H](O)COc2cc(F)cc(Br)c2)cn1 ZINC000527377631 564741878 /nfs/dbraw/zinc/74/18/78/564741878.db2.gz LMQPRYZUHNAVPT-HNNXBMFYSA-N 0 1 386.265 2.676 20 0 GFADMN CN1CCN(c2ccc(NCc3ncc(Br)cc3F)cn2)CC1 ZINC000527675584 564754462 /nfs/dbraw/zinc/75/44/62/564754462.db2.gz OCPWVUGVUSKXBF-UHFFFAOYSA-N 0 1 380.265 2.742 20 0 GFADMN NC(=O)[C@@H](CNCc1ncc(Br)cc1F)Cc1ccc(F)cc1 ZINC000527685393 564755496 /nfs/dbraw/zinc/75/54/96/564755496.db2.gz MWGTVLUWCIHUIQ-LLVKDONJSA-N 0 1 384.224 2.556 20 0 GFADMN COc1ccc(Br)c(CNC(=O)[C@H]2Cc3ccccc3CN2)c1 ZINC000489975794 564758462 /nfs/dbraw/zinc/75/84/62/564758462.db2.gz CBUZEOARQGWCBC-QGZVFWFLSA-N 0 1 375.266 2.788 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000554358919 564758809 /nfs/dbraw/zinc/75/88/09/564758809.db2.gz JXMOTHWCJRCTGO-UHFFFAOYSA-N 0 1 399.248 2.934 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](CO)[C@H](O)C1 ZINC000459715649 564758833 /nfs/dbraw/zinc/75/88/33/564758833.db2.gz VBHIZCXYPKIXQB-RHSMWYFYSA-N 0 1 394.313 2.543 20 0 GFADMN OC[C@]1(O)CCCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000459721585 564759124 /nfs/dbraw/zinc/75/91/24/564759124.db2.gz OSURZYVSVWBOBV-INIZCTEOSA-N 0 1 383.311 2.892 20 0 GFADMN COc1cc(Br)ccc1CN[C@@]1(CO)COc2ccccc2C1 ZINC000527768839 564760437 /nfs/dbraw/zinc/76/04/37/564760437.db2.gz FKTRNEZRFYPIHB-SFHVURJKSA-N 0 1 378.266 2.914 20 0 GFADMN CN(C)[C@H]1CCOc2c(NC(=O)Cn3cc(Br)cn3)cccc21 ZINC000580610229 564767010 /nfs/dbraw/zinc/76/70/10/564767010.db2.gz SWDHEVHOAMQQJM-AWEZNQCLSA-N 0 1 379.258 2.670 20 0 GFADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(O)cc(Br)c1 ZINC000528050763 564768065 /nfs/dbraw/zinc/76/80/65/564768065.db2.gz UOPLCVKNCKWPNH-UHFFFAOYSA-N 0 1 390.281 2.944 20 0 GFADMN CNC(=O)[C@H](CCSC)NCC1=Cc2cc(Br)ccc2OC1 ZINC000580737491 564771867 /nfs/dbraw/zinc/77/18/67/564771867.db2.gz XPTSEZIMBDUFLI-AWEZNQCLSA-N 0 1 385.327 2.682 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c(Cl)c1Cl ZINC000460409325 564775211 /nfs/dbraw/zinc/77/52/11/564775211.db2.gz IBVWKFMUCCTJIZ-UHFFFAOYSA-N 0 1 389.260 2.831 20 0 GFADMN C[C@@H](CNC(=O)CN(C)[C@@H]1CCSC1)Oc1cccc(Br)c1 ZINC000491090236 564786469 /nfs/dbraw/zinc/78/64/69/564786469.db2.gz XDJCSSNKWYDARN-GXTWGEPZSA-N 0 1 387.343 2.770 20 0 GFADMN O=S(=O)(NC[C@@H]1CCN1C1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000528480074 564788119 /nfs/dbraw/zinc/78/81/19/564788119.db2.gz XMADOGSJLBCPKC-ZDUSSCGKSA-N 0 1 377.432 2.786 20 0 GFADMN CN1CCCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000581203675 564792518 /nfs/dbraw/zinc/79/25/18/564792518.db2.gz CAQSSGJVDNBUQU-UHFFFAOYSA-N 0 1 378.885 2.566 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)cc1OC ZINC000528548773 564793403 /nfs/dbraw/zinc/79/34/03/564793403.db2.gz JPOCMCVGMZREPS-CYBMUJFWSA-N 0 1 388.917 2.652 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+]2C2CCCC2)sc1Br ZINC000528556100 564794836 /nfs/dbraw/zinc/79/48/36/564794836.db2.gz ZDLDHTPEOQVPAO-LLVKDONJSA-N 0 1 394.360 2.509 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]C[C@H]2CC[N@H+]2C2CCCC2)sc1Br ZINC000528556100 564794838 /nfs/dbraw/zinc/79/48/38/564794838.db2.gz ZDLDHTPEOQVPAO-LLVKDONJSA-N 0 1 394.360 2.509 20 0 GFADMN Cc1ccc(Cc2cnc(NC(=O)NC[C@@H]3COCCN3)s2)cc1Cl ZINC000528667330 564799592 /nfs/dbraw/zinc/79/95/92/564799592.db2.gz NDMGZUXOINEMHA-CYBMUJFWSA-N 0 1 380.901 2.806 20 0 GFADMN CNC(=O)c1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492310579 564801954 /nfs/dbraw/zinc/80/19/54/564801954.db2.gz HLSUWUOZPXXUPK-INIZCTEOSA-N 0 1 381.245 2.771 20 0 GFADMN C[C@H](NC(=O)C(=O)N1CCN(C)CC[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000555695576 564802549 /nfs/dbraw/zinc/80/25/49/564802549.db2.gz GQDPHAIZZKNYHY-MNOVXSKESA-N 0 1 390.286 2.862 20 0 GFADMN O=C(c1ccc2cncn2c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000555785786 564804357 /nfs/dbraw/zinc/80/43/57/564804357.db2.gz VAYWNDFJKWHPAF-UHFFFAOYSA-N 0 1 376.247 2.999 20 0 GFADMN Cc1ccc(F)c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1Br ZINC000492817958 564804737 /nfs/dbraw/zinc/80/47/37/564804737.db2.gz MPGHVENPVKGQEV-CYBMUJFWSA-N 0 1 387.293 2.983 20 0 GFADMN O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000528883972 564809050 /nfs/dbraw/zinc/80/90/50/564809050.db2.gz XJVLNANFTBURBY-DVVUODLYSA-N 0 1 382.287 2.533 20 0 GFADMN O[C@@H](CNCc1cn2ccc(Br)cc2n1)COc1ccccc1 ZINC000581636728 564810793 /nfs/dbraw/zinc/81/07/93/564810793.db2.gz NDZLLWJQEXQTOM-HNNXBMFYSA-N 0 1 376.254 2.626 20 0 GFADMN C[C@@H]1CN(c2cc(C(F)(F)F)c(Br)cn2)C[C@H](C)N1CCO ZINC000581664708 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C[C@](N)(C(=O)N1CCSC2(CCOCC2)C1)c1ccc(Br)cc1 ZINC000584358180 565077659 /nfs/dbraw/zinc/07/76/59/565077659.db2.gz MXWQTZVSAUWJFF-MRXNPFEDSA-N 0 1 399.354 2.748 20 0 GFADMN O=C(CCCc1nn[nH]n1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000635875954 565078679 /nfs/dbraw/zinc/07/86/79/565078679.db2.gz SCYFLDOJHFNOLY-UHFFFAOYSA-N 0 1 394.151 2.822 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCN1C ZINC000613969232 565088378 /nfs/dbraw/zinc/08/83/78/565088378.db2.gz YHCKSENTQXMBSW-IKGGRYGDSA-N 0 1 396.329 2.720 20 0 GFADMN CCc1nnc(S[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000657272712 565094275 /nfs/dbraw/zinc/09/42/75/565094275.db2.gz MRXMTXNYDYBCGF-ZFWWWQNUSA-N 0 1 376.551 2.972 20 0 GFADMN CCc1nnc(S[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000657272712 565094282 /nfs/dbraw/zinc/09/42/82/565094282.db2.gz MRXMTXNYDYBCGF-ZFWWWQNUSA-N 0 1 376.551 2.972 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CCNCc2nccn2C(C)C)s1 ZINC000657347097 565098515 /nfs/dbraw/zinc/09/85/15/565098515.db2.gz 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565117448 /nfs/dbraw/zinc/11/74/48/565117448.db2.gz FRAOAKKAQURRSI-GOSISDBHSA-N 0 1 382.913 2.867 20 0 GFADMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCc2[nH]cnc2C1 ZINC000614592276 565122596 /nfs/dbraw/zinc/12/25/96/565122596.db2.gz SBUGCYXTBCSGCU-MEDUHNTESA-N 0 1 375.270 2.940 20 0 GFADMN Cc1nn(C)cc1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br ZINC000685913715 565131528 /nfs/dbraw/zinc/13/15/28/565131528.db2.gz XRRCVMJNYGHVEA-UHFFFAOYSA-N 0 1 397.254 2.947 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N1CCCC[C@@H]1C ZINC000588678246 565136836 /nfs/dbraw/zinc/13/68/36/565136836.db2.gz NLVDTLXTSYPTQX-STQMWFEESA-N 0 1 388.917 2.652 20 0 GFADMN CSc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000657977701 565141878 /nfs/dbraw/zinc/14/18/78/565141878.db2.gz ILASEHCKRAWMRV-GFCCVEGCSA-N 0 1 381.929 2.943 20 0 GFADMN CNC(=O)NC(=O)CCN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973268 565146673 /nfs/dbraw/zinc/14/66/73/565146673.db2.gz DYMYXTVPVNYPGP-UHFFFAOYSA-N 0 1 378.885 2.667 20 0 GFADMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000658126644 565152060 /nfs/dbraw/zinc/15/20/60/565152060.db2.gz GYNCPMLGGBFFFL-JTQLQIEISA-N 0 1 386.265 2.516 20 0 GFADMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000658122279 565152076 /nfs/dbraw/zinc/15/20/76/565152076.db2.gz TUDJOQMRJKEXSG-NSHDSACASA-N 0 1 386.265 2.516 20 0 GFADMN O=S1(=O)CC[C@H](N[C@@H]2C[C@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253989 565155699 /nfs/dbraw/zinc/15/56/99/565155699.db2.gz WZRTVEFNCYJJKH-CFVMTHIKSA-N 0 1 386.311 2.561 20 0 GFADMN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000615302411 565156336 /nfs/dbraw/zinc/15/63/36/565156336.db2.gz MGROWSKUXSMZRQ-GWCFXTLKSA-N 0 1 378.270 2.868 20 0 GFADMN CN(C)C[C@@H](NC(=O)N[C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000637476147 565159404 /nfs/dbraw/zinc/15/94/04/565159404.db2.gz XXGKDGNCROOZFG-GXFFZTMASA-N 0 1 384.254 2.911 20 0 GFADMN CCCOc1ccc(Br)cc1S(=O)(=O)N1CCN[C@H](C)[C@@H]1C ZINC000658378120 565164750 /nfs/dbraw/zinc/16/47/50/565164750.db2.gz LTZXSNXKJRXUTI-NEPJUHHUSA-N 0 1 391.331 2.609 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)n[nH]1 ZINC000637655408 565167272 /nfs/dbraw/zinc/16/72/72/565167272.db2.gz KGNRRVVRFQKAQU-DUDQEUOJSA-N 0 1 376.258 2.574 20 0 GFADMN COC(=O)c1csc(NS(=O)(=O)CC2(C(=O)OC)CCCCC2)c1C ZINC000589965374 565174904 /nfs/dbraw/zinc/17/49/04/565174904.db2.gz XZVBLBIRMKWBNS-UHFFFAOYSA-N 0 1 389.495 2.708 20 0 GFADMN CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1cnc(CN)nc1 ZINC000637923338 565177326 /nfs/dbraw/zinc/17/73/26/565177326.db2.gz CETTWCMWBCNAEL-UHFFFAOYSA-N 0 1 381.249 2.888 20 0 GFADMN CCOC(=O)CCCNC(=O)CN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000590192697 565179666 /nfs/dbraw/zinc/17/96/66/565179666.db2.gz FOGYVGISJSHDKV-NSHDSACASA-N 0 1 389.265 2.698 20 0 GFADMN CC[C@H](C)N1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000615983774 565183357 /nfs/dbraw/zinc/18/33/57/565183357.db2.gz DKJWQTKGNBCKOL-LBPRGKRZSA-N 0 1 383.286 2.777 20 0 GFADMN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000638119936 565184839 /nfs/dbraw/zinc/18/48/39/565184839.db2.gz BXOBGHXRYQZAFS-INIZCTEOSA-N 0 1 382.913 2.761 20 0 GFADMN CC(C)[C@@H](NCc1ccc(S(N)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000638304560 565190951 /nfs/dbraw/zinc/19/09/51/565190951.db2.gz HOWTVQCKGPSWLG-QGZVFWFLSA-N 0 1 382.507 2.654 20 0 GFADMN COC[C@]1(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CCCCN1 ZINC000638297877 565191541 /nfs/dbraw/zinc/19/15/41/565191541.db2.gz CUTORXDSDQAXMB-INIZCTEOSA-N 0 1 387.274 2.564 20 0 GFADMN CC(C)[C@H](NCc1ccc(S(N)(=O)=O)s1)c1ccc2c(c1)OCCO2 ZINC000638304559 565191668 /nfs/dbraw/zinc/19/16/68/565191668.db2.gz HOWTVQCKGPSWLG-KRWDZBQOSA-N 0 1 382.507 2.654 20 0 GFADMN Cc1cc(CN)oc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000638377404 565194127 /nfs/dbraw/zinc/19/41/27/565194127.db2.gz STXLKMARFBSNOK-UHFFFAOYSA-N 0 1 392.297 2.767 20 0 GFADMN Cc1nc(CC(=O)Nc2cc(Br)ccc2OC(F)(F)F)n[nH]1 ZINC000616422812 565200394 /nfs/dbraw/zinc/20/03/94/565200394.db2.gz JCWDGBIZIRCOFW-UHFFFAOYSA-N 0 1 379.136 2.955 20 0 GFADMN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1cnc(CN)nc1 ZINC000638685717 565206610 /nfs/dbraw/zinc/20/66/10/565206610.db2.gz FGPDVBBPFSZZSP-HNNXBMFYSA-N 0 1 375.270 2.984 20 0 GFADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000590845287 565207693 /nfs/dbraw/zinc/20/76/93/565207693.db2.gz DSBVARCVVVSPRP-JQFCIGGWSA-N 0 1 396.329 2.751 20 0 GFADMN Nc1c(Cl)cc(Cl)cc1CNC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000638772940 565210830 /nfs/dbraw/zinc/21/08/30/565210830.db2.gz BTXQQHOXSRNERX-NSHDSACASA-N 0 1 395.333 2.562 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616925619 565216732 /nfs/dbraw/zinc/21/67/32/565216732.db2.gz LKIUJTJXNZGMJW-CYBMUJFWSA-N 0 1 381.523 2.733 20 0 GFADMN Cc1ccc2c(Cl)c(C(=O)N3CCN(C(=O)CN(C)C)CC3)sc2c1 ZINC000591129771 565217649 /nfs/dbraw/zinc/21/76/49/565217649.db2.gz GGCLFHUBBQNNGW-UHFFFAOYSA-N 0 1 379.913 2.709 20 0 GFADMN Cn1c(SCC(=O)NC[C@@H]2CCN2C(C)(C)C)nnc1-c1cccs1 ZINC000617014430 565219316 /nfs/dbraw/zinc/21/93/16/565219316.db2.gz JGDCODKTNZMDRS-LBPRGKRZSA-N 0 1 379.555 2.625 20 0 GFADMN C[C@@H](CNC(=O)[C@@H](N)c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000639017978 565220886 /nfs/dbraw/zinc/22/08/86/565220886.db2.gz RMAUBMUNZMFHTB-SJCJKPOMSA-N 0 1 380.897 2.663 20 0 GFADMN CCCNC(=O)C1(NCc2cnn3cc(Br)cnc23)CCCCC1 ZINC000639048416 565222131 /nfs/dbraw/zinc/22/21/31/565222131.db2.gz XRYFBQLROWSQSA-UHFFFAOYSA-N 0 1 394.317 2.811 20 0 GFADMN CN(CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000591320887 565224093 /nfs/dbraw/zinc/22/40/93/565224093.db2.gz XAFLLKKHQJPDIZ-UHFFFAOYSA-N 0 1 384.929 2.637 20 0 GFADMN C[C@@H](N[C@@H]1CCNC(=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000639099970 565224322 /nfs/dbraw/zinc/22/43/22/565224322.db2.gz PVVDIZMDMSWGOA-MFKMUULPSA-N 0 1 379.258 2.818 20 0 GFADMN COc1ncc(Br)cc1CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000639193437 565231784 /nfs/dbraw/zinc/23/17/84/565231784.db2.gz MYOOGIMVXJUZAA-LSDHHAIUSA-N 0 1 385.302 2.653 20 0 GFADMN 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ZINC000683834663 566215363 /nfs/dbraw/zinc/21/53/63/566215363.db2.gz PPBXSQJIGYQSSU-ZDUSSCGKSA-N 0 1 378.274 2.559 20 0 GFADMN O=S(=O)(NCC1CCN(Cc2ccncc2)CC1)c1sccc1Cl ZINC000657107890 566224002 /nfs/dbraw/zinc/22/40/02/566224002.db2.gz JHPWRYJSICEHQC-UHFFFAOYSA-N 0 1 385.942 2.987 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000684481087 566236563 /nfs/dbraw/zinc/23/65/63/566236563.db2.gz APXLWPNEFCXVIC-NEPJUHHUSA-N 0 1 389.721 2.559 20 0 GFADMN COc1cccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000684572854 566238741 /nfs/dbraw/zinc/23/87/41/566238741.db2.gz XIQBZICYOMTOKG-OAHLLOKOSA-N 0 1 380.535 2.947 20 0 GFADMN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736399926 598825358 /nfs/dbraw/zinc/82/53/58/598825358.db2.gz LZOSMETYOFBDGK-OAHLLOKOSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736399926 598825360 /nfs/dbraw/zinc/82/53/60/598825360.db2.gz LZOSMETYOFBDGK-OAHLLOKOSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736399926 598825361 /nfs/dbraw/zinc/82/53/61/598825361.db2.gz LZOSMETYOFBDGK-OAHLLOKOSA-N 0 1 397.483 2.553 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736399926 598825363 /nfs/dbraw/zinc/82/53/63/598825363.db2.gz LZOSMETYOFBDGK-OAHLLOKOSA-N 0 1 397.483 2.553 20 0 GFADMN C[C@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134871 598959756 /nfs/dbraw/zinc/95/97/56/598959756.db2.gz VZQXMRIWSFOLIE-SJCJKPOMSA-N 0 1 382.855 2.976 20 0 GFADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000736275212 598994115 /nfs/dbraw/zinc/99/41/15/598994115.db2.gz AQUGSDRRFFTWAT-CQSZACIVSA-N 0 1 377.452 2.746 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000736275212 598994116 /nfs/dbraw/zinc/99/41/16/598994116.db2.gz AQUGSDRRFFTWAT-CQSZACIVSA-N 0 1 377.452 2.746 20 0 GFADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000736275212 598994117 /nfs/dbraw/zinc/99/41/17/598994117.db2.gz AQUGSDRRFFTWAT-CQSZACIVSA-N 0 1 377.452 2.746 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000736275212 598994118 /nfs/dbraw/zinc/99/41/18/598994118.db2.gz AQUGSDRRFFTWAT-CQSZACIVSA-N 0 1 377.452 2.746 20 0 GFADMN NC(=O)[C@H](NCCc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737140 599096647 /nfs/dbraw/zinc/09/66/47/599096647.db2.gz ONLWIIPWGRFQEZ-OAHLLOKOSA-N 0 1 391.262 2.532 20 0 GFADMN CCN(CC)[C@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1C)c1ccco1 ZINC000821181626 607282618 /nfs/dbraw/zinc/28/26/18/607282618.db2.gz NNIGIPOEQCBUNM-MRXNPFEDSA-N 0 1 383.456 2.973 20 0 GFADMN O=C([O-])C1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000821504260 598110152 /nfs/dbraw/zinc/11/01/52/598110152.db2.gz MACSZAWFTRKREZ-UHFFFAOYSA-N 0 1 379.258 2.967 20 0 GFADMN COC(=O)c1cccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000736950250 598249001 /nfs/dbraw/zinc/24/90/01/598249001.db2.gz ZGMZNDDEXITSFE-UHFFFAOYSA-N 0 1 393.447 2.697 20 0 GFADMN CC1(C)CN(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1Cc1ccccc1 ZINC000736213645 598255614 /nfs/dbraw/zinc/25/56/14/598255614.db2.gz LKJZLFONEOGSTQ-UHFFFAOYSA-N 0 1 391.479 2.995 20 0 GFADMN Fc1ccc(SCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737657112 598292029 /nfs/dbraw/zinc/29/20/29/598292029.db2.gz UYAQFBWPTTXCSU-UHFFFAOYSA-N 0 1 384.484 2.920 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(-c3ccoc3)no2)c2ccc(Cl)cc12 ZINC000738371868 598296597 /nfs/dbraw/zinc/29/65/97/598296597.db2.gz LERHWIZKGFZWFV-UHFFFAOYSA-N 0 1 395.766 2.526 20 0 GFADMN O=c1oc2cc(Oc3nccnc3-c3nn[nH]n3)ccc2c2c1CCCCC2 ZINC000738383986 598336765 /nfs/dbraw/zinc/33/67/65/598336765.db2.gz YYGMMAZRIKHZEP-UHFFFAOYSA-N 0 1 376.376 2.824 20 0 GFADMN c1ccc(C(c2ccccc2)[NH+]2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738427403 598337056 /nfs/dbraw/zinc/33/70/56/598337056.db2.gz HSEMLGAHMNWMSW-UHFFFAOYSA-N 0 1 398.474 2.568 20 0 GFADMN c1ccc(C(c2ccccc2)[NH+]2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738427403 598337057 /nfs/dbraw/zinc/33/70/57/598337057.db2.gz HSEMLGAHMNWMSW-UHFFFAOYSA-N 0 1 398.474 2.568 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000736229023 598343905 /nfs/dbraw/zinc/34/39/05/598343905.db2.gz PSZJFUITGMHZOJ-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000736229023 598343908 /nfs/dbraw/zinc/34/39/08/598343908.db2.gz PSZJFUITGMHZOJ-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000736229023 598343909 /nfs/dbraw/zinc/34/39/09/598343909.db2.gz PSZJFUITGMHZOJ-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000736229023 598343911 /nfs/dbraw/zinc/34/39/11/598343911.db2.gz PSZJFUITGMHZOJ-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN Cc1cccc(C2(C[NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)CCCC2)c1 ZINC000737388658 598397587 /nfs/dbraw/zinc/39/75/87/598397587.db2.gz HMLAPMLTMZOPFC-UHFFFAOYSA-N 0 1 388.479 2.819 20 0 GFADMN Cc1cccc(C2(C[NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)CCCC2)c1 ZINC000737388658 598397588 /nfs/dbraw/zinc/39/75/88/598397588.db2.gz HMLAPMLTMZOPFC-UHFFFAOYSA-N 0 1 388.479 2.819 20 0 GFADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077759 598431661 /nfs/dbraw/zinc/43/16/61/598431661.db2.gz XTJRPIRDWQPQKC-UONOGXRCSA-N 0 1 380.452 2.862 20 0 GFADMN c1nn2cc(C[NH2+][C@@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nnn[n-]1 ZINC000738427492 598618514 /nfs/dbraw/zinc/61/85/14/598618514.db2.gz IOSIDQHBAMODLZ-PKOBYXMFSA-N 0 1 388.479 2.801 20 0 GFADMN c1nn2cc(C[NH2+][C@@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nn[n-]n1 ZINC000738427492 598618515 /nfs/dbraw/zinc/61/85/15/598618515.db2.gz IOSIDQHBAMODLZ-PKOBYXMFSA-N 0 1 388.479 2.801 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000736762797 598629426 /nfs/dbraw/zinc/62/94/26/598629426.db2.gz XHXWUUHMDBXXRP-INIZCTEOSA-N 0 1 387.394 2.569 20 0 GFADMN Cc1cc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c(C)n1C ZINC000737228336 598721345 /nfs/dbraw/zinc/72/13/45/598721345.db2.gz WPKZXIRRQCJXHY-UHFFFAOYSA-N 0 1 396.838 2.673 20 0 GFADMN C[C@H](NC(=O)COc1cccc(-c2nn[nH]n2)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736104289 598742370 /nfs/dbraw/zinc/74/23/70/598742370.db2.gz GKFCSQFNSUGLSM-JTQLQIEISA-N 0 1 397.826 2.653 20 0 GFADMN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357353 599298810 /nfs/dbraw/zinc/29/88/10/599298810.db2.gz GPXDLBLXNAVTAL-DOMZBBRYSA-N 0 1 385.497 2.591 20 0 GFADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)c1nnc2ccccc2c1O ZINC000735906744 599301914 /nfs/dbraw/zinc/30/19/14/599301914.db2.gz VRTYWMVKJKSFTM-UHFFFAOYSA-N 0 1 391.391 2.555 20 0 GFADMN C[C@@H](C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)N(C)Cc1ccccc1 ZINC000735510381 599370925 /nfs/dbraw/zinc/37/09/25/599370925.db2.gz AZNPXTRNAANSEM-INIZCTEOSA-N 0 1 390.491 2.878 20 0 GFADMN C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431838 599371647 /nfs/dbraw/zinc/37/16/47/599371647.db2.gz IPGORFUXHSYTDZ-LIRRHRJNSA-N 0 1 392.463 2.835 20 0 GFADMN COc1ccc(CNCc2sccc2Br)cc1-c1nn[nH]n1 ZINC000821818306 599430065 /nfs/dbraw/zinc/43/00/65/599430065.db2.gz OMKUYBQUPKGDMH-UHFFFAOYSA-N 0 1 380.271 2.989 20 0 GFADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1ccc(Br)cc1 ZINC000820274534 599462231 /nfs/dbraw/zinc/46/22/31/599462231.db2.gz HHSCAMZBFKPXMX-SNVBAGLBSA-N 0 1 378.230 2.779 20 0 GFADMN CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735664635 599487935 /nfs/dbraw/zinc/48/79/35/599487935.db2.gz MNKUMUJJNHLASF-INIZCTEOSA-N 0 1 391.483 2.633 20 0 GFADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738184567 599496399 /nfs/dbraw/zinc/49/63/99/599496399.db2.gz RWIJNDSNJIVDLO-OAHLLOKOSA-N 0 1 384.827 2.833 20 0 GFADMN COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)cc1 ZINC000737106216 599559991 /nfs/dbraw/zinc/55/99/91/599559991.db2.gz PPMVKUNODZZHFK-UHFFFAOYSA-N 0 1 399.354 2.695 20 0 GFADMN CC[C@](C)(NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1nc(C)cs1 ZINC000820853958 599645018 /nfs/dbraw/zinc/64/50/18/599645018.db2.gz QEFLCIDTGFMSDX-INIZCTEOSA-N 0 1 391.526 2.937 20 0 GFADMN Cc1ccccc1Nc1nc(N)nc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000738779190 599713085 /nfs/dbraw/zinc/71/30/85/599713085.db2.gz VZOHUOVOIJGMAO-BPUTZDHNSA-N 0 1 382.468 2.724 20 0 GFADMN C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCNC(=O)[O-])c1 ZINC000736785898 599720996 /nfs/dbraw/zinc/72/09/96/599720996.db2.gz XFKHSMNZZBZMDO-ZDUSSCGKSA-N 0 1 394.447 2.625 20 0 GFADMN C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCNC(=O)[O-])c1 ZINC000736785898 599720999 /nfs/dbraw/zinc/72/09/99/599720999.db2.gz XFKHSMNZZBZMDO-ZDUSSCGKSA-N 0 1 394.447 2.625 20 0 GFADMN CC1(C)CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736735321 599796564 /nfs/dbraw/zinc/79/65/64/599796564.db2.gz GWKAZEBGCZFPIK-HXUWFJFHSA-N 0 1 398.503 2.721 20 0 GFADMN CC1(C)C[N@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000736735321 599796566 /nfs/dbraw/zinc/79/65/66/599796566.db2.gz GWKAZEBGCZFPIK-HXUWFJFHSA-N 0 1 398.503 2.721 20 0 GFADMN CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000736735321 599796570 /nfs/dbraw/zinc/79/65/70/599796570.db2.gz GWKAZEBGCZFPIK-HXUWFJFHSA-N 0 1 398.503 2.721 20 0 GFADMN CC1(C)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000736735017 599805963 /nfs/dbraw/zinc/80/59/63/599805963.db2.gz CRPNQVHTDHSLBS-UHFFFAOYSA-N 0 1 388.493 2.899 20 0 GFADMN CC1(C)CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000736735017 599805964 /nfs/dbraw/zinc/80/59/64/599805964.db2.gz CRPNQVHTDHSLBS-UHFFFAOYSA-N 0 1 388.493 2.899 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736788575 599809659 /nfs/dbraw/zinc/80/96/59/599809659.db2.gz FIRREUYICOZBHA-DLBZAZTESA-N 0 1 389.496 2.812 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736931911 599841196 /nfs/dbraw/zinc/84/11/96/599841196.db2.gz KKMLWVCLJPGGNM-BEFAXECRSA-N 0 1 393.871 2.784 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCSCC(=O)[O-])cc1 ZINC000736790339 599900961 /nfs/dbraw/zinc/90/09/61/599900961.db2.gz VJJRVSPQZMTBCF-OAHLLOKOSA-N 0 1 379.526 2.678 20 0 GFADMN Cc1ccccc1C[NH+]1CCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000738772651 599961699 /nfs/dbraw/zinc/96/16/99/599961699.db2.gz IGGQOOQBNCCTQF-UHFFFAOYSA-N 0 1 397.475 2.599 20 0 GFADMN C[N@@H+]([C@H](C(=O)[O-])c1ccc(F)cc1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000737384087 599962712 /nfs/dbraw/zinc/96/27/12/599962712.db2.gz QWLIAVKQXJCERW-AEFFLSMTSA-N 0 1 388.443 2.808 20 0 GFADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738910360 599975169 /nfs/dbraw/zinc/97/51/69/599975169.db2.gz VZUKYICAGBDHHX-QGZVFWFLSA-N 0 1 385.468 2.580 20 0 GFADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738910360 599975170 /nfs/dbraw/zinc/97/51/70/599975170.db2.gz VZUKYICAGBDHHX-QGZVFWFLSA-N 0 1 385.468 2.580 20 0 GFADMN Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)c1 ZINC000738332381 599975476 /nfs/dbraw/zinc/97/54/76/599975476.db2.gz RJGVFGGRKBNOLJ-ZDUSSCGKSA-N 0 1 388.493 2.716 20 0 GFADMN Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)c1 ZINC000738332381 599975479 /nfs/dbraw/zinc/97/54/79/599975479.db2.gz RJGVFGGRKBNOLJ-ZDUSSCGKSA-N 0 1 388.493 2.716 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738406181 599978899 /nfs/dbraw/zinc/97/88/99/599978899.db2.gz DKCMKNROUKJGHJ-SFHVURJKSA-N 0 1 397.479 2.602 20 0 GFADMN Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)no1 ZINC000738349156 599980186 /nfs/dbraw/zinc/98/01/86/599980186.db2.gz FJLNZTSNZGTHGR-CYBMUJFWSA-N 0 1 392.481 2.648 20 0 GFADMN Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)no1 ZINC000738349156 599980190 /nfs/dbraw/zinc/98/01/90/599980190.db2.gz FJLNZTSNZGTHGR-CYBMUJFWSA-N 0 1 392.481 2.648 20 0 GFADMN O=C([O-])C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000262679737 600034042 /nfs/dbraw/zinc/03/40/42/600034042.db2.gz VKVNHFANGJEXQS-GOSISDBHSA-N 0 1 376.453 2.889 20 0 GFADMN O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)CC1 ZINC000739801958 600066645 /nfs/dbraw/zinc/06/66/45/600066645.db2.gz OCUZKRVAPVNUAP-UHFFFAOYSA-N 0 1 389.839 2.505 20 0 GFADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000736821740 600077214 /nfs/dbraw/zinc/07/72/14/600077214.db2.gz FGMKOCIFKCQKAG-OXJNMPFZSA-N 0 1 379.460 2.701 20 0 GFADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000736821740 600077216 /nfs/dbraw/zinc/07/72/16/600077216.db2.gz FGMKOCIFKCQKAG-OXJNMPFZSA-N 0 1 379.460 2.701 20 0 GFADMN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)[nH]c2=O ZINC000740188606 600088257 /nfs/dbraw/zinc/08/82/57/600088257.db2.gz DVMYGCNPHQJHIX-IYBDPMFKSA-N 0 1 390.443 2.602 20 0 GFADMN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1C[C@H]3CN(c4ccccc4)C[C@H]3C1)[nH]c2=O ZINC000740188606 600088260 /nfs/dbraw/zinc/08/82/60/600088260.db2.gz DVMYGCNPHQJHIX-IYBDPMFKSA-N 0 1 390.443 2.602 20 0 GFADMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736993454 600089339 /nfs/dbraw/zinc/08/93/39/600089339.db2.gz FLMRLGFZXBKOOV-SWLSCSKDSA-N 0 1 377.485 2.529 20 0 GFADMN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736993454 600089343 /nfs/dbraw/zinc/08/93/43/600089343.db2.gz FLMRLGFZXBKOOV-SWLSCSKDSA-N 0 1 377.485 2.529 20 0 GFADMN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(C(=O)[O-])c1C ZINC000738397865 600095184 /nfs/dbraw/zinc/09/51/84/600095184.db2.gz HGIHBGUFVVRAPV-AWEZNQCLSA-N 0 1 388.493 2.831 20 0 GFADMN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c(C(=O)[O-])c1C ZINC000738397865 600095186 /nfs/dbraw/zinc/09/51/86/600095186.db2.gz HGIHBGUFVVRAPV-AWEZNQCLSA-N 0 1 388.493 2.831 20 0 GFADMN Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738735326 600095339 /nfs/dbraw/zinc/09/53/39/600095339.db2.gz AHHLXVJYHZPXSD-QGZVFWFLSA-N 0 1 397.479 2.530 20 0 GFADMN Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738735326 600095341 /nfs/dbraw/zinc/09/53/41/600095341.db2.gz AHHLXVJYHZPXSD-QGZVFWFLSA-N 0 1 397.479 2.530 20 0 GFADMN CC[C@]([NH2+]CC(=O)NC(=O)Nc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000736915876 600129816 /nfs/dbraw/zinc/12/98/16/600129816.db2.gz FVKIOLXVFOXRRC-OAQYLSRUSA-N 0 1 383.448 2.931 20 0 GFADMN COc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1C(=O)[O-] ZINC000737997185 600165975 /nfs/dbraw/zinc/16/59/75/600165975.db2.gz MSBNJYITHHYIET-KRWDZBQOSA-N 0 1 376.840 2.966 20 0 GFADMN C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737412046 600214947 /nfs/dbraw/zinc/21/49/47/600214947.db2.gz IQFXNRMJKXJHQS-OAQYLSRUSA-N 0 1 395.459 2.900 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736251256 600230864 /nfs/dbraw/zinc/23/08/64/600230864.db2.gz OKCYPELWXLXHRA-LMMKCTJWSA-N 0 1 393.524 2.660 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736251256 600230866 /nfs/dbraw/zinc/23/08/66/600230866.db2.gz OKCYPELWXLXHRA-LMMKCTJWSA-N 0 1 393.524 2.660 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736938328 600233993 /nfs/dbraw/zinc/23/39/93/600233993.db2.gz HGEGAXNCCDDNHA-HNNXBMFYSA-N 0 1 382.526 2.705 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000739622253 600274006 /nfs/dbraw/zinc/27/40/06/600274006.db2.gz CUOBZCJSUXTZDJ-UTKZUKDTSA-N 0 1 396.462 2.728 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)N1N=C(c3ccco3)C[C@@H]1c1ccco1)CC2 ZINC000739531331 600300005 /nfs/dbraw/zinc/30/00/05/600300005.db2.gz GYZKKQDCXVBMII-GOEBONIOSA-N 0 1 397.431 2.737 20 0 GFADMN CC[C@@]([NH2+]CC(=O)NCc1cc(Cl)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736918258 600305534 /nfs/dbraw/zinc/30/55/34/600305534.db2.gz RWKJGIMXNWZKRW-FQEVSTJZSA-N 0 1 390.867 2.945 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)CC2 ZINC000739532751 600308882 /nfs/dbraw/zinc/30/88/82/600308882.db2.gz PQMPAMRNPSIGLS-OAHLLOKOSA-N 0 1 384.398 2.764 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+]([C@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000739530666 600315708 /nfs/dbraw/zinc/31/57/08/600315708.db2.gz CTAAMJNTDXCLFT-KBPBESRZSA-N 0 1 396.365 2.524 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000737506359 600326671 /nfs/dbraw/zinc/32/66/71/600326671.db2.gz WCOHDEXMOSFLGW-DNVCBOLYSA-N 0 1 381.432 2.804 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736813740 600329619 /nfs/dbraw/zinc/32/96/19/600329619.db2.gz UMWOZXIDQRFLIQ-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736813740 600329623 /nfs/dbraw/zinc/32/96/23/600329623.db2.gz UMWOZXIDQRFLIQ-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000738534332 600330381 /nfs/dbraw/zinc/33/03/81/600330381.db2.gz XBZWDDKTVXDBBA-OXJNMPFZSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000738534332 600330385 /nfs/dbraw/zinc/33/03/85/600330385.db2.gz XBZWDDKTVXDBBA-OXJNMPFZSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000738532370 600337258 /nfs/dbraw/zinc/33/72/58/600337258.db2.gz LDVZADGDXRRCAZ-QGZVFWFLSA-N 0 1 381.476 2.838 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(CNC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408901 600358024 /nfs/dbraw/zinc/35/80/24/600358024.db2.gz POSYOQGFPVDWNH-QGZVFWFLSA-N 0 1 398.467 2.652 20 0 GFADMN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000737388895 600454757 /nfs/dbraw/zinc/45/47/57/600454757.db2.gz JGVZDXMZGISJTJ-RTWAWAEBSA-N 0 1 378.472 2.514 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000736809956 600475629 /nfs/dbraw/zinc/47/56/29/600475629.db2.gz MMHJBDRPLGFKNR-UMVBOHGHSA-N 0 1 379.432 2.629 20 0 GFADMN Cc1[nH+]ccn1CCCC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000738894518 600496766 /nfs/dbraw/zinc/49/67/66/600496766.db2.gz KDAGHHMDSDHMKD-SFHVURJKSA-N 0 1 398.463 2.690 20 0 GFADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736717661 600515548 /nfs/dbraw/zinc/51/55/48/600515548.db2.gz PBVZMBULYIORJT-RHSMWYFYSA-N 0 1 382.888 2.815 20 0 GFADMN O=C([O-])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000739437239 600531363 /nfs/dbraw/zinc/53/13/63/600531363.db2.gz DGYFLISEFJTVRV-ZDUSSCGKSA-N 0 1 377.466 2.751 20 0 GFADMN O=C(CN1CCC[C@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822998109 607451839 /nfs/dbraw/zinc/45/18/39/607451839.db2.gz ZDDJOUCXDMSVIS-QGZVFWFLSA-N 0 1 376.464 2.760 20 0 GFADMN O=C(CN1CCC[C@H](Cc2ccccc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822996532 607452051 /nfs/dbraw/zinc/45/20/51/607452051.db2.gz GVOXCDKRSWMVHX-QGZVFWFLSA-N 0 1 376.464 2.760 20 0 GFADMN O=C(CN1CCC[C@@H](Cc2ccccc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000822996339 607452154 /nfs/dbraw/zinc/45/21/54/607452154.db2.gz CSXJMCCLSVNNPZ-HNNXBMFYSA-N 0 1 382.493 2.821 20 0 GFADMN O=C([O-])CCCc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000739703797 600539764 /nfs/dbraw/zinc/53/97/64/600539764.db2.gz XNZXVWXJTSFEGS-HNNXBMFYSA-N 0 1 388.493 2.796 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000738682728 600548978 /nfs/dbraw/zinc/54/89/78/600548978.db2.gz FKJNUVVYZCFWKW-UHFFFAOYSA-N 0 1 398.463 2.536 20 0 GFADMN COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](CC(C)C)NC(=O)[O-])CC[N@H+]2C)cc1 ZINC000737984011 600573317 /nfs/dbraw/zinc/57/33/17/600573317.db2.gz WQPZZWUHHWZGQP-BPQIPLTHSA-N 0 1 378.469 2.914 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccccc3NC(=O)[O-])c2)CCO1 ZINC000736815509 600574221 /nfs/dbraw/zinc/57/42/21/600574221.db2.gz RVCRLWPTWJNLDY-OAHLLOKOSA-N 0 1 383.448 2.927 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccccc3NC(=O)[O-])c2)CCO1 ZINC000736815509 600574223 /nfs/dbraw/zinc/57/42/23/600574223.db2.gz RVCRLWPTWJNLDY-OAHLLOKOSA-N 0 1 383.448 2.927 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000737505512 600627020 /nfs/dbraw/zinc/62/70/20/600627020.db2.gz LZGNDJKPERJIOO-QGZVFWFLSA-N 0 1 387.480 2.611 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000737505512 600627022 /nfs/dbraw/zinc/62/70/22/600627022.db2.gz LZGNDJKPERJIOO-QGZVFWFLSA-N 0 1 387.480 2.611 20 0 GFADMN C[N@@H+](CCCO)C1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000737439346 600628196 /nfs/dbraw/zinc/62/81/96/600628196.db2.gz LAEHARLZAISQCF-UHFFFAOYSA-N 0 1 389.521 2.787 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000831294440 600663695 /nfs/dbraw/zinc/66/36/95/600663695.db2.gz MWKHJDPMHQHXQR-AWEZNQCLSA-N 0 1 399.447 2.813 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829396926 600664362 /nfs/dbraw/zinc/66/43/62/600664362.db2.gz YTFKRRWNMUAHRC-HNNXBMFYSA-N 0 1 391.468 2.948 20 0 GFADMN Cc1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C(=O)[O-] ZINC000285174059 600711502 /nfs/dbraw/zinc/71/15/02/600711502.db2.gz UFLLEXOLBGSTSY-GASCZTMLSA-N 0 1 382.526 2.730 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736814089 600719831 /nfs/dbraw/zinc/71/98/31/600719831.db2.gz HZGVWCLGGIPSLL-GHTZIAJQSA-N 0 1 398.503 2.721 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736814089 600719832 /nfs/dbraw/zinc/71/98/32/600719832.db2.gz HZGVWCLGGIPSLL-GHTZIAJQSA-N 0 1 398.503 2.721 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736814089 600719833 /nfs/dbraw/zinc/71/98/33/600719833.db2.gz HZGVWCLGGIPSLL-GHTZIAJQSA-N 0 1 398.503 2.721 20 0 GFADMN CCn1cc(C2CC[NH+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)cn1 ZINC000830419915 600794651 /nfs/dbraw/zinc/79/46/51/600794651.db2.gz HNJPOVALERAAGB-MRXNPFEDSA-N 0 1 388.493 2.648 20 0 GFADMN CS(=O)(=O)c1ccc(OCC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000566567078 600820374 /nfs/dbraw/zinc/82/03/74/600820374.db2.gz JTNUQUWKIGPHAO-UHFFFAOYSA-N 0 1 397.880 2.709 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000164638762 600842652 /nfs/dbraw/zinc/84/26/52/600842652.db2.gz HIUXDTULDWWURB-KBXCAEBGSA-N 0 1 376.453 2.889 20 0 GFADMN CC(C)[C@@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000826741755 600850454 /nfs/dbraw/zinc/85/04/54/600850454.db2.gz NYHSYKQVOFYIBP-WMZOPIPTSA-N 0 1 389.521 2.795 20 0 GFADMN CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000829381106 600855848 /nfs/dbraw/zinc/85/58/48/600855848.db2.gz JWNMPKDAWWFFIM-UHFFFAOYSA-N 0 1 395.525 2.502 20 0 GFADMN O=C([O-])C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000833248207 600857183 /nfs/dbraw/zinc/85/71/83/600857183.db2.gz FVVIGHZGCPNSGV-QHCPKHFHSA-N 0 1 380.293 2.667 20 0 GFADMN CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000388601685 600865552 /nfs/dbraw/zinc/86/55/52/600865552.db2.gz KGINMOCJVRQHQP-QGZVFWFLSA-N 0 1 388.489 2.670 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C(=O)[O-] ZINC000738234559 600905633 /nfs/dbraw/zinc/90/56/33/600905633.db2.gz FDHMZIOIOMGSLA-DGCLKSJQSA-N 0 1 392.477 2.655 20 0 GFADMN C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2Cl)CC1 ZINC000830960563 600919528 /nfs/dbraw/zinc/91/95/28/600919528.db2.gz RKYJQUPLOADEEX-ZIAGYGMSSA-N 0 1 379.888 2.921 20 0 GFADMN CN1CC[NH+](CCOc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000830954788 600937404 /nfs/dbraw/zinc/93/74/04/600937404.db2.gz LGHMQRZRCSUBGZ-UHFFFAOYSA-N 0 1 398.463 2.655 20 0 GFADMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cs1 ZINC000830313939 600945063 /nfs/dbraw/zinc/94/50/63/600945063.db2.gz GYGPLKGTYYSREZ-HZPDHXFCSA-N 0 1 393.553 2.925 20 0 GFADMN COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000737985617 600970295 /nfs/dbraw/zinc/97/02/95/600970295.db2.gz ZIQMQMWWWAVAPL-WMZOPIPTSA-N 0 1 388.508 2.661 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000248570184 600986200 /nfs/dbraw/zinc/98/62/00/600986200.db2.gz ROLGTMICZYPIRK-BMFZPTHFSA-N 0 1 387.505 2.673 20 0 GFADMN C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC000579720172 600992707 /nfs/dbraw/zinc/99/27/07/600992707.db2.gz MMPXHHWEVDZQKP-SFHVURJKSA-N 0 1 395.452 2.756 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC000579720172 600992710 /nfs/dbraw/zinc/99/27/10/600992710.db2.gz MMPXHHWEVDZQKP-SFHVURJKSA-N 0 1 395.452 2.756 20 0 GFADMN C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000579720165 600992829 /nfs/dbraw/zinc/99/28/29/600992829.db2.gz MMPXHHWEVDZQKP-GOSISDBHSA-N 0 1 395.452 2.756 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000579720165 600992831 /nfs/dbraw/zinc/99/28/31/600992831.db2.gz MMPXHHWEVDZQKP-GOSISDBHSA-N 0 1 395.452 2.756 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000516187395 601008937 /nfs/dbraw/zinc/00/89/37/601008937.db2.gz CMKZITUISCOXSI-UXHICEINSA-N 0 1 384.476 2.725 20 0 GFADMN CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000826741361 601011283 /nfs/dbraw/zinc/01/12/83/601011283.db2.gz CMXDBXKIXKLRCW-AWEZNQCLSA-N 0 1 388.295 2.902 20 0 GFADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164530665 601029941 /nfs/dbraw/zinc/02/99/41/601029941.db2.gz FQGLLXOTZCFJJH-UTUOFQBUSA-N 0 1 375.494 2.967 20 0 GFADMN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164530665 601029944 /nfs/dbraw/zinc/02/99/44/601029944.db2.gz FQGLLXOTZCFJJH-UTUOFQBUSA-N 0 1 375.494 2.967 20 0 GFADMN O=C([O-])C[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCOCC1 ZINC000573972873 601045268 /nfs/dbraw/zinc/04/52/68/601045268.db2.gz PTFUEEWNCOOPHX-NRFANRHFSA-N 0 1 392.471 2.739 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCOCC1 ZINC000573972873 601045271 /nfs/dbraw/zinc/04/52/71/601045271.db2.gz PTFUEEWNCOOPHX-NRFANRHFSA-N 0 1 392.471 2.739 20 0 GFADMN CC(C)c1ccc(CN(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)C2CC2)cc1 ZINC000827118363 601046837 /nfs/dbraw/zinc/04/68/37/601046837.db2.gz UBNTVBBEOHGBPO-UHFFFAOYSA-N 0 1 388.508 2.867 20 0 GFADMN CC(C)c1ccc(CN(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)C2CC2)cc1 ZINC000827118363 601046839 /nfs/dbraw/zinc/04/68/39/601046839.db2.gz UBNTVBBEOHGBPO-UHFFFAOYSA-N 0 1 388.508 2.867 20 0 GFADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000826885868 601087692 /nfs/dbraw/zinc/08/76/92/601087692.db2.gz LBCXARAVFJKJJB-QGZVFWFLSA-N 0 1 377.485 2.527 20 0 GFADMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000630224384 601089033 /nfs/dbraw/zinc/08/90/33/601089033.db2.gz OZSHATJUJHKRRR-CYBMUJFWSA-N 0 1 395.525 2.662 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000736129502 601114518 /nfs/dbraw/zinc/11/45/18/601114518.db2.gz FDPSPCRONVDZPK-HNNXBMFYSA-N 0 1 375.425 2.712 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000736129502 601114519 /nfs/dbraw/zinc/11/45/19/601114519.db2.gz FDPSPCRONVDZPK-HNNXBMFYSA-N 0 1 375.425 2.712 20 0 GFADMN Cc1cc(NC(=O)N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)ccc1C(=O)[O-] ZINC000832894146 601128041 /nfs/dbraw/zinc/12/80/41/601128041.db2.gz FKJXGEBBKGRRQQ-UZLBHIALSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)ccc1C(=O)[O-] ZINC000832894146 601128043 /nfs/dbraw/zinc/12/80/43/601128043.db2.gz FKJXGEBBKGRRQQ-UZLBHIALSA-N 0 1 397.475 2.965 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CCCCC1 ZINC000833106787 601156807 /nfs/dbraw/zinc/15/68/07/601156807.db2.gz WAHFMYZQQJBXBH-LSDHHAIUSA-N 0 1 380.510 2.540 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000830585103 601223158 /nfs/dbraw/zinc/22/31/58/601223158.db2.gz PEVAXOUICHOODG-OPGJMIRHSA-N 0 1 392.452 2.505 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000829666969 601228493 /nfs/dbraw/zinc/22/84/93/601228493.db2.gz XZGYYQCKGASPQK-KQPPXVQYSA-N 0 1 392.477 2.739 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000398127688 601265191 /nfs/dbraw/zinc/26/51/91/601265191.db2.gz RWXNCAODKCCSDN-DNVCBOLYSA-N 0 1 388.489 2.574 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000833009317 601268389 /nfs/dbraw/zinc/26/83/89/601268389.db2.gz QQRRXZBOZYVOLK-NSHDSACASA-N 0 1 375.406 2.511 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759241 601289011 /nfs/dbraw/zinc/28/90/11/601289011.db2.gz QDAWXRMRBPKBRU-JXFKEZNVSA-N 0 1 382.460 2.790 20 0 GFADMN C[C@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1N1CCOCC1 ZINC000828464338 601324967 /nfs/dbraw/zinc/32/49/67/601324967.db2.gz UDLXHWBPVDWBIX-KSSFIOAISA-N 0 1 387.505 2.661 20 0 GFADMN C[C@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1N1CCOCC1 ZINC000828464338 601324969 /nfs/dbraw/zinc/32/49/69/601324969.db2.gz UDLXHWBPVDWBIX-KSSFIOAISA-N 0 1 387.505 2.661 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3cccc(NC(=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000832889469 601338117 /nfs/dbraw/zinc/33/81/17/601338117.db2.gz PQKQZGVPDGZJMH-UHFFFAOYSA-N 0 1 384.440 2.974 20 0 GFADMN C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830811060 601397261 /nfs/dbraw/zinc/39/72/61/601397261.db2.gz KVTWTUPELCISSL-UHFFFAOYSA-N 0 1 378.432 2.716 20 0 GFADMN C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830811060 601397263 /nfs/dbraw/zinc/39/72/63/601397263.db2.gz KVTWTUPELCISSL-UHFFFAOYSA-N 0 1 378.432 2.716 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(C)c1C(=O)[O-] ZINC000832843136 601426470 /nfs/dbraw/zinc/42/64/70/601426470.db2.gz RDUYXCSTDVHCHG-NVXWUHKLSA-N 0 1 392.496 2.951 20 0 GFADMN COc1ccccc1COC[C@H](O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000568291061 601433160 /nfs/dbraw/zinc/43/31/60/601433160.db2.gz YMYBEMJFHZMBBM-XUVXKRRUSA-N 0 1 391.508 2.928 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000833107611 601434213 /nfs/dbraw/zinc/43/42/13/601434213.db2.gz WZDIQAJZLCNCJI-QRQLOZEOSA-N 0 1 386.492 2.982 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000833107611 601434215 /nfs/dbraw/zinc/43/42/15/601434215.db2.gz WZDIQAJZLCNCJI-QRQLOZEOSA-N 0 1 386.492 2.982 20 0 GFADMN CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000659794751 601434238 /nfs/dbraw/zinc/43/42/38/601434238.db2.gz QIFUSRVIOPZHTJ-QKNQBKEWSA-N 0 1 389.492 2.984 20 0 GFADMN O=C([O-])CCN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000833233975 601510779 /nfs/dbraw/zinc/51/07/79/601510779.db2.gz NAQJPJLPGNJVJN-HXUWFJFHSA-N 0 1 381.476 2.797 20 0 GFADMN COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000831812891 601540070 /nfs/dbraw/zinc/54/00/70/601540070.db2.gz FKMTTWGKVAKQEM-VQTJNVASSA-N 0 1 388.508 2.805 20 0 GFADMN COCc1ccc(CNC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000831812891 601540071 /nfs/dbraw/zinc/54/00/71/601540071.db2.gz FKMTTWGKVAKQEM-VQTJNVASSA-N 0 1 388.508 2.805 20 0 GFADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000565838925 601544174 /nfs/dbraw/zinc/54/41/74/601544174.db2.gz 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Cc1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832979603 601731368 /nfs/dbraw/zinc/73/13/68/601731368.db2.gz RXANSWNYPWQSAZ-JOCHJYFZSA-N 0 1 382.460 2.609 20 0 GFADMN O=C(CCOc1ccccc1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833102469 601735597 /nfs/dbraw/zinc/73/55/97/601735597.db2.gz FFUTUCNWPLEOPM-JOCHJYFZSA-N 0 1 382.460 2.691 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1OC ZINC000831902587 601758460 /nfs/dbraw/zinc/75/84/60/601758460.db2.gz BVCOVADRHJTTIR-CYBMUJFWSA-N 0 1 379.457 2.501 20 0 GFADMN C[N@@H+](CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000237094451 601833424 /nfs/dbraw/zinc/83/34/24/601833424.db2.gz PVVVPXOUNPLGHT-UHFFFAOYSA-N 0 1 396.896 2.839 20 0 GFADMN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829160045 601842484 /nfs/dbraw/zinc/84/24/84/601842484.db2.gz CAUHWASOSUDROK-QWHCGFSZSA-N 0 1 386.901 2.676 20 0 GFADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829160045 601842485 /nfs/dbraw/zinc/84/24/85/601842485.db2.gz CAUHWASOSUDROK-QWHCGFSZSA-N 0 1 386.901 2.676 20 0 GFADMN Cc1cc(NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)n(-c2ccccc2F)n1 ZINC000662217633 601843313 /nfs/dbraw/zinc/84/33/13/601843313.db2.gz HODJMPGSUQFMRF-UHFFFAOYSA-N 0 1 388.443 2.835 20 0 GFADMN CCC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000829266231 601869112 /nfs/dbraw/zinc/86/91/12/601869112.db2.gz HSIUGBMXODYZBF-AWEZNQCLSA-N 0 1 390.436 2.844 20 0 GFADMN CCC[C@H]1CN(Cc2ccc(C(=O)OC)o2)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000829266231 601869114 /nfs/dbraw/zinc/86/91/14/601869114.db2.gz HSIUGBMXODYZBF-AWEZNQCLSA-N 0 1 390.436 2.844 20 0 GFADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000830064808 601885940 /nfs/dbraw/zinc/88/59/40/601885940.db2.gz WYEYALRFUPFQCH-SJLPKXTDSA-N 0 1 392.521 2.641 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000833221294 601886688 /nfs/dbraw/zinc/88/66/88/601886688.db2.gz HGSOJJBJWNIZAN-ZDUSSCGKSA-N 0 1 376.400 2.926 20 0 GFADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000827928534 601889399 /nfs/dbraw/zinc/88/93/99/601889399.db2.gz ILQMLVSTVJAAMX-UKRRQHHQSA-N 0 1 376.478 2.844 20 0 GFADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000827928534 601889401 /nfs/dbraw/zinc/88/94/01/601889401.db2.gz ILQMLVSTVJAAMX-UKRRQHHQSA-N 0 1 376.478 2.844 20 0 GFADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827212621 601891964 /nfs/dbraw/zinc/89/19/64/601891964.db2.gz FXPCXCLPHYFIFJ-YJBOKZPZSA-N 0 1 376.522 2.706 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])c1 ZINC000739386118 601893639 /nfs/dbraw/zinc/89/36/39/601893639.db2.gz WEVQGXCEFQOUIP-HXUWFJFHSA-N 0 1 381.476 2.859 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000740238432 601894476 /nfs/dbraw/zinc/89/44/76/601894476.db2.gz ZNTPXSKRYFTATF-UAGQMJEPSA-N 0 1 383.452 2.503 20 0 GFADMN Cc1nc2ccc(NS(=O)(=O)c3cccc(C)c3-c3nn[nH]n3)cc2s1 ZINC000826329094 607532951 /nfs/dbraw/zinc/53/29/51/607532951.db2.gz PYBDIWGVWYBJFP-UHFFFAOYSA-N 0 1 386.462 2.894 20 0 GFADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000568518910 601921297 /nfs/dbraw/zinc/92/12/97/601921297.db2.gz SGLLQWBXAXWLEA-GOSISDBHSA-N 0 1 382.482 2.531 20 0 GFADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000568518910 601921298 /nfs/dbraw/zinc/92/12/98/601921298.db2.gz SGLLQWBXAXWLEA-GOSISDBHSA-N 0 1 382.482 2.531 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000833223468 601925338 /nfs/dbraw/zinc/92/53/38/601925338.db2.gz ZCXBKUKOTBUNAZ-ICSRJNTNSA-N 0 1 384.501 2.936 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000833223468 601925340 /nfs/dbraw/zinc/92/53/40/601925340.db2.gz ZCXBKUKOTBUNAZ-ICSRJNTNSA-N 0 1 384.501 2.936 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515459 601925654 /nfs/dbraw/zinc/92/56/54/601925654.db2.gz IIFVOFDHWWNCBT-MSOLQXFVSA-N 0 1 398.500 2.986 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515459 601925659 /nfs/dbraw/zinc/92/56/59/601925659.db2.gz IIFVOFDHWWNCBT-MSOLQXFVSA-N 0 1 398.500 2.986 20 0 GFADMN COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000739921892 601928705 /nfs/dbraw/zinc/92/87/05/601928705.db2.gz UXOZGEIWMWNKQR-JKSUJKDBSA-N 0 1 391.468 2.639 20 0 GFADMN COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000739921892 601928708 /nfs/dbraw/zinc/92/87/08/601928708.db2.gz UXOZGEIWMWNKQR-JKSUJKDBSA-N 0 1 391.468 2.639 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000828176354 601929316 /nfs/dbraw/zinc/92/93/16/601929316.db2.gz IFCJMJKXLGXPGX-MAUKXSAKSA-N 0 1 383.448 2.935 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c1-c1nn[nH]n1 ZINC000826303779 607534772 /nfs/dbraw/zinc/53/47/72/607534772.db2.gz FALVRIWTCKEASP-UHFFFAOYSA-N 0 1 399.354 2.716 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1-c1nn[nH]n1 ZINC000826304036 607535091 /nfs/dbraw/zinc/53/50/91/607535091.db2.gz SLRLKYNPPLENIE-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000516075937 601949581 /nfs/dbraw/zinc/94/95/81/601949581.db2.gz DJTRYCGTWXUKRB-CQSZACIVSA-N 0 1 389.765 2.631 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000516075937 601949582 /nfs/dbraw/zinc/94/95/82/601949582.db2.gz DJTRYCGTWXUKRB-CQSZACIVSA-N 0 1 389.765 2.631 20 0 GFADMN O=C([O-])N1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740416036 602018307 /nfs/dbraw/zinc/01/83/07/602018307.db2.gz ZTJCNZCLKLALGR-HZPDHXFCSA-N 0 1 394.541 2.649 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000740647201 602045517 /nfs/dbraw/zinc/04/55/17/602045517.db2.gz YVJOLTUHIQOJSW-MRVPVSSYSA-N 0 1 387.259 2.650 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000740647201 602045522 /nfs/dbraw/zinc/04/55/22/602045522.db2.gz YVJOLTUHIQOJSW-MRVPVSSYSA-N 0 1 387.259 2.650 20 0 GFADMN CCn1nc2c(cc1=O)C[N@H+]([C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000830444884 602047419 /nfs/dbraw/zinc/04/74/19/602047419.db2.gz BIXJRZCPEWDUFT-MRXNPFEDSA-N 0 1 382.247 2.754 20 0 GFADMN CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)CC2 ZINC000830444884 602047426 /nfs/dbraw/zinc/04/74/26/602047426.db2.gz BIXJRZCPEWDUFT-MRXNPFEDSA-N 0 1 382.247 2.754 20 0 GFADMN CCC[C@](C)(NC(=O)[O-])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739290062 602123118 /nfs/dbraw/zinc/12/31/18/602123118.db2.gz XKWYOJZEJBVPAQ-MRUHUIDDSA-N 0 1 391.512 2.738 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1F ZINC000740238192 602139377 /nfs/dbraw/zinc/13/93/77/602139377.db2.gz YIZISJQTBSIFOJ-HNNXBMFYSA-N 0 1 389.431 2.604 20 0 GFADMN CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000739297554 602146357 /nfs/dbraw/zinc/14/63/57/602146357.db2.gz DWBPYZHMUSCPQL-GOSISDBHSA-N 0 1 382.892 2.857 20 0 GFADMN C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738983866 602182751 /nfs/dbraw/zinc/18/27/51/602182751.db2.gz LWHHLSGSDQQSDW-PKOBYXMFSA-N 0 1 388.512 2.682 20 0 GFADMN CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828921662 602213935 /nfs/dbraw/zinc/21/39/35/602213935.db2.gz SAGFLFBVSMQYMS-FUMNGEBKSA-N 0 1 388.508 2.673 20 0 GFADMN CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828921662 602213938 /nfs/dbraw/zinc/21/39/38/602213938.db2.gz SAGFLFBVSMQYMS-FUMNGEBKSA-N 0 1 388.508 2.673 20 0 GFADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000740015461 602275287 /nfs/dbraw/zinc/27/52/87/602275287.db2.gz ARWUVFPXBMBADB-YOEHRIQHSA-N 0 1 379.526 2.878 20 0 GFADMN C[C@H](CNC(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000739110719 602287216 /nfs/dbraw/zinc/28/72/16/602287216.db2.gz WSOBQAAMBNMEME-LSDHHAIUSA-N 0 1 378.473 2.717 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccccc1Cl ZINC000739608176 602343782 /nfs/dbraw/zinc/34/37/82/602343782.db2.gz MTBFOERCRQJAOC-ROUUACIJSA-N 0 1 389.883 2.938 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000828214670 602384283 /nfs/dbraw/zinc/38/42/83/602384283.db2.gz QHKRGTSGRJCGIZ-GASCZTMLSA-N 0 1 392.475 2.546 20 0 GFADMN O=C([O-])N1CCC[C@@H]([N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccccc3n2)C1 ZINC000740514428 602480448 /nfs/dbraw/zinc/48/04/48/602480448.db2.gz FTULWQZPVUORKG-LJQANCHMSA-N 0 1 392.459 2.839 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000737765459 602525191 /nfs/dbraw/zinc/52/51/91/602525191.db2.gz WQSMBNJVRNPAGI-HZPDHXFCSA-N 0 1 389.496 2.510 20 0 GFADMN C[C@H](NC(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000737683854 602531848 /nfs/dbraw/zinc/53/18/48/602531848.db2.gz IZDUJOIFHXOTOJ-LBPRGKRZSA-N 0 1 398.301 2.701 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737748089 602569054 /nfs/dbraw/zinc/56/90/54/602569054.db2.gz GGTBCLNFHUESLR-SJORKVTESA-N 0 1 389.496 2.812 20 0 GFADMN C[C@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738618600 602588750 /nfs/dbraw/zinc/58/87/50/602588750.db2.gz UQUDXRDYJDWOKD-UZLBHIALSA-N 0 1 385.508 2.814 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739059435 602651068 /nfs/dbraw/zinc/65/10/68/602651068.db2.gz OXDGVKBUZKFYOM-LMMKCTJWSA-N 0 1 388.512 2.901 20 0 GFADMN C[C@@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000738905490 602671489 /nfs/dbraw/zinc/67/14/89/602671489.db2.gz ALPGSGFYBUYODQ-QMMMGPOBSA-N 0 1 377.228 2.676 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000740432923 602674322 /nfs/dbraw/zinc/67/43/22/602674322.db2.gz MGSLDVGPLPHZLT-UXHICEINSA-N 0 1 381.476 2.745 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccccc1Cl ZINC000739608164 602706137 /nfs/dbraw/zinc/70/61/37/602706137.db2.gz MHWKQUKTTSZVJK-ZDUSSCGKSA-N 0 1 382.873 2.597 20 0 GFADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180733 602775257 /nfs/dbraw/zinc/77/52/57/602775257.db2.gz ZSNQNLASKDGMGU-XHBSWPGZSA-N 0 1 385.867 2.804 20 0 GFADMN C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[C@@H]1NC(=O)[O-] ZINC000739133245 602813900 /nfs/dbraw/zinc/81/39/00/602813900.db2.gz GVQBJEPJFZUOJR-YJBOKZPZSA-N 0 1 388.512 2.511 20 0 GFADMN O=C([O-])N1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000740356525 602823179 /nfs/dbraw/zinc/82/31/79/602823179.db2.gz DSKAXZUNSDLCAP-UHFFFAOYSA-N 0 1 381.476 2.968 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739137239 602833892 /nfs/dbraw/zinc/83/38/92/602833892.db2.gz PXUNRLVDQQKJTI-NXHRZFHOSA-N 0 1 380.533 2.719 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000739237918 602840951 /nfs/dbraw/zinc/84/09/51/602840951.db2.gz PQAPRTIODQZHMD-BORJPKMPSA-N 0 1 377.485 2.917 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)C1 ZINC000739559173 602903824 /nfs/dbraw/zinc/90/38/24/602903824.db2.gz XDLHLXAQFHVUGF-KSSFIOAISA-N 0 1 386.452 2.627 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000736761717 602914555 /nfs/dbraw/zinc/91/45/55/602914555.db2.gz PLMGDRJZPVYZIJ-NEWSRXKRSA-N 0 1 388.512 2.823 20 0 GFADMN CC(C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)NC(=O)[O-] ZINC000738782435 602942083 /nfs/dbraw/zinc/94/20/83/602942083.db2.gz FMYMCCCEWZTATP-AEFFLSMTSA-N 0 1 376.501 2.585 20 0 GFADMN COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)[O-] ZINC000739921977 602991987 /nfs/dbraw/zinc/99/19/87/602991987.db2.gz WHEFVBBRRPIUJF-SFHVURJKSA-N 0 1 385.420 2.625 20 0 GFADMN COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)[O-] ZINC000739921977 602991989 /nfs/dbraw/zinc/99/19/89/602991989.db2.gz WHEFVBBRRPIUJF-SFHVURJKSA-N 0 1 385.420 2.625 20 0 GFADMN CC(C)N(CCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000739054558 603030704 /nfs/dbraw/zinc/03/07/04/603030704.db2.gz AECKKWYTVCTIJA-INIZCTEOSA-N 0 1 392.500 2.980 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739099727 603038883 /nfs/dbraw/zinc/03/88/83/603038883.db2.gz DGKSAENIMICXOA-YSIASYRMSA-N 0 1 387.524 2.978 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN(C(=O)[O-])C2CC2)C1 ZINC000739098905 603041331 /nfs/dbraw/zinc/04/13/31/603041331.db2.gz AEYAOLKRASMVFW-DLBZAZTESA-N 0 1 380.533 2.815 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739109467 603041541 /nfs/dbraw/zinc/04/15/41/603041541.db2.gz SQRZBKMOEPWGNV-SQNIBIBYSA-N 0 1 380.533 2.672 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416866 603176750 /nfs/dbraw/zinc/17/67/50/603176750.db2.gz MXMWXXZIFDEZSH-HNAYVOBHSA-N 0 1 383.448 2.855 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416866 603176753 /nfs/dbraw/zinc/17/67/53/603176753.db2.gz MXMWXXZIFDEZSH-HNAYVOBHSA-N 0 1 383.448 2.855 20 0 GFADMN CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000738806263 603197236 /nfs/dbraw/zinc/19/72/36/603197236.db2.gz NSZXXBPMQWSSGK-YJBOKZPZSA-N 0 1 392.500 2.884 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563600 603235927 /nfs/dbraw/zinc/23/59/27/603235927.db2.gz KKXQIZJVOSTSBA-FUHWJXTLSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000740563600 603235930 /nfs/dbraw/zinc/23/59/30/603235930.db2.gz KKXQIZJVOSTSBA-FUHWJXTLSA-N 0 1 377.460 2.686 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000739682908 603250317 /nfs/dbraw/zinc/25/03/17/603250317.db2.gz WSVNTZPZAXTYMT-FQEVSTJZSA-N 0 1 381.476 2.750 20 0 GFADMN COc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1NC(=O)[O-] ZINC000829459488 603270889 /nfs/dbraw/zinc/27/08/89/603270889.db2.gz CTWPQLFWFGSSLA-HNNXBMFYSA-N 0 1 392.456 2.504 20 0 GFADMN C[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694051 603295346 /nfs/dbraw/zinc/29/53/46/603295346.db2.gz OHWATYZNGZWRPL-UZLBHIALSA-N 0 1 381.476 2.806 20 0 GFADMN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739732150 603313578 /nfs/dbraw/zinc/31/35/78/603313578.db2.gz ONTBCDXWOVBMLU-UHFFFAOYSA-N 0 1 382.892 2.528 20 0 GFADMN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739732150 603313583 /nfs/dbraw/zinc/31/35/83/603313583.db2.gz ONTBCDXWOVBMLU-UHFFFAOYSA-N 0 1 382.892 2.528 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825630384 603315975 /nfs/dbraw/zinc/31/59/75/603315975.db2.gz QTMNPQODNLEPQC-CRAIPNDOSA-N 0 1 390.484 2.686 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739557327 603373491 /nfs/dbraw/zinc/37/34/91/603373491.db2.gz KJXNLWSCJAUZLD-BZUAXINKSA-N 0 1 377.489 2.571 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000832757932 603403741 /nfs/dbraw/zinc/40/37/41/603403741.db2.gz QXRGMSKILJIEFL-BBWFWOEESA-N 0 1 375.494 2.910 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000832757932 603403742 /nfs/dbraw/zinc/40/37/42/603403742.db2.gz QXRGMSKILJIEFL-BBWFWOEESA-N 0 1 375.494 2.910 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178902 603413347 /nfs/dbraw/zinc/41/33/47/603413347.db2.gz SSPQRCHCGHXHSJ-SCVCMEIPSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178902 603413350 /nfs/dbraw/zinc/41/33/50/603413350.db2.gz SSPQRCHCGHXHSJ-SCVCMEIPSA-N 0 1 380.445 2.740 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000740016116 603453160 /nfs/dbraw/zinc/45/31/60/603453160.db2.gz CBNGQTHQRNEHLL-SFHVURJKSA-N 0 1 382.464 2.742 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N(C)C2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825795629 603486757 /nfs/dbraw/zinc/48/67/57/603486757.db2.gz WTUOWEYKFFLGHL-AEFFLSMTSA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[C@@H]1NC(=O)[O-] ZINC000825996449 603487687 /nfs/dbraw/zinc/48/76/87/603487687.db2.gz MJPURDJKDPPKPK-RWQQGDIJSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000831574834 603499824 /nfs/dbraw/zinc/49/98/24/603499824.db2.gz XZPFVQKQTIWPCK-IPQPSQTFSA-N 0 1 389.471 2.970 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000831574834 603499829 /nfs/dbraw/zinc/49/98/29/603499829.db2.gz XZPFVQKQTIWPCK-IPQPSQTFSA-N 0 1 389.471 2.970 20 0 GFADMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826047871 603519587 /nfs/dbraw/zinc/51/95/87/603519587.db2.gz GBXUJGHCTHLBEB-MAUKXSAKSA-N 0 1 386.496 2.711 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823715784 603630476 /nfs/dbraw/zinc/63/04/76/603630476.db2.gz USYQFHWXRXIYBC-OAHLLOKOSA-N 0 1 376.501 2.839 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000828471265 603665464 /nfs/dbraw/zinc/66/54/64/603665464.db2.gz IQTKJYFJXMNCMI-IIAWOOMASA-N 0 1 380.514 2.525 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1F ZINC000830824163 603722484 /nfs/dbraw/zinc/72/24/84/603722484.db2.gz KJWMXAKEFXNPBX-GOEBONIOSA-N 0 1 389.431 2.555 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1F ZINC000830824167 603722831 /nfs/dbraw/zinc/72/28/31/603722831.db2.gz KJWMXAKEFXNPBX-HOCLYGCPSA-N 0 1 389.431 2.555 20 0 GFADMN CCN(CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1)C(=O)[O-] ZINC000827054832 603745143 /nfs/dbraw/zinc/74/51/43/603745143.db2.gz FOODMBLAEJCQDS-IBGZPJMESA-N 0 1 388.512 2.532 20 0 GFADMN C[N@@H+](Cc1ccccc1NC(=O)COC1CN(C(=O)[O-])C1)C1CCCCC1 ZINC000828392775 603763393 /nfs/dbraw/zinc/76/33/93/603763393.db2.gz CWXJDVBXSKXPRJ-UHFFFAOYSA-N 0 1 375.469 2.768 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823712191 603985494 /nfs/dbraw/zinc/98/54/94/603985494.db2.gz IDZIKICWVBZKET-IPELMVKDSA-N 0 1 386.496 2.831 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823712191 603985497 /nfs/dbraw/zinc/98/54/97/603985497.db2.gz IDZIKICWVBZKET-IPELMVKDSA-N 0 1 386.496 2.831 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828114338 603993520 /nfs/dbraw/zinc/99/35/20/603993520.db2.gz DPJWZJDUWGLGEV-UHFFFAOYSA-N 0 1 375.347 2.598 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000825951580 604036034 /nfs/dbraw/zinc/03/60/34/604036034.db2.gz YLRKXHSDAASMKV-IEBWSBKVSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000828260229 604133554 /nfs/dbraw/zinc/13/35/54/604133554.db2.gz QRSBZYDSVUBQIQ-RTBURBONSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825253800 604187123 /nfs/dbraw/zinc/18/71/23/604187123.db2.gz KGLHNYHZIZPUCO-XQFGKFMVSA-N 0 1 377.529 2.828 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000825265470 604233878 /nfs/dbraw/zinc/23/38/78/604233878.db2.gz SAHTXYCUTLDQOT-GZBFAFLISA-N 0 1 390.402 2.813 20 0 GFADMN CC(C)(CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)[O-] ZINC000823917357 604279805 /nfs/dbraw/zinc/27/98/05/604279805.db2.gz DUZWXMGZSOSGKB-ROUUACIJSA-N 0 1 388.512 2.729 20 0 GFADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090154 604384084 /nfs/dbraw/zinc/38/40/84/604384084.db2.gz QEVHKLDMIFACEX-WOJBJXKFSA-N 0 1 396.487 2.856 20 0 GFADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090154 604384087 /nfs/dbraw/zinc/38/40/87/604384087.db2.gz QEVHKLDMIFACEX-WOJBJXKFSA-N 0 1 396.487 2.856 20 0 GFADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000827016426 604404473 /nfs/dbraw/zinc/40/44/73/604404473.db2.gz OQQKFLMGKACCMK-CQSZACIVSA-N 0 1 387.274 2.588 20 0 GFADMN Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830823437 604441329 /nfs/dbraw/zinc/44/13/29/604441329.db2.gz GOFKXURIXYPVRD-KSSFIOAISA-N 0 1 385.468 2.894 20 0 GFADMN CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000818335870 604466938 /nfs/dbraw/zinc/46/69/38/604466938.db2.gz VYESTXKEHJTCCM-INIZCTEOSA-N 0 1 382.888 2.969 20 0 GFADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000827664282 604482260 /nfs/dbraw/zinc/48/22/60/604482260.db2.gz FCMVEFJUBCGUSJ-BBRMVZONSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000827664282 604482264 /nfs/dbraw/zinc/48/22/64/604482264.db2.gz FCMVEFJUBCGUSJ-BBRMVZONSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000827664285 604482534 /nfs/dbraw/zinc/48/25/34/604482534.db2.gz FCMVEFJUBCGUSJ-XJKSGUPXSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000827664285 604482538 /nfs/dbraw/zinc/48/25/38/604482538.db2.gz FCMVEFJUBCGUSJ-XJKSGUPXSA-N 0 1 389.477 2.857 20 0 GFADMN CC(C)[N@@H+](CCc1nccs1)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000833496638 604484125 /nfs/dbraw/zinc/48/41/25/604484125.db2.gz MPSVRBXUIPDCQS-UHFFFAOYSA-N 0 1 376.482 2.802 20 0 GFADMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000829056676 604500700 /nfs/dbraw/zinc/50/07/00/604500700.db2.gz ZAJWNYBXRCWAAN-IRXDYDNUSA-N 0 1 377.485 2.918 20 0 GFADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000827015642 604515343 /nfs/dbraw/zinc/51/53/43/604515343.db2.gz GDDGSAZPOBFLPX-CQSZACIVSA-N 0 1 387.274 2.588 20 0 GFADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000833691345 604521167 /nfs/dbraw/zinc/52/11/67/604521167.db2.gz BNEHVCXBXLDAKF-ZANVPECISA-N 0 1 375.252 2.723 20 0 GFADMN CCN1C[C@@H](C[N@@H+](C)Cc2c(C)nn(CCC(=O)[O-])c2C)Oc2ccccc21 ZINC000833657133 604524121 /nfs/dbraw/zinc/52/41/21/604524121.db2.gz LJMJHFGZXTYOTD-QGZVFWFLSA-N 0 1 386.496 2.694 20 0 GFADMN C[C@@H](Oc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1)C(=O)[O-] ZINC000833540584 604531148 /nfs/dbraw/zinc/53/11/48/604531148.db2.gz NCAKKYZFRHSJOQ-CQSZACIVSA-N 0 1 398.488 2.865 20 0 GFADMN COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1NC(=O)[O-] ZINC000829466010 604533682 /nfs/dbraw/zinc/53/36/82/604533682.db2.gz VRKJXXAKJKNVMI-GDBMZVCRSA-N 0 1 392.456 2.550 20 0 GFADMN Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745305 604590710 /nfs/dbraw/zinc/59/07/10/604590710.db2.gz BTSNFLOSNORNBC-LJQANCHMSA-N 0 1 382.460 2.830 20 0 GFADMN C[C@H](Oc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833543635 604620891 /nfs/dbraw/zinc/62/08/91/604620891.db2.gz UBLXHZNJWCNUAN-HOCLYGCPSA-N 0 1 378.469 2.885 20 0 GFADMN O=C([O-])CNC(=O)CC[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000833250215 604676747 /nfs/dbraw/zinc/67/67/47/604676747.db2.gz BTPDEOXRGVUCAH-UHFFFAOYSA-N 0 1 383.286 2.785 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1)C(=O)[O-] ZINC000827448677 604741765 /nfs/dbraw/zinc/74/17/65/604741765.db2.gz BDGYUIXTWVDTLY-MRVPVSSYSA-N 0 1 391.212 2.851 20 0 GFADMN O=C([O-])c1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000833328303 604741804 /nfs/dbraw/zinc/74/18/04/604741804.db2.gz 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C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000833811684 605604210 /nfs/dbraw/zinc/60/42/10/605604210.db2.gz DHDSNVKDKDSLRY-ZFWWWQNUSA-N 0 1 386.452 2.716 20 0 GFADMN CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC ZINC000833652351 605728323 /nfs/dbraw/zinc/72/83/23/605728323.db2.gz SCXQSPRWTBWTDU-HIFRSBDPSA-N 0 1 399.871 2.976 20 0 GFADMN CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC ZINC000833652351 605728325 /nfs/dbraw/zinc/72/83/25/605728325.db2.gz SCXQSPRWTBWTDU-HIFRSBDPSA-N 0 1 399.871 2.976 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c2)C[C@@H](C)O1 ZINC000826067018 605733041 /nfs/dbraw/zinc/73/30/41/605733041.db2.gz IMGUCODJVGEFET-CKEIUWERSA-N 0 1 377.485 2.917 20 0 GFADMN O=C([O-])N1CCC([N@@H+](C[C@@H](O)COCc2ccccc2Cl)C2CC2)CC1 ZINC000834080831 605747046 /nfs/dbraw/zinc/74/70/46/605747046.db2.gz BBORSDIOIQAFRD-QGZVFWFLSA-N 0 1 382.888 2.824 20 0 GFADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833623112 605766420 /nfs/dbraw/zinc/76/64/20/605766420.db2.gz ORFRXHMBCSSGCO-NSHDSACASA-N 0 1 395.431 2.709 20 0 GFADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833623112 605766425 /nfs/dbraw/zinc/76/64/25/605766425.db2.gz ORFRXHMBCSSGCO-NSHDSACASA-N 0 1 395.431 2.709 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833615803 605888757 /nfs/dbraw/zinc/88/87/57/605888757.db2.gz RRXJUWVOXQIPNS-CYBMUJFWSA-N 0 1 395.887 2.748 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)c3ccccc3Br)C2)CC1 ZINC000834092915 605898025 /nfs/dbraw/zinc/89/80/25/605898025.db2.gz FJIPPKZTENUSLG-OAHLLOKOSA-N 0 1 383.286 2.948 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829348 605906950 /nfs/dbraw/zinc/90/69/50/605906950.db2.gz HLWOFQPNCMRMHO-QWRGUYRKSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829348 605906954 /nfs/dbraw/zinc/90/69/54/605906954.db2.gz HLWOFQPNCMRMHO-QWRGUYRKSA-N 0 1 375.347 2.502 20 0 GFADMN O=C([O-])N1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000834089379 605910313 /nfs/dbraw/zinc/91/03/13/605910313.db2.gz ZGWNAIWGIRWYHY-GOSISDBHSA-N 0 1 389.471 2.783 20 0 GFADMN O=C([O-])N1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000834089379 605910316 /nfs/dbraw/zinc/91/03/16/605910316.db2.gz ZGWNAIWGIRWYHY-GOSISDBHSA-N 0 1 389.471 2.783 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCCCSc1ccccc1 ZINC000832235128 605939457 /nfs/dbraw/zinc/93/94/57/605939457.db2.gz XKSSRJYNHFWHOX-ALOPSCKCSA-N 0 1 391.537 2.938 20 0 GFADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000834094453 605965381 /nfs/dbraw/zinc/96/53/81/605965381.db2.gz FBOYDYRINAFJBO-KGLIPLIRSA-N 0 1 379.258 2.814 20 0 GFADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000834094453 605965382 /nfs/dbraw/zinc/96/53/82/605965382.db2.gz FBOYDYRINAFJBO-KGLIPLIRSA-N 0 1 379.258 2.814 20 0 GFADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000834092779 605985358 /nfs/dbraw/zinc/98/53/58/605985358.db2.gz YMSSMQVKXHPMHP-UHOSZYNNSA-N 0 1 389.471 2.781 20 0 GFADMN O=C([O-])N[C@H](CC(F)F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000834133591 606044263 /nfs/dbraw/zinc/04/42/63/606044263.db2.gz QTBGQWKPNGMGCJ-WTXIUTQJSA-N 0 1 381.423 2.590 20 0 GFADMN O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000834272405 606050768 /nfs/dbraw/zinc/05/07/68/606050768.db2.gz CABNDYLOXHVXLZ-UHFFFAOYSA-N 0 1 383.448 2.832 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658050 606188212 /nfs/dbraw/zinc/18/82/12/606188212.db2.gz OYSIAVGYNSIQQR-UKRRQHHQSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658050 606188214 /nfs/dbraw/zinc/18/82/14/606188214.db2.gz OYSIAVGYNSIQQR-UKRRQHHQSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658050 606188216 /nfs/dbraw/zinc/18/82/16/606188216.db2.gz OYSIAVGYNSIQQR-UKRRQHHQSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658050 606188218 /nfs/dbraw/zinc/18/82/18/606188218.db2.gz OYSIAVGYNSIQQR-UKRRQHHQSA-N 0 1 382.493 2.711 20 0 GFADMN CC(C)C[C@@H]1CCCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820061497 606188858 /nfs/dbraw/zinc/18/88/58/606188858.db2.gz DLIMIVVCPNRWTJ-KRWDZBQOSA-N 0 1 391.541 2.931 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000822535528 606338360 /nfs/dbraw/zinc/33/83/60/606338360.db2.gz VNKRWDYJLWUKQX-UHFFFAOYSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000822535528 606338361 /nfs/dbraw/zinc/33/83/61/606338361.db2.gz VNKRWDYJLWUKQX-UHFFFAOYSA-N 0 1 397.483 2.553 20 0 GFADMN Brc1ccc(OCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819688148 606415792 /nfs/dbraw/zinc/41/57/92/606415792.db2.gz DRKBEQUOOJDCNF-UHFFFAOYSA-N 0 1 380.271 2.859 20 0 GFADMN Brc1ccc(OCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819688148 606415795 /nfs/dbraw/zinc/41/57/95/606415795.db2.gz DRKBEQUOOJDCNF-UHFFFAOYSA-N 0 1 380.271 2.859 20 0 GFADMN O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000823673751 606420898 /nfs/dbraw/zinc/42/08/98/606420898.db2.gz NKLJIQRTUXMVCG-GXTWGEPZSA-N 0 1 383.399 2.552 20 0 GFADMN O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000823673751 606420899 /nfs/dbraw/zinc/42/08/99/606420899.db2.gz NKLJIQRTUXMVCG-GXTWGEPZSA-N 0 1 383.399 2.552 20 0 GFADMN CC[NH+]1CCN(c2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)CC1 ZINC000821277747 606440211 /nfs/dbraw/zinc/44/02/11/606440211.db2.gz WVNIJKKFKCSYSN-UHFFFAOYSA-N 0 1 384.875 2.801 20 0 GFADMN CC[NH+]1CCN(c2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)CC1 ZINC000821277747 606440213 /nfs/dbraw/zinc/44/02/13/606440213.db2.gz WVNIJKKFKCSYSN-UHFFFAOYSA-N 0 1 384.875 2.801 20 0 GFADMN CC(C)CN1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000820092751 606440954 /nfs/dbraw/zinc/44/09/54/606440954.db2.gz OSXQVIJBGWTHIW-ZDUSSCGKSA-N 0 1 384.406 2.654 20 0 GFADMN Cc1cc(CC(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)n[nH]1 ZINC000822200030 606669396 /nfs/dbraw/zinc/66/93/96/606669396.db2.gz REFAZORZIQPAOA-UHFFFAOYSA-N 0 1 389.419 2.658 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877047 606713814 /nfs/dbraw/zinc/71/38/14/606713814.db2.gz NPXCVDNCEGMRQQ-XJKSGUPXSA-N 0 1 380.427 2.822 20 0 GFADMN COc1cc(CN2CC[C@H](Nc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821717765 606728198 /nfs/dbraw/zinc/72/81/98/606728198.db2.gz XTLCBRXHCVAYBU-HNNXBMFYSA-N 0 1 398.442 2.709 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926407 606742544 /nfs/dbraw/zinc/74/25/44/606742544.db2.gz SVVRXYUNGRILDC-QZTJIDSGSA-N 0 1 398.536 2.697 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000820926407 606742545 /nfs/dbraw/zinc/74/25/45/606742545.db2.gz SVVRXYUNGRILDC-QZTJIDSGSA-N 0 1 398.536 2.697 20 0 GFADMN O=S(=O)(Nc1cccc(Cl)c1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823589432 606865222 /nfs/dbraw/zinc/86/52/22/606865222.db2.gz ZCUMXUIUMSUWPK-UHFFFAOYSA-N 0 1 389.746 2.738 20 0 GFADMN C[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@@H](C)c1ccccc1 ZINC000820438255 606892741 /nfs/dbraw/zinc/89/27/41/606892741.db2.gz LQVMWQSAHXNRJT-MNOVXSKESA-N 0 1 393.419 2.615 20 0 GFADMN Cn1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596457 606929033 /nfs/dbraw/zinc/92/90/33/606929033.db2.gz KFOTWINODDQUSA-OALUTQOASA-N 0 1 389.463 2.624 20 0 GFADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000820426665 607057070 /nfs/dbraw/zinc/05/70/70/607057070.db2.gz MEYGWKHXFRONDE-GFCCVEGCSA-N 0 1 382.399 2.813 20 0 GFADMN CCc1cc(C)c(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000821470513 607132408 /nfs/dbraw/zinc/13/24/08/607132408.db2.gz PYYFAPFTAALIMZ-UHFFFAOYSA-N 0 1 394.479 2.679 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]2CCCC[C@@H]12 ZINC000824952814 607815322 /nfs/dbraw/zinc/81/53/22/607815322.db2.gz BHFADKLCNNSHAR-FHLIZLRMSA-N 0 1 389.525 2.541 20 0 GFADMN CCN(CC)[C@H](C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21)c1ccccc1 ZINC000825405441 607948841 /nfs/dbraw/zinc/94/88/41/607948841.db2.gz AXKVYEQCZSCHFW-IBGZPJMESA-N 0 1 376.464 2.839 20 0 GFADMN COc1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3nc(C)ccc32)cc1Cl ZINC000826208364 608097497 /nfs/dbraw/zinc/09/74/97/608097497.db2.gz HENFWYJMALPTOS-UHFFFAOYSA-N 0 1 382.811 2.595 20 0 GFADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)n[nH]1 ZINC000824358613 608100207 /nfs/dbraw/zinc/10/02/07/608100207.db2.gz NTKMGQSOXUDRDS-JTQLQIEISA-N 0 1 386.464 2.547 20 0 GFADMN CN(Cc1ccc(Cl)c(F)c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825965681 608105864 /nfs/dbraw/zinc/10/58/64/608105864.db2.gz BXHWTHJMEZCYBP-CQSZACIVSA-N 0 1 391.834 2.531 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000824358620 608108137 /nfs/dbraw/zinc/10/81/37/608108137.db2.gz NUUNIPHWBQRJTM-CYBMUJFWSA-N 0 1 398.471 2.535 20 0 GFADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nnn[n-]2)s1 ZINC000826430064 608134786 /nfs/dbraw/zinc/13/47/86/608134786.db2.gz SNUSWQVVJWPMCX-HRCADAONSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nnn[n-]2)s1 ZINC000826430064 608134787 /nfs/dbraw/zinc/13/47/87/608134787.db2.gz SNUSWQVVJWPMCX-HRCADAONSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[n-]n2)s1 ZINC000826430064 608134788 /nfs/dbraw/zinc/13/47/88/608134788.db2.gz SNUSWQVVJWPMCX-HRCADAONSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[n-]n2)s1 ZINC000826430064 608134789 /nfs/dbraw/zinc/13/47/89/608134789.db2.gz SNUSWQVVJWPMCX-HRCADAONSA-N 0 1 394.504 2.569 20 0 GFADMN COCCOc1ccc(-c2nn[nH]n2)cc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000826161828 608136179 /nfs/dbraw/zinc/13/61/79/608136179.db2.gz BJAJEAQWPMSAJC-UHFFFAOYSA-N 0 1 391.435 2.894 20 0 GFADMN CC(C)CN1Cc2cccc(NC(=O)COc3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000824261219 608196502 /nfs/dbraw/zinc/19/65/02/608196502.db2.gz FOUWKNKXDZREFJ-UHFFFAOYSA-N 0 1 392.463 2.856 20 0 GFADMN COc1cc([C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC000826177515 608285572 /nfs/dbraw/zinc/28/55/72/608285572.db2.gz LMKNDJMOZNRFLQ-NSHDSACASA-N 0 1 387.415 2.882 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332464 608317056 /nfs/dbraw/zinc/31/70/56/608317056.db2.gz VJUSUYZNBISRJC-IAGOWNOFSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332464 608317058 /nfs/dbraw/zinc/31/70/58/608317058.db2.gz VJUSUYZNBISRJC-IAGOWNOFSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332464 608317060 /nfs/dbraw/zinc/31/70/60/608317060.db2.gz VJUSUYZNBISRJC-IAGOWNOFSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332464 608317062 /nfs/dbraw/zinc/31/70/62/608317062.db2.gz VJUSUYZNBISRJC-IAGOWNOFSA-N 0 1 393.495 2.609 20 0 GFADMN c1ccc(C[N@@H+]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC23CCCCC3)cc1 ZINC000826521758 608430671 /nfs/dbraw/zinc/43/06/71/608430671.db2.gz YCUVHARORBWYED-UHFFFAOYSA-N 0 1 390.495 2.682 20 0 GFADMN c1ccc(C[N@H+]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC23CCCCC3)cc1 ZINC000826521758 608430673 /nfs/dbraw/zinc/43/06/73/608430673.db2.gz YCUVHARORBWYED-UHFFFAOYSA-N 0 1 390.495 2.682 20 0 GFADMN c1ccc(C[N@@H+]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC23CCCCC3)cc1 ZINC000826521758 608430674 /nfs/dbraw/zinc/43/06/74/608430674.db2.gz YCUVHARORBWYED-UHFFFAOYSA-N 0 1 390.495 2.682 20 0 GFADMN c1ccc(C[N@H+]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC23CCCCC3)cc1 ZINC000826521758 608430676 /nfs/dbraw/zinc/43/06/76/608430676.db2.gz YCUVHARORBWYED-UHFFFAOYSA-N 0 1 390.495 2.682 20 0 GFADMN COc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1 ZINC000826188392 608431783 /nfs/dbraw/zinc/43/17/83/608431783.db2.gz VXBHHCTYJGAMCG-NSHDSACASA-N 0 1 386.843 2.818 20 0 GFADMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826283027 608436680 /nfs/dbraw/zinc/43/66/80/608436680.db2.gz IRYAGQKEIGIYRI-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826282790 608436784 /nfs/dbraw/zinc/43/67/84/608436784.db2.gz CIYXOZZVVINAIP-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN COc1cc([C@H](C)NCc2cccc(-c3nn[nH]n3)c2F)cc(OC)c1OC ZINC000826177294 608449466 /nfs/dbraw/zinc/44/94/66/608449466.db2.gz BTRLNQLJSIKQJN-NSHDSACASA-N 0 1 387.415 2.882 20 0 GFADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824332986 608454180 /nfs/dbraw/zinc/45/41/80/608454180.db2.gz BYQLBWKOGPAWMD-CQSZACIVSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553671 608462039 /nfs/dbraw/zinc/46/20/39/608462039.db2.gz FSZGOKRRNZCODR-JLTOFOAXSA-N 0 1 376.464 2.785 20 0 GFADMN CC(C)N(C(=O)[C@@H](C)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000824035017 608463071 /nfs/dbraw/zinc/46/30/71/608463071.db2.gz RPMHJPJQZBWQHK-MRXNPFEDSA-N 0 1 382.512 2.990 20 0 GFADMN CC(C)Oc1cccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824334170 608463676 /nfs/dbraw/zinc/46/36/76/608463676.db2.gz QCVSIKNXSKANEE-HNNXBMFYSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000824564884 608471263 /nfs/dbraw/zinc/47/12/63/608471263.db2.gz XPTXGGGZRVDJSQ-NSHDSACASA-N 0 1 388.834 2.626 20 0 GFADMN CCN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc(OC)c(OC)c1 ZINC000825434666 608504373 /nfs/dbraw/zinc/50/43/73/608504373.db2.gz DHKSXAZWQUQUOG-UHFFFAOYSA-N 0 1 393.451 2.554 20 0 GFADMN Cc1oc2ccccc2c1CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826342242 608513606 /nfs/dbraw/zinc/51/36/06/608513606.db2.gz CCMRMKVXQFNJHH-UHFFFAOYSA-N 0 1 375.436 2.639 20 0 GFADMN C[C@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Cl)cc1 ZINC000824477966 608530468 /nfs/dbraw/zinc/53/04/68/608530468.db2.gz DOZHPVPDNZFMIS-ZDUSSCGKSA-N 0 1 396.882 2.976 20 0 GFADMN CCN(Cc1cnc(N2CCOCC2)s1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825445273 608551397 /nfs/dbraw/zinc/55/13/97/608551397.db2.gz YVOABLQTKNALBO-AWEZNQCLSA-N 0 1 399.524 2.743 20 0 GFADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825961927 608598169 /nfs/dbraw/zinc/59/81/69/608598169.db2.gz PHSUXMKMUWQVBA-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825961927 608598171 /nfs/dbraw/zinc/59/81/71/608598171.db2.gz PHSUXMKMUWQVBA-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825961927 608598172 /nfs/dbraw/zinc/59/81/72/608598172.db2.gz PHSUXMKMUWQVBA-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825961927 608598173 /nfs/dbraw/zinc/59/81/73/608598173.db2.gz PHSUXMKMUWQVBA-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@@H](C)CN1C ZINC000824975383 608634709 /nfs/dbraw/zinc/63/47/09/608634709.db2.gz JZRFBCKSAVVONG-GJZGRUSLSA-N 0 1 376.464 2.698 20 0 GFADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012793 608806278 /nfs/dbraw/zinc/80/62/78/608806278.db2.gz LRDZAFQBWXPSJK-HBUWYVDXSA-N 0 1 397.454 2.753 20 0 GFADMN CC(=O)c1ccc(O)c(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824025107 609284683 /nfs/dbraw/zinc/28/46/83/609284683.db2.gz VERSSUHTYHDOSC-UHFFFAOYSA-N 0 1 383.433 2.647 20 0 GFADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825060944 609299438 /nfs/dbraw/zinc/29/94/38/609299438.db2.gz VHLBYLJXDDZJSG-VHSXEESVSA-N 0 1 376.486 2.728 20 0 GFADMN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296774 609329645 /nfs/dbraw/zinc/32/96/45/609329645.db2.gz IRRUKTGBHZVLPQ-HOCLYGCPSA-N 0 1 385.443 2.713 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000823821369 609360597 /nfs/dbraw/zinc/36/05/97/609360597.db2.gz SYOUGJJPRXEDTI-CQSZACIVSA-N 0 1 388.273 2.663 20 0 GFADMN O=C1[C@@H](NCc2ccccc2Cl)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477311 609411938 /nfs/dbraw/zinc/41/19/38/609411938.db2.gz ZOQZCJCVRIKANH-KRWDZBQOSA-N 0 1 382.855 2.805 20 0 GFADMN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000824024390 609467785 /nfs/dbraw/zinc/46/77/85/609467785.db2.gz CEBKCVLGPCOEAS-UHFFFAOYSA-N 0 1 395.803 2.663 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826332547 609609355 /nfs/dbraw/zinc/60/93/55/609609355.db2.gz XICPBEUSNNVFTC-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826332547 609609357 /nfs/dbraw/zinc/60/93/57/609609357.db2.gz XICPBEUSNNVFTC-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1cc(NC(=O)CCN[C@@H](CCO)c2ccccc2Br)no1 ZINC000541023187 650869031 /nfs/dbraw/zinc/86/90/31/650869031.db2.gz BSQYZDNVEALELT-AWEZNQCLSA-N 0 1 382.258 2.787 20 0 GFADMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)c1Br ZINC000817645935 660204111 /nfs/dbraw/zinc/20/41/11/660204111.db2.gz XTXDWMOMRAZTGP-MWLCHTKSSA-N 0 1 386.290 2.921 20 0 GFADMN CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000817481851 660198062 /nfs/dbraw/zinc/19/80/62/660198062.db2.gz CUPSUBJWWRDKJM-GFCCVEGCSA-N 0 1 377.520 2.890 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@H](O)c2ccccc2F)s1 ZINC000818945948 660236279 /nfs/dbraw/zinc/23/62/79/660236279.db2.gz WCZHGPFDQKLSPV-INIZCTEOSA-N 0 1 386.514 2.741 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@H](O)c2ccc(C)cc2)s1 ZINC000818945477 660236382 /nfs/dbraw/zinc/23/63/82/660236382.db2.gz HLOBZVUJIKRVSE-KRWDZBQOSA-N 0 1 382.551 2.910 20 0 GFADMN COc1cc(Br)c(CNC[C@H](O)c2ccc(F)cn2)cc1OC ZINC000819007471 660243152 /nfs/dbraw/zinc/24/31/52/660243152.db2.gz YIYWMCMCUYGOQO-AWEZNQCLSA-N 0 1 385.233 2.824 20 0 GFADMN CN1CCN(c2ccc(Br)cc2NC(=O)/C=C/[C@@H]2CCCO2)CC1 ZINC000819186304 660249365 /nfs/dbraw/zinc/24/93/65/660249365.db2.gz XVCJJHUCXVYZLC-ZKKXHLJNSA-N 0 1 394.313 2.875 20 0 GFADMN CS(=O)(=O)c1ccc([C@H](O)CNCc2cc(F)c(Cl)cc2F)cc1 ZINC000819272544 660253088 /nfs/dbraw/zinc/25/30/88/660253088.db2.gz YRIKCIZELYHWPD-MRXNPFEDSA-N 0 1 375.824 2.845 20 0 GFADMN O=C([C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819720085 660267778 /nfs/dbraw/zinc/26/77/78/660267778.db2.gz MQAZMDJDVGWDKP-OTYXRUKQSA-N 0 1 380.235 2.621 20 0 GFADMN COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000820395385 660291994 /nfs/dbraw/zinc/29/19/94/660291994.db2.gz MANGRRZQDCJKLH-GXSJLCMTSA-N 0 1 396.241 2.622 20 0 GFADMN CS(C)(=O)=NC(=O)c1ccccc1NS(=O)(=O)CCc1ccccc1 ZINC000820801439 660307177 /nfs/dbraw/zinc/30/71/77/660307177.db2.gz NAWJJYKLFVBLEX-UHFFFAOYSA-N 0 1 380.491 2.539 20 0 GFADMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000820796378 660306374 /nfs/dbraw/zinc/30/63/74/660306374.db2.gz IEMLWOLYVZWDAX-SNVBAGLBSA-N 0 1 396.738 2.650 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)n[nH]1 ZINC000822408791 660344908 /nfs/dbraw/zinc/34/49/08/660344908.db2.gz GLEWYPHPDKKTKK-INIZCTEOSA-N 0 1 399.264 2.528 20 0 GFADMN CCN1CCN(c2ccc(CNC(=O)C[C@]3(C)CC3(Cl)Cl)cn2)CC1 ZINC000822545696 660347606 /nfs/dbraw/zinc/34/76/06/660347606.db2.gz IFAQMCGMDVMSFA-QGZVFWFLSA-N 0 1 385.339 2.814 20 0 GFADMN CCCCC[C@H](O)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000823003866 660359653 /nfs/dbraw/zinc/35/96/53/660359653.db2.gz KLYXHBWCLFJYQE-ZDUSSCGKSA-N 0 1 381.274 2.792 20 0 GFADMN CCCCC[C@H](O)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000823003866 660359655 /nfs/dbraw/zinc/35/96/55/660359655.db2.gz KLYXHBWCLFJYQE-ZDUSSCGKSA-N 0 1 381.274 2.792 20 0 GFADMN Brc1ccc(C2(c3noc(C[C@@H]4COCCN4)n3)CCC2)s1 ZINC000823189537 660364408 /nfs/dbraw/zinc/36/44/08/660364408.db2.gz GMDIDPXGLANEPU-SNVBAGLBSA-N 0 1 384.299 2.895 20 0 GFADMN Cn1nc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1Br ZINC000823899619 660382671 /nfs/dbraw/zinc/38/26/71/660382671.db2.gz KIZWIUMQJKKKJR-UHFFFAOYSA-N 0 1 377.286 2.531 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000824247309 660388093 /nfs/dbraw/zinc/38/80/93/660388093.db2.gz OWNONLMQGBFWQZ-UHFFFAOYSA-N 0 1 385.306 2.727 20 0 GFADMN Cc1c(Br)ccc(F)c1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000824258289 660388218 /nfs/dbraw/zinc/38/82/18/660388218.db2.gz HCUNOVFZEDAMOT-LLVKDONJSA-N 0 1 383.221 2.796 20 0 GFADMN CC(C)c1nc(CNC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)n[nH]1 ZINC000824491266 660394023 /nfs/dbraw/zinc/39/40/23/660394023.db2.gz PFCYFBJBUPJDAB-UHFFFAOYSA-N 0 1 380.865 2.760 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)NCC(=O)c2c(Cl)cccc2Cl)cc1=O ZINC000824603428 660397964 /nfs/dbraw/zinc/39/79/64/660397964.db2.gz UMUUITPKSLFVHB-UHFFFAOYSA-N 0 1 384.263 2.681 20 0 GFADMN C[C@](CO)(NCc1ccc(OCC(N)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000825130016 660412166 /nfs/dbraw/zinc/41/21/66/660412166.db2.gz KKCJBNHNBVBTSM-GOSISDBHSA-N 0 1 383.275 2.855 20 0 GFADMN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1cc(Br)[nH]n1 ZINC000825330663 660421096 /nfs/dbraw/zinc/42/10/96/660421096.db2.gz BYMKXJINWWITGS-LBPRGKRZSA-N 0 1 395.282 2.634 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)cc1=O ZINC000825717370 660439310 /nfs/dbraw/zinc/43/93/10/660439310.db2.gz BQJHTYXAQCQMPW-CQSZACIVSA-N 0 1 386.279 2.532 20 0 GFADMN Cc1cc(I)cc(C(=O)N2CCC[C@H]2c2nnc[nH]2)c1 ZINC000826965329 660474078 /nfs/dbraw/zinc/47/40/78/660474078.db2.gz QHRCZTIBISWROM-LBPRGKRZSA-N 0 1 382.205 2.695 20 0 GFADMN CCOc1cc(CN(C)CCN(C)C(=O)OC)cc(Br)c1OC ZINC000827334422 660489639 /nfs/dbraw/zinc/48/96/39/660489639.db2.gz CFCZLCDCSNJKON-UHFFFAOYSA-N 0 1 389.290 2.986 20 0 GFADMN C[C@@H](CS(C)(=O)=O)N(C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827920472 660522995 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COC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486288 563562133 /nfs/dbraw/zinc/56/21/33/563562133.db2.gz LPBKGWFZZGTVAX-SWLSCSKDSA-N 0 1 381.778 2.507 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)c2cccn2-c2c(Cl)cccc2Cl)C1 ZINC000409682204 563568097 /nfs/dbraw/zinc/56/80/97/563568097.db2.gz DHXSCSPKOIFGAW-CYBMUJFWSA-N 0 1 381.307 2.760 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@H]1CCCO ZINC000332031448 563571992 /nfs/dbraw/zinc/57/19/92/563571992.db2.gz VHKOTZMKXRZFEZ-LBPRGKRZSA-N 0 1 379.254 2.668 20 0 GFADMN C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@@H]1CCCOC1 ZINC000332070974 563574378 /nfs/dbraw/zinc/57/43/78/563574378.db2.gz WNTMWNNUBGSNJQ-VHSXEESVSA-N 0 1 399.232 2.712 20 0 GFADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000332115682 563577775 /nfs/dbraw/zinc/57/77/75/563577775.db2.gz BKULRCCMXAOAJY-GHMZBOCLSA-N 0 1 397.248 2.880 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C[C@@H]1C ZINC000332225913 563585276 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563623273 /nfs/dbraw/zinc/62/32/73/563623273.db2.gz VSWBZYKXWLJDAP-INIZCTEOSA-N 0 1 384.318 2.620 20 0 GFADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(F)ccc2Br)cn1 ZINC000433978919 563623874 /nfs/dbraw/zinc/62/38/74/563623874.db2.gz NBYMYSKYVALHGG-WBVHZDCISA-N 0 1 395.276 2.914 20 0 GFADMN CC(C)(CN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O)c1cccc(Br)c1 ZINC000288094434 563628946 /nfs/dbraw/zinc/62/89/46/563628946.db2.gz AHAZJVQFSIFRTR-AWEZNQCLSA-N 0 1 391.269 2.613 20 0 GFADMN O=C(c1cc(F)ccc1Br)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333373013 563629513 /nfs/dbraw/zinc/62/95/13/563629513.db2.gz FYBNIBFISMIJOP-UHFFFAOYSA-N 0 1 393.260 2.865 20 0 GFADMN C[C@H](N[C@@H](c1cncc(Br)c1)C1CC1)C(=O)NCC(F)(F)F ZINC000411704654 563630419 /nfs/dbraw/zinc/63/04/19/563630419.db2.gz UKFNHWYRIMYLON-QPUJVOFHSA-N 0 1 380.208 2.952 20 0 GFADMN CN(CCCCCO)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000434408573 563630756 /nfs/dbraw/zinc/63/07/56/563630756.db2.gz JXDBRWJZMRCOLT-UHFFFAOYSA-N 0 1 396.289 2.538 20 0 GFADMN CN(CCCCCO)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000434408573 563630762 /nfs/dbraw/zinc/63/07/62/563630762.db2.gz JXDBRWJZMRCOLT-UHFFFAOYSA-N 0 1 396.289 2.538 20 0 GFADMN CC(C)N(C)C(=O)CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000411743250 563632471 /nfs/dbraw/zinc/63/24/71/563632471.db2.gz GYNQSXYHGHAMRR-CYBMUJFWSA-N 0 1 387.318 2.728 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000288195612 563633285 /nfs/dbraw/zinc/63/32/85/563633285.db2.gz NXSATWNIPSUNIC-NSHDSACASA-N 0 1 383.901 2.671 20 0 GFADMN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000288196387 563633414 /nfs/dbraw/zinc/63/34/14/563633414.db2.gz PZHJSYZJPQFYAG-FQOARCPFSA-N 0 1 385.885 2.976 20 0 GFADMN CN(CCN1CCOC(C)(C)C1)Cc1cc2c(c(Br)c1)OCO2 ZINC000434709744 563635625 /nfs/dbraw/zinc/63/56/25/563635625.db2.gz VOCFUCBQEPDRJS-UHFFFAOYSA-N 0 1 385.302 2.720 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000434730736 563636465 /nfs/dbraw/zinc/63/64/65/563636465.db2.gz SVIINATXPIZWDZ-WBVHZDCISA-N 0 1 384.567 2.512 20 0 GFADMN CC(C)N(CC(=O)N[C@@H](C)c1ccc(Br)cc1)C[C@@H]1CCC(=O)N1 ZINC000412096388 563648676 /nfs/dbraw/zinc/64/86/76/563648676.db2.gz YSIHYYJLFUPPTM-BBRMVZONSA-N 0 1 396.329 2.615 20 0 GFADMN Cc1cccc(CS(=O)(=O)CCC(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000412187157 563649965 /nfs/dbraw/zinc/64/99/65/563649965.db2.gz BJTDMHGCQAHHIJ-UHFFFAOYSA-N 0 1 375.372 2.681 20 0 GFADMN COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435435739 563651577 /nfs/dbraw/zinc/65/15/77/563651577.db2.gz ZHTRORNYSIOGPR-QMMMGPOBSA-N 0 1 380.171 2.608 20 0 GFADMN Cc1nnc(SCC(=O)NCc2cccc(Br)c2Cl)[nH]1 ZINC000412493148 563659996 /nfs/dbraw/zinc/65/99/96/563659996.db2.gz ULTQORILTHTSGM-UHFFFAOYSA-N 0 1 375.679 2.938 20 0 GFADMN Cc1n[nH]c(SCC(=O)NCc2cccc(Br)c2Cl)n1 ZINC000412493148 563660000 /nfs/dbraw/zinc/66/00/00/563660000.db2.gz ULTQORILTHTSGM-UHFFFAOYSA-N 0 1 375.679 2.938 20 0 GFADMN CCN1CCN(c2ccc(CNC(=O)c3ccoc3Br)cn2)CC1 ZINC000435961042 563661614 /nfs/dbraw/zinc/66/16/14/563661614.db2.gz ALTRTTVCFVCEIG-UHFFFAOYSA-N 0 1 393.285 2.509 20 0 GFADMN COC(=O)COc1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000436528018 563673483 /nfs/dbraw/zinc/67/34/83/563673483.db2.gz NATAUSITZBJENA-UHFFFAOYSA-N 0 1 380.194 2.959 20 0 GFADMN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1O ZINC000436566771 563674228 /nfs/dbraw/zinc/67/42/28/563674228.db2.gz YKBWXJOXSMRKFP-UHFFFAOYSA-N 0 1 384.816 2.878 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436629449 563675153 /nfs/dbraw/zinc/67/51/53/563675153.db2.gz JOLZKYYVABYERD-BXKDBHETSA-N 0 1 395.308 2.537 20 0 GFADMN COC(=O)[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000412939943 563675502 /nfs/dbraw/zinc/67/55/02/563675502.db2.gz VPTMJJUSNSAFHY-INIZCTEOSA-N 0 1 380.242 2.741 20 0 GFADMN CN(C)c1[nH+]cc(CNC(=O)c2cc(Br)cc(Cl)c2[O-])n1C ZINC000436773810 563679342 /nfs/dbraw/zinc/67/93/42/563679342.db2.gz TZKYMXPQHLPHEU-UHFFFAOYSA-N 0 1 387.665 2.538 20 0 GFADMN CS[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1[NH+]1CCCC1 ZINC000436916463 563684598 /nfs/dbraw/zinc/68/45/98/563684598.db2.gz WMJZEUIJVWHUIP-UKRRQHHQSA-N 0 1 385.327 2.807 20 0 GFADMN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000436937848 563686070 /nfs/dbraw/zinc/68/60/70/563686070.db2.gz JQVVBXBTNHVAAO-NEPJUHHUSA-N 0 1 388.249 2.599 20 0 GFADMN Oc1cc(Br)ccc1-c1nc(-c2cnc(NCC(F)F)cn2)no1 ZINC000436957558 563686951 /nfs/dbraw/zinc/68/69/51/563686951.db2.gz YGDDRNYJIFGNAD-UHFFFAOYSA-N 0 1 398.167 3.339 20 0 GFADMN O=C(c1c(O)cccc1F)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000436991999 563687310 /nfs/dbraw/zinc/68/73/10/563687310.db2.gz XKUVOJSNCHZVEG-OAHLLOKOSA-N 0 1 393.212 2.607 20 0 GFADMN C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000437001273 563688608 /nfs/dbraw/zinc/68/86/08/563688608.db2.gz CJKSERQHNCPHAE-JKSUJKDBSA-N 0 1 375.266 2.982 20 0 GFADMN C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000437001273 563688610 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O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(Cc2cccc(I)c2)C1 ZINC000449429235 564185897 /nfs/dbraw/zinc/18/58/97/564185897.db2.gz ANORVXYVUBWEOY-FVQBIDKESA-N 0 1 387.261 2.653 20 0 GFADMN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449419006 564185939 /nfs/dbraw/zinc/18/59/39/564185939.db2.gz GJOSQBCCFSXXRD-WOSRLPQWSA-N 0 1 399.329 2.555 20 0 GFADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c1 ZINC000471119901 564186782 /nfs/dbraw/zinc/18/67/82/564186782.db2.gz AWLKWPNWGXZDIJ-UHFFFAOYSA-N 0 1 389.882 2.948 20 0 GFADMN COc1ccc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000563492084 564193248 /nfs/dbraw/zinc/19/32/48/564193248.db2.gz WWRJZPRDPBTOAJ-CYBMUJFWSA-N 0 1 397.313 2.783 20 0 GFADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000506390753 564202425 /nfs/dbraw/zinc/20/24/25/564202425.db2.gz ZROZWLQTROHILB-OAHLLOKOSA-N 0 1 399.248 2.850 20 0 GFADMN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccsc2)c1)n1cccn1 ZINC000506677256 564209332 /nfs/dbraw/zinc/20/93/32/564209332.db2.gz 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CC(C)c1nc([C@H](C)NC(=O)[C@H]2Cc3cc(Br)ccc3O2)n[nH]1 ZINC000472441518 564223464 /nfs/dbraw/zinc/22/34/64/564223464.db2.gz YNJSLBFMINDBNH-TVQRCGJNSA-N 0 1 379.258 2.872 20 0 GFADMN CN(C)Cc1ccc(CNC(=O)Nc2ccncc2Br)cc1F ZINC000507257067 564224427 /nfs/dbraw/zinc/22/44/27/564224427.db2.gz IZEJFWDWTPWXBV-UHFFFAOYSA-N 0 1 381.249 2.788 20 0 GFADMN O=C(NCC[C@@H]1CCCCO1)c1n[nH]c2ccc(I)cc21 ZINC000507598473 564234584 /nfs/dbraw/zinc/23/45/84/564234584.db2.gz CDPKNHHXNONMFV-NSHDSACASA-N 0 1 399.232 2.857 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc(S(C)(=O)=O)c1 ZINC000507621490 564235260 /nfs/dbraw/zinc/23/52/60/564235260.db2.gz OBBOLXOFTULSPX-UHFFFAOYSA-N 0 1 393.845 2.692 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCCC2)sc1Br ZINC000540039462 564238270 /nfs/dbraw/zinc/23/82/70/564238270.db2.gz HYDPIIKPAAUKAQ-UHFFFAOYSA-N 0 1 396.376 2.757 20 0 GFADMN Cc1cc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCN(C)CC3)cc2)sc1C ZINC000540211260 564241745 /nfs/dbraw/zinc/24/17/45/564241745.db2.gz 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COC(=O)c1cnc(NC(=O)c2ccc(CN3CCSCC3)cc2)s1 ZINC000508769161 564272482 /nfs/dbraw/zinc/27/24/82/564272482.db2.gz NEAZDRDTTNRUFY-UHFFFAOYSA-N 0 1 377.491 2.731 20 0 GFADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451092937 564272897 /nfs/dbraw/zinc/27/28/97/564272897.db2.gz ZDVPSHHRCSLLMF-HNNXBMFYSA-N 0 1 378.460 2.955 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000508943728 564276580 /nfs/dbraw/zinc/27/65/80/564276580.db2.gz VQVPODFRLAJSDM-ZCFIWIBFSA-N 0 1 375.738 2.601 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C)n2)cc1Cl ZINC000508947710 564276965 /nfs/dbraw/zinc/27/69/65/564276965.db2.gz KTQYXXHKGGJCQT-SSDOTTSWSA-N 0 1 386.239 2.635 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2ccccc2Br)C1 ZINC000508918146 564277135 /nfs/dbraw/zinc/27/71/35/564277135.db2.gz ZQTWNLNZJCSEMZ-GJZGRUSLSA-N 0 1 399.329 2.691 20 0 GFADMN CSc1cccc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1 ZINC000509089298 564281799 /nfs/dbraw/zinc/28/17/99/564281799.db2.gz IVJQUECBVWUDGN-UHFFFAOYSA-N 0 1 386.520 2.605 20 0 GFADMN C[C@H](O)[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000541561869 564283922 /nfs/dbraw/zinc/28/39/22/564283922.db2.gz LXTSDPDOGQDCJO-QWRGUYRKSA-N 0 1 379.254 2.524 20 0 GFADMN O=C(Nc1ccc(Cl)cc1Cl)N1CCC(O)(CN2CCOCC2)CC1 ZINC000541787918 564288761 /nfs/dbraw/zinc/28/87/61/564288761.db2.gz YESSHPZMRYIYRD-UHFFFAOYSA-N 0 1 388.295 2.684 20 0 GFADMN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000565657130 564289995 /nfs/dbraw/zinc/28/99/95/564289995.db2.gz ZKVZSLGNQMYPTB-UHFFFAOYSA-N 0 1 375.741 2.830 20 0 GFADMN CN(C)[C@]1(CNS(=O)(=O)c2cccc3c(Cl)ccnc32)CCSC1 ZINC000451280297 564295144 /nfs/dbraw/zinc/29/51/44/564295144.db2.gz ZRNSXNSYUXAJPA-INIZCTEOSA-N 0 1 385.942 2.604 20 0 GFADMN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1F ZINC000509388691 564295587 /nfs/dbraw/zinc/29/55/87/564295587.db2.gz ZFPYFLVRGQSNSG-UHFFFAOYSA-N 0 1 375.324 2.700 20 0 GFADMN Cc1cc(CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)ccc1Cl ZINC000565807862 564296664 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0 1 378.469 2.981 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000834111001 605388040 /nfs/dbraw/zinc/38/80/40/605388040.db2.gz YSIKKMHMNHSXDU-KFKAGJAMSA-N 0 1 387.480 2.905 20 0 GFADMN O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000833994990 605397676 /nfs/dbraw/zinc/39/76/76/605397676.db2.gz GUJJIQVZJZRQPM-SFHVURJKSA-N 0 1 377.460 2.783 20 0 GFADMN O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000833994990 605397682 /nfs/dbraw/zinc/39/76/82/605397682.db2.gz GUJJIQVZJZRQPM-SFHVURJKSA-N 0 1 377.460 2.783 20 0 GFADMN O=C([O-])N1CC[C@H](CCC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000834072734 605439797 /nfs/dbraw/zinc/43/97/97/605439797.db2.gz PPMXZCDYFLTRMB-KRWDZBQOSA-N 0 1 385.508 2.816 20 0 GFADMN C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312689613 605445542 /nfs/dbraw/zinc/44/55/42/605445542.db2.gz MJBMNRRDEKXNOP-CRAIPNDOSA-N 0 1 388.489 2.574 20 0 GFADMN 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Cn1cc(C(F)F)c(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)n1 ZINC000870978777 662712175 /nfs/dbraw/zinc/71/21/75/662712175.db2.gz BRKBPBXVOZCJTC-HNNXBMFYSA-N 0 1 387.228 2.611 20 0 GFADMN O=S(=O)([N-]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cc(F)cc1Cl ZINC000871811861 662734946 /nfs/dbraw/zinc/73/49/46/662734946.db2.gz WELJSKTXJMZPIR-NSHDSACASA-N 0 1 397.299 2.570 20 0 GFADMN CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000871869996 662738465 /nfs/dbraw/zinc/73/84/65/662738465.db2.gz COJGLFSWCHSPBC-NSHDSACASA-N 0 1 392.880 2.720 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)C[C@@H]1C ZINC000871887342 662739707 /nfs/dbraw/zinc/73/97/07/662739707.db2.gz NQTMTOOTWQSETF-AAEUAGOBSA-N 0 1 388.917 2.840 20 0 GFADMN CC(C)[C@H]1CCC2=NN(c3ncnc4c3c(Br)nn4C)C(=O)[C@@H]2C1 ZINC000871950275 662745807 /nfs/dbraw/zinc/74/58/07/662745807.db2.gz ZRTBRJQDDSKEKP-VHSXEESVSA-N 0 1 391.273 2.901 20 0 GFADMN Cn1ncc(I)c1CN[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872092484 662755882 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ZINC000873976807 662820478 /nfs/dbraw/zinc/82/04/78/662820478.db2.gz SFVXNPCAHCDUNI-ZDUSSCGKSA-N 0 1 391.313 2.842 20 0 GFADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(O)c3Br)C2)cn1 ZINC000874049141 662821304 /nfs/dbraw/zinc/82/13/04/662821304.db2.gz ZEYCWYIOGQNEDA-OLZOCXBDSA-N 0 1 394.269 2.579 20 0 GFADMN Cc1c(CN2CCSCC2)cccc1NC(=O)/C=C1\SCC(=O)N1C ZINC000874252565 662826758 /nfs/dbraw/zinc/82/67/58/662826758.db2.gz OEHMBLAPIQJZMP-ZDLGFXPLSA-N 0 1 377.535 2.529 20 0 GFADMN O=C(N[C@H]1CC12CCC2)c1c[nH]c2ccc(I)cc2c1=O ZINC000874783284 662836844 /nfs/dbraw/zinc/83/68/44/662836844.db2.gz XBSDESCBUXHUNC-ZDUSSCGKSA-N 0 1 394.212 2.805 20 0 GFADMN CN(C)C[C@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000875458089 662846336 /nfs/dbraw/zinc/84/63/36/662846336.db2.gz RSQBFZGHDRUANR-INIZCTEOSA-N 0 1 382.295 2.928 20 0 GFADMN Cc1ccc(CN2CCC(C(=O)NCCCO)CC2)c(C)c1Br ZINC000876578043 662863064 /nfs/dbraw/zinc/86/30/64/662863064.db2.gz ZEWDZOSYXZZCRK-UHFFFAOYSA-N 0 1 383.330 2.777 20 0 GFADMN COc1cccc(C[C@@H](N)C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000876657560 662864514 /nfs/dbraw/zinc/86/45/14/662864514.db2.gz HRNMNGPMRBNCHA-SJORKVTESA-N 0 1 383.275 2.722 20 0 GFADMN O=[S@](CCNCc1c(C(F)(F)F)nc2n1CCCC2)CC(F)(F)F ZINC000877622132 662880224 /nfs/dbraw/zinc/88/02/24/662880224.db2.gz GJJSSEXCCHDAKN-XMMPIXPASA-N 0 1 377.354 2.639 20 0 GFADMN Cn1ncc(Br)c1CNCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877675647 662881496 /nfs/dbraw/zinc/88/14/96/662881496.db2.gz UQQVPYRZDZCMFD-UHFFFAOYSA-N 0 1 375.311 2.823 20 0 GFADMN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267426 662892714 /nfs/dbraw/zinc/89/27/14/662892714.db2.gz XIJXEWOXNWATOG-IXPVHAAZSA-N 0 1 383.242 2.611 20 0 GFADMN COC(=O)[C@H](C)[C@H](NC[C@@H](O)c1cc(Br)no1)c1ccccc1 ZINC000878267424 662892718 /nfs/dbraw/zinc/89/27/18/662892718.db2.gz XIJXEWOXNWATOG-HCKVZZMMSA-N 0 1 383.242 2.611 20 0 GFADMN OCC[C@H](NC[C@@H](O)CC1(CO)CCCC1)c1ccccc1Br ZINC000878396945 662895365 /nfs/dbraw/zinc/89/53/65/662895365.db2.gz QBUADVIMHQYSJI-YOEHRIQHSA-N 0 1 386.330 2.766 20 0 GFADMN OCC[C@H](NC[C@@H](O)C[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000878395796 662895376 /nfs/dbraw/zinc/89/53/76/662895376.db2.gz GBZCWPAALZCWBQ-ZYSHUDEJSA-N 0 1 394.309 2.947 20 0 GFADMN O[C@H](CN1CCCN2c3ccccc3C[C@H]2C1)c1cc(Br)no1 ZINC000878627958 662900936 /nfs/dbraw/zinc/90/09/36/662900936.db2.gz CPGOVRGIHMTVBX-DZGCQCFKSA-N 0 1 378.270 2.608 20 0 GFADMN Cn1cc([C@@H]2CN(Cc3ncccc3Br)CC23CCOCC3)cn1 ZINC000878674274 662902245 /nfs/dbraw/zinc/90/22/45/662902245.db2.gz WBFXMGHMQFWSMR-HNNXBMFYSA-N 0 1 391.313 2.974 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cn2cc(Br)ncc2n1 ZINC000879516495 662928226 /nfs/dbraw/zinc/92/82/26/662928226.db2.gz KOTWOTHEBWQWJD-RTHLEPHNSA-N 0 1 375.230 2.520 20 0 GFADMN Cn1nc(Br)cc1NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000879637002 662931162 /nfs/dbraw/zinc/93/11/62/662931162.db2.gz KYUSISKOYCALKV-ZDUSSCGKSA-N 0 1 378.274 2.579 20 0 GFADMN COCCN(CC(=O)Nc1ccc(Br)cc1C)C1CCOCC1 ZINC000879708297 662937561 /nfs/dbraw/zinc/93/75/61/662937561.db2.gz JEMHTFHUTSNVDQ-UHFFFAOYSA-N 0 1 385.302 2.823 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000879897543 662941787 /nfs/dbraw/zinc/94/17/87/662941787.db2.gz LRGRQGCIXDAJIU-GTTSAUCSSA-N 0 1 378.270 2.688 20 0 GFADMN C[C@H](CNC(=O)Nc1cn(C)nc1Br)N1CCc2ccccc2C1 ZINC000880040992 662946658 /nfs/dbraw/zinc/94/66/58/662946658.db2.gz MFMRMWOJQWRHGD-GFCCVEGCSA-N 0 1 392.301 2.751 20 0 GFADMN CC(C)S(=O)(=O)CCCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218345 662955047 /nfs/dbraw/zinc/95/50/47/662955047.db2.gz MICIAKYMUOAYOH-IYBDPMFKSA-N 0 1 390.343 2.602 20 0 GFADMN C[C@@H]1CCN(C(=O)c2cnc(CC3CC3)s2)C[C@@H]1NC(=O)C(F)(F)F ZINC000880770400 662968831 /nfs/dbraw/zinc/96/88/31/662968831.db2.gz JEZRAQBJJUYYJD-KOLCDFICSA-N 0 1 375.416 2.625 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)Nc1cccc(F)c1Br ZINC000881135520 662982241 /nfs/dbraw/zinc/98/22/41/662982241.db2.gz GRDXLSYJODAXFW-JTQLQIEISA-N 0 1 384.209 2.880 20 0 GFADMN CCCCOC(=O)[C@@H](C)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000881292437 662989060 /nfs/dbraw/zinc/98/90/60/662989060.db2.gz FNDRNMXPBLYSOO-ABAIWWIYSA-N 0 1 381.274 2.993 20 0 GFADMN N[C@@H](c1cn(C[C@H]2CC3(CCC3)C(=O)O2)nn1)c1ccc(Br)cc1 ZINC000881371743 662991874 /nfs/dbraw/zinc/99/18/74/662991874.db2.gz VXRICBQYOKMRRH-UKRRQHHQSA-N 0 1 391.269 2.575 20 0 GFADMN CC1(C)OC[C@@H](CCn2cc([C@H](N)c3ccc(Br)cc3)nn2)O1 ZINC000881395709 662992548 /nfs/dbraw/zinc/99/25/48/662992548.db2.gz UOFFJHDUHICLTF-UKRRQHHQSA-N 0 1 381.274 2.630 20 0 GFADMN C[C@H]1CCCCN1CCNc1cnn(CC(F)(F)F)c(=O)c1Br ZINC000881809338 663004290 /nfs/dbraw/zinc/00/42/90/663004290.db2.gz WXNBEDGGVVWYEH-JTQLQIEISA-N 0 1 397.239 2.854 20 0 GFADMN C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)[C@H](O)c1ccc(F)cc1 ZINC000881921906 663009914 /nfs/dbraw/zinc/00/99/14/663009914.db2.gz HAYYPHQIKUWLAW-KYKLJTSTSA-N 0 1 392.518 2.513 20 0 GFADMN C[C@H](NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1)[C@H](O)c1cccc(F)c1 ZINC000881964305 663011373 /nfs/dbraw/zinc/01/13/73/663011373.db2.gz MJHAYPQNLAYDQX-PJTAIMHYSA-N 0 1 392.518 2.513 20 0 GFADMN C[S@](=O)(=NS(=O)(=O)NCc1cc(F)cnc1Cl)C1CCCCC1 ZINC000882226195 663021403 /nfs/dbraw/zinc/02/14/03/663021403.db2.gz LMPQEFRFMFWJJF-JOCHJYFZSA-N 0 1 383.898 2.639 20 0 GFADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882246539 663022315 /nfs/dbraw/zinc/02/23/15/663022315.db2.gz RNMMUXABFOBXDR-JTQLQIEISA-N 0 1 385.839 2.857 20 0 GFADMN O=S(=O)(NC[C@H]1CCC2(CCOCC2)CO1)c1c(Cl)ccc(F)c1F ZINC000882584124 663032627 /nfs/dbraw/zinc/03/26/27/663032627.db2.gz LAOYZVFAHPJSNB-LLVKDONJSA-N 0 1 395.855 2.872 20 0 GFADMN CCc1nc(C)c(NS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)s1 ZINC000882716613 663038152 /nfs/dbraw/zinc/03/81/52/663038152.db2.gz XOHQWBMHZDAOJW-QHCPKHFHSA-N 0 1 388.540 2.674 20 0 GFADMN CN=[S@@](C)(=O)c1cccc(NS(=O)(=O)c2cc(OC)cc(OC)c2)c1 ZINC000882736361 663039223 /nfs/dbraw/zinc/03/92/23/663039223.db2.gz IVXOJNSPGXNRJP-DEOSSOPVSA-N 0 1 384.479 2.591 20 0 GFADMN COc1ccc(NC(=O)N2CCc3sc(CN)nc3C2)c(Br)c1 ZINC000883539346 663056786 /nfs/dbraw/zinc/05/67/86/663056786.db2.gz XCZYOXWDXZNTSY-UHFFFAOYSA-N 0 1 397.298 2.963 20 0 GFADMN CCOC(=O)c1c(C)csc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC000883547885 663056894 /nfs/dbraw/zinc/05/68/94/663056894.db2.gz AHORTHCYLQGCGO-UHFFFAOYSA-N 0 1 380.495 2.739 20 0 GFADMN Cc1cnc(Br)cc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC000883557322 663057033 /nfs/dbraw/zinc/05/70/33/663057033.db2.gz YFIKHICRGPALCG-UHFFFAOYSA-N 0 1 382.287 2.658 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@@H](C)N1 ZINC000884030367 663063924 /nfs/dbraw/zinc/06/39/24/663063924.db2.gz MZKQWGZDBPGKJF-NXEZZACHSA-N 0 1 398.692 2.506 20 0 GFADMN CSCc1n[nH]c(CNC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000884021201 663063986 /nfs/dbraw/zinc/06/39/86/663063986.db2.gz VAUSLXZXBZUANW-UHFFFAOYSA-N 0 1 375.376 2.566 20 0 GFADMN CSCc1nnc(CNC(=O)NCc2ccc(OC(F)(F)F)cc2)[nH]1 ZINC000884021201 663063987 /nfs/dbraw/zinc/06/39/87/663063987.db2.gz VAUSLXZXBZUANW-UHFFFAOYSA-N 0 1 375.376 2.566 20 0 GFADMN CCOC(=O)c1ccc(CNC(=O)[C@@H](N)c2ccc(Br)cc2)o1 ZINC000884133020 663065643 /nfs/dbraw/zinc/06/56/43/663065643.db2.gz JCUVCPOASPOWSV-AWEZNQCLSA-N 0 1 381.226 2.535 20 0 GFADMN CO[C@H](C)c1nc(CNC(=O)[C@H](N)c2ccc(Br)cc2)cs1 ZINC000884232506 663067460 /nfs/dbraw/zinc/06/74/60/663067460.db2.gz UDAPAIJACITAMY-NOZJJQNGSA-N 0 1 384.299 2.929 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC000884305327 663068401 /nfs/dbraw/zinc/06/84/01/663068401.db2.gz SJSPXNVUTNVMNP-LURJTMIESA-N 0 1 380.421 2.703 20 0 GFADMN CSCc1nnc(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)[nH]1 ZINC000884305327 663068403 /nfs/dbraw/zinc/06/84/03/663068403.db2.gz SJSPXNVUTNVMNP-LURJTMIESA-N 0 1 380.421 2.703 20 0 GFADMN CSCc1n[nH]c(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)n1 ZINC000884384036 663069870 /nfs/dbraw/zinc/06/98/70/663069870.db2.gz BRIQITBCUMOBBY-UHFFFAOYSA-N 0 1 390.296 2.853 20 0 GFADMN CSCc1nnc(CNC(=O)NCCOc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000884384036 663069872 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NC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000171795038 551664120 /nfs/dbraw/zinc/66/41/20/551664120.db2.gz SYCFKBFFGUYJQD-UHFFFAOYSA-N 0 1 388.225 2.746 20 0 GFADMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000171950519 551667612 /nfs/dbraw/zinc/66/76/12/551667612.db2.gz OFIMYPMRIIXMIB-GFCCVEGCSA-N 0 1 375.922 2.507 20 0 GFADMN COc1ccc(Br)c(C(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000172460751 551679254 /nfs/dbraw/zinc/67/92/54/551679254.db2.gz OCRLKYRIBQGLEX-UHFFFAOYSA-N 0 1 397.313 2.642 20 0 GFADMN O=C(c1ccc(Br)c(F)c1)N1CCN(CC2CCOCC2)CC1 ZINC000172463283 551680035 /nfs/dbraw/zinc/68/00/35/551680035.db2.gz GRVVUGZQPABBER-UHFFFAOYSA-N 0 1 385.277 2.773 20 0 GFADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CCO2)n[nH]1 ZINC000173090490 551695328 /nfs/dbraw/zinc/69/53/28/551695328.db2.gz MXNPJINQHAOPBG-KFWWJZLASA-N 0 1 391.269 2.579 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000173090010 551695484 /nfs/dbraw/zinc/69/54/84/551695484.db2.gz 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552142029 /nfs/dbraw/zinc/14/20/29/552142029.db2.gz UPCTWGBVAPPAGZ-RTNKVPBISA-N 0 1 385.599 2.901 20 0 GFADMN C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1nnc[nH]1 ZINC000176674790 552143488 /nfs/dbraw/zinc/14/34/88/552143488.db2.gz BBOPPZZXJMDLGZ-SMDDNHRTSA-N 0 1 378.274 2.582 20 0 GFADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000176795029 552145932 /nfs/dbraw/zinc/14/59/32/552145932.db2.gz HDVPPXGJCDQLIW-UHFFFAOYSA-N 0 1 378.441 2.918 20 0 GFADMN O=S(=O)(c1ccc(Br)c(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000178691734 552173915 /nfs/dbraw/zinc/17/39/15/552173915.db2.gz KJJXNAGHWZONDV-SNVBAGLBSA-N 0 1 379.707 2.571 20 0 GFADMN CC(=O)NC[C@@H]1CCCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000178875556 552178359 /nfs/dbraw/zinc/17/83/59/552178359.db2.gz VDYOWHGXFJLMDB-HNNXBMFYSA-N 0 1 391.313 2.983 20 0 GFADMN CCOCCO[C@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000178899845 552178589 /nfs/dbraw/zinc/17/85/89/552178589.db2.gz WPRBRTWOSKJJJE-LBPRGKRZSA-N 0 1 382.258 2.593 20 0 GFADMN CN(CCOc1ccc(Br)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000179258778 552188280 /nfs/dbraw/zinc/18/82/80/552188280.db2.gz OWXJEJNBSRXNNK-AWEZNQCLSA-N 0 1 387.343 2.724 20 0 GFADMN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@@H]2C1 ZINC000179286089 552188782 /nfs/dbraw/zinc/18/87/82/552188782.db2.gz XNLVNNQHXQVVSR-KCPJHIHWSA-N 0 1 394.269 2.734 20 0 GFADMN CNC(=O)CCN(C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000179409042 552192222 /nfs/dbraw/zinc/19/22/22/552192222.db2.gz HWURRCWNSZKSPJ-UHFFFAOYSA-N 0 1 379.302 2.820 20 0 GFADMN CC[C@H](CO)N1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000179410816 552192759 /nfs/dbraw/zinc/19/27/59/552192759.db2.gz GIGAADFOQXVLTH-CQSZACIVSA-N 0 1 389.721 2.560 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)ccc1Br ZINC000179682502 552200374 /nfs/dbraw/zinc/20/03/74/552200374.db2.gz XSAGEPQULSLRJP-ZDUSSCGKSA-N 0 1 385.287 2.792 20 0 GFADMN O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179683915 552200487 /nfs/dbraw/zinc/20/04/87/552200487.db2.gz PKQJJYRRXHCAFA-MRVPVSSYSA-N 0 1 377.289 2.545 20 0 GFADMN CNC(=O)C1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000179823638 552204191 /nfs/dbraw/zinc/20/41/91/552204191.db2.gz KGTRGVYUDXIKFU-UHFFFAOYSA-N 0 1 377.286 2.593 20 0 GFADMN Cc1nc(S(=O)(=O)NCC(C)(C)[C@H](O)C(C)C)sc1Br ZINC000180114704 552213863 /nfs/dbraw/zinc/21/38/63/552213863.db2.gz NGKZMSQPPOORER-SECBINFHSA-N 0 1 385.349 2.535 20 0 GFADMN O=C(Nc1nc(SCCO)n[nH]1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000180353896 552223614 /nfs/dbraw/zinc/22/36/14/552223614.db2.gz RCLKJPQAEVHZRW-UHFFFAOYSA-N 0 1 399.263 2.634 20 0 GFADMN Cc1cc(NC(=O)CNC(C)(C)COc2ncccc2Br)no1 ZINC000180396505 552224850 /nfs/dbraw/zinc/22/48/50/552224850.db2.gz WAQOYBUXLXWKQY-UHFFFAOYSA-N 0 1 383.246 2.526 20 0 GFADMN CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cn1C ZINC000180611670 552231354 /nfs/dbraw/zinc/23/13/54/552231354.db2.gz JHDLIJWKNXTZBX-UHFFFAOYSA-N 0 1 376.265 2.835 20 0 GFADMN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2Br)n[nH]1 ZINC000180928038 552240485 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C[C@@H](NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)c1nnc[nH]1 ZINC000183197337 552302859 /nfs/dbraw/zinc/30/28/59/552302859.db2.gz BLJUMHAYDIUMLX-ZCFIWIBFSA-N 0 1 399.192 2.626 20 0 GFADMN O=C(N[C@@H](CO)c1cccc(Br)c1)c1c[nH]c2ccccc2c1=O ZINC000183597658 552313984 /nfs/dbraw/zinc/31/39/84/552313984.db2.gz KFBAUOKCRMJCPN-INIZCTEOSA-N 0 1 387.233 2.754 20 0 GFADMN O=C(CN[C@@H](CO)c1ccccc1)Nc1ccc(I)cc1 ZINC000183655183 552315724 /nfs/dbraw/zinc/31/57/24/552315724.db2.gz NLZDJPZFFDKWNZ-HNNXBMFYSA-N 0 1 396.228 2.553 20 0 GFADMN C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C2 ZINC000185059153 552352348 /nfs/dbraw/zinc/35/23/48/552352348.db2.gz LCZPEIXHWOOIEP-WDEREUQCSA-N 0 1 393.292 2.549 20 0 GFADMN Cc1ccc(CCC(=O)N2CCN(CC(C)(C)O)CC2)c(Br)c1 ZINC000185519406 552364994 /nfs/dbraw/zinc/36/49/94/552364994.db2.gz YUQQPEFYAHAJSA-UHFFFAOYSA-N 0 1 383.330 2.605 20 0 GFADMN Cc1nc(NC(=O)N2CCN(CC3CCOCC3)CC2)ccc1Br ZINC000185614711 552366927 /nfs/dbraw/zinc/36/69/27/552366927.db2.gz GLMREKXVDWHWNJ-UHFFFAOYSA-N 0 1 397.317 2.729 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000185842491 552372181 /nfs/dbraw/zinc/37/21/81/552372181.db2.gz FFHQSENIYSQVAK-DGCLKSJQSA-N 0 1 391.331 2.561 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)c1 ZINC000186101400 552378923 /nfs/dbraw/zinc/37/89/23/552378923.db2.gz GQPLOYNDHIANDJ-UHFFFAOYSA-N 0 1 397.254 2.838 20 0 GFADMN Cc1nnc(SCCC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)[nH]1 ZINC000186315593 552384750 /nfs/dbraw/zinc/38/47/50/552384750.db2.gz VFAKKPXWJCTODM-AWEZNQCLSA-N 0 1 384.864 2.988 20 0 GFADMN CCOC(=O)c1nn(C)cc1CNC[C@@H](C)Oc1ccccc1Br ZINC000186377276 552386513 /nfs/dbraw/zinc/38/65/13/552386513.db2.gz LRPXKRDESLJALP-GFCCVEGCSA-N 0 1 396.285 2.916 20 0 GFADMN Cc1cnc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(Br)c1 ZINC000186473867 552388563 /nfs/dbraw/zinc/38/85/63/552388563.db2.gz VCOZCYXMJVGYGE-UHFFFAOYSA-N 0 1 399.192 2.712 20 0 GFADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1cc(C(N)=O)co1 ZINC000187719956 552422650 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Cc1nc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1Br ZINC000432367223 563582761 /nfs/dbraw/zinc/58/27/61/563582761.db2.gz IZYFTFVDPYFRKR-UHFFFAOYSA-N 0 1 394.250 2.795 20 0 GFADMN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332214087 563583958 /nfs/dbraw/zinc/58/39/58/563583958.db2.gz TWQRWQHFGQYPCJ-QWRGUYRKSA-N 0 1 396.241 2.711 20 0 GFADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1c(O)cnc2c(Br)cccc21 ZINC000332234634 563586545 /nfs/dbraw/zinc/58/65/45/563586545.db2.gz RQVFRKDYPYLPNA-WDEREUQCSA-N 0 1 378.270 2.868 20 0 GFADMN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@](C)(O)C(F)(F)F ZINC000410381230 563588537 /nfs/dbraw/zinc/58/85/37/563588537.db2.gz IVGTYYIWXIAXJI-ZWNOBZJWSA-N 0 1 375.309 2.690 20 0 GFADMN CCC1(NC(=O)c2n[nH]c3ccc(I)cc32)CCOCC1 ZINC000332313252 563592076 /nfs/dbraw/zinc/59/20/76/563592076.db2.gz NDVPXGUFROOVGF-UHFFFAOYSA-N 0 1 399.232 2.857 20 0 GFADMN O=C(c1c(F)cc(Br)cc1F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332378748 563596096 /nfs/dbraw/zinc/59/60/96/563596096.db2.gz 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564299800 /nfs/dbraw/zinc/29/98/00/564299800.db2.gz UNFHQBZMYTUTKA-STQMWFEESA-N 0 1 379.302 2.947 20 0 GFADMN CS[C@H]1CCN(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000451319805 564300086 /nfs/dbraw/zinc/30/00/86/564300086.db2.gz IWJZHFGZIUVXGW-AWEZNQCLSA-N 0 1 385.936 2.561 20 0 GFADMN COc1cc(C(=O)NCCN2CC=C(C)CC2)cc(Br)c1OC ZINC000565907351 564301487 /nfs/dbraw/zinc/30/14/87/564301487.db2.gz HUFVHPQVZHBUEV-UHFFFAOYSA-N 0 1 383.286 2.848 20 0 GFADMN CC[C@@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490608 564302459 /nfs/dbraw/zinc/30/24/59/564302459.db2.gz ZYIQHSHENRLADT-SNVBAGLBSA-N 0 1 397.324 2.789 20 0 GFADMN CC[C@@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490608 564302463 /nfs/dbraw/zinc/30/24/63/564302463.db2.gz ZYIQHSHENRLADT-SNVBAGLBSA-N 0 1 397.324 2.789 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000542166648 564302983 /nfs/dbraw/zinc/30/29/83/564302983.db2.gz RLIOPNIYHHQRJJ-STQMWFEESA-N 0 1 387.293 2.604 20 0 GFADMN CCS(=O)(=O)c1ccc(CNCc2cn(-c3ccncc3)nc2C)s1 ZINC000475213072 564303079 /nfs/dbraw/zinc/30/30/79/564303079.db2.gz VRDLLEJSIULQBZ-UHFFFAOYSA-N 0 1 376.507 2.721 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000542239577 564305778 /nfs/dbraw/zinc/30/57/78/564305778.db2.gz CGPNMJKXJNNNTA-BXUZGUMPSA-N 0 1 396.292 2.696 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC[C@@H](O)COc1ccccc1 ZINC000566110261 564310261 /nfs/dbraw/zinc/31/02/61/564310261.db2.gz XNDRMABEVNPHSF-OAHLLOKOSA-N 0 1 393.281 2.726 20 0 GFADMN Cn1cncc1CC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000566367925 564324913 /nfs/dbraw/zinc/32/49/13/564324913.db2.gz PTNZAICXUKQYNH-JKSUJKDBSA-N 0 1 378.270 2.525 20 0 GFADMN O=C(Nc1cncc(Br)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000566429612 564326944 /nfs/dbraw/zinc/32/69/44/564326944.db2.gz XNAIPCRSOCMWAV-OAHLLOKOSA-N 0 1 383.290 2.563 20 0 GFADMN C[C@H](c1ccccc1Br)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510197151 564327579 /nfs/dbraw/zinc/32/75/79/564327579.db2.gz FKDKGQKLJHLYMO-GFCCVEGCSA-N 0 1 375.332 2.771 20 0 GFADMN O=C(CNC(=O)c1[nH]nc2c1CCCCC2)Nc1cccc(Br)c1 ZINC000476147979 564328290 /nfs/dbraw/zinc/32/82/90/564328290.db2.gz JJHQISDJNHGNCF-UHFFFAOYSA-N 0 1 391.269 2.810 20 0 GFADMN COc1ccc(Br)c(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000510285821 564329171 /nfs/dbraw/zinc/32/91/71/564329171.db2.gz FCZIMSVTEGQVRM-JSGCOSHPSA-N 0 1 376.316 2.903 20 0 GFADMN COc1ccc(Br)c(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000510285818 564329233 /nfs/dbraw/zinc/32/92/33/564329233.db2.gz FCZIMSVTEGQVRM-GXTWGEPZSA-N 0 1 376.316 2.903 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000476571601 564345685 /nfs/dbraw/zinc/34/56/85/564345685.db2.gz KJVUJBPMCASZRK-XKQJLSEDSA-N 0 1 387.929 2.759 20 0 GFADMN CCCN1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000511001406 564353090 /nfs/dbraw/zinc/35/30/90/564353090.db2.gz ULVAGXDPVSATGK-NSHDSACASA-N 0 1 381.361 2.972 20 0 GFADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1[nH]nc(C2CC2)c1Br ZINC000543607260 564355484 /nfs/dbraw/zinc/35/54/84/564355484.db2.gz WVOFZZGKUFAASR-CYBMUJFWSA-N 0 1 387.241 2.687 20 0 GFADMN C[C@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCN(CC(F)(F)F)C1 ZINC000451870825 564361254 /nfs/dbraw/zinc/36/12/54/564361254.db2.gz ISUSBJXPNJEPGR-ZFWWWQNUSA-N 0 1 380.838 2.896 20 0 GFADMN O[C@H]([C@@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000451882490 564362588 /nfs/dbraw/zinc/36/25/88/564362588.db2.gz CEGYEEMBHXKCLK-OLUVUFQESA-N 0 1 388.213 2.978 20 0 GFADMN O[C@H]([C@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(F)(F)F ZINC000451882489 564362669 /nfs/dbraw/zinc/36/26/69/564362669.db2.gz CEGYEEMBHXKCLK-NURSFMCSSA-N 0 1 388.213 2.978 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1N1CCCC1 ZINC000477117731 564365486 /nfs/dbraw/zinc/36/54/86/564365486.db2.gz JLYYJFYKPVMQSB-GJZGRUSLSA-N 0 1 392.949 2.988 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)N(C)C ZINC000451924835 564367551 /nfs/dbraw/zinc/36/75/51/564367551.db2.gz FNNUPGKYKVWHHM-ZFWWWQNUSA-N 0 1 390.933 2.516 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(O)ccc2Br)C1 ZINC000511507213 564374554 /nfs/dbraw/zinc/37/45/54/564374554.db2.gz KLMZRBOCMRVNLG-QWHCGFSZSA-N 0 1 385.302 2.518 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000477634722 564383099 /nfs/dbraw/zinc/38/30/99/564383099.db2.gz FWMGCKIKLNRIEZ-AWEZNQCLSA-N 0 1 385.339 2.913 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000567713022 564384094 /nfs/dbraw/zinc/38/40/94/564384094.db2.gz ZQZURCKGUYOJJO-CMPLNLGQSA-N 0 1 381.249 2.901 20 0 GFADMN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000544620443 564390861 /nfs/dbraw/zinc/39/08/61/564390861.db2.gz QCLPPBZMCNHRIY-UHFFFAOYSA-N 0 1 377.344 2.622 20 0 GFADMN O=C([O-])CC[N@@H+](Cc1ccc(I)cc1)C1CCOCC1 ZINC000567857667 564392715 /nfs/dbraw/zinc/39/27/15/564392715.db2.gz KZBZXRDQHPFIDZ-UHFFFAOYSA-N 0 1 389.233 2.747 20 0 GFADMN C[C@@H]1CCCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000512160498 564393553 /nfs/dbraw/zinc/39/35/53/564393553.db2.gz QITIWAAFHBFQSN-CYBMUJFWSA-N 0 1 387.933 2.793 20 0 GFADMN Cc1nccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1Cl ZINC000478225454 564397510 /nfs/dbraw/zinc/39/75/10/564397510.db2.gz HKZVXARCDCQXAE-UHFFFAOYSA-N 0 1 387.839 2.833 20 0 GFADMN O=C(NCCCCN1CCOCC1)[C@H]1CCc2cc(Br)ccc21 ZINC000567943712 564397861 /nfs/dbraw/zinc/39/78/61/564397861.db2.gz UIOYNFQAGNXAQR-KRWDZBQOSA-N 0 1 381.314 2.708 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C(=O)[O-] ZINC000568007434 564400380 /nfs/dbraw/zinc/40/03/80/564400380.db2.gz LTWHOWBLPROAGV-LBPRGKRZSA-N 0 1 386.901 2.642 20 0 GFADMN O=C(NC[C@H]1CCCCN1CCO)c1ccc(Br)c(Cl)c1F ZINC000452380703 564411309 /nfs/dbraw/zinc/41/13/09/564411309.db2.gz UDKPGYVBYMWCIU-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(Br)c(Cl)c1F ZINC000452381569 564411714 /nfs/dbraw/zinc/41/17/14/564411714.db2.gz JVRVJKHEWPNSAX-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN Fc1ccc(Br)c(CNC[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000513016798 564417607 /nfs/dbraw/zinc/41/76/07/564417607.db2.gz LTQQWONBCNTJJU-ZDUSSCGKSA-N 0 1 385.199 2.941 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cn2ccnc2)s1 ZINC000545381492 564420448 /nfs/dbraw/zinc/42/04/48/564420448.db2.gz IWFXFEXUOQOPAF-UHFFFAOYSA-N 0 1 377.447 2.580 20 0 GFADMN COC(=O)C[C@@](C)(NC[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121287 564421065 /nfs/dbraw/zinc/42/10/65/564421065.db2.gz BKRNKAUEYZIJEF-WCQYABFASA-N 0 1 384.192 2.740 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000513143465 564422164 /nfs/dbraw/zinc/42/21/64/564422164.db2.gz NLIVZHURIQAAFP-STQMWFEESA-N 0 1 388.917 2.668 20 0 GFADMN O=C1N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1n[nH]c(C2CC2)n1 ZINC000568611369 564426994 /nfs/dbraw/zinc/42/69/94/564426994.db2.gz QZBIZIWOXKWVGR-GFCCVEGCSA-N 0 1 380.235 2.652 20 0 GFADMN Cc1nnc(SCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[nH]1 ZINC000452836437 564434233 /nfs/dbraw/zinc/43/42/33/564434233.db2.gz AHDNRRJNSVYZFX-GFCCVEGCSA-N 0 1 381.299 2.984 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000452836437 564434236 /nfs/dbraw/zinc/43/42/36/564434236.db2.gz AHDNRRJNSVYZFX-GFCCVEGCSA-N 0 1 381.299 2.984 20 0 GFADMN Cc1cnc(CCN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nc1 ZINC000479390382 564438168 /nfs/dbraw/zinc/43/81/68/564438168.db2.gz LQDGAEXIZAEYFO-JTQLQIEISA-N 0 1 389.308 2.633 20 0 GFADMN O=S(=O)([N-]C1CC[NH+](C2CCCC2)CC1)c1ccc(Br)o1 ZINC000546064261 564442660 /nfs/dbraw/zinc/44/26/60/564442660.db2.gz VQJIXMCWLFSGOJ-UHFFFAOYSA-N 0 1 377.304 2.727 20 0 GFADMN CCn1c(SCC(=O)NCc2cnc[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000479585559 564444333 /nfs/dbraw/zinc/44/43/33/564444333.db2.gz KPVOYSRJBFUJQO-UHFFFAOYSA-N 0 1 376.873 2.750 20 0 GFADMN O=C(N[C@H]1CCN(C2CC2)C1)c1ncc(Br)cc1Br ZINC000546156887 564446685 /nfs/dbraw/zinc/44/66/85/564446685.db2.gz DRPRXFRUVOBBBD-VIFPVBQESA-N 0 1 389.091 2.573 20 0 GFADMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(F)c(I)c1 ZINC000453140411 564447992 /nfs/dbraw/zinc/44/79/92/564447992.db2.gz KFIYKKSTZGNJFE-NXEZZACHSA-N 0 1 399.269 2.904 20 0 GFADMN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2csc(C)c2)c1 ZINC000453165178 564448636 /nfs/dbraw/zinc/44/86/36/564448636.db2.gz UYLCEUKFPFYMBA-CHWSQXEVSA-N 0 1 381.523 2.642 20 0 GFADMN C[C@@H](CC(C)(C)O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308213 564453136 /nfs/dbraw/zinc/45/31/36/564453136.db2.gz DGAZPSVJQPQKOB-GXFFZTMASA-N 0 1 376.316 2.807 20 0 GFADMN CN(C[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1)S(C)(=O)=O ZINC000514758234 564456572 /nfs/dbraw/zinc/45/65/72/564456572.db2.gz IRCFDGBPNJYJFX-AWEZNQCLSA-N 0 1 380.432 2.689 20 0 GFADMN COC(=O)c1nscc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000480008462 564457980 /nfs/dbraw/zinc/45/79/80/564457980.db2.gz GRUNAVYUZYXRHU-UHFFFAOYSA-N 0 1 391.268 2.801 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ncc(F)cc2I)o1 ZINC000480078064 564459780 /nfs/dbraw/zinc/45/97/80/564459780.db2.gz RJBVIUDUBPEHBD-UHFFFAOYSA-N 0 1 382.154 2.528 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3cccc(Br)c3)[C@H](C)C2)n[nH]1 ZINC000453619491 564459902 /nfs/dbraw/zinc/45/99/02/564459902.db2.gz UKPXYNDJEWPABC-CYBMUJFWSA-N 0 1 377.286 2.827 20 0 GFADMN C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204550 564464208 /nfs/dbraw/zinc/46/42/08/564464208.db2.gz YVJWXCNCCSHYID-AXAPSJFSSA-N 0 1 399.354 2.882 20 0 GFADMN C[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220654 564464873 /nfs/dbraw/zinc/46/48/73/564464873.db2.gz RXNXFQYCAWAUPI-XHDPSFHLSA-N 0 1 387.343 2.740 20 0 GFADMN CC[C@H](C)[C@@H](O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480244715 564466281 /nfs/dbraw/zinc/46/62/81/564466281.db2.gz YORYMCYCKQSZRB-BPNCWPANSA-N 0 1 376.316 2.664 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)N1CCCC[C@H]1C ZINC000515100111 564469834 /nfs/dbraw/zinc/46/98/34/564469834.db2.gz BCDKDRCLPHJBLJ-CHWSQXEVSA-N 0 1 375.332 2.990 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)NCc2n[nH]c(C(C)C)n2)cc1Br ZINC000453839271 564475571 /nfs/dbraw/zinc/47/55/71/564475571.db2.gz SYEHKGULNRTASE-UHFFFAOYSA-N 0 1 394.273 2.562 20 0 GFADMN Cc1c(Br)cccc1CC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000480521830 564476848 /nfs/dbraw/zinc/47/68/48/564476848.db2.gz HUXXPVZVHGGFQB-ZDUSSCGKSA-N 0 1 383.330 2.604 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000480838564 564490551 /nfs/dbraw/zinc/49/05/51/564490551.db2.gz MZYJIAPIRCZTLA-TVQRCGJNSA-N 0 1 379.309 2.763 20 0 GFADMN O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000481000738 564499982 /nfs/dbraw/zinc/49/99/82/564499982.db2.gz BYXZQBKGBMYVKG-MRXNPFEDSA-N 0 1 387.343 2.839 20 0 GFADMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCSC1 ZINC000481066647 564502233 /nfs/dbraw/zinc/50/22/33/564502233.db2.gz CILAXCYFXZVEHP-AWEZNQCLSA-N 0 1 382.473 2.507 20 0 GFADMN Cc1cc(F)c(Br)cc1NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570390845 564503342 /nfs/dbraw/zinc/50/33/42/564503342.db2.gz QJJPYTHFPIKQHF-XQQFMLRXSA-N 0 1 375.282 2.779 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3Br)C[C@@H]21 ZINC000516765104 564511643 /nfs/dbraw/zinc/51/16/43/564511643.db2.gz UVFHGTVFQNLCMI-YGRLFVJLSA-N 0 1 393.734 2.568 20 0 GFADMN CCN(CC)C[C@H](C)NC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454628733 564517323 /nfs/dbraw/zinc/51/73/23/564517323.db2.gz IMBRGWQJLJOXGD-AWEZNQCLSA-N 0 1 389.949 2.533 20 0 GFADMN Cc1cc2c(cc1S(=O)(=O)Nc1cc(C)c(Br)cn1)OCO2 ZINC000481818103 564525527 /nfs/dbraw/zinc/52/55/27/564525527.db2.gz SWTSCRJDOGCDBF-UHFFFAOYSA-N 0 1 385.239 2.990 20 0 GFADMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000547956086 564525644 /nfs/dbraw/zinc/52/56/44/564525644.db2.gz JYDXARLEPHXCPN-UHFFFAOYSA-N 0 1 376.459 2.748 20 0 GFADMN O=C(Nc1nnc(SCc2ccccc2)s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000570935112 564528763 /nfs/dbraw/zinc/52/87/63/564528763.db2.gz JTJGWGTZMMDHNT-OKILXGFUSA-N 0 1 375.523 3.189 20 0 GFADMN COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000455021747 564532679 /nfs/dbraw/zinc/53/26/79/564532679.db2.gz PPNYHRKHMGMEAC-PHIMTYICSA-N 0 1 384.274 2.792 20 0 GFADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1cc(F)cc(F)c1 ZINC000482104023 564534200 /nfs/dbraw/zinc/53/42/00/564534200.db2.gz NWWPPVYKTNNPPW-UHFFFAOYSA-N 0 1 390.521 2.995 20 0 GFADMN C[C@H](NC[C@@H](O)COCC1CC1)c1ccccc1I ZINC000482112909 564534935 /nfs/dbraw/zinc/53/49/35/564534935.db2.gz HAISSGUBQCYACL-WCQYABFASA-N 0 1 375.250 2.729 20 0 GFADMN CCc1nn(C)cc1NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000455080863 564536134 /nfs/dbraw/zinc/53/61/34/564536134.db2.gz VJFBVJDDUJBDSN-UHFFFAOYSA-N 0 1 377.246 2.943 20 0 GFADMN Cc1ccc(Br)cc1S(=O)(=O)NCCN1CCCC[C@H]1C ZINC000517582797 564537641 /nfs/dbraw/zinc/53/76/41/564537641.db2.gz OEKLWWBSTAMNEB-CYBMUJFWSA-N 0 1 375.332 2.910 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000571201002 564539988 /nfs/dbraw/zinc/53/99/88/564539988.db2.gz KPURSKGABADLQQ-TXEJJXNPSA-N 0 1 379.302 2.960 20 0 GFADMN Cn1c2cc(Br)ccc2nc1CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000548275322 564546514 /nfs/dbraw/zinc/54/65/14/564546514.db2.gz LCMZTSSTDCQFDG-SWLSCSKDSA-N 0 1 391.313 2.826 20 0 GFADMN CC(C)N1CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000518369785 564551277 /nfs/dbraw/zinc/55/12/77/564551277.db2.gz XKBUPVYCSGEDNY-UHFFFAOYSA-N 0 1 397.317 2.513 20 0 GFADMN CCN(CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000482923211 564553786 /nfs/dbraw/zinc/55/37/86/564553786.db2.gz WSJVLFDVTHVREF-IUODEOHRSA-N 0 1 387.933 2.540 20 0 GFADMN CCN(CCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)C ZINC000482996536 564555091 /nfs/dbraw/zinc/55/50/91/564555091.db2.gz NZQKKGSEIZEYQT-OAHLLOKOSA-N 0 1 387.933 2.540 20 0 GFADMN CCc1nc(C[N@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000518548705 564556752 /nfs/dbraw/zinc/55/67/52/564556752.db2.gz ISWSBHDKEWDWMU-QWHCGFSZSA-N 0 1 380.242 2.695 20 0 GFADMN CCc1nc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000518548705 564556754 /nfs/dbraw/zinc/55/67/54/564556754.db2.gz ISWSBHDKEWDWMU-QWHCGFSZSA-N 0 1 380.242 2.695 20 0 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O=C(Nc1nc2ccc(Br)cc2[nH]1)c1sccc1-n1cnnn1 ZINC000464571363 564910700 /nfs/dbraw/zinc/91/07/00/564910700.db2.gz OZFMUMABODLCLA-UHFFFAOYSA-N 0 1 390.226 2.615 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000583875325 564911043 /nfs/dbraw/zinc/91/10/43/564911043.db2.gz DRNCNNZUYINTNY-RYUDHWBXSA-N 0 1 388.917 2.745 20 0 GFADMN O=C(Cn1ncc2ccccc2c1=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464577211 564911614 /nfs/dbraw/zinc/91/16/14/564911614.db2.gz IMQDNNPOVBMUKK-UHFFFAOYSA-N 0 1 398.220 2.674 20 0 GFADMN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464575433 564911919 /nfs/dbraw/zinc/91/19/19/564911919.db2.gz MHOLBYPLXHYLFZ-UHFFFAOYSA-N 0 1 399.204 2.560 20 0 GFADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000531582567 564913955 /nfs/dbraw/zinc/91/39/55/564913955.db2.gz DCTOFERTXVNAFC-UHFFFAOYSA-N 0 1 382.825 2.870 20 0 GFADMN C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)Oc1cccc(Br)c1 ZINC000464666826 564915057 /nfs/dbraw/zinc/91/50/57/564915057.db2.gz 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CCC(CC)NC(=O)[C@@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640906349 565335982 /nfs/dbraw/zinc/33/59/82/565335982.db2.gz HHGWQQLBECLDQN-BDJLRTHQSA-N 0 1 394.317 2.955 20 0 GFADMN Cc1cc(NC(=O)[C@H](C)n2cc(CNC3CC3)nn2)ccc1Br ZINC000640906047 565335997 /nfs/dbraw/zinc/33/59/97/565335997.db2.gz DZDILJSBYNYIBE-NSHDSACASA-N 0 1 378.274 2.801 20 0 GFADMN CC(C)CCNC(=O)[C@@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640907109 565336557 /nfs/dbraw/zinc/33/65/57/565336557.db2.gz ZDJNOAJHGIITSU-MLGOLLRUSA-N 0 1 394.317 2.812 20 0 GFADMN C[C@H](c1ccccc1Br)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000640996777 565340819 /nfs/dbraw/zinc/34/08/19/565340819.db2.gz JKXHHXNFTARSQO-GFCCVEGCSA-N 0 1 393.285 2.947 20 0 GFADMN Brc1ccc2[nH]c(CN(CCN3CCOCC3)CC3CC3)nc2c1 ZINC000661970977 565343748 /nfs/dbraw/zinc/34/37/48/565343748.db2.gz ZEYBHJHJHXHPII-UHFFFAOYSA-N 0 1 393.329 2.870 20 0 GFADMN Cc1nnc([C@@H](C)n2cc([C@H](N)c3ccc(Br)cc3)nn2)s1 ZINC000641143940 565349857 /nfs/dbraw/zinc/34/98/57/565349857.db2.gz 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/nfs/dbraw/zinc/41/35/80/565413580.db2.gz YRKGIUYFWUXQMP-LBPRGKRZSA-N 0 1 375.332 2.768 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C)C1 ZINC000642515726 565413608 /nfs/dbraw/zinc/41/36/08/565413608.db2.gz ASQWWLQWWCWGAQ-QWHCGFSZSA-N 0 1 380.432 2.984 20 0 GFADMN CN(CC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)C(=O)c1cccs1 ZINC000642588730 565415048 /nfs/dbraw/zinc/41/50/48/565415048.db2.gz WDCBVGUQGIFPFW-UHFFFAOYSA-N 0 1 375.841 2.897 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(Cl)c1 ZINC000594787636 565420865 /nfs/dbraw/zinc/42/08/65/565420865.db2.gz BINWWRXOZPQFGG-LBPRGKRZSA-N 0 1 388.917 2.525 20 0 GFADMN C[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000643199937 565423370 /nfs/dbraw/zinc/42/33/70/565423370.db2.gz CQFPQBPZZPSJOG-JQFCIGGWSA-N 0 1 381.314 2.610 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000622609744 565472387 /nfs/dbraw/zinc/47/23/87/565472387.db2.gz HHOVOPMKJYBELH-ARFHVFGLSA-N 0 1 398.264 2.972 20 0 GFADMN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000644828158 565496888 /nfs/dbraw/zinc/49/68/88/565496888.db2.gz IRVOCEQWPZTDQN-SNVBAGLBSA-N 0 1 377.235 2.927 20 0 GFADMN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000595950254 565502785 /nfs/dbraw/zinc/50/27/85/565502785.db2.gz RWCNLXCXJPBGGR-QGTPRVQTSA-N 0 1 397.313 2.861 20 0 GFADMN Ic1cccc2ncnc(N3CCCc4[nH]ncc4C3)c12 ZINC000596003670 565505642 /nfs/dbraw/zinc/50/56/42/565505642.db2.gz SNCJVLJMDBUNKG-UHFFFAOYSA-N 0 1 391.216 2.910 20 0 GFADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000645002374 565507159 /nfs/dbraw/zinc/50/71/59/565507159.db2.gz ZZTJNYFROIFNLB-AAEUAGOBSA-N 0 1 378.274 2.697 20 0 GFADMN COc1ncc(Br)cc1C[S@](=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000596041126 565507854 /nfs/dbraw/zinc/50/78/54/565507854.db2.gz HPPYMZBPUGUYFH-QFIPXVFZSA-N 0 1 387.303 2.717 20 0 GFADMN Cc1cc(CNCc2ccccc2CS(C)(=O)=O)ncc1Br ZINC000623440207 565510444 /nfs/dbraw/zinc/51/04/44/565510444.db2.gz NCGQEQJYYWQAGH-UHFFFAOYSA-N 0 1 383.311 2.987 20 0 GFADMN CCOC(=O)[C@]1(C)CCC[C@H]1N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050158 565510958 /nfs/dbraw/zinc/51/09/58/565510958.db2.gz ISMVFACHLHIUBB-JKIFEVAISA-N 0 1 383.286 2.687 20 0 GFADMN CN1CCC[C@@H](CNS(=O)(=O)CCOCC2CCC2)[C@H]1c1cccs1 ZINC000645562616 565539318 /nfs/dbraw/zinc/53/93/18/565539318.db2.gz YAFNARPBWHOXPR-WMZOPIPTSA-N 0 1 386.583 2.867 20 0 GFADMN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596816 565542826 /nfs/dbraw/zinc/54/28/26/565542826.db2.gz NOHNSSBBUHXISE-FRRDWIJNSA-N 0 1 379.448 2.745 20 0 GFADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645596816 565542828 /nfs/dbraw/zinc/54/28/28/565542828.db2.gz NOHNSSBBUHXISE-FRRDWIJNSA-N 0 1 379.448 2.745 20 0 GFADMN CC1(C)CN(c2nccc(-c3ccc(Br)cc3)n2)CCN1CCO ZINC000624143036 565545538 /nfs/dbraw/zinc/54/55/38/565545538.db2.gz XOQKRECZMKSVMM-UHFFFAOYSA-N 0 1 391.313 2.799 20 0 GFADMN O=S1(=O)CC[C@H](N[C@H]2CO[C@H](C3CC3)C2)c2cc(Br)ccc21 ZINC000624222912 565547197 /nfs/dbraw/zinc/54/71/97/565547197.db2.gz JHIHVEHJOSCFSJ-SNPRPXQTSA-N 0 1 386.311 2.825 20 0 GFADMN C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(I)cc3F)C[C@@H]21 ZINC000597022416 565547234 /nfs/dbraw/zinc/54/72/34/565547234.db2.gz OYFUVEWGZCLVAI-RNCFNFMXSA-N 0 1 389.212 2.598 20 0 GFADMN COC(=O)c1oc(CNCCNC(=O)c2cccc(Br)c2)cc1C ZINC000597058473 565550354 /nfs/dbraw/zinc/55/03/54/565550354.db2.gz MBIQSBBLNQNCSL-UHFFFAOYSA-N 0 1 395.253 2.657 20 0 GFADMN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ncc(I)s1 ZINC000597243126 565557129 /nfs/dbraw/zinc/55/71/29/565557129.db2.gz YSXIDZDIBGJAHB-NOZJJQNGSA-N 0 1 394.278 2.959 20 0 GFADMN Cc1ccc(I)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000597520978 565562814 /nfs/dbraw/zinc/56/28/14/565562814.db2.gz AVVHCXUXRACWMA-JTQLQIEISA-N 0 1 382.205 2.776 20 0 GFADMN CC(=O)[C@H]1CCCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000597706986 565570397 /nfs/dbraw/zinc/57/03/97/565570397.db2.gz LVIPWIHHHSDZHO-CYBMUJFWSA-N 0 1 397.216 2.751 20 0 GFADMN CN(C)C1(C(=O)NCc2cc(Cl)ccc2I)CC1 ZINC000597894191 565579817 /nfs/dbraw/zinc/57/98/17/565579817.db2.gz JUJQWSOAVGWFLG-UHFFFAOYSA-N 0 1 378.641 2.655 20 0 GFADMN CCO[C@H](CS(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000624934367 565583703 /nfs/dbraw/zinc/58/37/03/565583703.db2.gz FIEBOHNAIALOGQ-CRAIPNDOSA-N 0 1 386.583 2.695 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000667500668 565590098 /nfs/dbraw/zinc/59/00/98/565590098.db2.gz XPCCFWNFMZMWOI-LLVKDONJSA-N 0 1 387.297 2.654 20 0 GFADMN CN1CC[C@@H]([N@H+](C)Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000667656819 565598434 /nfs/dbraw/zinc/59/84/34/565598434.db2.gz RXTXJQLHFHWHCC-LLVKDONJSA-N 0 1 392.091 2.580 20 0 GFADMN CN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000667656819 565598438 /nfs/dbraw/zinc/59/84/38/565598438.db2.gz RXTXJQLHFHWHCC-LLVKDONJSA-N 0 1 392.091 2.580 20 0 GFADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC(OCCCO)CC1 ZINC000625226267 565609065 /nfs/dbraw/zinc/60/90/65/565609065.db2.gz 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/nfs/dbraw/zinc/63/40/90/565634090.db2.gz DOBSAGDILZAFFD-GFCCVEGCSA-N 0 1 392.301 2.531 20 0 GFADMN COCCN(CCOC)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535935 565636227 /nfs/dbraw/zinc/63/62/27/565636227.db2.gz XQWAYDXEWNDYKB-INIZCTEOSA-N 0 1 392.327 2.901 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647156132 565642216 /nfs/dbraw/zinc/64/22/16/565642216.db2.gz QDHGKBQMVKMNII-AWEZNQCLSA-N 0 1 384.889 2.845 20 0 GFADMN COc1cc(C)c(S(=O)(=O)NC[C@H](N)c2ccccc2OC)cc1Cl ZINC000647187363 565644533 /nfs/dbraw/zinc/64/45/33/565644533.db2.gz LQAHPPGDJSGMKF-AWEZNQCLSA-N 0 1 384.885 2.644 20 0 GFADMN FC(F)Oc1ccc(CN2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000668536602 565652310 /nfs/dbraw/zinc/65/23/10/565652310.db2.gz YNDYASLCMSMYOC-ZDUSSCGKSA-N 0 1 391.256 2.957 20 0 GFADMN C[C@@H](NC[C@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750919 565656582 /nfs/dbraw/zinc/65/65/82/565656582.db2.gz DAZXAXGHIDERSF-MNOVXSKESA-N 0 1 394.256 2.934 20 0 GFADMN C[C@H](NC[C@@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750921 565657100 /nfs/dbraw/zinc/65/71/00/565657100.db2.gz DAZXAXGHIDERSF-WDEREUQCSA-N 0 1 394.256 2.934 20 0 GFADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(NS(C)(=O)=O)nc2)s1 ZINC000625780610 565657825 /nfs/dbraw/zinc/65/78/25/565657825.db2.gz NMOKVLJKHFWTGM-LLVKDONJSA-N 0 1 382.511 2.614 20 0 GFADMN C[C@@H](c1ccccc1Br)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807932 565661794 /nfs/dbraw/zinc/66/17/94/565661794.db2.gz MYCBWFBAJDCYGB-NSHDSACASA-N 0 1 378.274 2.538 20 0 GFADMN O=C([C@@H]1CCO[C@H]1c1cncc(Br)c1)N1CCN(C2CCC2)CC1 ZINC000668722987 565663189 /nfs/dbraw/zinc/66/31/89/565663189.db2.gz KTAXLDFLFPMXFQ-SJORKVTESA-N 0 1 394.313 2.618 20 0 GFADMN CCCN(C(=O)C(=O)N(C)Cc1c(Cl)cccc1Cl)[C@H]1CCN(C)C1 ZINC000647568324 565664100 /nfs/dbraw/zinc/66/41/00/565664100.db2.gz KPJKZHYWPJGNJF-ZDUSSCGKSA-N 0 1 386.323 2.895 20 0 GFADMN Cc1cc(Br)ccc1[C@@H]1CCCN1CCN1C(=O)CN(C)C1=O ZINC000626010202 565671118 /nfs/dbraw/zinc/67/11/18/565671118.db2.gz KNJSNCBXJDRPAQ-HNNXBMFYSA-N 0 1 380.286 2.788 20 0 GFADMN C[C@H](Sc1ccc(Br)cc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000647707186 565671874 /nfs/dbraw/zinc/67/18/74/565671874.db2.gz XXZMOXAHNFIFKZ-CFVMTHIKSA-N 0 1 399.354 2.597 20 0 GFADMN Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(C)c1Br ZINC000626238213 565685038 /nfs/dbraw/zinc/68/50/38/565685038.db2.gz ZDJOKYKBMIBRMH-GFCCVEGCSA-N 0 1 378.274 2.907 20 0 GFADMN O=C1C[C@]2(CCN(Cc3cc(OC(F)F)ccc3Br)C2)CN1 ZINC000648029357 565688771 /nfs/dbraw/zinc/68/87/71/565688771.db2.gz CRARYGMJJCMUKN-OAHLLOKOSA-N 0 1 375.213 2.763 20 0 GFADMN C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2)Oc1ccc(Br)cc1 ZINC000669506292 565691535 /nfs/dbraw/zinc/69/15/35/565691535.db2.gz KAYCJBNVRXJQQJ-AEGPPILISA-N 0 1 382.302 2.752 20 0 GFADMN C[C@H]1CN(CCCNC(=O)c2cc(Br)cc3[nH]cnc32)C[C@H](C)O1 ZINC000669694527 565699476 /nfs/dbraw/zinc/69/94/76/565699476.db2.gz SVKJVUINNKAGHW-RYUDHWBXSA-N 0 1 395.301 2.555 20 0 GFADMN COc1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)c(OC)n1 ZINC000669697630 565699604 /nfs/dbraw/zinc/69/96/04/565699604.db2.gz LRASCHFHESLXFI-UHFFFAOYSA-N 0 1 377.198 2.990 20 0 GFADMN Cc1cc(Br)c(F)c(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000626582718 565702181 /nfs/dbraw/zinc/70/21/81/565702181.db2.gz MGTUFRSUDJKSIV-LBPRGKRZSA-N 0 1 387.293 2.814 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N2CCNC[C@@H]2C(C)C)cc1Cl ZINC000626846902 565713548 /nfs/dbraw/zinc/71/35/48/565713548.db2.gz PDMFTTZUARONGH-CQSZACIVSA-N 0 1 388.295 2.787 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H](OC)CC1 ZINC000648512636 565717506 /nfs/dbraw/zinc/71/75/06/565717506.db2.gz XBKJAPILOOOZNF-BBRMVZONSA-N 0 1 399.329 2.963 20 0 GFADMN O=C(CCCOc1cccc(Cl)c1Cl)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627257275 565728246 /nfs/dbraw/zinc/72/82/46/565728246.db2.gz DZUNVJJIEHNHMP-ZIAGYGMSSA-N 0 1 387.307 2.820 20 0 GFADMN C[C@H](CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1)n1cc(Br)cn1 ZINC000648854894 565734084 /nfs/dbraw/zinc/73/40/84/565734084.db2.gz VSLFQVPWOKSMQW-IAQYHMDHSA-N 0 1 389.257 2.621 20 0 GFADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2nc[nH]c2C1 ZINC000627368440 565735011 /nfs/dbraw/zinc/73/50/11/565735011.db2.gz UXLDHQOLKAZUTB-CQSZACIVSA-N 0 1 392.297 2.952 20 0 GFADMN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccc(Cl)cc1 ZINC000670660118 565736169 /nfs/dbraw/zinc/73/61/69/565736169.db2.gz KNYLFWZFBRCPCQ-AWEZNQCLSA-N 0 1 384.263 2.622 20 0 GFADMN COC(=O)[C@@H]1CCN(C(=O)c2cccc(Br)c2O)[C@@H]2CCC[C@H]21 ZINC000600547342 565736267 /nfs/dbraw/zinc/73/62/67/565736267.db2.gz BSANLIFOSKYFLC-MISXGVKJSA-N 0 1 382.254 2.959 20 0 GFADMN COc1ccc2nc(SCC(=O)c3cccc(S(C)(=O)=O)c3)[nH]c2c1 ZINC000671139117 565752813 /nfs/dbraw/zinc/75/28/13/565752813.db2.gz DZQSDXOYARBFHL-UHFFFAOYSA-N 0 1 376.459 2.950 20 0 GFADMN CCC[C@H](O)Cc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000671157692 565753865 /nfs/dbraw/zinc/75/38/65/565753865.db2.gz HVXAXIVFGBLYDJ-NSHDSACASA-N 0 1 378.230 2.988 20 0 GFADMN CN(CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cn1 ZINC000649360437 565759837 /nfs/dbraw/zinc/75/98/37/565759837.db2.gz WBSPCMDMUXQKKD-INIZCTEOSA-N 0 1 379.291 2.998 20 0 GFADMN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649592087 565768232 /nfs/dbraw/zinc/76/82/32/565768232.db2.gz UEGGTONGXIHZGF-LSDHHAIUSA-N 0 1 397.313 2.717 20 0 GFADMN COC(=O)C[C@@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)c1cccs1 ZINC000601298650 565775121 /nfs/dbraw/zinc/77/51/21/565775121.db2.gz PVDWTORMUFHOQQ-SECBINFHSA-N 0 1 390.870 2.850 20 0 GFADMN O=C(CSc1cccc(Br)c1)N1CCC(N2CCOCC2)CC1 ZINC000628123811 565775250 /nfs/dbraw/zinc/77/52/50/565775250.db2.gz GIGODZMIWXYWFJ-UHFFFAOYSA-N 0 1 399.354 2.864 20 0 GFADMN CCN(CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCOC1 ZINC000649757309 565777356 /nfs/dbraw/zinc/77/73/56/565777356.db2.gz KTVFUHOKIGUPCR-CYBMUJFWSA-N 0 1 375.332 2.970 20 0 GFADMN C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753705 565785453 /nfs/dbraw/zinc/78/54/53/565785453.db2.gz BHLNLTTWLMYIET-NSHDSACASA-N 0 1 381.479 2.566 20 0 GFADMN CN(Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@]1(CO)CCOC1 ZINC000628367737 565786684 /nfs/dbraw/zinc/78/66/84/565786684.db2.gz QBERKPXDLSQXKY-CYBMUJFWSA-N 0 1 384.192 2.931 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000628369123 565787392 /nfs/dbraw/zinc/78/73/92/565787392.db2.gz STHGVVXIEIFYSL-KRWDZBQOSA-N 0 1 391.313 2.996 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629089135 565822242 /nfs/dbraw/zinc/82/22/42/565822242.db2.gz GPJXVVRQBQSAFV-BBATYDOGSA-N 0 1 391.265 2.525 20 0 GFADMN CC1=CCN(CCNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000672962551 565823990 /nfs/dbraw/zinc/82/39/90/565823990.db2.gz IYVVSZJZAKFVCB-UHFFFAOYSA-N 0 1 375.270 2.774 20 0 GFADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000673737417 565845283 /nfs/dbraw/zinc/84/52/83/565845283.db2.gz FMJJCMQMEWTING-UHFFFAOYSA-N 0 1 376.360 2.669 20 0 GFADMN CN(C)c1nc(CNC(=O)c2n[nH]c3ccc(Br)cc32)cs1 ZINC000673804390 565846782 /nfs/dbraw/zinc/84/67/82/565846782.db2.gz ZOMBJAJAAAKBLG-UHFFFAOYSA-N 0 1 380.271 2.778 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)c2ncccc2Br)CC1 ZINC000629417205 565851156 /nfs/dbraw/zinc/85/11/56/565851156.db2.gz ZKLITWGJLUHKKQ-UHFFFAOYSA-N 0 1 382.302 2.561 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2ccc(Br)c(OC(C)C)c2)C1 ZINC000651290460 565854589 /nfs/dbraw/zinc/85/45/89/565854589.db2.gz VDBBLNKXNJZSPZ-CQSZACIVSA-N 0 1 385.302 2.687 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C2CCC1CC2 ZINC000674006101 565855900 /nfs/dbraw/zinc/85/59/00/565855900.db2.gz LQUFGOONILVWAZ-XGNXJENSSA-N 0 1 385.917 2.544 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000629490353 565856462 /nfs/dbraw/zinc/85/64/62/565856462.db2.gz NMKILRIBGOZCBH-IXPVHAAZSA-N 0 1 381.270 2.745 20 0 GFADMN Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000629500795 565856874 /nfs/dbraw/zinc/85/68/74/565856874.db2.gz GTWUJIMZWYJDLP-LSDHHAIUSA-N 0 1 381.270 2.580 20 0 GFADMN Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000629500795 565856880 /nfs/dbraw/zinc/85/68/80/565856880.db2.gz GTWUJIMZWYJDLP-LSDHHAIUSA-N 0 1 381.270 2.580 20 0 GFADMN C[C@H]1CN(c2ncnc3cc(Br)sc32)CCN1CC(C)(C)O ZINC000651344684 565858635 /nfs/dbraw/zinc/85/86/35/565858635.db2.gz PEVDCJBQZQMHRF-JTQLQIEISA-N 0 1 385.331 2.735 20 0 GFADMN C[C@@H]1C[C@H](CO)CCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000629676257 565866596 /nfs/dbraw/zinc/86/65/96/565866596.db2.gz DXRLHSQCRCXJLW-GHMZBOCLSA-N 0 1 379.254 2.524 20 0 GFADMN CS(=O)(=O)NC1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCCCC1 ZINC000674323568 565868944 /nfs/dbraw/zinc/86/89/44/565868944.db2.gz FCDFVABFWWMZEQ-UHFFFAOYSA-N 0 1 395.308 2.681 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000674346239 565870405 /nfs/dbraw/zinc/87/04/05/565870405.db2.gz KPMAWCSONFGWBX-CYBMUJFWSA-N 0 1 391.331 2.610 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000651576808 565874962 /nfs/dbraw/zinc/87/49/62/565874962.db2.gz SPFMTVHNVHZLSN-GHMZBOCLSA-N 0 1 381.361 2.780 20 0 GFADMN O=C(NCCN1CC[C@H](O)C1)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000629915415 565875799 /nfs/dbraw/zinc/87/57/99/565875799.db2.gz IEKNYXIGBHRCIX-JLJPHGGASA-N 0 1 387.307 2.644 20 0 GFADMN COC(=O)c1cccc(NC(=O)N2CCN(C)C(C)(C)C2)c1Br ZINC000602990820 565878293 /nfs/dbraw/zinc/87/82/93/565878293.db2.gz DXGKPCOKTPGSEF-UHFFFAOYSA-N 0 1 384.274 2.794 20 0 GFADMN O[C@H](COC1CCOCC1)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000674845647 565885249 /nfs/dbraw/zinc/88/52/49/565885249.db2.gz YYPKWPQIIKKBQT-SRVKXCTJSA-N 0 1 379.341 2.606 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000674837725 565885513 /nfs/dbraw/zinc/88/55/13/565885513.db2.gz JDWTXVFSNOLGLM-QGZVFWFLSA-N 0 1 380.330 2.750 20 0 GFADMN Cc1cc(CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)n[nH]1 ZINC000675141441 565892714 /nfs/dbraw/zinc/89/27/14/565892714.db2.gz QZHITWXGPWYOCG-INIZCTEOSA-N 0 1 377.286 2.934 20 0 GFADMN CCOC(=O)c1nc(N2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1Br ZINC000603311371 565896761 /nfs/dbraw/zinc/89/67/61/565896761.db2.gz NPKSYQIZKHMZFU-NSHDSACASA-N 0 1 394.273 2.831 20 0 GFADMN CCOC(=O)c1nc(N2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1Br ZINC000603311371 565896767 /nfs/dbraw/zinc/89/67/67/565896767.db2.gz NPKSYQIZKHMZFU-NSHDSACASA-N 0 1 394.273 2.831 20 0 GFADMN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1cn2ccc(Br)cc2n1 ZINC000652050073 565912618 /nfs/dbraw/zinc/91/26/18/565912618.db2.gz VBEITSATHLTELF-HNNXBMFYSA-N 0 1 387.281 2.963 20 0 GFADMN CS(=O)(=O)Nc1cccc(CN[C@@H](CO)c2cccc(Br)c2)c1 ZINC000675765582 565915155 /nfs/dbraw/zinc/91/51/55/565915155.db2.gz LXYVOZZNCZFNHI-INIZCTEOSA-N 0 1 399.310 2.644 20 0 GFADMN O=C(CCCc1ccccc1Br)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000675785913 565916050 /nfs/dbraw/zinc/91/60/50/565916050.db2.gz KBPLXOADHLIVIC-ROUUACIJSA-N 0 1 395.341 2.829 20 0 GFADMN Brc1ccccc1C1(CNCc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631078108 565938916 /nfs/dbraw/zinc/93/89/16/565938916.db2.gz QQQFFNRDVSDQCW-CQSZACIVSA-N 0 1 391.313 2.899 20 0 GFADMN COc1cc(CNCc2n[nH]c([C@@H]3CCCO3)n2)c(F)cc1Br ZINC000631168779 565945611 /nfs/dbraw/zinc/94/56/11/565945611.db2.gz KAOBIOJOGSWUOF-LBPRGKRZSA-N 0 1 385.237 2.856 20 0 GFADMN [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(Br)ccc2[O-])C1 ZINC000653261423 565960091 /nfs/dbraw/zinc/96/00/91/565960091.db2.gz RIWTXTNVMPSMCD-XPKDYRNWSA-N 0 1 383.286 2.656 20 0 GFADMN CCN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C[C@H]1C ZINC000677194082 565964152 /nfs/dbraw/zinc/96/41/52/565964152.db2.gz QCXGCZRVQSORCK-OCCSQVGLSA-N 0 1 384.307 2.899 20 0 GFADMN COc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1Br ZINC000677234074 565965420 /nfs/dbraw/zinc/96/54/20/565965420.db2.gz MGXOBRBQBOAQIA-UHFFFAOYSA-N 0 1 392.662 2.889 20 0 GFADMN CCC[C@H](NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)c1nn[nH]n1 ZINC000631673148 565965912 /nfs/dbraw/zinc/96/59/12/565965912.db2.gz CWQKLGUJKNRBBC-IGQOVBAYSA-N 0 1 376.258 2.506 20 0 GFADMN NS(=O)(=O)c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1Cl ZINC000677298839 565968194 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Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615428 599957309 /nfs/dbraw/zinc/95/73/09/599957309.db2.gz NYPTZWDAZDNBIA-HZPDHXFCSA-N 0 1 399.495 2.600 20 0 GFADMN CC(C)(C)n1cc(CN2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)cn1 ZINC000736306270 599963835 /nfs/dbraw/zinc/96/38/35/599963835.db2.gz PCHWBARNJTXYQE-UHFFFAOYSA-N 0 1 386.496 2.533 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000740024612 599994348 /nfs/dbraw/zinc/99/43/48/599994348.db2.gz HKABUOPWNCRGMX-CTNGQTDRSA-N 0 1 397.475 2.981 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000740175064 600016988 /nfs/dbraw/zinc/01/69/88/600016988.db2.gz CTHWAUUJDNHEDD-AWEZNQCLSA-N 0 1 386.539 2.769 20 0 GFADMN CC[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccs1 ZINC000737068545 600048752 /nfs/dbraw/zinc/04/87/52/600048752.db2.gz SHZACNXNCFLEQG-SFHVURJKSA-N 0 1 385.489 2.863 20 0 GFADMN CC[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccs1 ZINC000737068545 600048754 /nfs/dbraw/zinc/04/87/54/600048754.db2.gz SHZACNXNCFLEQG-SFHVURJKSA-N 0 1 385.489 2.863 20 0 GFADMN O=C([O-])[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308259 600098345 /nfs/dbraw/zinc/09/83/45/600098345.db2.gz YDJMRGCZMWXYSY-DOTOQJQBSA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308259 600098349 /nfs/dbraw/zinc/09/83/49/600098349.db2.gz YDJMRGCZMWXYSY-DOTOQJQBSA-N 0 1 379.888 2.811 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1ccc(Br)cn1)(C(=O)[O-])c1ccccc1 ZINC000736918244 600128959 /nfs/dbraw/zinc/12/89/59/600128959.db2.gz RJJCAMVDZPZMRY-KRWDZBQOSA-N 0 1 392.253 2.762 20 0 GFADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736759747 600178720 /nfs/dbraw/zinc/17/87/20/600178720.db2.gz KDHRNSHYSCGCOK-CZAAIQMYSA-N 0 1 378.472 2.903 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736251253 600230879 /nfs/dbraw/zinc/23/08/79/600230879.db2.gz OKCYPELWXLXHRA-AOIWGVFYSA-N 0 1 393.524 2.660 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000736251253 600230880 /nfs/dbraw/zinc/23/08/80/600230880.db2.gz OKCYPELWXLXHRA-AOIWGVFYSA-N 0 1 393.524 2.660 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC2 ZINC000739277425 600291813 /nfs/dbraw/zinc/29/18/13/600291813.db2.gz AHSSBTXPBGHVTD-WBVHZDCISA-N 0 1 385.489 2.535 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)N1N=C(c3ccco3)C[C@H]1c1ccco1)CC2 ZINC000739531333 600300195 /nfs/dbraw/zinc/30/01/95/600300195.db2.gz GYZKKQDCXVBMII-HOCLYGCPSA-N 0 1 397.431 2.737 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736788256 600303921 /nfs/dbraw/zinc/30/39/21/600303921.db2.gz CLEQDZKTJCKKLG-CYBMUJFWSA-N 0 1 395.887 2.748 20 0 GFADMN 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CN(C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(=O)[O-] ZINC000739658825 602541811 /nfs/dbraw/zinc/54/18/11/602541811.db2.gz BKBPKWQUOCMRCD-YPMHNXCESA-N 0 1 377.268 2.665 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000737931142 602541928 /nfs/dbraw/zinc/54/19/28/602541928.db2.gz VOCLZKOLVVYASG-UHFFFAOYSA-N 0 1 388.512 2.607 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)[N@@H+]1CCc2sccc2C1 ZINC000739001507 602542330 /nfs/dbraw/zinc/54/23/30/602542330.db2.gz FEMBOJPJIWHBHZ-KGLIPLIRSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)[N@H+]1CCc2sccc2C1 ZINC000739001507 602542332 /nfs/dbraw/zinc/54/23/32/602542332.db2.gz FEMBOJPJIWHBHZ-KGLIPLIRSA-N 0 1 394.541 2.572 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000738835464 602638158 /nfs/dbraw/zinc/63/81/58/602638158.db2.gz RCGISQPBTHPUDD-SFHVURJKSA-N 0 1 382.549 2.965 20 0 GFADMN O=C([O-])NCc1nc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000740683801 602701435 /nfs/dbraw/zinc/70/14/35/602701435.db2.gz KKKBFRQUCPVGDD-OAHLLOKOSA-N 0 1 388.493 2.695 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738833554 602707165 /nfs/dbraw/zinc/70/71/65/602707165.db2.gz HLCKMMAHDGOVTA-UHFFFAOYSA-N 0 1 376.482 2.681 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1F ZINC000740235478 602707696 /nfs/dbraw/zinc/70/76/96/602707696.db2.gz FYAFJVBRKBZFLR-AWEZNQCLSA-N 0 1 389.431 2.509 20 0 GFADMN O=C([O-])N1CCC[C@H]1C1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000740729793 602718849 /nfs/dbraw/zinc/71/88/49/602718849.db2.gz QXTZEZSAPQUKQF-FUHWJXTLSA-N 0 1 375.444 2.785 20 0 GFADMN C[C@H]1CN(C(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000739162415 602738030 /nfs/dbraw/zinc/73/80/30/602738030.db2.gz UXSZLGPRAAOHFA-JTQLQIEISA-N 0 1 388.237 2.601 20 0 GFADMN C[C@H]1CN(C(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000739162415 602738032 /nfs/dbraw/zinc/73/80/32/602738032.db2.gz UXSZLGPRAAOHFA-JTQLQIEISA-N 0 1 388.237 2.601 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1)C(C)C ZINC000739452202 602775396 /nfs/dbraw/zinc/77/53/96/602775396.db2.gz ONXQDBDPIPLVKD-MAUKXSAKSA-N 0 1 376.501 2.838 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1)C(C)C ZINC000739452202 602775397 /nfs/dbraw/zinc/77/53/97/602775397.db2.gz ONXQDBDPIPLVKD-MAUKXSAKSA-N 0 1 376.501 2.838 20 0 GFADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000739190595 602840701 /nfs/dbraw/zinc/84/07/01/602840701.db2.gz ONGWLLUAVPCWJN-RLFYNMQTSA-N 0 1 375.469 2.767 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634953 602863265 /nfs/dbraw/zinc/86/32/65/602863265.db2.gz TXMKZKBENDBMCQ-SWLSCSKDSA-N 0 1 385.386 2.790 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634953 602863267 /nfs/dbraw/zinc/86/32/67/602863267.db2.gz TXMKZKBENDBMCQ-SWLSCSKDSA-N 0 1 385.386 2.790 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634959 602863816 /nfs/dbraw/zinc/86/38/16/602863816.db2.gz TXMKZKBENDBMCQ-WFASDCNBSA-N 0 1 385.386 2.790 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634959 602863819 /nfs/dbraw/zinc/86/38/19/602863819.db2.gz TXMKZKBENDBMCQ-WFASDCNBSA-N 0 1 385.386 2.790 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000736764689 602904693 /nfs/dbraw/zinc/90/46/93/602904693.db2.gz XRFLWFJFWPMWAN-VQIMIIECSA-N 0 1 388.512 2.823 20 0 GFADMN CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)[O-] ZINC000738776071 602915837 /nfs/dbraw/zinc/91/58/37/602915837.db2.gz DWMZDJJZHHNQKO-NEWSRXKRSA-N 0 1 390.528 2.973 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[C@@H]1NC(=O)[O-] ZINC000739149007 602918260 /nfs/dbraw/zinc/91/82/60/602918260.db2.gz YTLWQVOJXOUZJA-ZBFHGGJFSA-N 0 1 392.525 2.745 20 0 GFADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736811385 602985733 /nfs/dbraw/zinc/98/57/33/602985733.db2.gz YNWSSVDVCXHJLP-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736811385 602985736 /nfs/dbraw/zinc/98/57/36/602985736.db2.gz YNWSSVDVCXHJLP-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H](c1ccc(NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739058369 603030853 /nfs/dbraw/zinc/03/08/53/603030853.db2.gz OKBWVLACSJGHGV-CRAIPNDOSA-N 0 1 390.484 2.734 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])C1 ZINC000739104726 603041492 /nfs/dbraw/zinc/04/14/92/603041492.db2.gz ISEFDQUGZGDSAU-FGTMMUONSA-N 0 1 380.533 2.815 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN(C(=O)[O-])C2CC2)C1 ZINC000739098906 603041645 /nfs/dbraw/zinc/04/16/45/603041645.db2.gz AEYAOLKRASMVFW-IAGOWNOFSA-N 0 1 380.533 2.815 20 0 GFADMN CC(C)(CNC(=O)NC1CCC(NC(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738751595 603091728 /nfs/dbraw/zinc/09/17/28/603091728.db2.gz XLZQSKZMMQWXOU-UHFFFAOYSA-N 0 1 388.512 2.701 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c1 ZINC000739386191 603122454 /nfs/dbraw/zinc/12/24/54/603122454.db2.gz XFJIQZOPFKWMIE-UHFFFAOYSA-N 0 1 381.476 2.560 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000826056409 603167719 /nfs/dbraw/zinc/16/77/19/603167719.db2.gz CKQPQACDMHKLOV-MDZRGWNJSA-N 0 1 389.496 2.510 20 0 GFADMN COc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000739906529 603236299 /nfs/dbraw/zinc/23/62/99/603236299.db2.gz BKDALJYUJTYPLG-RBUKOAKNSA-N 0 1 389.496 2.651 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739907645 603236321 /nfs/dbraw/zinc/23/63/21/603236321.db2.gz RVJHCPDFJGKTSE-QZTJIDSGSA-N 0 1 389.496 2.556 20 0 GFADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000740536909 603276523 /nfs/dbraw/zinc/27/65/23/603276523.db2.gz RQRODXCBSOLFHW-WOJBJXKFSA-N 0 1 381.476 2.646 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739715831 603278002 /nfs/dbraw/zinc/27/80/02/603278002.db2.gz RJQKVXAXZCGPKU-MOPGFXCFSA-N 0 1 385.464 2.964 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739715831 603278005 /nfs/dbraw/zinc/27/80/05/603278005.db2.gz RJQKVXAXZCGPKU-MOPGFXCFSA-N 0 1 385.464 2.964 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCCNC(=O)[O-] ZINC000739106825 603280558 /nfs/dbraw/zinc/28/05/58/603280558.db2.gz RRHCZRNCANJHSJ-MRXNPFEDSA-N 0 1 376.501 2.860 20 0 GFADMN C[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1ccc(F)cc1Cl ZINC000738976308 603368083 /nfs/dbraw/zinc/36/80/83/603368083.db2.gz VJYFWLFUSPAITE-GFCCVEGCSA-N 0 1 386.855 2.525 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000825423331 603387357 /nfs/dbraw/zinc/38/73/57/603387357.db2.gz OYDBCSHNEPAIIX-OAHLLOKOSA-N 0 1 391.516 2.505 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000825423331 603387360 /nfs/dbraw/zinc/38/73/60/603387360.db2.gz OYDBCSHNEPAIIX-OAHLLOKOSA-N 0 1 391.516 2.505 20 0 GFADMN Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830191828 603408887 /nfs/dbraw/zinc/40/88/87/603408887.db2.gz FAAOWMIAJFWFNA-HLLBOEOZSA-N 0 1 375.469 2.799 20 0 GFADMN Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830191828 603408890 /nfs/dbraw/zinc/40/88/90/603408890.db2.gz FAAOWMIAJFWFNA-HLLBOEOZSA-N 0 1 375.469 2.799 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794056 603479077 /nfs/dbraw/zinc/47/90/77/603479077.db2.gz FNDLZCWZIJDNAM-NZSAHSFTSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)NCC2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825793956 603479167 /nfs/dbraw/zinc/47/91/67/603479167.db2.gz CYTZDIFXVYUEPR-VQIMIIECSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825795852 603483390 /nfs/dbraw/zinc/48/33/90/603483390.db2.gz YKFKOWAYQPAXJA-NXWXRZEISA-N 0 1 388.512 2.775 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794554 603486512 /nfs/dbraw/zinc/48/65/12/603486512.db2.gz MMHXNBBSKOOOEW-NZSAHSFTSA-N 0 1 388.512 2.729 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000827355974 603530127 /nfs/dbraw/zinc/53/01/27/603530127.db2.gz MLQBKFOJMSXQAL-CQSZACIVSA-N 0 1 387.436 2.950 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000827355974 603530132 /nfs/dbraw/zinc/53/01/32/603530132.db2.gz MLQBKFOJMSXQAL-CQSZACIVSA-N 0 1 387.436 2.950 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000825900362 603698428 /nfs/dbraw/zinc/69/84/28/603698428.db2.gz GTCYVCSIEFAKAE-IRXDYDNUSA-N 0 1 389.496 2.764 20 0 GFADMN C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1CNC(=O)[O-] ZINC000825925672 603729068 /nfs/dbraw/zinc/72/90/68/603729068.db2.gz RCEOQROHQXHXDD-MLGOLLRUSA-N 0 1 388.493 2.777 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1CNC(=O)[O-] ZINC000825925672 603729070 /nfs/dbraw/zinc/72/90/70/603729070.db2.gz RCEOQROHQXHXDD-MLGOLLRUSA-N 0 1 388.493 2.777 20 0 GFADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])cc1 ZINC000828017616 603852777 /nfs/dbraw/zinc/85/27/77/603852777.db2.gz RPLDIMJRUHLMAU-IAGOWNOFSA-N 0 1 390.484 2.732 20 0 GFADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2(NC(=O)[O-])CCCCCC2)C1 ZINC000828168346 603897190 /nfs/dbraw/zinc/89/71/90/603897190.db2.gz HPMQMEUDSLMXHB-KRWDZBQOSA-N 0 1 380.533 2.720 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000828167891 603993878 /nfs/dbraw/zinc/99/38/78/603993878.db2.gz BZTOQLCBLBVSSR-GFCCVEGCSA-N 0 1 377.268 2.807 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1)C(=O)[O-] ZINC000828259977 603997901 /nfs/dbraw/zinc/99/79/01/603997901.db2.gz PDZKJOBHCDQNFG-HNNXBMFYSA-N 0 1 382.526 2.690 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1)C(=O)[O-] ZINC000828259977 603997903 /nfs/dbraw/zinc/99/79/03/603997903.db2.gz PDZKJOBHCDQNFG-HNNXBMFYSA-N 0 1 382.526 2.690 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909591 604113590 /nfs/dbraw/zinc/11/35/90/604113590.db2.gz VXEFEMJYLZTPLN-CQSZACIVSA-N 0 1 376.482 2.665 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909591 604113592 /nfs/dbraw/zinc/11/35/92/604113592.db2.gz VXEFEMJYLZTPLN-CQSZACIVSA-N 0 1 376.482 2.665 20 0 GFADMN Cc1ccc(NC(=O)[C@@H](C)CN(C)C(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000830358295 604125935 /nfs/dbraw/zinc/12/59/35/604125935.db2.gz LLPUVEAAQAHQNF-HNNXBMFYSA-N 0 1 390.484 2.604 20 0 GFADMN CC(C)[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805877 604251379 /nfs/dbraw/zinc/25/13/79/604251379.db2.gz GDQAMLCBTKQMCI-RVKKMQEKSA-N 0 1 377.485 2.569 20 0 GFADMN CC(C)[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805877 604251380 /nfs/dbraw/zinc/25/13/80/604251380.db2.gz GDQAMLCBTKQMCI-RVKKMQEKSA-N 0 1 377.485 2.569 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830818196 604314724 /nfs/dbraw/zinc/31/47/24/604314724.db2.gz IJNLVQBKYQQLPV-PBHICJAKSA-N 0 1 385.468 2.608 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@H](NC(=O)[O-])C3)ccc2c1 ZINC000739938022 604370416 /nfs/dbraw/zinc/37/04/16/604370416.db2.gz QSCVIQZUQWXADB-RDTXWAMCSA-N 0 1 385.464 2.537 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@H](NC(=O)[O-])C3)ccc2c1 ZINC000739938022 604370419 /nfs/dbraw/zinc/37/04/19/604370419.db2.gz QSCVIQZUQWXADB-RDTXWAMCSA-N 0 1 385.464 2.537 20 0 GFADMN 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ZINC000833538159 604632844 /nfs/dbraw/zinc/63/28/44/604632844.db2.gz QYTXWESLDWMFEM-GDBMZVCRSA-N 0 1 378.469 2.980 20 0 GFADMN CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000830434187 604758857 /nfs/dbraw/zinc/75/88/57/604758857.db2.gz BVXWJEJQSHMTKF-CQSZACIVSA-N 0 1 385.468 2.511 20 0 GFADMN CC1CCC2(CC1)NC(=O)N(C[N@H+](CCCC(=O)[O-])Cc1ccccc1)C2=O ZINC000828233563 604763153 /nfs/dbraw/zinc/76/31/53/604763153.db2.gz QSZDKWBNZVLHMG-UHFFFAOYSA-N 0 1 387.480 2.812 20 0 GFADMN CC1CCC2(CC1)NC(=O)N(C[N@@H+](CCCC(=O)[O-])Cc1ccccc1)C2=O ZINC000828233563 604763157 /nfs/dbraw/zinc/76/31/57/604763157.db2.gz QSZDKWBNZVLHMG-UHFFFAOYSA-N 0 1 387.480 2.812 20 0 GFADMN CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000830238734 604764101 /nfs/dbraw/zinc/76/41/01/604764101.db2.gz TZZZHXWDNVQLEW-JTSKRJEESA-N 0 1 399.491 2.550 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000832915116 604768680 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PDGGUKRIPRUEAW-CYBMUJFWSA-N 0 1 388.917 2.685 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ccc(C(F)(F)F)cc1 ZINC000826295143 607717397 /nfs/dbraw/zinc/71/73/97/607717397.db2.gz SQEGCXYWJDVXJE-UHFFFAOYSA-N 0 1 386.337 2.952 20 0 GFADMN C[N@@H+]1CC[C@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697943 604904969 /nfs/dbraw/zinc/90/49/69/604904969.db2.gz JYRUVJUTJNIGLY-ZFWWWQNUSA-N 0 1 394.884 2.991 20 0 GFADMN C[N@H+]1CC[C@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697943 604904973 /nfs/dbraw/zinc/90/49/73/604904973.db2.gz JYRUVJUTJNIGLY-ZFWWWQNUSA-N 0 1 394.884 2.991 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000833421536 604933119 /nfs/dbraw/zinc/93/31/19/604933119.db2.gz QYVVFRQUAGLYSE-CQSZACIVSA-N 0 1 389.521 2.778 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000833421379 604938341 /nfs/dbraw/zinc/93/83/41/604938341.db2.gz MDKVIEQLCBIAOS-AWEZNQCLSA-N 0 1 382.888 2.658 20 0 GFADMN Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(=O)[O-] ZINC000832945942 604961381 /nfs/dbraw/zinc/96/13/81/604961381.db2.gz BNOFAPSVYVCFRL-XLIONFOSSA-N 0 1 397.475 2.698 20 0 GFADMN C[C@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])[NH+]1CCSCC1 ZINC000833403822 605011921 /nfs/dbraw/zinc/01/19/21/605011921.db2.gz CUFPAKUTTIZVRF-DNVCBOLYSA-N 0 1 386.517 2.637 20 0 GFADMN O=C([O-])c1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br ZINC000322844805 605131189 /nfs/dbraw/zinc/13/11/89/605131189.db2.gz MDKHZFMFTKCODB-UONOGXRCSA-N 0 1 382.258 2.896 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000833621360 605139449 /nfs/dbraw/zinc/13/94/49/605139449.db2.gz AOSQAJURQKOBAS-ZDUSSCGKSA-N 0 1 392.887 2.554 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1c2ccccc2Oc2ccccc21 ZINC000833625658 605156262 /nfs/dbraw/zinc/15/62/62/605156262.db2.gz XCCSOHLJBVTYJJ-OAHLLOKOSA-N 0 1 380.444 2.932 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000833548803 605199902 /nfs/dbraw/zinc/19/99/02/605199902.db2.gz NEQSUZVSLUNOAS-CXAGYDPISA-N 0 1 392.452 2.638 20 0 GFADMN Cc1cc(N2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)nc(C(C)C)n1 ZINC000183931994 605203401 /nfs/dbraw/zinc/20/34/01/605203401.db2.gz JHXSVLXAKCOQEE-UHFFFAOYSA-N 0 1 384.480 2.808 20 0 GFADMN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1coc(-c3ccc(C(=O)[O-])cc3)n1)CC2 ZINC000833659961 605212037 /nfs/dbraw/zinc/21/20/37/605212037.db2.gz JZYROOORRSLASQ-QZTJIDSGSA-N 0 1 386.448 2.792 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)CN3CC[N@@H+](C)CC3(C)C)c2C(=O)[O-])C1 ZINC000833616784 605213408 /nfs/dbraw/zinc/21/34/08/605213408.db2.gz GYVBPFBDYVSRIH-GFCCVEGCSA-N 0 1 379.526 2.536 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833625724 605250161 /nfs/dbraw/zinc/25/01/61/605250161.db2.gz ZSAAHEDOCSPBSL-CYBMUJFWSA-N 0 1 380.535 2.786 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)CC[N@@H+]1CCC(=O)[O-] ZINC000833622193 605276204 /nfs/dbraw/zinc/27/62/04/605276204.db2.gz MZDIYHVLIIZHKF-CQSZACIVSA-N 0 1 386.473 2.600 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)CC[N@H+]1CCC(=O)[O-] ZINC000833622193 605276206 /nfs/dbraw/zinc/27/62/06/605276206.db2.gz MZDIYHVLIIZHKF-CQSZACIVSA-N 0 1 386.473 2.600 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000834187450 605329204 /nfs/dbraw/zinc/32/92/04/605329204.db2.gz ZLHZHAFGOBYHET-XLNGHYISSA-N 0 1 377.872 2.939 20 0 GFADMN CN(C)C(=O)COc1cccc(C[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833688269 605359085 /nfs/dbraw/zinc/35/90/85/605359085.db2.gz NSYBPUCMSCXJGP-GOSISDBHSA-N 0 1 394.830 2.862 20 0 GFADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000784325377 605398577 /nfs/dbraw/zinc/39/85/77/605398577.db2.gz GWVIJDMGVQXWKY-GUDVDZBRSA-N 0 1 379.460 2.810 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C[C@H]21 ZINC000834180901 605432382 /nfs/dbraw/zinc/43/23/82/605432382.db2.gz AADHRWHXODIEHJ-BNEJOLLZSA-N 0 1 375.444 2.514 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)COCc3ccc(Cl)cc3)C[C@@H]21 ZINC000834181763 605447076 /nfs/dbraw/zinc/44/70/76/605447076.db2.gz BSPJVKBOGMSBFI-NRSFXHEJSA-N 0 1 382.888 2.586 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@H]21 ZINC000834187476 605458690 /nfs/dbraw/zinc/45/86/90/605458690.db2.gz ZOKWCSJDHGAWQH-DAXOMENPSA-N 0 1 390.415 2.656 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@H]21 ZINC000834187476 605458693 /nfs/dbraw/zinc/45/86/93/605458693.db2.gz ZOKWCSJDHGAWQH-DAXOMENPSA-N 0 1 390.415 2.656 20 0 GFADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCN(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833499711 605475527 /nfs/dbraw/zinc/47/55/27/605475527.db2.gz LYBPCNFAHNODKF-SJLPKXTDSA-N 0 1 383.439 2.995 20 0 GFADMN CC(C)[N@H+]1CC[C@@H](NC(=O)CCCN(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833499711 605475532 /nfs/dbraw/zinc/47/55/32/605475532.db2.gz LYBPCNFAHNODKF-SJLPKXTDSA-N 0 1 383.439 2.995 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1F ZINC000830817917 605519101 /nfs/dbraw/zinc/51/91/01/605519101.db2.gz DZNZYWFKOVFDIB-WFASDCNBSA-N 0 1 389.431 2.650 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000834031530 605520438 /nfs/dbraw/zinc/52/04/38/605520438.db2.gz UIRPSWRZUZIDII-GDIGMMSISA-N 0 1 389.471 2.784 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000824329455 605609026 /nfs/dbraw/zinc/60/90/26/605609026.db2.gz DVABVMLIWWLBNS-KRWDZBQOSA-N 0 1 379.526 2.629 20 0 GFADMN C[C@@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833623108 605766787 /nfs/dbraw/zinc/76/67/87/605766787.db2.gz ORFRXHMBCSSGCO-LLVKDONJSA-N 0 1 395.431 2.709 20 0 GFADMN C[C@@H]1CN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833623108 605766788 /nfs/dbraw/zinc/76/67/88/605766788.db2.gz ORFRXHMBCSSGCO-LLVKDONJSA-N 0 1 395.431 2.709 20 0 GFADMN O=C([O-])N[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000834156693 605800145 /nfs/dbraw/zinc/80/01/45/605800145.db2.gz CQTDUUDOQSGUPG-KCZVDYSFSA-N 0 1 381.476 2.667 20 0 GFADMN O=C([O-])N[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000834156693 605800147 /nfs/dbraw/zinc/80/01/47/605800147.db2.gz CQTDUUDOQSGUPG-KCZVDYSFSA-N 0 1 381.476 2.667 20 0 GFADMN Cc1cc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)[O-] ZINC000829924167 605891304 /nfs/dbraw/zinc/89/13/04/605891304.db2.gz DUEXSAGTSZBRLF-UXLLHSPISA-N 0 1 375.469 2.799 20 0 GFADMN Cc1cc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)[O-] ZINC000829924167 605891308 /nfs/dbraw/zinc/89/13/08/605891308.db2.gz DUEXSAGTSZBRLF-UXLLHSPISA-N 0 1 375.469 2.799 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](CC(=O)Nc3ccccc3OC(F)F)C2)CC1 ZINC000834007244 605900630 /nfs/dbraw/zinc/90/06/30/605900630.db2.gz IZODSTNGIXMCNK-UHFFFAOYSA-N 0 1 383.395 2.692 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C2)CC1 ZINC000834007244 605900632 /nfs/dbraw/zinc/90/06/32/605900632.db2.gz IZODSTNGIXMCNK-UHFFFAOYSA-N 0 1 383.395 2.692 20 0 GFADMN O=C([O-])N1CCc2ncc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2C1 ZINC000834061656 605916663 /nfs/dbraw/zinc/91/66/63/605916663.db2.gz FRRUMCCJGAWICY-IBGZPJMESA-N 0 1 380.448 2.721 20 0 GFADMN O=C([O-])N1CCc2ncc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2C1 ZINC000834061656 605916666 /nfs/dbraw/zinc/91/66/66/605916666.db2.gz FRRUMCCJGAWICY-IBGZPJMESA-N 0 1 380.448 2.721 20 0 GFADMN CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000739573350 605929411 /nfs/dbraw/zinc/92/94/11/605929411.db2.gz VPXQJOKJMJLRRP-ICSRJNTNSA-N 0 1 385.439 2.715 20 0 GFADMN CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000739573350 605929413 /nfs/dbraw/zinc/92/94/13/605929413.db2.gz VPXQJOKJMJLRRP-ICSRJNTNSA-N 0 1 385.439 2.715 20 0 GFADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCCCN1Cc1ccccc1 ZINC000823249674 606019709 /nfs/dbraw/zinc/01/97/09/606019709.db2.gz FZCCDTSCNHXDLW-LJQANCHMSA-N 0 1 394.454 2.677 20 0 GFADMN C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000833824532 606035992 /nfs/dbraw/zinc/03/59/92/606035992.db2.gz FESIZQCAAODOIS-KNKQGSTJSA-N 0 1 387.524 2.884 20 0 GFADMN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650245 606068402 /nfs/dbraw/zinc/06/84/02/606068402.db2.gz SNKIGVYENHDKFX-XCLFUZPHSA-N 0 1 397.483 2.584 20 0 GFADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563301 606159147 /nfs/dbraw/zinc/15/91/47/606159147.db2.gz PSQVGBOGVILILR-PWFNWSNSSA-N 0 1 385.493 2.676 20 0 GFADMN CC(C)(C)C[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819906687 606186424 /nfs/dbraw/zinc/18/64/24/606186424.db2.gz IVKSBVFVPAVMBA-HNNXBMFYSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658047 606187248 /nfs/dbraw/zinc/18/72/48/606187248.db2.gz OYSIAVGYNSIQQR-DZGCQCFKSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658047 606187249 /nfs/dbraw/zinc/18/72/49/606187249.db2.gz OYSIAVGYNSIQQR-DZGCQCFKSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658047 606187251 /nfs/dbraw/zinc/18/72/51/606187251.db2.gz OYSIAVGYNSIQQR-DZGCQCFKSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658047 606187253 /nfs/dbraw/zinc/18/72/53/606187253.db2.gz OYSIAVGYNSIQQR-DZGCQCFKSA-N 0 1 382.493 2.711 20 0 GFADMN CC[C@H](C)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820859609 606189552 /nfs/dbraw/zinc/18/95/52/606189552.db2.gz GCXNXTYFJFGYCN-YOEHRIQHSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820418540 606309185 /nfs/dbraw/zinc/30/91/85/606309185.db2.gz BFVUPDOURBFQDN-XEZPLFJOSA-N 0 1 382.493 2.815 20 0 GFADMN C[C@@]1(CCc2ccccc2)CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612234 606337795 /nfs/dbraw/zinc/33/77/95/606337795.db2.gz CECCPZTUBMYLJP-SIKLNZKXSA-N 0 1 390.491 2.738 20 0 GFADMN CN(C)Cc1cc(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)ccc1F ZINC000821587087 606346128 /nfs/dbraw/zinc/34/61/28/606346128.db2.gz GBCYZGOIGYOAQG-UHFFFAOYSA-N 0 1 387.394 2.528 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000823748144 606419200 /nfs/dbraw/zinc/41/92/00/606419200.db2.gz RDDPJTQMXNMIPV-UHFFFAOYSA-N 0 1 378.571 2.770 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000823748144 606419202 /nfs/dbraw/zinc/41/92/02/606419202.db2.gz RDDPJTQMXNMIPV-UHFFFAOYSA-N 0 1 378.571 2.770 20 0 GFADMN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650668 606434374 /nfs/dbraw/zinc/43/43/74/606434374.db2.gz XGZOEUOYHLQXCF-ZUOKHONESA-N 0 1 397.483 2.584 20 0 GFADMN COc1cc(CC2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821713235 606438663 /nfs/dbraw/zinc/43/86/63/606438663.db2.gz SIXNIGYAMHREKK-UHFFFAOYSA-N 0 1 383.427 2.698 20 0 GFADMN Cc1noc([C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822528268 606483704 /nfs/dbraw/zinc/48/37/04/606483704.db2.gz ZKFMZOOCUWYPNF-CYBMUJFWSA-N 0 1 391.382 2.539 20 0 GFADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197226 606499971 /nfs/dbraw/zinc/49/99/71/606499971.db2.gz HUZDHMSPFADJOA-UHFFFAOYSA-N 0 1 386.481 2.901 20 0 GFADMN CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197226 606499973 /nfs/dbraw/zinc/49/99/73/606499973.db2.gz HUZDHMSPFADJOA-UHFFFAOYSA-N 0 1 386.481 2.901 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(OCC2CC2)CC1 ZINC000822732880 606505260 /nfs/dbraw/zinc/50/52/60/606505260.db2.gz NLZIKCKKNYVKSW-UHFFFAOYSA-N 0 1 379.411 2.859 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-c2ccccc2)cc1 ZINC000821601545 606700620 /nfs/dbraw/zinc/70/06/20/606700620.db2.gz MZIQIUMIWOCURF-UHFFFAOYSA-N 0 1 388.479 2.904 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-c2ccccc2)cc1 ZINC000821601545 606700622 /nfs/dbraw/zinc/70/06/22/606700622.db2.gz MZIQIUMIWOCURF-UHFFFAOYSA-N 0 1 388.479 2.904 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-c2ccccc2)cc1 ZINC000821601545 606700624 /nfs/dbraw/zinc/70/06/24/606700624.db2.gz MZIQIUMIWOCURF-UHFFFAOYSA-N 0 1 388.479 2.904 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-c2ccccc2)cc1 ZINC000821601545 606700626 /nfs/dbraw/zinc/70/06/26/606700626.db2.gz MZIQIUMIWOCURF-UHFFFAOYSA-N 0 1 388.479 2.904 20 0 GFADMN CCO[C@H]1C[C@H](N(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359292 606854182 /nfs/dbraw/zinc/85/41/82/606854182.db2.gz NJTVHUGIKUUZER-OALUTQOASA-N 0 1 393.495 2.967 20 0 GFADMN FC(F)(F)c1cc(N[C@H]2CCCC[C@@H]2N2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723790 606876800 /nfs/dbraw/zinc/87/68/00/606876800.db2.gz OMHMSYOCHQWRNI-HOTGVXAUSA-N 0 1 396.417 2.941 20 0 GFADMN C[C@H]1CC[C@H](CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683769 607023089 /nfs/dbraw/zinc/02/30/89/607023089.db2.gz HCFBGXXWHKHUBR-WMZOPIPTSA-N 0 1 382.512 2.727 20 0 GFADMN C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821607276 607058387 /nfs/dbraw/zinc/05/83/87/607058387.db2.gz HMQAVFYLSDFEKL-UHFFFAOYSA-N 0 1 390.463 2.837 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826077151 608021875 /nfs/dbraw/zinc/02/18/75/608021875.db2.gz BLGICGJGMHEKOS-HNNXBMFYSA-N 0 1 396.499 2.510 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826077151 608021876 /nfs/dbraw/zinc/02/18/76/608021876.db2.gz BLGICGJGMHEKOS-HNNXBMFYSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@H](C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000825051818 608022801 /nfs/dbraw/zinc/02/28/01/608022801.db2.gz SKOAQZRKVBPHMH-VIFPVBQESA-N 0 1 390.241 2.559 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000826179629 608039873 /nfs/dbraw/zinc/03/98/73/608039873.db2.gz WYWAPVBUCSXJBE-UHFFFAOYSA-N 0 1 381.436 2.754 20 0 GFADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028946 608113672 /nfs/dbraw/zinc/11/36/72/608113672.db2.gz KZFSUCWJHRPNTI-HOCLYGCPSA-N 0 1 376.436 2.741 20 0 GFADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028946 608113673 /nfs/dbraw/zinc/11/36/73/608113673.db2.gz KZFSUCWJHRPNTI-HOCLYGCPSA-N 0 1 376.436 2.741 20 0 GFADMN Cc1ccc([C@@H]2CCN([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285803 608126582 /nfs/dbraw/zinc/12/65/82/608126582.db2.gz KGEPRIZRIDEHHZ-WBVHZDCISA-N 0 1 394.504 2.831 20 0 GFADMN Cc1cccc([C@H]2CCN([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297945 608128175 /nfs/dbraw/zinc/12/81/75/608128175.db2.gz XRVSDDBUFMBNFS-DOTOQJQBSA-N 0 1 394.504 2.831 20 0 GFADMN CCN1C[C@@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825444277 608227309 /nfs/dbraw/zinc/22/73/09/608227309.db2.gz LGIYLOQIOOZTIR-GHMZBOCLSA-N 0 1 379.921 2.631 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000826168998 608356901 /nfs/dbraw/zinc/35/69/01/608356901.db2.gz DZFPMIYYHYDQTP-HNNXBMFYSA-N 0 1 383.456 2.761 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000824875944 608399582 /nfs/dbraw/zinc/39/95/82/608399582.db2.gz PRJNTHSLUFLUMC-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000824875944 608399584 /nfs/dbraw/zinc/39/95/84/608399584.db2.gz PRJNTHSLUFLUMC-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000824875944 608399586 /nfs/dbraw/zinc/39/95/86/608399586.db2.gz PRJNTHSLUFLUMC-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000824875944 608399588 /nfs/dbraw/zinc/39/95/88/608399588.db2.gz PRJNTHSLUFLUMC-GASCZTMLSA-N 0 1 378.484 2.747 20 0 GFADMN O=C(NC1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1)C1CCCCC1 ZINC000826431532 608402891 /nfs/dbraw/zinc/40/28/91/608402891.db2.gz FASSKVTYYAGESQ-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824984942 608406273 /nfs/dbraw/zinc/40/62/73/608406273.db2.gz PQMNKYXFVPXSSP-WFASDCNBSA-N 0 1 390.463 2.741 20 0 GFADMN Cc1ccccc1C[C@H](C)NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307147 608460310 /nfs/dbraw/zinc/46/03/10/608460310.db2.gz XOKZULOLXQUNPZ-JKSUJKDBSA-N 0 1 378.480 2.573 20 0 GFADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529116 608476005 /nfs/dbraw/zinc/47/60/05/608476005.db2.gz DVPKHHZLPYUCON-WDEREUQCSA-N 0 1 398.492 2.800 20 0 GFADMN c1c2ccccc2sc1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826525249 608509913 /nfs/dbraw/zinc/50/99/13/608509913.db2.gz CFMZENCDGPBABR-UHFFFAOYSA-N 0 1 377.477 2.799 20 0 GFADMN C[C@@H]1CCc2ccccc2N1C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824969021 608532383 /nfs/dbraw/zinc/53/23/83/608532383.db2.gz SEQLPRDYBDWQPP-OAHLLOKOSA-N 0 1 388.475 2.813 20 0 GFADMN CC(C)(C)Oc1cccc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000824123904 608543514 /nfs/dbraw/zinc/54/35/14/608543514.db2.gz MDLYPHAZCHPEKT-UHFFFAOYSA-N 0 1 376.420 2.802 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000826519506 608658606 /nfs/dbraw/zinc/65/86/06/608658606.db2.gz BDFPQYDHCPGDDP-UHFFFAOYSA-N 0 1 394.464 2.753 20 0 GFADMN COc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(OC)c1 ZINC000826194259 608680899 /nfs/dbraw/zinc/68/08/99/608680899.db2.gz HBKAJVKSGDZPBW-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824945480 608700506 /nfs/dbraw/zinc/70/05/06/608700506.db2.gz CZGJOQKANYZHGA-JSGCOSHPSA-N 0 1 376.461 2.585 20 0 GFADMN c1ccc2c(c1)OCC[C@@H]2CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513691 608852192 /nfs/dbraw/zinc/85/21/92/608852192.db2.gz SUJIDFKLTIBMDX-XLIONFOSSA-N 0 1 377.448 2.806 20 0 GFADMN C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528815 609134862 /nfs/dbraw/zinc/13/48/62/609134862.db2.gz CMBNJJNWHCKUPI-SCLBCKFNSA-N 0 1 382.443 2.876 20 0 GFADMN C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548755 609154450 /nfs/dbraw/zinc/15/44/50/609154450.db2.gz ZHGCFZKFNFEBIB-YVEFUNNKSA-N 0 1 398.417 2.991 20 0 GFADMN Cc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283353 609167927 /nfs/dbraw/zinc/16/79/27/609167927.db2.gz OYSXBNQZGBUYOU-KXBFYZLASA-N 0 1 391.479 2.725 20 0 GFADMN CC[C@H](C)[C@H](C)N(C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825060943 609299779 /nfs/dbraw/zinc/29/97/79/609299779.db2.gz VHLBYLJXDDZJSG-UWVGGRQHSA-N 0 1 376.486 2.728 20 0 GFADMN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296773 609329835 /nfs/dbraw/zinc/32/98/35/609329835.db2.gz IRRUKTGBHZVLPQ-GOEBONIOSA-N 0 1 385.443 2.713 20 0 GFADMN COc1ccc(C)cc1CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826189845 609335570 /nfs/dbraw/zinc/33/55/70/609335570.db2.gz GZASQYQJIIIULG-UHFFFAOYSA-N 0 1 389.463 2.874 20 0 GFADMN Cn1cc(CN[C@@H]2CCOc3ccccc32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361199 609336159 /nfs/dbraw/zinc/33/61/59/609336159.db2.gz OVAPRYMVBQYIGN-GOSISDBHSA-N 0 1 387.447 2.881 20 0 GFADMN COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCN2C2CC2)c1 ZINC000826215513 609346666 /nfs/dbraw/zinc/34/66/66/609346666.db2.gz QZNJCBXGZWRATG-IEBWSBKVSA-N 0 1 380.452 2.536 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546402 609412136 /nfs/dbraw/zinc/41/21/36/609412136.db2.gz ISHIUXUGKOXGAG-FZKQIMNGSA-N 0 1 380.427 2.852 20 0 GFADMN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514191 609456612 /nfs/dbraw/zinc/45/66/12/609456612.db2.gz MWPDSXDYKJVPDV-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824514191 609456613 /nfs/dbraw/zinc/45/66/13/609456613.db2.gz MWPDSXDYKJVPDV-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824514191 609456614 /nfs/dbraw/zinc/45/66/14/609456614.db2.gz MWPDSXDYKJVPDV-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824514191 609456615 /nfs/dbraw/zinc/45/66/15/609456615.db2.gz MWPDSXDYKJVPDV-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc3ccc(Br)cn3n2)n[nH]1 ZINC000482204356 650662049 /nfs/dbraw/zinc/66/20/49/650662049.db2.gz YZTMHYMWDNCQDQ-SECBINFHSA-N 0 1 377.246 2.881 20 0 GFADMN CCS(=O)(=O)c1ccc2oc(=S)n(CN(C)C[C@H]3CCCN3C)c2c1 ZINC000817374278 660192364 /nfs/dbraw/zinc/19/23/64/660192364.db2.gz RDIRAMVKNNBOQS-CYBMUJFWSA-N 0 1 383.539 2.741 20 0 GFADMN Cc1cccc(CNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1Br ZINC000819257239 660252300 /nfs/dbraw/zinc/25/23/00/660252300.db2.gz UMYKMTZNYJGKHW-INIZCTEOSA-N 0 1 398.322 2.984 20 0 GFADMN C[C@H]1COCCN1C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000820124706 660282255 /nfs/dbraw/zinc/28/22/55/660282255.db2.gz FVLQZHBZZKQSEV-YVEFUNNKSA-N 0 1 387.307 2.739 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)n[nH]1 ZINC000822408792 660344880 /nfs/dbraw/zinc/34/48/80/660344880.db2.gz GLEWYPHPDKKTKK-MRXNPFEDSA-N 0 1 399.264 2.528 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000823378732 660370243 /nfs/dbraw/zinc/37/02/43/660370243.db2.gz XJFNZNOJGDCQCU-AAEUAGOBSA-N 0 1 384.217 2.652 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000823378734 660370314 /nfs/dbraw/zinc/37/03/14/660370314.db2.gz XJFNZNOJGDCQCU-WCQYABFASA-N 0 1 384.217 2.652 20 0 GFADMN CN(Cc1csc(Br)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565661 660397235 /nfs/dbraw/zinc/39/72/35/660397235.db2.gz ZUENAPIIMGSRMC-LLVKDONJSA-N 0 1 379.320 2.828 20 0 GFADMN COC(=O)c1cc(CN(C)C[C@@H](O)c2ccccc2Br)cn1C ZINC000825306052 660419727 /nfs/dbraw/zinc/41/97/27/660419727.db2.gz YZBPBRKTRVCRAU-MRXNPFEDSA-N 0 1 381.270 2.740 20 0 GFADMN CCc1c(NC(=O)C[C@@H]2CC(=O)N2)[nH]nc1-c1ccc(Br)cc1 ZINC000827321237 660489055 /nfs/dbraw/zinc/48/90/55/660489055.db2.gz NSKZDKDPKRCAQQ-NSHDSACASA-N 0 1 377.242 2.619 20 0 GFADMN C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828273709 660541779 /nfs/dbraw/zinc/54/17/79/660541779.db2.gz ONSWPWMLMLFNAH-LLVKDONJSA-N 0 1 388.237 2.601 20 0 GFADMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000828365312 660545154 /nfs/dbraw/zinc/54/51/54/660545154.db2.gz WGKQFJRXACGWFZ-IWSPIJDZSA-N 0 1 394.312 2.764 20 0 GFADMN Cc1nnc(SCCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)[nH]1 ZINC000828729743 660565756 /nfs/dbraw/zinc/56/57/56/660565756.db2.gz WPMOYMSQBPSWGD-NWANDNLSSA-N 0 1 393.310 2.812 20 0 GFADMN CCc1csc(N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 ZINC000828910853 660575052 /nfs/dbraw/zinc/57/50/52/660575052.db2.gz ARLOSWOVDIJNRQ-OLZOCXBDSA-N 0 1 377.432 2.758 20 0 GFADMN COc1cc(C(=O)N(C)CCN2CC3(C2)CCOCC3)ccc1Br ZINC000829221721 660585908 /nfs/dbraw/zinc/58/59/08/660585908.db2.gz PLQVQYODNSEXLX-UHFFFAOYSA-N 0 1 397.313 2.642 20 0 GFADMN Cc1ccc(Br)cc1C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829266041 660587080 /nfs/dbraw/zinc/58/70/80/660587080.db2.gz DJPQFSZCAVBNBX-UHFFFAOYSA-N 0 1 381.314 2.942 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)COc1c(Cl)cccc1Cl ZINC000829293843 660588047 /nfs/dbraw/zinc/58/80/47/660588047.db2.gz VEUYIPYVWSLXMZ-UHFFFAOYSA-N 0 1 387.307 2.943 20 0 GFADMN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1Cc1nc(N)nc(N(C)C)n1 ZINC000626040908 652381018 /nfs/dbraw/zinc/38/10/18/652381018.db2.gz NQPDOKJIZGLCAL-AAEUAGOBSA-N 0 1 391.317 2.660 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)N1CCCCC1 ZINC000830134895 660637710 /nfs/dbraw/zinc/63/77/10/660637710.db2.gz ZZBKRXPDWPMEIA-SNVBAGLBSA-N 0 1 396.738 2.650 20 0 GFADMN CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc(OC3CC3)cc2)s1 ZINC000830161276 660639377 /nfs/dbraw/zinc/63/93/77/660639377.db2.gz PGIMVZYYJGABQX-UHFFFAOYSA-N 0 1 382.463 2.591 20 0 GFADMN Brc1cnc(C2CC2)nc1NCc1n[nH]c(C2CCOCC2)n1 ZINC000631460487 652525282 /nfs/dbraw/zinc/52/52/82/652525282.db2.gz SRLTYLAHPCZZMV-UHFFFAOYSA-N 0 1 379.262 2.741 20 0 GFADMN CN(C)C(=O)O[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000830488528 660659122 /nfs/dbraw/zinc/65/91/22/660659122.db2.gz WVKUKJBIFZIXKF-NWDGAFQWSA-N 0 1 377.268 2.506 20 0 GFADMN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000832574676 660787214 /nfs/dbraw/zinc/78/72/14/660787214.db2.gz ODQKOEDYQULHNE-UHFFFAOYSA-N 0 1 390.981 2.903 20 0 GFADMN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cc(Br)[nH]n1 ZINC000834781339 660832871 /nfs/dbraw/zinc/83/28/71/660832871.db2.gz HFEVSCQNYAVJEA-CQSZACIVSA-N 0 1 392.253 2.910 20 0 GFADMN COc1c(C)cc([C@@H](C)NCCS(=O)(=O)C2CCOCC2)cc1Cl ZINC000834890344 660837044 /nfs/dbraw/zinc/83/70/44/660837044.db2.gz MPUPHCVHTJTSSF-CYBMUJFWSA-N 0 1 375.918 2.901 20 0 GFADMN C[C@@H]1CN(C(=O)CCSc2nc3ccccc3s2)C[C@H](C)N1CCO ZINC000836865093 660951445 /nfs/dbraw/zinc/95/14/45/660951445.db2.gz DJVHKLSMRXRJOY-OKILXGFUSA-N 0 1 379.551 2.692 20 0 GFADMN CN1C(=O)COc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000011908303 654499300 /nfs/dbraw/zinc/49/93/00/654499300.db2.gz XRBQQSBWJULOCI-UHFFFAOYSA-N 0 1 397.250 2.605 20 0 GFADMN COCCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000024307069 654543356 /nfs/dbraw/zinc/54/33/56/654543356.db2.gz FFHHRYKNTRCDFG-NSHDSACASA-N 0 1 382.511 2.861 20 0 GFADMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NOC)ccc2Cl)cc1 ZINC000046563026 654682466 /nfs/dbraw/zinc/68/24/66/654682466.db2.gz ROBFRLJGVHQUJZ-UHFFFAOYSA-N 0 1 384.841 2.831 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3cc(F)cc(Br)c3)cn2)CC1 ZINC000047073727 654690416 /nfs/dbraw/zinc/69/04/16/654690416.db2.gz IEJGKKUQOYTSOH-UHFFFAOYSA-N 0 1 393.260 2.987 20 0 GFADMN COc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000047433767 654694790 /nfs/dbraw/zinc/69/47/90/654694790.db2.gz JAJATINZMADOLF-CHWSQXEVSA-N 0 1 385.302 2.687 20 0 GFADMN CCN(CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000051688482 654727622 /nfs/dbraw/zinc/72/76/22/654727622.db2.gz JCBPLPZWLQVODF-UHFFFAOYSA-N 0 1 384.307 2.762 20 0 GFADMN CCN(CC)C(=O)CN1CCCN(Cc2cccc(Br)c2)CC1 ZINC000051707905 654727881 /nfs/dbraw/zinc/72/78/81/654727881.db2.gz STVPOUBJCWIMIO-UHFFFAOYSA-N 0 1 382.346 2.825 20 0 GFADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000122292841 654732602 /nfs/dbraw/zinc/73/26/02/654732602.db2.gz BKSKFMDEROUEJF-AWEZNQCLSA-N 0 1 388.339 2.762 20 0 GFADMN CC(C)c1cc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)n[nH]1 ZINC000052806241 654739687 /nfs/dbraw/zinc/73/96/87/654739687.db2.gz NUAMWKZIIXKXKA-UHFFFAOYSA-N 0 1 378.274 2.653 20 0 GFADMN CCN(CCC(=O)OC)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000122859854 654744932 /nfs/dbraw/zinc/74/49/32/654744932.db2.gz YXDVWJYXTSWFEM-UHFFFAOYSA-N 0 1 380.242 2.864 20 0 GFADMN CN(Cc1cnn(C)c1)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000053454517 654747203 /nfs/dbraw/zinc/74/72/03/654747203.db2.gz WJKJXQIPONKUFA-UHFFFAOYSA-N 0 1 376.873 2.609 20 0 GFADMN Cc1cc(CC(=O)Nc2nc(C)c(C3N=NC(=S)N3C3CC3)s2)n[nH]1 ZINC000123282528 654754789 /nfs/dbraw/zinc/75/47/89/654754789.db2.gz IPXUNOCIZNTFJZ-UHFFFAOYSA-N 0 1 375.483 2.546 20 0 GFADMN Cc1cncc(CNC(=O)c2n[nH]c3ccc(I)cc32)c1 ZINC000123820666 654764924 /nfs/dbraw/zinc/76/49/24/654764924.db2.gz WZKVYKDSTOBAQA-UHFFFAOYSA-N 0 1 392.200 2.801 20 0 GFADMN C[C@@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)c1nnc[nH]1 ZINC000123873864 654765466 /nfs/dbraw/zinc/76/54/66/654765466.db2.gz HTDJXRFPCPVEPZ-SECBINFHSA-N 0 1 388.225 2.536 20 0 GFADMN CC(C)n1cc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000266119162 654858278 /nfs/dbraw/zinc/85/82/78/654858278.db2.gz CZKGKILHGSHOOK-OAHLLOKOSA-N 0 1 382.555 2.716 20 0 GFADMN COc1cc(CNCCNS(=O)(=O)Cc2ccccc2)ccc1SC ZINC000063915962 654859622 /nfs/dbraw/zinc/85/96/22/654859622.db2.gz VLHZFIPIJNTRLH-UHFFFAOYSA-N 0 1 380.535 2.626 20 0 GFADMN CC(C)(C(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1cccc(Br)c1 ZINC000129507860 654864832 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COCc1nc([C@H]2CCCCN2CC(=O)NCc2ccc(Cl)s2)n[nH]1 ZINC000567523755 564375722 /nfs/dbraw/zinc/37/57/22/564375722.db2.gz MVILCRYZTOMIOO-GFCCVEGCSA-N 0 1 383.905 2.509 20 0 GFADMN CCn1nccc1CN(CCO)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000477425168 564376902 /nfs/dbraw/zinc/37/69/02/564376902.db2.gz MQWHNPSXAGXOMF-UHFFFAOYSA-N 0 1 379.873 2.643 20 0 GFADMN COCCN1CCN(Cc2cc(Br)cc(Br)c2)CC1 ZINC000567650916 564381146 /nfs/dbraw/zinc/38/11/46/564381146.db2.gz ZSEHMNZWLVWCEZ-UHFFFAOYSA-N 0 1 392.135 2.976 20 0 GFADMN CCCCS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000511894247 564384694 /nfs/dbraw/zinc/38/46/94/564384694.db2.gz RSSWPYJQDBDAAA-UHFFFAOYSA-N 0 1 377.348 2.943 20 0 GFADMN CCN1CCN(CC(C)(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000452059356 564387456 /nfs/dbraw/zinc/38/74/56/564387456.db2.gz OPTPHBZIYYPRHI-UHFFFAOYSA-N 0 1 394.368 2.688 20 0 GFADMN O=S(=O)(N[C@@H](CO)c1cccc(Cl)c1F)c1c(F)cc(F)cc1F ZINC000544596761 564389309 /nfs/dbraw/zinc/38/93/09/564389309.db2.gz XCMHVKSOEPZQRN-LBPRGKRZSA-N 0 1 383.750 2.908 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(F)c2I)CCN1C ZINC000544607991 564389526 /nfs/dbraw/zinc/38/95/26/564389526.db2.gz JKXXLXVVAYKSTC-NXEZZACHSA-N 0 1 391.228 2.987 20 0 GFADMN CCS(=O)(=O)C[C@H](C)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477864204 564390034 /nfs/dbraw/zinc/39/00/34/564390034.db2.gz TWJJZDSICBXCJN-LBPRGKRZSA-N 0 1 382.507 2.510 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1Cl ZINC000452105185 564393004 /nfs/dbraw/zinc/39/30/04/564393004.db2.gz NJTFPNNNXQMKJC-LBPRGKRZSA-N 0 1 391.896 2.541 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000567905745 564395946 /nfs/dbraw/zinc/39/59/46/564395946.db2.gz PIJFSCHPYSQBQZ-KRWDZBQOSA-N 0 1 386.286 2.813 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](CCO)c2ccccc2Br)C1 ZINC000512350202 564399060 /nfs/dbraw/zinc/39/90/60/564399060.db2.gz JOIHGBYXXHQNPV-ZENOOKHLSA-N 0 1 390.343 2.818 20 0 GFADMN O=C(c1[nH]nc2ccccc21)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000478572944 564408171 /nfs/dbraw/zinc/40/81/71/564408171.db2.gz AKWUKOMOBFZCPZ-INIZCTEOSA-N 0 1 399.248 2.639 20 0 GFADMN O=C(NC[C@H]1CCCCN1CCO)c1cc2cc(Br)ccc2o1 ZINC000452391903 564412783 /nfs/dbraw/zinc/41/27/83/564412783.db2.gz QRLNUGOXMCERSZ-CQSZACIVSA-N 0 1 381.270 2.772 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000568331674 564413687 /nfs/dbraw/zinc/41/36/87/564413687.db2.gz LPQBNGGOVDFPHS-HZPDHXFCSA-N 0 1 378.897 2.570 20 0 GFADMN CN(CCOc1ccc(Cl)cc1)C(=O)CN1CC[C@H](COC(F)F)C1 ZINC000512851330 564414089 /nfs/dbraw/zinc/41/40/89/564414089.db2.gz NMIFLMILJZVUIU-ZDUSSCGKSA-N 0 1 376.831 2.738 20 0 GFADMN O=S(=O)([N-]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)sc1Cl ZINC000568390944 564416571 /nfs/dbraw/zinc/41/65/71/564416571.db2.gz SQLXHONZMQVYCI-QMMMGPOBSA-N 0 1 387.752 2.975 20 0 GFADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cn(C)nn2)C1 ZINC000512982769 564416658 /nfs/dbraw/zinc/41/66/58/564416658.db2.gz IHUXGDXGNMIBFO-HNNXBMFYSA-N 0 1 378.318 2.953 20 0 GFADMN O=C1NCC[C@@H]1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000568408260 564417318 /nfs/dbraw/zinc/41/73/18/564417318.db2.gz ISSWJVXSHXOCDS-UKRRQHHQSA-N 0 1 378.822 2.634 20 0 GFADMN CO[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000513265571 564426110 /nfs/dbraw/zinc/42/61/10/564426110.db2.gz GKDJFMUKSJHPPQ-WDEREUQCSA-N 0 1 376.238 2.585 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(O)c(OC)cc2Br)[C@@]12CCCO2 ZINC000545550194 564427281 /nfs/dbraw/zinc/42/72/81/564427281.db2.gz VCFDCGRHUNMMQI-BBWFWOEESA-N 0 1 386.286 2.980 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1Cl ZINC000479178801 564429529 /nfs/dbraw/zinc/42/95/29/564429529.db2.gz CPQNGCTYHQPCPY-QWHCGFSZSA-N 0 1 387.933 2.840 20 0 GFADMN CCc1nc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)n[nH]1 ZINC000513598772 564433176 /nfs/dbraw/zinc/43/31/76/564433176.db2.gz BFXTXUGTCDDDNR-TVQRCGJNSA-N 0 1 383.905 2.714 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000479310136 564435260 /nfs/dbraw/zinc/43/52/60/564435260.db2.gz DTMOMLVDXANIMV-UHFFFAOYSA-N 0 1 382.302 2.552 20 0 GFADMN O=C(N[C@H]([C@@H](CO)C1CC1)C1CC1)c1n[nH]c2ccc(Br)cc21 ZINC000452926194 564437936 /nfs/dbraw/zinc/43/79/36/564437936.db2.gz KURBKYWFDIYEML-ZFWWWQNUSA-N 0 1 378.270 2.852 20 0 GFADMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479480336 564441438 /nfs/dbraw/zinc/44/14/38/564441438.db2.gz LRRSXRVQGDGCHA-UHFFFAOYSA-N 0 1 378.431 2.892 20 0 GFADMN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)OC(C)(C)C ZINC000546069112 564443091 /nfs/dbraw/zinc/44/30/91/564443091.db2.gz LMLFZTLSZISYCI-NSHDSACASA-N 0 1 382.276 2.687 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453040440 564445124 /nfs/dbraw/zinc/44/51/24/564445124.db2.gz SXTHRURSHSEJLL-SWLSCSKDSA-N 0 1 395.297 2.583 20 0 GFADMN C[C@H]1c2cccc(Br)c2CCN1CCC(=O)N1CCN(C)CC1 ZINC000514143046 564447014 /nfs/dbraw/zinc/44/70/14/564447014.db2.gz ZRZPGMTXAFBGOI-AWEZNQCLSA-N 0 1 380.330 2.532 20 0 GFADMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccsc1 ZINC000453157730 564448433 /nfs/dbraw/zinc/44/84/33/564448433.db2.gz JCGKXCRSVAOXBI-LRDDRELGSA-N 0 1 381.523 2.724 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)NCc1cscc1C)c1ccsc1 ZINC000569096400 564449005 /nfs/dbraw/zinc/44/90/05/564449005.db2.gz YNWQUVQQZOOYKI-MRXNPFEDSA-N 0 1 379.551 2.934 20 0 GFADMN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(F)c(I)c1 ZINC000453233960 564449508 /nfs/dbraw/zinc/44/95/08/564449508.db2.gz XZVHKZCEGVPEBR-VIFPVBQESA-N 0 1 397.253 2.658 20 0 GFADMN COC[C@@](C)(O)CCN[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262229 564450295 /nfs/dbraw/zinc/45/02/95/564450295.db2.gz SNMWWEASNLJCDQ-PXAZEXFGSA-N 0 1 397.317 2.776 20 0 GFADMN Cc1cc(CN[C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)ccn1 ZINC000453279027 564451644 /nfs/dbraw/zinc/45/16/44/564451644.db2.gz DOANXXFXTMQLBS-NSHDSACASA-N 0 1 384.299 2.651 20 0 GFADMN CC[C@H](CNS(C)(=O)=O)N[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000453296445 564453193 /nfs/dbraw/zinc/45/31/93/564453193.db2.gz YPOVXFSTASTIAS-IUODEOHRSA-N 0 1 393.322 2.957 20 0 GFADMN COc1cc(NS(=O)(=O)Cc2ccccc2F)ncc1Br ZINC000546563542 564459417 /nfs/dbraw/zinc/45/94/17/564459417.db2.gz KHWODFUVLJXKMG-UHFFFAOYSA-N 0 1 375.219 2.934 20 0 GFADMN CN(CC[C@H]1CCNC1=O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000569429695 564462572 /nfs/dbraw/zinc/46/25/72/564462572.db2.gz DXHZABSCOUQUEW-SNVBAGLBSA-N 0 1 377.794 2.755 20 0 GFADMN COc1cc2nccc(N3CCS(=O)(=O)C[C@H](C)C3)c2cc1Br ZINC000514933278 564462824 /nfs/dbraw/zinc/46/28/24/564462824.db2.gz YYNWXYGZGWFJGF-LLVKDONJSA-N 0 1 399.310 2.877 20 0 GFADMN COC(=O)c1cc(NS(=O)(=O)c2c[nH]c3ncccc32)cc(Cl)c1F ZINC000480213999 564464316 /nfs/dbraw/zinc/46/43/16/564464316.db2.gz ASXJEVVNQPGOHC-UHFFFAOYSA-N 0 1 383.788 2.943 20 0 GFADMN CC(C)[C@](C)(O)CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240114 564466090 /nfs/dbraw/zinc/46/60/90/564466090.db2.gz JLFCCYZMCUAWTD-DZGCQCFKSA-N 0 1 376.316 2.664 20 0 GFADMN Clc1ccc(-n2cc(CNC3(c4nn[nH]n4)CCCC3)nn2)cc1Cl ZINC000546741962 564466587 /nfs/dbraw/zinc/46/65/87/564466587.db2.gz SPMPXMUBPGTHHF-UHFFFAOYSA-N 0 1 379.255 2.646 20 0 GFADMN CO[C@@H]1C[C@@H](CC(=O)[O-])[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000515065314 564467979 /nfs/dbraw/zinc/46/79/79/564467979.db2.gz DQMMZBRAIBBRSC-GXTWGEPZSA-N 0 1 376.222 2.531 20 0 GFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1cncnc1 ZINC000546865828 564471894 /nfs/dbraw/zinc/47/18/94/564471894.db2.gz GPTYDWIDSBHIMT-UHFFFAOYSA-N 0 1 378.410 2.730 20 0 GFADMN COCCOc1ccc(Br)cc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000480651667 564480842 /nfs/dbraw/zinc/48/08/42/564480842.db2.gz JGGGLYUWZWEYCP-VIFPVBQESA-N 0 1 398.261 2.784 20 0 GFADMN CCN(CC)CCS(=O)(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000569891505 564481744 /nfs/dbraw/zinc/48/17/44/564481744.db2.gz KLIDNRDYCBCMKP-UHFFFAOYSA-N 0 1 389.359 2.787 20 0 GFADMN CC[NH+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000480725240 564485032 /nfs/dbraw/zinc/48/50/32/564485032.db2.gz CYLJQGCYFPIDEB-SECBINFHSA-N 0 1 385.274 2.736 20 0 GFADMN C[N@@H+](CC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCSC1 ZINC000480731968 564485047 /nfs/dbraw/zinc/48/50/47/564485047.db2.gz AHXGFDZSJWAMJS-TZMCWYRMSA-N 0 1 385.327 2.826 20 0 GFADMN CN(CC(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCSC1 ZINC000480731968 564485051 /nfs/dbraw/zinc/48/50/51/564485051.db2.gz AHXGFDZSJWAMJS-TZMCWYRMSA-N 0 1 385.327 2.826 20 0 GFADMN CCC[C@H](NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12)c1nn[nH]n1 ZINC000547393136 564487215 /nfs/dbraw/zinc/48/72/15/564487215.db2.gz IVNKSAVMAPYLLJ-JKIFEVAISA-N 0 1 390.285 2.824 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000570133411 564492608 /nfs/dbraw/zinc/49/26/08/564492608.db2.gz XELMOWFTKANBBC-ZDUSSCGKSA-N 0 1 378.416 2.573 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cs1 ZINC000480898637 564494666 /nfs/dbraw/zinc/49/46/66/564494666.db2.gz NNJPASDGSAUBIE-LRDDRELGSA-N 0 1 382.507 2.504 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)NCc3cc(Cl)sc3Cl)CCO2)n[nH]1 ZINC000570184671 564495023 /nfs/dbraw/zinc/49/50/23/564495023.db2.gz KVDGBZLENFGFOM-SECBINFHSA-N 0 1 376.269 2.765 20 0 GFADMN Cc1nc([C@@H]2CN(C(=O)NCc3cc(Cl)sc3Cl)CCO2)n[nH]1 ZINC000570184678 564495287 /nfs/dbraw/zinc/49/52/87/564495287.db2.gz KVDGBZLENFGFOM-VIFPVBQESA-N 0 1 376.269 2.765 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000516590505 564505763 /nfs/dbraw/zinc/50/57/63/564505763.db2.gz MSRCJPWZIQBDKD-OAHLLOKOSA-N 0 1 387.237 2.991 20 0 GFADMN Fc1cnc(N2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)nc1 ZINC000481209962 564505885 /nfs/dbraw/zinc/50/58/85/564505885.db2.gz VHZXPMLKBLMNIJ-UHFFFAOYSA-N 0 1 391.248 2.577 20 0 GFADMN Cc1cc2[nH]ncc2cc1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000481294680 564509180 /nfs/dbraw/zinc/50/91/80/564509180.db2.gz LUQONYXLILZXOS-UHFFFAOYSA-N 0 1 391.225 2.938 20 0 GFADMN OC[C@@H](CNCc1cn(-c2ccc(Cl)cc2Cl)nn1)c1cccnc1 ZINC000516679650 564509611 /nfs/dbraw/zinc/50/96/11/564509611.db2.gz XUHWYIFFXSMBDW-CYBMUJFWSA-N 0 1 378.263 2.835 20 0 GFADMN O=C([O-])Cn1cc(CC[N@H+]2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000570522256 564509830 /nfs/dbraw/zinc/50/98/30/564509830.db2.gz YLJGAWRRNLDNHQ-HNNXBMFYSA-N 0 1 379.258 2.505 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570516363 564510056 /nfs/dbraw/zinc/51/00/56/564510056.db2.gz AMJRKCQAPIRJSS-LBPRGKRZSA-N 0 1 380.432 2.970 20 0 GFADMN O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000570553125 564511698 /nfs/dbraw/zinc/51/16/98/564511698.db2.gz ILNDTUANDYPYRU-JTQLQIEISA-N 0 1 384.205 2.626 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@H](CO)CCC(C)(C)C)sc1Br ZINC000481471905 564513321 /nfs/dbraw/zinc/51/33/21/564513321.db2.gz CARUREMOVCCIET-VIFPVBQESA-N 0 1 385.349 2.680 20 0 GFADMN C[C@](N)(C(=O)NC[C@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680254 564516863 /nfs/dbraw/zinc/51/68/63/564516863.db2.gz LEUPRTOIVHMJSR-DNVCBOLYSA-N 0 1 391.309 2.590 20 0 GFADMN O=C(CNCc1ccc(Br)cc1C(F)(F)F)NCC(F)F ZINC000481821266 564525504 /nfs/dbraw/zinc/52/55/04/564525504.db2.gz 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CC(C)(C)c1csc(CC2CCN(CCN3CCCS3(=O)=O)CC2)n1 ZINC000639811541 565263406 /nfs/dbraw/zinc/26/34/06/565263406.db2.gz ASIPDGYCEJQMQB-UHFFFAOYSA-N 0 1 385.599 2.731 20 0 GFADMN COCc1nc(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000617934069 565267841 /nfs/dbraw/zinc/26/78/41/565267841.db2.gz GNJGMEMUSYLGAT-UHFFFAOYSA-N 0 1 379.631 2.607 20 0 GFADMN COCc1nnc(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000617934069 565267845 /nfs/dbraw/zinc/26/78/45/565267845.db2.gz GNJGMEMUSYLGAT-UHFFFAOYSA-N 0 1 379.631 2.607 20 0 GFADMN CS[C@@H]1CN(C(=O)c2ncc(Br)s2)C[C@@H]1N1CCCC1 ZINC000618020659 565271736 /nfs/dbraw/zinc/27/17/36/565271736.db2.gz SMIUJIJYHMDBQA-VHSXEESVSA-N 0 1 376.345 2.557 20 0 GFADMN COc1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)ncc1Br ZINC000639967893 565272065 /nfs/dbraw/zinc/27/20/65/565272065.db2.gz PXCQKZHZGDGSHS-UHFFFAOYSA-N 0 1 380.246 2.987 20 0 GFADMN CC(C)(C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000592411671 565275610 /nfs/dbraw/zinc/27/56/10/565275610.db2.gz ZZRRUYLGJFTCHB-IAGOWNOFSA-N 0 1 395.341 2.784 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000592499096 565279726 /nfs/dbraw/zinc/27/97/26/565279726.db2.gz CRSSMJQWHLYHEF-AWEZNQCLSA-N 0 1 397.361 2.619 20 0 GFADMN COC(=O)[C@H]1CNCCCN1C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550021 565282204 /nfs/dbraw/zinc/28/22/04/565282204.db2.gz CRDQZLIZMRHABQ-GXFFZTMASA-N 0 1 391.320 2.838 20 0 GFADMN C[C@@H](NC(=O)CN[C@@H]1CCCn2nccc21)c1ccc(Br)cc1 ZINC000640217784 565288002 /nfs/dbraw/zinc/28/80/02/565288002.db2.gz QEUWKGFKSUXFNE-IUODEOHRSA-N 0 1 377.286 2.948 20 0 GFADMN C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000660710147 565290661 /nfs/dbraw/zinc/29/06/61/565290661.db2.gz PCYLCWDVPDPFND-QWHCGFSZSA-N 0 1 384.933 2.881 20 0 GFADMN O=C(Nc1nn(CC(F)(F)F)cc1Cl)N1CCN(C2CCCC2)CC1 ZINC000640292946 565293823 /nfs/dbraw/zinc/29/38/23/565293823.db2.gz QNOJNYJOYAOEJU-UHFFFAOYSA-N 0 1 379.814 3.191 20 0 GFADMN CN1CC(=O)N(CCN2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000660836779 565294815 /nfs/dbraw/zinc/29/48/15/565294815.db2.gz KPACCHBDHGSIAD-INIZCTEOSA-N 0 1 394.313 2.740 20 0 GFADMN CN(CC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000618365006 565295946 /nfs/dbraw/zinc/29/59/46/565295946.db2.gz SWMPXBOZWKEEMV-CVEARBPZSA-N 0 1 399.354 2.786 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1n[nH]c(=O)o1 ZINC000660851049 565296464 /nfs/dbraw/zinc/29/64/64/565296464.db2.gz VBAXYEPVEFHPQV-ZETCQYMHSA-N 0 1 378.738 2.906 20 0 GFADMN Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)CN2CCN(C)CC2)c1Cl ZINC000592822417 565298469 /nfs/dbraw/zinc/29/84/69/565298469.db2.gz HUCPOFCYQBITRN-LBPRGKRZSA-N 0 1 394.368 2.524 20 0 GFADMN CC(C)(C)CC(=O)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000592832548 565299402 /nfs/dbraw/zinc/29/94/02/565299402.db2.gz IKLKCRANNLSJKN-UHFFFAOYSA-N 0 1 383.286 2.875 20 0 GFADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1nnc2n1CCCCC2 ZINC000592829146 565299559 /nfs/dbraw/zinc/29/95/59/565299559.db2.gz YKHBIJUMDKGSTN-JTQLQIEISA-N 0 1 379.258 2.964 20 0 GFADMN COC(=O)[C@H]1CNCCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000592962433 565305555 /nfs/dbraw/zinc/30/55/55/565305555.db2.gz FVLXZXIMRMHNJJ-SNVBAGLBSA-N 0 1 385.898 2.502 20 0 GFADMN CCN1[C@H](C)CN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C ZINC000640609830 565320165 /nfs/dbraw/zinc/32/01/65/565320165.db2.gz XTIPOIBVLJSUOX-GFOFROLCSA-N 0 1 396.329 2.863 20 0 GFADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000593333327 565327887 /nfs/dbraw/zinc/32/78/87/565327887.db2.gz UGBRJNHBVCFNLX-NSHDSACASA-N 0 1 393.221 2.603 20 0 GFADMN C[C@@H](C(=O)NC(C)(C)C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640882936 565334289 /nfs/dbraw/zinc/33/42/89/565334289.db2.gz WLBWXFRTRYHTCC-IINYFYTJSA-N 0 1 380.290 2.564 20 0 GFADMN CCc1noc([C@H](C)n2cc([C@@H](N)c3ccc(Br)cc3)nn2)n1 ZINC000640933080 565337358 /nfs/dbraw/zinc/33/73/58/565337358.db2.gz CNIRWBSNMMUTEQ-XPTSAGLGSA-N 0 1 377.246 2.643 20 0 GFADMN CCN(CC)C(=O)[C@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640919306 565337829 /nfs/dbraw/zinc/33/78/29/565337829.db2.gz CQSLJRVIAIYKHT-XHDPSFHLSA-N 0 1 380.290 2.518 20 0 GFADMN N[C@@H](c1cn(CCO[C@@H]2CCCCO2)nn1)c1ccc(Br)cc1 ZINC000640940647 565338425 /nfs/dbraw/zinc/33/84/25/565338425.db2.gz FIOBVWSHEJIMPV-HZPDHXFCSA-N 0 1 381.274 2.632 20 0 GFADMN CN(C)C(=O)N(C)[C@@H]1CCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000662010617 565345352 /nfs/dbraw/zinc/34/53/52/565345352.db2.gz GOKYHXKYSCGOBM-CQSZACIVSA-N 0 1 388.281 2.655 20 0 GFADMN Cc1cc(Cn2cc(C[NH+]3CCC(C(=O)[O-])CC3)nn2)ccc1Br ZINC000641129650 565350048 /nfs/dbraw/zinc/35/00/48/565350048.db2.gz ORWPGVIWFFIFSW-UHFFFAOYSA-N 0 1 393.285 2.694 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000662171987 565353088 /nfs/dbraw/zinc/35/30/88/565353088.db2.gz WFSZDOSNIXEUPT-NXEZZACHSA-N 0 1 380.235 2.746 20 0 GFADMN CC(C)(C)C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)CC(=O)[O-] ZINC000662223141 565355115 /nfs/dbraw/zinc/35/51/15/565355115.db2.gz MCNVZKHQCUJUJU-UHFFFAOYSA-N 0 1 392.315 2.656 20 0 GFADMN CC[C@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)[C@H](C)CO1 ZINC000593805084 565361367 /nfs/dbraw/zinc/36/13/67/565361367.db2.gz BEIWDKTUUJVCSK-KOLCDFICSA-N 0 1 399.232 2.807 20 0 GFADMN CN(CCOc1ccc(Br)cc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662445072 565368542 /nfs/dbraw/zinc/36/85/42/565368542.db2.gz NMTIODZQSXSCRX-UHFFFAOYSA-N 0 1 382.258 2.782 20 0 GFADMN COC(=O)c1cc(CNCCNC(=O)c2cccc(Br)c2)c(C)o1 ZINC000594608542 565402836 /nfs/dbraw/zinc/40/28/36/565402836.db2.gz DIAUYBKHTWWQBF-UHFFFAOYSA-N 0 1 395.253 2.657 20 0 GFADMN COC(=O)c1ncc(NS(=O)(=O)C[C@H](OC)C2CCCCC2)cc1Cl ZINC000594726503 565411903 /nfs/dbraw/zinc/41/19/03/565411903.db2.gz MWTOXAQYEYLAOQ-AWEZNQCLSA-N 0 1 390.889 2.859 20 0 GFADMN CCn1ncc(C)c1NS(=O)(=O)c1ccc(I)cc1 ZINC000594730777 565412941 /nfs/dbraw/zinc/41/29/41/565412941.db2.gz ORKFDHATXYSQMJ-UHFFFAOYSA-N 0 1 391.234 2.617 20 0 GFADMN Cc1ccc(Br)cc1S(=O)(=O)NCCN1CCC[C@H](C)C1 ZINC000642523545 565413785 /nfs/dbraw/zinc/41/37/85/565413785.db2.gz NGMYNKCYEMDZBW-LBPRGKRZSA-N 0 1 375.332 2.768 20 0 GFADMN CN(C(=O)CCNCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000663357735 565415512 /nfs/dbraw/zinc/41/55/12/565415512.db2.gz WLHRLDWBTKUGGF-UHFFFAOYSA-N 0 1 380.897 2.756 20 0 GFADMN C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1cccc(Br)c1 ZINC000643165772 565422368 /nfs/dbraw/zinc/42/23/68/565422368.db2.gz CYXVAVHKGYMVGK-IAQYHMDHSA-N 0 1 386.253 2.972 20 0 GFADMN C[C@@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)c1cccc(Br)c1 ZINC000643165772 565422371 /nfs/dbraw/zinc/42/23/71/565422371.db2.gz CYXVAVHKGYMVGK-IAQYHMDHSA-N 0 1 386.253 2.972 20 0 GFADMN O=C(Cn1cc(C2CC2)cn1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000621413788 565424672 /nfs/dbraw/zinc/42/46/72/565424672.db2.gz VKEUHFGOWYWWFC-UHFFFAOYSA-N 0 1 387.241 2.947 20 0 GFADMN CN(C)C(=O)CCN1CCN(c2ncc(Br)c3ccsc32)CC1 ZINC000663719033 565432763 /nfs/dbraw/zinc/43/27/63/565432763.db2.gz IXTPROVAWXSCIL-UHFFFAOYSA-N 0 1 397.342 2.659 20 0 GFADMN C[S@](=O)[C@H]1CCC[C@@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964243 565438879 /nfs/dbraw/zinc/43/88/79/565438879.db2.gz CKSVIWRZBLPDPE-XTAIUZINSA-N 0 1 397.342 2.809 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)c1cc(Br)cc2c1OCCO2 ZINC000621819012 565443962 /nfs/dbraw/zinc/44/39/62/565443962.db2.gz CBCXLVRIMXJCJW-UHFFFAOYSA-N 0 1 380.242 2.614 20 0 GFADMN CC12CC(C1)CN2C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000664201454 565455309 /nfs/dbraw/zinc/45/53/09/565455309.db2.gz KNPNHRKWWQJGIC-UHFFFAOYSA-N 0 1 376.258 2.928 20 0 GFADMN CC12CC(C1)CN2C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000664201454 565455312 /nfs/dbraw/zinc/45/53/12/565455312.db2.gz KNPNHRKWWQJGIC-UHFFFAOYSA-N 0 1 376.258 2.928 20 0 GFADMN CCCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000595387332 565471677 /nfs/dbraw/zinc/47/16/77/565471677.db2.gz KSUGWOANAPEUBY-LBPRGKRZSA-N 0 1 381.885 2.769 20 0 GFADMN O=C(C[C@]1(C(=O)[O-])CCSC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000622602698 565472310 /nfs/dbraw/zinc/47/23/10/565472310.db2.gz YBRCAPXEIIIXPP-RDTXWAMCSA-N 0 1 382.551 2.674 20 0 GFADMN CCOC(=O)CN(CCc1c[nH]nn1)[C@@H](C)c1cccc(Br)c1 ZINC000595396583 565472561 /nfs/dbraw/zinc/47/25/61/565472561.db2.gz NGQCCCUAIZWCQD-LBPRGKRZSA-N 0 1 381.274 2.736 20 0 GFADMN O=C(CCc1cccc(Br)c1)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000622612392 565473872 /nfs/dbraw/zinc/47/38/72/565473872.db2.gz VRMBTGCZBOQISV-INIZCTEOSA-N 0 1 386.253 2.801 20 0 GFADMN CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000622773937 565475058 /nfs/dbraw/zinc/47/50/58/565475058.db2.gz OUZHPPSORNJBRS-FVMDXXJSSA-N 0 1 377.242 2.988 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)CN1C ZINC000622889394 565479992 /nfs/dbraw/zinc/47/99/92/565479992.db2.gz JDKHCBCCDGGDRZ-TUAOUCFPSA-N 0 1 383.286 2.773 20 0 GFADMN Cn1nc(CNC[C@@H](O)COc2cccc(Br)c2)c2ccccc21 ZINC000644622983 565485130 /nfs/dbraw/zinc/48/51/30/565485130.db2.gz UDEZXOHZDRTNOB-CQSZACIVSA-N 0 1 390.281 2.865 20 0 GFADMN C[C@H]1C[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)c2ccsc2S1(=O)=O ZINC000664934610 565485789 /nfs/dbraw/zinc/48/57/89/565485789.db2.gz FUCRTQHSJOUGGX-OBJOEFQTSA-N 0 1 385.555 2.527 20 0 GFADMN C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)N(C)C ZINC000623049719 565492847 /nfs/dbraw/zinc/49/28/47/565492847.db2.gz UEMOPBRRBKPJBK-LBPRGKRZSA-N 0 1 397.317 2.512 20 0 GFADMN COc1cc2nccc(NCC(C)(C)S(C)(=O)=O)c2cc1Br ZINC000644873619 565500406 /nfs/dbraw/zinc/50/04/06/565500406.db2.gz HPKIMMVOQJWATO-UHFFFAOYSA-N 0 1 387.299 2.663 20 0 GFADMN CN(C)[C@@H](CNC(=O)NC[C@H](n1cccn1)C(F)(F)F)c1ccsc1 ZINC000623409269 565509056 /nfs/dbraw/zinc/50/90/56/565509056.db2.gz WPHJQWCKEYHZAZ-STQMWFEESA-N 0 1 375.420 2.650 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000645094012 565512062 /nfs/dbraw/zinc/51/20/62/565512062.db2.gz NSCUGTUDINSORI-NSHDSACASA-N 0 1 397.375 2.823 20 0 GFADMN COc1ccccc1OCCNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000645189056 565515572 /nfs/dbraw/zinc/51/55/72/565515572.db2.gz JGYLMGZCMBBHCN-GOSISDBHSA-N 0 1 393.281 2.827 20 0 GFADMN C[C@](N)(C(=O)NCCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000645219827 565518109 /nfs/dbraw/zinc/51/81/09/565518109.db2.gz WMGDTNLZDJFEGV-GOSISDBHSA-N 0 1 391.265 2.711 20 0 GFADMN COCc1nc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)n[nH]1 ZINC000666121431 565524396 /nfs/dbraw/zinc/52/43/96/565524396.db2.gz KOQHFGDMPONDKE-UHFFFAOYSA-N 0 1 396.289 2.834 20 0 GFADMN COCc1nnc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)[nH]1 ZINC000666121431 565524402 /nfs/dbraw/zinc/52/44/02/565524402.db2.gz KOQHFGDMPONDKE-UHFFFAOYSA-N 0 1 396.289 2.834 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000596821030 565536731 /nfs/dbraw/zinc/53/67/31/565536731.db2.gz XFDKOUXQWJSQDC-HNNXBMFYSA-N 0 1 385.339 2.915 20 0 GFADMN CC(C)(CO)N1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623974580 565537797 /nfs/dbraw/zinc/53/77/97/565537797.db2.gz IXXXIJAEJJELMA-UHFFFAOYSA-N 0 1 391.313 2.799 20 0 GFADMN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624222927 565549011 /nfs/dbraw/zinc/54/90/11/565549011.db2.gz JXCVZDOVKSGGEG-LLHLLMPMSA-N 0 1 379.309 2.859 20 0 GFADMN Cc1ccc(Br)c(C)c1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000645717339 565555291 /nfs/dbraw/zinc/55/52/91/565555291.db2.gz ILKJOKYIURUKND-OAHLLOKOSA-N 0 1 381.314 2.860 20 0 GFADMN CN1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)[C@@H]2C1 ZINC000645723289 565555475 /nfs/dbraw/zinc/55/54/75/565555475.db2.gz JYSUAWVPVXFBIM-GXSJLCMTSA-N 0 1 384.807 2.563 20 0 GFADMN CC[C@H]1CCc2nc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)sc2C1 ZINC000624422373 565556724 /nfs/dbraw/zinc/55/67/24/565556724.db2.gz QNBZMMPQLREDNQ-JTQLQIEISA-N 0 1 380.495 2.677 20 0 GFADMN COc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc(Br)c1OC(F)F ZINC000666945608 565563946 /nfs/dbraw/zinc/56/39/46/565563946.db2.gz ZZPRXIZFOHWZSZ-UWVGGRQHSA-N 0 1 383.208 2.849 20 0 GFADMN O=C(CCN1CCN2CC(F)(F)C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000645937294 565577177 /nfs/dbraw/zinc/57/71/77/565577177.db2.gz JBTDWAZGHYJJAW-AWEZNQCLSA-N 0 1 388.256 2.803 20 0 GFADMN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000624952589 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OMATUKSPHFFLFM-CHWSQXEVSA-N 0 1 389.477 2.727 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC3CCN(C(=O)[O-])CC3)CC2)c1 ZINC000739946070 602363191 /nfs/dbraw/zinc/36/31/91/602363191.db2.gz RBOMGAGYNVTWFO-INIZCTEOSA-N 0 1 389.496 2.681 20 0 GFADMN O=C([O-])NC1CCC(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000740551822 602368703 /nfs/dbraw/zinc/36/87/03/602368703.db2.gz WKNYWGQQVSNCLL-UHFFFAOYSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])NC1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000740551822 602368707 /nfs/dbraw/zinc/36/87/07/602368707.db2.gz WKNYWGQQVSNCLL-UHFFFAOYSA-N 0 1 377.460 2.686 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000830000847 602384383 /nfs/dbraw/zinc/38/43/83/602384383.db2.gz MXSLRNYUASRUOC-GUYCJALGSA-N 0 1 381.448 2.782 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738636348 602384637 /nfs/dbraw/zinc/38/46/37/602384637.db2.gz DOSWFHKQKHWLTI-GFCCVEGCSA-N 0 1 385.411 2.937 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000739111542 602398518 /nfs/dbraw/zinc/39/85/18/602398518.db2.gz QIGGJBKDPBATDV-RHSMWYFYSA-N 0 1 377.510 2.588 20 0 GFADMN C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(CNC(=O)[O-])CCCC3)cc2)C[C@H](C)O1 ZINC000739187713 602442252 /nfs/dbraw/zinc/44/22/52/602442252.db2.gz WXMNRQCKCSKCBN-HOTGVXAUSA-N 0 1 389.496 2.606 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000740510266 602452488 /nfs/dbraw/zinc/45/24/88/602452488.db2.gz GAJRINGCTVSBHZ-ZDUSSCGKSA-N 0 1 383.851 2.627 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)C1)C(=O)[O-] ZINC000739658760 602528189 /nfs/dbraw/zinc/52/81/89/602528189.db2.gz BGRNQFPAFSRFOR-MRXNPFEDSA-N 0 1 391.487 2.685 20 0 GFADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738603296 602529579 /nfs/dbraw/zinc/52/95/79/602529579.db2.gz PJSKGRNFGXZNET-OLZOCXBDSA-N 0 1 385.867 2.758 20 0 GFADMN C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H](NC(=O)[O-])C4)nc(N)c32)C1 ZINC000737752867 602549757 /nfs/dbraw/zinc/54/97/57/602549757.db2.gz FJMNHQHRAIGHLU-RYUDHWBXSA-N 0 1 389.525 2.673 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1 ZINC000739004603 602575321 /nfs/dbraw/zinc/57/53/21/602575321.db2.gz LOYLSXBYDSGWMA-CVEARBPZSA-N 0 1 376.501 2.585 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000740432924 602674368 /nfs/dbraw/zinc/67/43/68/602674368.db2.gz MGSLDVGPLPHZLT-VQTJNVASSA-N 0 1 381.476 2.745 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(NC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000740079597 602686387 /nfs/dbraw/zinc/68/63/87/602686387.db2.gz JHZUROCRGWBXKS-KRWDZBQOSA-N 0 1 383.452 2.511 20 0 GFADMN O=C([O-])N1CC[C@H](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000740499910 602720494 /nfs/dbraw/zinc/72/04/94/602720494.db2.gz HHCSKPOBAKYSOG-SFHVURJKSA-N 0 1 380.533 2.674 20 0 GFADMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCCN(C(=O)[O-])CC1 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2.631 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000739683100 603254719 /nfs/dbraw/zinc/25/47/19/603254719.db2.gz ZGAFUKBBVAYCDI-UHFFFAOYSA-N 0 1 378.654 2.631 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000739011010 603273300 /nfs/dbraw/zinc/27/33/00/603273300.db2.gz YUMGXTWAYPBYMM-VQIMIIECSA-N 0 1 388.512 2.729 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000738006355 603278246 /nfs/dbraw/zinc/27/82/46/603278246.db2.gz PJDAQUFNZJUGKU-UHFFFAOYSA-N 0 1 385.464 2.918 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000738006355 603278248 /nfs/dbraw/zinc/27/82/48/603278248.db2.gz PJDAQUFNZJUGKU-UHFFFAOYSA-N 0 1 385.464 2.918 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000832683995 603280296 /nfs/dbraw/zinc/28/02/96/603280296.db2.gz MFKWBOQNUXFAOY-UHFFFAOYSA-N 0 1 375.400 2.534 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000832683995 603280299 /nfs/dbraw/zinc/28/02/99/603280299.db2.gz MFKWBOQNUXFAOY-UHFFFAOYSA-N 0 1 375.400 2.534 20 0 GFADMN C[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1ccc(F)cc1Cl ZINC000738976309 603370164 /nfs/dbraw/zinc/37/01/64/603370164.db2.gz VJYFWLFUSPAITE-LBPRGKRZSA-N 0 1 386.855 2.525 20 0 GFADMN Cc1csc([C@H]2CCC[N@H+]2C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC000830661100 603403653 /nfs/dbraw/zinc/40/36/53/603403653.db2.gz QUOPTADSWAXVEH-BBWFWOEESA-N 0 1 375.494 2.828 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262983 603496657 /nfs/dbraw/zinc/49/66/57/603496657.db2.gz ZHTJTQSQRAYHLB-LPHOPBHVSA-N 0 1 387.505 2.946 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262983 603496659 /nfs/dbraw/zinc/49/66/59/603496659.db2.gz ZHTJTQSQRAYHLB-LPHOPBHVSA-N 0 1 387.505 2.946 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000826182444 607640446 /nfs/dbraw/zinc/64/04/46/607640446.db2.gz JVXABXZQZZNKQQ-AWEZNQCLSA-N 0 1 387.484 2.819 20 0 GFADMN Cc1ccc(NC(=O)C(C)(C)CNC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000830352486 603645077 /nfs/dbraw/zinc/64/50/77/603645077.db2.gz GNSLORNHJYMRLM-UHFFFAOYSA-N 0 1 390.484 2.652 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000827847082 603653723 /nfs/dbraw/zinc/65/37/23/603653723.db2.gz STEWUCORFJWYLP-XVLXNVKGSA-N 0 1 386.496 2.576 20 0 GFADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000825951182 603765200 /nfs/dbraw/zinc/76/52/00/603765200.db2.gz SXNSLRDOJYZOSK-JKSUJKDBSA-N 0 1 375.469 2.736 20 0 GFADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000825951181 603765360 /nfs/dbraw/zinc/76/53/60/603765360.db2.gz SXNSLRDOJYZOSK-HZPDHXFCSA-N 0 1 375.469 2.736 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NCCN(C(=O)[O-])C2CC2)[C@H]1c1cccs1 ZINC000828472526 603766267 /nfs/dbraw/zinc/76/62/67/603766267.db2.gz PANZFAQEYLXDRO-CJNGLKHVSA-N 0 1 380.514 2.573 20 0 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O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000834110997 605388057 /nfs/dbraw/zinc/38/80/57/605388057.db2.gz YSIKKMHMNHSXDU-ATZDWAIDSA-N 0 1 387.480 2.905 20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000833683474 605426584 /nfs/dbraw/zinc/42/65/84/605426584.db2.gz QTPJFNFHUDZGRY-OKILXGFUSA-N 0 1 386.514 2.577 20 0 GFADMN CCC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826897769 605483397 /nfs/dbraw/zinc/48/33/97/605483397.db2.gz OMPYORPFSXPCQA-UHFFFAOYSA-N 0 1 390.484 2.806 20 0 GFADMN CCC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)C1CCN(C(=O)[O-])CC1 ZINC000826902625 605483425 /nfs/dbraw/zinc/48/34/25/605483425.db2.gz DSRQJSPFXWKTHR-UHFFFAOYSA-N 0 1 383.518 2.629 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000833819745 605508268 /nfs/dbraw/zinc/50/82/68/605508268.db2.gz VPSFYIKSTMHCBH-UHOSZYNNSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000824785971 605556253 /nfs/dbraw/zinc/55/62/53/605556253.db2.gz ISALUAIDDWNSIN-NUJGCVRESA-N 0 1 376.501 2.727 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000833811679 605604713 /nfs/dbraw/zinc/60/47/13/605604713.db2.gz DHDSNVKDKDSLRY-HIFRSBDPSA-N 0 1 386.452 2.716 20 0 GFADMN C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824881064 605802563 /nfs/dbraw/zinc/80/25/63/605802563.db2.gz STEYQQFPAHXLBJ-DOTOQJQBSA-N 0 1 385.468 2.515 20 0 GFADMN Cc1sc2nc(C[N@@H+](C3CC3)C3CCN(C(=O)[O-])CC3)nc(N)c2c1C ZINC000833935691 605806306 /nfs/dbraw/zinc/80/63/06/605806306.db2.gz HSSDFFVVQZHEMP-UHFFFAOYSA-N 0 1 375.498 2.997 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833285 605884692 /nfs/dbraw/zinc/88/46/92/605884692.db2.gz XFVOFLKAFPBPGG-NXEZZACHSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833285 605884696 /nfs/dbraw/zinc/88/46/96/605884696.db2.gz XFVOFLKAFPBPGG-NXEZZACHSA-N 0 1 391.802 2.858 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c(C(=O)[O-])c1 ZINC000833510524 605915046 /nfs/dbraw/zinc/91/50/46/605915046.db2.gz LZUUWEWEWRWVQA-ROUUACIJSA-N 0 1 387.480 2.532 20 0 GFADMN O=C([O-])NCc1nc(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000834248872 606019915 /nfs/dbraw/zinc/01/99/15/606019915.db2.gz KRDVKLLTLHLREI-AWEZNQCLSA-N 0 1 375.450 2.732 20 0 GFADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000823290630 606297078 /nfs/dbraw/zinc/29/70/78/606297078.db2.gz ZPTWAGCZJCTINA-OAHLLOKOSA-N 0 1 396.426 2.562 20 0 GFADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000823290630 606297080 /nfs/dbraw/zinc/29/70/80/606297080.db2.gz ZPTWAGCZJCTINA-OAHLLOKOSA-N 0 1 396.426 2.562 20 0 GFADMN C[C@H]([NH2+][C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)[C@@H](C)c1ccccc1 ZINC000820418528 606309020 /nfs/dbraw/zinc/30/90/20/606309020.db2.gz BFVUPDOURBFQDN-DVOMOZLQSA-N 0 1 382.493 2.815 20 0 GFADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000820151024 606343521 /nfs/dbraw/zinc/34/35/21/606343521.db2.gz AJQBSMWYJFDWKB-UHFFFAOYSA-N 0 1 396.455 2.789 20 0 GFADMN Fc1ccc2c(c1)[C@H](N1CCN(c3cccc(F)c3-c3nn[nH]n3)CC1)CC2 ZINC000822782921 606374339 /nfs/dbraw/zinc/37/43/39/606374339.db2.gz MAKHZQHEMBAMLJ-QGZVFWFLSA-N 0 1 382.418 2.954 20 0 GFADMN Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275415 606498790 /nfs/dbraw/zinc/49/87/90/606498790.db2.gz UMMGKMQDRGCQHB-ZFWWWQNUSA-N 0 1 380.477 2.685 20 0 GFADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275415 606498792 /nfs/dbraw/zinc/49/87/92/606498792.db2.gz UMMGKMQDRGCQHB-ZFWWWQNUSA-N 0 1 380.477 2.685 20 0 GFADMN CN(c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1)C1CC[NH+](C)CC1 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O=C(C(F)=C1CCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822911835 606820651 /nfs/dbraw/zinc/82/06/51/606820651.db2.gz BHYYNYICFUOQRO-UHFFFAOYSA-N 0 1 384.459 2.699 20 0 GFADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)Cc1cnn(-c2ccccc2)c1 ZINC000821600294 606883509 /nfs/dbraw/zinc/88/35/09/606883509.db2.gz GSVZURATQXTJNQ-UHFFFAOYSA-N 0 1 389.463 2.953 20 0 GFADMN Cc1ccccc1C(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822345170 607058833 /nfs/dbraw/zinc/05/88/33/607058833.db2.gz GUUGWRJMXNNFSY-UHFFFAOYSA-N 0 1 394.454 2.709 20 0 GFADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000819991612 607089237 /nfs/dbraw/zinc/08/92/37/607089237.db2.gz JPJYLYYLQJPCIF-UHFFFAOYSA-N 0 1 398.511 2.501 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2CCC(C)C)cc1-c1nn[nH]n1 ZINC000821969548 607165301 /nfs/dbraw/zinc/16/53/01/607165301.db2.gz BHNJOGWSYPQOLX-LLVKDONJSA-N 0 1 376.486 2.730 20 0 GFADMN CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000825412760 607997963 /nfs/dbraw/zinc/99/79/63/607997963.db2.gz SWHSGUDFOLWJLN-UHFFFAOYSA-N 0 1 396.451 2.545 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028947 608113641 /nfs/dbraw/zinc/11/36/41/608113641.db2.gz KZFSUCWJHRPNTI-ZBFHGGJFSA-N 0 1 376.436 2.741 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826028947 608113642 /nfs/dbraw/zinc/11/36/42/608113642.db2.gz KZFSUCWJHRPNTI-ZBFHGGJFSA-N 0 1 376.436 2.741 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028944 608113843 /nfs/dbraw/zinc/11/38/43/608113843.db2.gz KZFSUCWJHRPNTI-GDBMZVCRSA-N 0 1 376.436 2.741 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000826028944 608113844 /nfs/dbraw/zinc/11/38/44/608113844.db2.gz KZFSUCWJHRPNTI-GDBMZVCRSA-N 0 1 376.436 2.741 20 0 GFADMN CCN(CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825428595 608164888 /nfs/dbraw/zinc/16/48/88/608164888.db2.gz QVBZWTFOSGCTAK-ZDUSSCGKSA-N 0 1 399.886 2.807 20 0 GFADMN CN1CCO[C@H]([C@H](NCc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045579 608243029 /nfs/dbraw/zinc/24/30/29/608243029.db2.gz ZOTMYJGWRRQFNJ-RBUKOAKNSA-N 0 1 398.898 2.682 20 0 GFADMN Cc1ccnc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)c1 ZINC000826313966 608280434 /nfs/dbraw/zinc/28/04/34/608280434.db2.gz ZUNBWGKCOPVZHU-OAHLLOKOSA-N 0 1 390.495 2.782 20 0 GFADMN Fc1ccc(-c2n[nH]c(CNc3nc4c(cc3-c3nn[nH]n3)CCCC4)n2)cc1 ZINC000826373053 608284430 /nfs/dbraw/zinc/28/44/30/608284430.db2.gz XWFJCGXKUIPFOC-UHFFFAOYSA-N 0 1 391.414 2.677 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000826169155 608368803 /nfs/dbraw/zinc/36/88/03/608368803.db2.gz JWMKURSXBLUCMQ-AWEZNQCLSA-N 0 1 387.484 2.819 20 0 GFADMN COc1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000826188202 608431794 /nfs/dbraw/zinc/43/17/94/608431794.db2.gz QFYGADBVNQWEJV-LLVKDONJSA-N 0 1 386.481 2.843 20 0 GFADMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824324849 608437672 /nfs/dbraw/zinc/43/76/72/608437672.db2.gz WSZVAEMHALNZCG-AWEZNQCLSA-N 0 1 380.452 2.943 20 0 GFADMN OC[C@H](NCc1cc(-c2nn[nH]n2)cs1)c1ccc(Br)cc1 ZINC000826508679 608452144 /nfs/dbraw/zinc/45/21/44/608452144.db2.gz YMTZBKZECXJGLW-ZDUSSCGKSA-N 0 1 380.271 2.514 20 0 GFADMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824333863 608453066 /nfs/dbraw/zinc/45/30/66/608453066.db2.gz OSIDPSCHVOFUNF-OAHLLOKOSA-N 0 1 394.479 2.621 20 0 GFADMN Cc1ccccc1C[C@@H](C)NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307146 608460215 /nfs/dbraw/zinc/46/02/15/608460215.db2.gz XOKZULOLXQUNPZ-HZPDHXFCSA-N 0 1 378.480 2.573 20 0 GFADMN CCOc1cccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825649291 608502398 /nfs/dbraw/zinc/50/23/98/608502398.db2.gz OABLDZMAQKAGPJ-UHFFFAOYSA-N 0 1 378.480 2.583 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000826412371 608531727 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GFADMN CN(C(=O)c1ccc(F)cc1I)[C@@H]1CN2CCC1CC2 ZINC000394290923 563529617 /nfs/dbraw/zinc/52/96/17/563529617.db2.gz ZMYWKQPAKWEHNR-CQSZACIVSA-N 0 1 388.224 2.597 20 0 GFADMN CC(C)(C)OC(=O)Nc1ncc(CNCC2(S(C)(=O)=O)CCCC2)s1 ZINC000285648403 563530114 /nfs/dbraw/zinc/53/01/14/563530114.db2.gz ZRYDADUXEVGGHO-UHFFFAOYSA-N 0 1 389.543 2.937 20 0 GFADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000397065424 563531880 /nfs/dbraw/zinc/53/18/80/563531880.db2.gz HXIVAXBOSNOMEK-OCCSQVGLSA-N 0 1 383.286 2.593 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000398885895 563533660 /nfs/dbraw/zinc/53/36/60/563533660.db2.gz GICPDEKLLDCKGP-GFCCVEGCSA-N 0 1 375.694 2.943 20 0 GFADMN CN[C@H](C)c1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405274283 563538593 /nfs/dbraw/zinc/53/85/93/563538593.db2.gz WGKCALUBILASHW-MRVPVSSYSA-N 0 1 376.629 2.865 20 0 GFADMN C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC(C)(C)O1 ZINC000408350420 563552499 /nfs/dbraw/zinc/55/24/99/563552499.db2.gz 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C[C@H]1[C@H](C)N(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CCN1C ZINC000332688034 563611736 /nfs/dbraw/zinc/61/17/36/563611736.db2.gz UMXISXWYTJZSAJ-UWVGGRQHSA-N 0 1 383.880 3.554 20 0 GFADMN O=S(=O)(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1c(Cl)ccc(F)c1F ZINC000287944861 563623955 /nfs/dbraw/zinc/62/39/55/563623955.db2.gz WCZKYHGGAFSBSZ-OTYXRUKQSA-N 0 1 383.869 2.951 20 0 GFADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2C(F)(F)F)o1 ZINC000288026219 563626336 /nfs/dbraw/zinc/62/63/36/563626336.db2.gz HOAVECRCJPSIOH-LLVKDONJSA-N 0 1 378.372 2.922 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)c(C)c1 ZINC000434633406 563633304 /nfs/dbraw/zinc/63/33/04/563633304.db2.gz HKXCYMWJELSBHL-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN O=C(c1ccc(Br)cc1F)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333651847 563638169 /nfs/dbraw/zinc/63/81/69/563638169.db2.gz ZCJYEJCBUTYCOB-UHFFFAOYSA-N 0 1 393.260 2.865 20 0 GFADMN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(F)(F)F ZINC000288344865 563639021 /nfs/dbraw/zinc/63/90/21/563639021.db2.gz ILFBXWUWHHDTAX-UWVGGRQHSA-N 0 1 387.807 2.984 20 0 GFADMN Cc1c(Br)ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1F ZINC000435018928 563641646 /nfs/dbraw/zinc/64/16/46/563641646.db2.gz ZHZVCRKGTHEGQC-LBPRGKRZSA-N 0 1 398.276 2.530 20 0 GFADMN Cc1cccc(S(=O)(=O)NCCN2CCC(C)CC2)c1Br ZINC000435214021 563645506 /nfs/dbraw/zinc/64/55/06/563645506.db2.gz CXFSPTDPFWUTMM-UHFFFAOYSA-N 0 1 375.332 2.768 20 0 GFADMN CNC(=O)NC1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000412053020 563645830 /nfs/dbraw/zinc/64/58/30/563645830.db2.gz HFEWVWUKACBELH-UHFFFAOYSA-N 0 1 377.286 2.891 20 0 GFADMN CC(C)N(CC(=O)NCCc1cccc(Cl)c1Cl)C[C@@H]1CCC(=O)N1 ZINC000412070774 563646748 /nfs/dbraw/zinc/64/67/48/563646748.db2.gz HMHHYISBBMMSEF-AWEZNQCLSA-N 0 1 386.323 2.641 20 0 GFADMN CC(C)N(CC(=O)NCCc1cccc(Cl)c1Cl)C[C@H]1CCC(=O)N1 ZINC000412070789 563646791 /nfs/dbraw/zinc/64/67/91/563646791.db2.gz HMHHYISBBMMSEF-CQSZACIVSA-N 0 1 386.323 2.641 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCc1cccc(Br)c1Cl ZINC000412484719 563659421 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O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cc(Br)ccc1[O-] ZINC000436645929 563676386 /nfs/dbraw/zinc/67/63/86/563676386.db2.gz DMZBBFWVNARPJS-OAHLLOKOSA-N 0 1 391.265 2.974 20 0 GFADMN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(Br)nc2)cc1 ZINC000289598420 563679898 /nfs/dbraw/zinc/67/98/98/563679898.db2.gz FVVQJFDNZJYKCT-LBPRGKRZSA-N 0 1 378.270 2.820 20 0 GFADMN NC(=O)c1c[nH]c(-c2noc(-c3cc(-c4ccc(Br)cc4)n[nH]3)n2)c1 ZINC000351043580 563680552 /nfs/dbraw/zinc/68/05/52/563680552.db2.gz PCOLUCVASNPUFY-UHFFFAOYSA-N 0 1 399.208 2.983 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000413049967 563680913 /nfs/dbraw/zinc/68/09/13/563680913.db2.gz UEQZEQCPCNLHFJ-NWDGAFQWSA-N 0 1 388.295 2.801 20 0 GFADMN C[NH+](C)C1(CNC(=O)c2cc(Br)ccc2[O-])Cc2ccccc2C1 ZINC000436915579 563684674 /nfs/dbraw/zinc/68/46/74/563684674.db2.gz PBVKAUYKMOLCAR-UHFFFAOYSA-N 0 1 389.293 2.984 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000413891641 563708731 /nfs/dbraw/zinc/70/87/31/563708731.db2.gz GYFVQQNZNIZFJH-HZSPNIEDSA-N 0 1 385.291 2.660 20 0 GFADMN CS(=O)(=O)Nc1ccc(-c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)cc1 ZINC000363099742 563714203 /nfs/dbraw/zinc/71/42/03/563714203.db2.gz XQFFGBOIJSSARL-HOCLYGCPSA-N 0 1 379.507 2.717 20 0 GFADMN CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124730 563714903 /nfs/dbraw/zinc/71/49/03/563714903.db2.gz ZTHYBNZKDGLVBD-LRDDRELGSA-N 0 1 386.323 2.971 20 0 GFADMN CNC(=O)[C@@H](C)CN(C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000363124730 563714907 /nfs/dbraw/zinc/71/49/07/563714907.db2.gz ZTHYBNZKDGLVBD-LRDDRELGSA-N 0 1 386.323 2.971 20 0 GFADMN Cc1ccc(Br)cc1CNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000439048034 563716318 /nfs/dbraw/zinc/71/63/18/563716318.db2.gz ATZPQOPHYFXVSQ-KRWDZBQOSA-N 0 1 398.345 2.914 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000439211034 563719747 /nfs/dbraw/zinc/71/97/47/563719747.db2.gz CPKXCBCYFVRTOB-AWEZNQCLSA-N 0 1 375.332 2.862 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C)ccc1Br ZINC000439212917 563719793 /nfs/dbraw/zinc/71/97/93/563719793.db2.gz HDHHWFSAFIBXAA-ZDUSSCGKSA-N 0 1 375.332 2.862 20 0 GFADMN O=C(Cc1ccccc1Br)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000363363221 563720170 /nfs/dbraw/zinc/72/01/70/563720170.db2.gz UJRDWXOIQJHYOR-RDJZCZTQSA-N 0 1 381.314 2.609 20 0 GFADMN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000414212663 563722776 /nfs/dbraw/zinc/72/27/76/563722776.db2.gz RIJLAFQSKFATFK-VIFPVBQESA-N 0 1 395.308 2.921 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000439341035 563722926 /nfs/dbraw/zinc/72/29/26/563722926.db2.gz LERIPVKKLCCTNF-SNVBAGLBSA-N 0 1 377.794 2.850 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000439342356 563722989 /nfs/dbraw/zinc/72/29/89/563722989.db2.gz BBIGWAGFOBTVPF-SNVBAGLBSA-N 0 1 388.693 2.594 20 0 GFADMN C[C@@H]1CN(C2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)CCO1 ZINC000363433534 563723014 /nfs/dbraw/zinc/72/30/14/563723014.db2.gz DBCXKEMTPMXGHD-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN CN1CCO[C@H]([C@H](NCCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263591 563724108 /nfs/dbraw/zinc/72/41/08/563724108.db2.gz PIRZJYZISQBKBA-DLBZAZTESA-N 0 1 388.961 2.515 20 0 GFADMN CN1CCO[C@@H]([C@H](NCCC(C)(C)S(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000414263594 563724193 /nfs/dbraw/zinc/72/41/93/563724193.db2.gz PIRZJYZISQBKBA-IAGOWNOFSA-N 0 1 388.961 2.515 20 0 GFADMN CNC(=O)[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000363522345 563725229 /nfs/dbraw/zinc/72/52/29/563725229.db2.gz HTUZQZOLGIXVAL-CQSZACIVSA-N 0 1 383.945 2.598 20 0 GFADMN NS(=O)(=O)c1ccc(CNC2(c3ccccc3)CC2)cc1Br ZINC000414336816 563727542 /nfs/dbraw/zinc/72/75/42/563727542.db2.gz CYUPSUBFQHEFQD-UHFFFAOYSA-N 0 1 381.295 2.875 20 0 GFADMN COCCN1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000363592557 563727563 /nfs/dbraw/zinc/72/75/63/563727563.db2.gz OQNUBBZBACPPKS-SJORKVTESA-N 0 1 381.314 2.733 20 0 GFADMN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439573975 563728695 /nfs/dbraw/zinc/72/86/95/563728695.db2.gz PPABGJSCPYQJFB-UHFFFAOYSA-N 0 1 396.515 2.950 20 0 GFADMN CCOC(=O)CC1(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 ZINC000414379908 563731325 /nfs/dbraw/zinc/73/13/25/563731325.db2.gz HSLNJEAEWABSRC-UHFFFAOYSA-N 0 1 379.429 2.704 20 0 GFADMN CSCC[C@H](CO)NCc1c(Br)cncc1Br ZINC000414386096 563732410 /nfs/dbraw/zinc/73/24/10/563732410.db2.gz XYOKVHAZOMOTJX-MRVPVSSYSA-N 0 1 384.137 2.810 20 0 GFADMN CC(C)N1CCc2nc(CN3CCN(CC(F)(F)F)[C@H](C)C3)sc2C1 ZINC000363865983 563735430 /nfs/dbraw/zinc/73/54/30/563735430.db2.gz VJVQOTCYVFDWBD-CYBMUJFWSA-N 0 1 376.492 2.978 20 0 GFADMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000440085426 563736540 /nfs/dbraw/zinc/73/65/40/563736540.db2.gz APJVBKZEBUTKBQ-QWHCGFSZSA-N 0 1 380.432 2.984 20 0 GFADMN Cc1ccc(CNc2ccc(CN3CCN(C)CC3)c(Br)c2)nn1 ZINC000414431342 563736741 /nfs/dbraw/zinc/73/67/41/563736741.db2.gz HOWSQCYCBMDCPR-UHFFFAOYSA-N 0 1 390.329 2.907 20 0 GFADMN CC(=O)N[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000363964704 563738406 /nfs/dbraw/zinc/73/84/06/563738406.db2.gz WKKJZKKBRYZLTD-HNNXBMFYSA-N 0 1 383.945 2.741 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1[NH+](C)C ZINC000414465477 563741454 /nfs/dbraw/zinc/74/14/54/563741454.db2.gz RDHGDBCWHXIZSF-STQMWFEESA-N 0 1 395.308 2.541 20 0 GFADMN COc1c(Br)c(C)sc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000364089010 563742885 /nfs/dbraw/zinc/74/28/85/563742885.db2.gz OXMIVZMBJRPBMA-VIFPVBQESA-N 0 1 385.287 2.966 20 0 GFADMN COC[C@@](C)(CC(=O)OC)NCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000440549391 563744879 /nfs/dbraw/zinc/74/48/79/563744879.db2.gz HCLHMLCOEOBEBV-IQMFZBJNSA-N 0 1 382.309 2.659 20 0 GFADMN CC(C)(CN1CCOCC1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000414539701 563746037 /nfs/dbraw/zinc/74/60/37/563746037.db2.gz BCLWKURYOGXKKF-UHFFFAOYSA-N 0 1 384.311 2.775 20 0 GFADMN O[C@@H](CNCc1cc(C(F)(F)F)n[nH]1)COc1ccccc1Br ZINC000440631696 563746426 /nfs/dbraw/zinc/74/64/26/563746426.db2.gz ZKCJYQRVROVMHB-JTQLQIEISA-N 0 1 394.191 2.721 20 0 GFADMN CC[C@@](CNCc1c(Br)cnn1C)(C(=O)OC)c1ccccc1 ZINC000414593234 563747594 /nfs/dbraw/zinc/74/75/94/563747594.db2.gz VTVXMOWPKURHHJ-KRWDZBQOSA-N 0 1 380.286 2.793 20 0 GFADMN COc1ccc(C)cc1CNCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441353881 563758268 /nfs/dbraw/zinc/75/82/68/563758268.db2.gz HMFAWEBXELPMFA-UHFFFAOYSA-N 0 1 386.876 2.864 20 0 GFADMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000364686609 563761513 /nfs/dbraw/zinc/76/15/13/563761513.db2.gz PVWJUISPKLWLEJ-KBPBESRZSA-N 0 1 375.270 2.861 20 0 GFADMN O=C(c1[nH]nc2c1CNCC2)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000364726181 563762584 /nfs/dbraw/zinc/76/25/84/563762584.db2.gz WXEYDWFBDHRTDM-AWEZNQCLSA-N 0 1 389.297 2.665 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1Cl ZINC000441952834 563766114 /nfs/dbraw/zinc/76/61/14/563766114.db2.gz GUMLVSAWOXJMMN-BETUJISGSA-N 0 1 388.917 2.668 20 0 GFADMN CC(C)c1nc(CS(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000291991054 563768441 /nfs/dbraw/zinc/76/84/41/563768441.db2.gz WIKUBDJZXPQBRI-UHFFFAOYSA-N 0 1 379.873 2.882 20 0 GFADMN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC000291998005 563768462 /nfs/dbraw/zinc/76/84/62/563768462.db2.gz XDKMKJJKXDLOPY-GFCCVEGCSA-N 0 1 386.901 2.533 20 0 GFADMN CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000415344659 563768808 /nfs/dbraw/zinc/76/88/08/563768808.db2.gz DYXMBWBROOQYTH-BETUJISGSA-N 0 1 396.285 2.984 20 0 GFADMN Cc1nc2cccc(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)c2[nH]1 ZINC000292016003 563769805 /nfs/dbraw/zinc/76/98/05/563769805.db2.gz NWJDXTBTCSTWRO-XPTSAGLGSA-N 0 1 375.475 2.970 20 0 GFADMN CCOc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442300462 563770704 /nfs/dbraw/zinc/77/07/04/563770704.db2.gz DYNDSJRUSLNABN-UHFFFAOYSA-N 0 1 399.266 2.748 20 0 GFADMN O=S(=O)(NC1CCN(Cc2cscn2)CC1)c1c(F)cc(F)cc1F ZINC000365123234 563774543 /nfs/dbraw/zinc/77/45/43/563774543.db2.gz ZCKVMLNVKAOWEU-UHFFFAOYSA-N 0 1 391.440 2.503 20 0 GFADMN C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000365115528 563774870 /nfs/dbraw/zinc/77/48/70/563774870.db2.gz VHRAUYWILKOULD-OAHLLOKOSA-N 0 1 380.330 2.549 20 0 GFADMN O=C1[C@H](NCc2ccc(Br)c(Cl)c2)CCN1C1CCOCC1 ZINC000365205126 563777188 /nfs/dbraw/zinc/77/71/88/563777188.db2.gz UDTSSSOICCCKLS-OAHLLOKOSA-N 0 1 387.705 2.972 20 0 GFADMN C[C@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000292186935 563777416 /nfs/dbraw/zinc/77/74/16/563777416.db2.gz QOGYGBMIKJTINN-GJZGRUSLSA-N 0 1 381.314 2.733 20 0 GFADMN COC(=O)c1sccc1NC(=O)CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000292353736 563783419 /nfs/dbraw/zinc/78/34/19/563783419.db2.gz HOTYAKLAUDEKHC-MEBBXXQBSA-N 0 1 380.491 2.827 20 0 GFADMN C[C@H](CNC(=O)C1(Cc2ccccc2Br)CC1)N1CCN(C)CC1 ZINC000292420044 563786407 /nfs/dbraw/zinc/78/64/07/563786407.db2.gz ZZUHHFBEZNPNCZ-OAHLLOKOSA-N 0 1 394.357 2.524 20 0 GFADMN COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c(C)cc1Br ZINC000415713192 563792656 /nfs/dbraw/zinc/79/26/56/563792656.db2.gz WNANPWWIALGTKL-TXEJJXNPSA-N 0 1 396.285 2.902 20 0 GFADMN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000443470403 563806130 /nfs/dbraw/zinc/80/61/30/563806130.db2.gz VMEUWOMHOWAGJA-UHFFFAOYSA-N 0 1 396.515 2.952 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)CCN1C ZINC000443769321 563811675 /nfs/dbraw/zinc/81/16/75/563811675.db2.gz BFNAKTVUGIGUPN-NXEZZACHSA-N 0 1 381.723 2.864 20 0 GFADMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443780125 563812485 /nfs/dbraw/zinc/81/24/85/563812485.db2.gz MXGGPLXVLIAMBZ-JTQLQIEISA-N 0 1 381.723 2.817 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000416375261 563819308 /nfs/dbraw/zinc/81/93/08/563819308.db2.gz RLLQKOSVAQBIOH-QWHCGFSZSA-N 0 1 390.933 2.756 20 0 GFADMN COc1cc(S(=O)(=O)NCC(C)(C)N2CCC(OC)CC2)ccc1Cl ZINC000416393068 563822699 /nfs/dbraw/zinc/82/26/99/563822699.db2.gz UMAUZPKIOFBBTF-UHFFFAOYSA-N 0 1 390.933 2.516 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000444172792 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O=C1[C@H](N2CCN([C@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199569 563835176 /nfs/dbraw/zinc/83/51/76/563835176.db2.gz CQFVMCHPCDCUSY-WMLDXEAASA-N 0 1 383.920 2.708 20 0 GFADMN COCCc1nsc(Sc2nc(-c3ccc(OC)cc3OC)n[nH]2)n1 ZINC000444836820 563838326 /nfs/dbraw/zinc/83/83/26/563838326.db2.gz RAIFDXUBYMHNBE-UHFFFAOYSA-N 0 1 379.467 2.681 20 0 GFADMN Cc1c(Br)cccc1S(=O)(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000416546222 563846185 /nfs/dbraw/zinc/84/61/85/563846185.db2.gz SGOTYBRALCJHCK-UHFFFAOYSA-N 0 1 387.303 2.652 20 0 GFADMN Cc1cc(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)ccc1C(F)(F)F ZINC000416546246 563846343 /nfs/dbraw/zinc/84/63/43/563846343.db2.gz SIYYWKCAZUKTHC-UHFFFAOYSA-N 0 1 376.404 2.908 20 0 GFADMN CN(C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(Br)o1 ZINC000416561046 563848378 /nfs/dbraw/zinc/84/83/78/563848378.db2.gz TUSHKRPLQNOKMZ-UHFFFAOYSA-N 0 1 393.328 2.856 20 0 GFADMN C[C@@H](c1ncc(Br)cn1)N1CCC(CCN2CCOCC2)CC1 ZINC000367856524 563857762 /nfs/dbraw/zinc/85/77/62/563857762.db2.gz 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C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)CC(C)(C)C1 ZINC000570339870 564501825 /nfs/dbraw/zinc/50/18/25/564501825.db2.gz WEKGHKBVOWXENJ-CYBMUJFWSA-N 0 1 396.329 2.872 20 0 GFADMN O=C1C[C@@]2(CN1)CCCN([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000481108714 564504114 /nfs/dbraw/zinc/50/41/14/564504114.db2.gz NVRQFRTYXGBDSW-CRAIPNDOSA-N 0 1 382.291 2.701 20 0 GFADMN O=S(=O)(C[C@H](O)CNCc1cscc1C(F)(F)F)c1cccs1 ZINC000516755480 564510456 /nfs/dbraw/zinc/51/04/56/564510456.db2.gz LWBTVJQSDYXPJO-SNVBAGLBSA-N 0 1 385.454 2.753 20 0 GFADMN O=S(=O)(CCNCCOc1cccc(Br)c1)c1ccccc1 ZINC000570625954 564514296 /nfs/dbraw/zinc/51/42/96/564514296.db2.gz RWHPBXHGRIBQBH-UHFFFAOYSA-N 0 1 384.295 2.891 20 0 GFADMN O=S1(=O)CC(CCSc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000516950445 564517774 /nfs/dbraw/zinc/51/77/74/564517774.db2.gz SZJSWHPKTJFXHS-UHFFFAOYSA-N 0 1 388.312 2.761 20 0 GFADMN CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730552 564520473 /nfs/dbraw/zinc/52/04/73/564520473.db2.gz 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O=c1cc(CN2CCC[C@@H](OCC3CC3)C2)nc2ccc(Br)cn12 ZINC000548626483 564568431 /nfs/dbraw/zinc/56/84/31/564568431.db2.gz NSCFRLNNGLJKOC-MRXNPFEDSA-N 0 1 392.297 2.848 20 0 GFADMN Cc1nc2cc(Cl)c(NC(=O)C(=O)NCCN3CCCCC3)cc2s1 ZINC000483571408 564570255 /nfs/dbraw/zinc/57/02/55/564570255.db2.gz FLQYQHQZYXPXPB-UHFFFAOYSA-N 0 1 380.901 2.799 20 0 GFADMN COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000519144143 564570484 /nfs/dbraw/zinc/57/04/84/564570484.db2.gz KSTJPBRLSBQMHB-VIFPVBQESA-N 0 1 382.214 2.566 20 0 GFADMN O=C(NCCNC(=O)c1cccc(Br)c1O)c1ccccc1Cl ZINC000519311643 564573845 /nfs/dbraw/zinc/57/38/45/564573845.db2.gz FNZAAWNNNRLZNL-UHFFFAOYSA-N 0 1 397.656 2.968 20 0 GFADMN COc1ccc(Br)c(CS(=O)(=O)Nc2ccc(C(C)=O)cn2)c1 ZINC000548770261 564574746 /nfs/dbraw/zinc/57/47/46/564574746.db2.gz WCYQOXUUCQRHSA-UHFFFAOYSA-N 0 1 399.266 2.997 20 0 GFADMN Cc1cc(NC(=O)c2cc(Br)cc3nc[nH]c32)ccc1-n1cnnn1 ZINC000548804624 564575769 /nfs/dbraw/zinc/57/57/69/564575769.db2.gz KEXNXGJUUARYID-UHFFFAOYSA-N 0 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CCCOc1c(Br)cc(CN[C@@H]2CC(=O)N(C)C2)cc1OCC ZINC000520973108 564616736 /nfs/dbraw/zinc/61/67/36/564616736.db2.gz IPJOXSLTTVPSFZ-CYBMUJFWSA-N 0 1 385.302 2.957 20 0 GFADMN CC[C@H](C)N1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000456562475 564617616 /nfs/dbraw/zinc/61/76/16/564617616.db2.gz VOYRTWCYTWXXBO-LBPRGKRZSA-N 0 1 383.286 2.777 20 0 GFADMN COC(=O)c1cnc(NS(=O)(=O)c2cccnc2C(F)(F)F)c(Cl)c1 ZINC000521131838 564620227 /nfs/dbraw/zinc/62/02/27/564620227.db2.gz IASLTGCRFVMYJF-UHFFFAOYSA-N 0 1 395.746 2.736 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(O)cc2Br)[C@@H]1n1cccn1 ZINC000550327267 564620744 /nfs/dbraw/zinc/62/07/44/564620744.db2.gz TYJLVXAHTRTRBL-XKQJLSEDSA-N 0 1 396.285 2.868 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000573126164 564624088 /nfs/dbraw/zinc/62/40/88/564624088.db2.gz ISVHNBRITQOAJL-KRWDZBQOSA-N 0 1 379.254 2.920 20 0 GFADMN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000573219386 564628553 /nfs/dbraw/zinc/62/85/53/564628553.db2.gz 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CCOc1cc(CNCC(C)(C)S(C)(=O)=O)ccc1OCC(F)(F)F ZINC000674044610 565858162 /nfs/dbraw/zinc/85/81/62/565858162.db2.gz CTWLTIBREFBVKP-UHFFFAOYSA-N 0 1 383.432 2.939 20 0 GFADMN CCN1C[C@H](CNc2ccnc3cc(OC)c(Br)cc32)CC1=O ZINC000651423222 565861831 /nfs/dbraw/zinc/86/18/31/565861831.db2.gz CWWZYBXZKUYKAH-NSHDSACASA-N 0 1 378.270 2.708 20 0 GFADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC(c2nc[nH]n2)CC1 ZINC000674366771 565871956 /nfs/dbraw/zinc/87/19/56/565871956.db2.gz AHRXALAGLNWPDP-UHFFFAOYSA-N 0 1 379.251 2.708 20 0 GFADMN COCCNC(=O)C1CCN(Cc2sc(C)cc2Br)CC1 ZINC000651575841 565874943 /nfs/dbraw/zinc/87/49/43/565874943.db2.gz SRSGEBAMLNBGOG-UHFFFAOYSA-N 0 1 375.332 2.794 20 0 GFADMN COC[C@@]1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000629908315 565875829 /nfs/dbraw/zinc/87/58/29/565875829.db2.gz PRMBGUDYUNQDPG-QGZVFWFLSA-N 0 1 394.269 2.717 20 0 GFADMN O=C(NCc1c[nH]nn1)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000674757601 565882991 /nfs/dbraw/zinc/88/29/91/565882991.db2.gz ABZAGXKLQGIXSH-UHFFFAOYSA-N 0 1 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O=S(=O)(C[C@H]1CCC1(F)F)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000631847257 565977898 /nfs/dbraw/zinc/97/78/98/565977898.db2.gz QPRXVZUZCIEFRN-ZIAGYGMSSA-N 0 1 378.510 2.925 20 0 GFADMN COc1cc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)sc1Br ZINC000677644545 565979613 /nfs/dbraw/zinc/97/96/13/565979613.db2.gz USURSCWYIKZFRF-NSHDSACASA-N 0 1 394.254 2.552 20 0 GFADMN CCOc1cc(CN(C)CC[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000677675357 565980924 /nfs/dbraw/zinc/98/09/24/565980924.db2.gz DSIYEVKNVSXZGH-ZDUSSCGKSA-N 0 1 377.453 2.943 20 0 GFADMN COc1ccc(CN(C)C[C@@H](O)COc2ccc(Br)cc2)cn1 ZINC000677898631 565987292 /nfs/dbraw/zinc/98/72/92/565987292.db2.gz NAVNGNVDQHVJPE-OAHLLOKOSA-N 0 1 381.270 2.724 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)Nc1cc(F)ccc1Br ZINC000654017326 565990869 /nfs/dbraw/zinc/99/08/69/565990869.db2.gz LTRKEORJCFXCNV-NSHDSACASA-N 0 1 384.209 2.880 20 0 GFADMN C[C@H](C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000678023175 565995039 /nfs/dbraw/zinc/99/50/39/565995039.db2.gz OVICZYRGMGXOEM-RRQGHBQHSA-N 0 1 381.314 2.610 20 0 GFADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(Br)cn1 ZINC000608058570 566001362 /nfs/dbraw/zinc/00/13/62/566001362.db2.gz WRJQZJPRMIZZSY-KRWDZBQOSA-N 0 1 387.281 2.772 20 0 GFADMN Cc1cc(CNC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)n[nH]1 ZINC000608135108 566004714 /nfs/dbraw/zinc/00/47/14/566004714.db2.gz GVCZEKNPFCWROH-INIZCTEOSA-N 0 1 383.279 2.715 20 0 GFADMN O=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(F)c(Br)c1 ZINC000608341349 566011187 /nfs/dbraw/zinc/01/11/87/566011187.db2.gz OQHCGRWCKKKGAG-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000608354564 566012150 /nfs/dbraw/zinc/01/21/50/566012150.db2.gz NKLORFJEKRKVIB-OAHLLOKOSA-N 0 1 378.219 2.791 20 0 GFADMN CCN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C[C@H]1C ZINC000678907075 566024175 /nfs/dbraw/zinc/02/41/75/566024175.db2.gz FLPHVFDSUCGMIU-LLVKDONJSA-N 0 1 375.441 2.586 20 0 GFADMN Cc1cc(C[C@H](C)NS(=O)(=O)Cc2cc(F)ccc2Br)n[nH]1 ZINC000632396518 566027845 /nfs/dbraw/zinc/02/78/45/566027845.db2.gz OXZAPUVFYJIEKJ-JTQLQIEISA-N 0 1 390.278 2.670 20 0 GFADMN CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@@H](C)C1 ZINC000632449857 566033299 /nfs/dbraw/zinc/03/32/99/566033299.db2.gz NIKYRTHGSZAJJL-NSHDSACASA-N 0 1 391.896 2.542 20 0 GFADMN CCN1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@@H](C)C1 ZINC000632449857 566033305 /nfs/dbraw/zinc/03/33/05/566033305.db2.gz NIKYRTHGSZAJJL-NSHDSACASA-N 0 1 391.896 2.542 20 0 GFADMN C[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632480835 566038323 /nfs/dbraw/zinc/03/83/23/566038323.db2.gz ZLRLVWDHXCNKSI-SCSAIBSYSA-N 0 1 375.250 2.545 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(OC)cc2F)c(F)c1 ZINC000609511577 566042087 /nfs/dbraw/zinc/04/20/87/566042087.db2.gz AFGDBPYSVOAICE-UHFFFAOYSA-N 0 1 375.324 2.700 20 0 GFADMN O=C(CCc1cc(F)ccc1Br)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655244329 566048213 /nfs/dbraw/zinc/04/82/13/566048213.db2.gz SQIDTPSEWJDAFH-CYBMUJFWSA-N 0 1 397.248 2.807 20 0 GFADMN CC(C)n1cc(Br)cc1C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655233412 566048553 /nfs/dbraw/zinc/04/85/53/566048553.db2.gz BRSGZRGIZXVKCU-LBPRGKRZSA-N 0 1 382.262 2.731 20 0 GFADMN O=c1[nH]cc(S(=O)(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)s1 ZINC000632626813 566051938 /nfs/dbraw/zinc/05/19/38/566051938.db2.gz UKILAQLRCZOWLM-HNNXBMFYSA-N 0 1 381.523 2.572 20 0 GFADMN CO[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccccc1Br ZINC000655398232 566055921 /nfs/dbraw/zinc/05/59/21/566055921.db2.gz ONTOUKBJVFEZLC-GWCFXTLKSA-N 0 1 396.241 2.631 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CCCS(=O)(=O)C1 ZINC000655738692 566085410 /nfs/dbraw/zinc/08/54/10/566085410.db2.gz PQHJHQXGNPONLP-HNNXBMFYSA-N 0 1 398.326 2.610 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CNC[C@H]1CCCS1(=O)=O ZINC000655748242 566085764 /nfs/dbraw/zinc/08/57/64/566085764.db2.gz UQLVXLYDVRYMKY-CQSZACIVSA-N 0 1 398.326 2.610 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000655743281 566086027 /nfs/dbraw/zinc/08/60/27/566086027.db2.gz FPLAVXSAKRHRHA-HNNXBMFYSA-N 0 1 389.297 2.796 20 0 GFADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000680869067 566086922 /nfs/dbraw/zinc/08/69/22/566086922.db2.gz DYOBNYNAGXXUHP-LLVKDONJSA-N 0 1 382.869 2.909 20 0 GFADMN CN(C)C(=O)[C@H]1CC[C@@H](CNCc2oc3ccccc3c2Br)O1 ZINC000655756046 566087237 /nfs/dbraw/zinc/08/72/37/566087237.db2.gz LXGDBYTZKYRUEP-SMDDNHRTSA-N 0 1 381.270 2.921 20 0 GFADMN C[C@H](c1ccccc1)[C@@H](CO)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000680991417 566090749 /nfs/dbraw/zinc/09/07/49/566090749.db2.gz HSTYNTXSYHDTES-JLZZUVOBSA-N 0 1 377.282 2.730 20 0 GFADMN O=C(CCc1nn[nH]n1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000633218133 566090895 /nfs/dbraw/zinc/09/08/95/566090895.db2.gz HZECZYLSEKAYKV-CYBMUJFWSA-N 0 1 378.274 2.519 20 0 GFADMN COC1CCN(CCNC(=O)Nc2nc(-c3sccc3C)ns2)CC1 ZINC000681181241 566097849 /nfs/dbraw/zinc/09/78/49/566097849.db2.gz OTLWIYJJPNZPMP-UHFFFAOYSA-N 0 1 381.527 2.807 20 0 GFADMN C[C@H](NCCOC[C@H]1CCOC1)c1ccccc1I ZINC000610815097 566101078 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C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)N1C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000634134214 566145308 /nfs/dbraw/zinc/14/53/08/566145308.db2.gz OPFSHAWKBDZZBX-JFGNBEQYSA-N 0 1 379.404 2.645 20 0 GFADMN CCC[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1nn[nH]n1 ZINC000612062096 566149811 /nfs/dbraw/zinc/14/98/11/566149811.db2.gz SLPVRCFHGTTWLW-LLVKDONJSA-N 0 1 391.229 2.888 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1NC(C)=O ZINC000612063075 566150099 /nfs/dbraw/zinc/15/00/99/566150099.db2.gz GNXWTYRHLXPUBG-UHFFFAOYSA-N 0 1 381.479 2.790 20 0 GFADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612533901 566166071 /nfs/dbraw/zinc/16/60/71/566166071.db2.gz YSRDRYDIOGPMNX-FMKPAKJESA-N 0 1 391.269 2.839 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000682768094 566170022 /nfs/dbraw/zinc/17/00/22/566170022.db2.gz WXLHKXWFIIOQPH-UHFFFAOYSA-N 0 1 388.281 2.817 20 0 GFADMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)CCOCC1CCC1 ZINC000634786020 566175344 /nfs/dbraw/zinc/17/53/44/566175344.db2.gz LRKPRNHPXXQGMF-UHFFFAOYSA-N 0 1 382.511 2.525 20 0 GFADMN O=C(Cc1c(Cl)cccc1Br)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000612815428 566175690 /nfs/dbraw/zinc/17/56/90/566175690.db2.gz GWZPLJDXKMRRQV-SECBINFHSA-N 0 1 384.665 2.564 20 0 GFADMN CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)cn1 ZINC000634785572 566176274 /nfs/dbraw/zinc/17/62/74/566176274.db2.gz QHUHNCGQKOWHOG-UHFFFAOYSA-N 0 1 379.463 2.714 20 0 GFADMN COc1ccc(Cl)cc1N1CC[C@H](NS(=O)(=O)c2ccccc2O)C1 ZINC000656892868 566176592 /nfs/dbraw/zinc/17/65/92/566176592.db2.gz HTVXXGAUWMDROX-ZDUSSCGKSA-N 0 1 382.869 2.611 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000656902089 566180050 /nfs/dbraw/zinc/18/00/50/566180050.db2.gz QSVQRGZFBADBPG-VIFPVBQESA-N 0 1 380.367 2.619 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000656902089 566180053 /nfs/dbraw/zinc/18/00/53/566180053.db2.gz QSVQRGZFBADBPG-VIFPVBQESA-N 0 1 380.367 2.619 20 0 GFADMN O=C(CCCc1nn[nH]n1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000635227404 566199606 /nfs/dbraw/zinc/19/96/06/566199606.db2.gz AWZQKXCDTJYULO-UHFFFAOYSA-N 0 1 382.237 2.615 20 0 GFADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@@H](O)CO[C@H](C)COC ZINC000683676550 566209504 /nfs/dbraw/zinc/20/95/04/566209504.db2.gz DXWLIALZHYFZOW-FVQBIDKESA-N 0 1 386.330 2.998 20 0 GFADMN C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[NH+](C)C ZINC000657091469 566221946 /nfs/dbraw/zinc/22/19/46/566221946.db2.gz OFHOZDCBIFHOKS-QMMMGPOBSA-N 0 1 387.702 2.860 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCC[C@@](OC)(C(F)(F)F)C2)c1Br ZINC000684062655 566224726 /nfs/dbraw/zinc/22/47/26/566224726.db2.gz GKNSWZPMWDJWKQ-LBPRGKRZSA-N 0 1 384.196 2.918 20 0 GFADMN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Cl)cc2Br)cn1 ZINC000275436220 570692607 /nfs/dbraw/zinc/69/26/07/570692607.db2.gz FPJCAMZDJBETFG-ZBFHGGJFSA-N 0 1 397.704 2.946 20 0 GFADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000736901939 598864069 /nfs/dbraw/zinc/86/40/69/598864069.db2.gz POZHZGNLRFRRGL-JVPBZIDWSA-N 0 1 377.448 2.959 20 0 GFADMN CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736400473 598865778 /nfs/dbraw/zinc/86/57/78/598865778.db2.gz OQEWULALYVFCPJ-OAHLLOKOSA-N 0 1 394.483 2.646 20 0 GFADMN CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736400473 598865780 /nfs/dbraw/zinc/86/57/80/598865780.db2.gz OQEWULALYVFCPJ-OAHLLOKOSA-N 0 1 394.483 2.646 20 0 GFADMN CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736400473 598865782 /nfs/dbraw/zinc/86/57/82/598865782.db2.gz OQEWULALYVFCPJ-OAHLLOKOSA-N 0 1 394.483 2.646 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000737301144 598929767 /nfs/dbraw/zinc/92/97/67/598929767.db2.gz IZUDUMVANOLSKI-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN Cc1ccccc1C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737425847 598947935 /nfs/dbraw/zinc/94/79/35/598947935.db2.gz FCOFVRCEBOIBIK-IBGZPJMESA-N 0 1 376.464 2.821 20 0 GFADMN O=C(OCc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738235956 599058227 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2.528 20 0 GFADMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293613 599239987 /nfs/dbraw/zinc/23/99/87/599239987.db2.gz PBQVSHAZAXLMSF-UKRRQHHQSA-N 0 1 386.504 2.514 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000532712184 597087159 /nfs/dbraw/zinc/08/71/59/597087159.db2.gz SCXHVDUBGKYVGO-NSHDSACASA-N 0 1 376.350 2.647 20 0 GFADMN O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822997547 607315203 /nfs/dbraw/zinc/31/52/03/607315203.db2.gz RSYOXDHIFZVRCS-UHFFFAOYSA-N 0 1 395.467 2.886 20 0 GFADMN CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620837 598158606 /nfs/dbraw/zinc/15/86/06/598158606.db2.gz UZZQWHDEGLEQBB-VQTJNVASSA-N 0 1 387.524 2.794 20 0 GFADMN CN(C[C@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(=O)OC(C)(C)C ZINC000736793758 598246958 /nfs/dbraw/zinc/24/69/58/598246958.db2.gz YZBSYTZAVCWGBM-CYBMUJFWSA-N 0 1 390.463 2.695 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nnn[n-]2)C1 ZINC000736227556 598344818 /nfs/dbraw/zinc/34/48/18/598344818.db2.gz LKORNERBJCEJBY-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nn[n-]n2)C1 ZINC000736227556 598344821 /nfs/dbraw/zinc/34/48/21/598344821.db2.gz LKORNERBJCEJBY-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN Clc1ccc(C2(C[NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)CCC2)cc1 ZINC000737570435 598397628 /nfs/dbraw/zinc/39/76/28/598397628.db2.gz HIBVFYVJJSDLLE-UHFFFAOYSA-N 0 1 394.870 2.774 20 0 GFADMN Clc1ccc(C2(C[NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)CCC2)cc1 ZINC000737570435 598397630 /nfs/dbraw/zinc/39/76/30/598397630.db2.gz HIBVFYVJJSDLLE-UHFFFAOYSA-N 0 1 394.870 2.774 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026461 598572059 /nfs/dbraw/zinc/57/20/59/598572059.db2.gz OEQDOIGHUBPVBN-SNVBAGLBSA-N 0 1 375.889 2.835 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[N@H+]1CCc2sccc2C1 ZINC000736026461 598572061 /nfs/dbraw/zinc/57/20/61/598572061.db2.gz OEQDOIGHUBPVBN-SNVBAGLBSA-N 0 1 375.889 2.835 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026461 598572062 /nfs/dbraw/zinc/57/20/62/598572062.db2.gz OEQDOIGHUBPVBN-SNVBAGLBSA-N 0 1 375.889 2.835 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@H+]1CCc2sccc2C1 ZINC000736026461 598572064 /nfs/dbraw/zinc/57/20/64/598572064.db2.gz OEQDOIGHUBPVBN-SNVBAGLBSA-N 0 1 375.889 2.835 20 0 GFADMN O=c1[nH]nc(SCc2ccc(F)cc2-c2nn[nH]n2)n1CCc1ccccc1 ZINC000738372874 598643768 /nfs/dbraw/zinc/64/37/68/598643768.db2.gz XJFLFNBVWFWMQB-UHFFFAOYSA-N 0 1 397.439 2.838 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735636583 598681249 /nfs/dbraw/zinc/68/12/49/598681249.db2.gz ZRIUNWXLEDMCIZ-HNNXBMFYSA-N 0 1 390.463 2.885 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c(F)c1 ZINC000822267547 607378029 /nfs/dbraw/zinc/37/80/29/607378029.db2.gz ZXDHIAPAOZJQND-UHFFFAOYSA-N 0 1 391.428 2.902 20 0 GFADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccsc1 ZINC000735521370 599561491 /nfs/dbraw/zinc/56/14/91/599561491.db2.gz UHRIPAKDDHONEL-OAHLLOKOSA-N 0 1 396.520 2.766 20 0 GFADMN Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419991 599585002 /nfs/dbraw/zinc/58/50/02/599585002.db2.gz GMKCRWJCBQZNJS-WBVHZDCISA-N 0 1 376.464 2.992 20 0 GFADMN C[C@H]1c2c(F)cccc2CCN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820818758 599639229 /nfs/dbraw/zinc/63/92/29/599639229.db2.gz BDGFPYMJOASWPS-ZDUSSCGKSA-N 0 1 380.427 2.954 20 0 GFADMN CC(C)[N@H+]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000736803635 599772900 /nfs/dbraw/zinc/77/29/00/599772900.db2.gz ZTLBCARBTULGAT-AWEZNQCLSA-N 0 1 393.553 2.926 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952970 599784448 /nfs/dbraw/zinc/78/44/48/599784448.db2.gz YPJMFQMWDYMTPI-CVEARBPZSA-N 0 1 389.496 2.649 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952970 599784450 /nfs/dbraw/zinc/78/44/50/599784450.db2.gz YPJMFQMWDYMTPI-CVEARBPZSA-N 0 1 389.496 2.649 20 0 GFADMN C[NH+]1CCN([C@@H](C(=O)Nc2ccc(CCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737516563 599811032 /nfs/dbraw/zinc/81/10/32/599811032.db2.gz ZKSHUIPEGXZXDY-OAQYLSRUSA-N 0 1 381.476 2.631 20 0 GFADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000184879394 599812006 /nfs/dbraw/zinc/81/20/06/599812006.db2.gz BNVWIOKEMLGHHG-OAHLLOKOSA-N 0 1 394.518 2.870 20 0 GFADMN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736743063 599841070 /nfs/dbraw/zinc/84/10/70/599841070.db2.gz VSLSEQSVPUXFHR-XMSQKQJNSA-N 0 1 395.459 2.894 20 0 GFADMN O=C([O-])c1ncn(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000740284947 599842256 /nfs/dbraw/zinc/84/22/56/599842256.db2.gz PSSJBPGHLFIZAC-LBPRGKRZSA-N 0 1 388.815 2.517 20 0 GFADMN O=C([O-])c1ncn(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000740284947 599842257 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OKKOJZLUNYGQTN-UKRRQHHQSA-N 0 1 393.553 2.926 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738310792 601029098 /nfs/dbraw/zinc/02/90/98/601029098.db2.gz AFXNDWCGYRHAPR-INIZCTEOSA-N 0 1 395.459 2.982 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738310792 601029101 /nfs/dbraw/zinc/02/91/01/601029101.db2.gz AFXNDWCGYRHAPR-INIZCTEOSA-N 0 1 395.459 2.982 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000736130063 601114310 /nfs/dbraw/zinc/11/43/10/601114310.db2.gz JPAWIDUMDRLTBH-AWEZNQCLSA-N 0 1 375.425 2.712 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000736130063 601114312 /nfs/dbraw/zinc/11/43/12/601114312.db2.gz JPAWIDUMDRLTBH-AWEZNQCLSA-N 0 1 375.425 2.712 20 0 GFADMN O=C([O-])c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000833327485 601184185 /nfs/dbraw/zinc/18/41/85/601184185.db2.gz NYTROUAKLWBELH-JOCHJYFZSA-N 0 1 379.460 2.908 20 0 GFADMN 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OCRIJRSLSSBIKO-IRXDYDNUSA-N 0 1 397.903 2.512 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C[C@H]1C(=O)[O-] ZINC000828430875 601528061 /nfs/dbraw/zinc/52/80/61/601528061.db2.gz DYGFIFBTTCHTDO-NFAWXSAZSA-N 0 1 387.461 2.671 20 0 GFADMN Cc1csc2nc(C[N@H+]3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])cc(=O)n12 ZINC000832989208 601539842 /nfs/dbraw/zinc/53/98/42/601539842.db2.gz FAMJQHAMMARZHD-GDBMZVCRSA-N 0 1 375.494 2.920 20 0 GFADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833106221 601540767 /nfs/dbraw/zinc/54/07/67/601540767.db2.gz PCAIQTIHLAKFJF-SUMWQHHRSA-N 0 1 386.452 2.562 20 0 GFADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000833106221 601540768 /nfs/dbraw/zinc/54/07/68/601540768.db2.gz PCAIQTIHLAKFJF-SUMWQHHRSA-N 0 1 386.452 2.562 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1C(=O)[O-] ZINC000828437726 601542102 /nfs/dbraw/zinc/54/21/02/601542102.db2.gz AVUSZCYJLMZHQT-WMLDXEAASA-N 0 1 385.489 2.965 20 0 GFADMN CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C1 ZINC000828424234 601685743 /nfs/dbraw/zinc/68/57/43/601685743.db2.gz OMFRDPAMDGWSEZ-DOMZBBRYSA-N 0 1 390.871 2.725 20 0 GFADMN CC(C)(CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000826576117 601685795 /nfs/dbraw/zinc/68/57/95/601685795.db2.gz FVRKTSJAEUHDHB-AWEZNQCLSA-N 0 1 387.402 2.690 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000828257497 601712016 /nfs/dbraw/zinc/71/20/16/601712016.db2.gz DNAMTUPJYJKEQD-YWZLYKJASA-N 0 1 378.444 2.579 20 0 GFADMN CCc1nc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000830309594 601730291 /nfs/dbraw/zinc/73/02/91/601730291.db2.gz JOHRPHQYXVGXJZ-FQEVSTJZSA-N 0 1 387.505 2.863 20 0 GFADMN COc1ccc(F)cc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832378367 601740299 /nfs/dbraw/zinc/74/02/99/601740299.db2.gz LAWMQLGNYLYXMZ-NRFANRHFSA-N 0 1 386.423 2.684 20 0 GFADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000826881197 601767107 /nfs/dbraw/zinc/76/71/07/601767107.db2.gz IKRTWMOVZITHFK-OAHLLOKOSA-N 0 1 398.507 2.912 20 0 GFADMN C[C@@H]1C[N@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828303474 601815967 /nfs/dbraw/zinc/81/59/67/601815967.db2.gz SOVOWDOHFUVLKL-HIFRSBDPSA-N 0 1 379.530 2.595 20 0 GFADMN C[C@@H]1C[N@@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828303474 601815969 /nfs/dbraw/zinc/81/59/69/601815969.db2.gz SOVOWDOHFUVLKL-HIFRSBDPSA-N 0 1 379.530 2.595 20 0 GFADMN CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2c[nH]c(C(=O)[O-])c2)c2ccccc2)c1 ZINC000832725814 601834486 /nfs/dbraw/zinc/83/44/86/601834486.db2.gz WYUGGSXHXOMNCY-IBGZPJMESA-N 0 1 384.457 2.996 20 0 GFADMN COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccsc3C(=O)[O-])C2=O)c1 ZINC000832088035 601839136 /nfs/dbraw/zinc/83/91/36/601839136.db2.gz ICKXXIGBRYAPRT-MRXNPFEDSA-N 0 1 390.461 2.701 20 0 GFADMN COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccsc3C(=O)[O-])C2=O)c1 ZINC000832088035 601839138 /nfs/dbraw/zinc/83/91/38/601839138.db2.gz ICKXXIGBRYAPRT-MRXNPFEDSA-N 0 1 390.461 2.701 20 0 GFADMN CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)c1 ZINC000662217649 601842078 /nfs/dbraw/zinc/84/20/78/601842078.db2.gz HRYWXIVOWGYHSP-UHFFFAOYSA-N 0 1 389.496 2.684 20 0 GFADMN C[C@@H](CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000738899546 601851708 /nfs/dbraw/zinc/85/17/08/601851708.db2.gz ONQSKGCFAZEWRR-SUMWQHHRSA-N 0 1 387.402 2.603 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])cn1 ZINC000740235230 601881535 /nfs/dbraw/zinc/88/15/35/601881535.db2.gz BLQMRBVMOYKBNK-IKGGRYGDSA-N 0 1 383.452 2.503 20 0 GFADMN COc1ccc(OC)c([C@@H](O)C[N@@H+](C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832431177 601907113 /nfs/dbraw/zinc/90/71/13/601907113.db2.gz MPESFTJDBDNINS-YJBOKZPZSA-N 0 1 399.365 2.912 20 0 GFADMN 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/nfs/dbraw/zinc/16/88/08/605168808.db2.gz XYSSWOPJWKGRQG-ZDUSSCGKSA-N 0 1 386.414 2.990 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000833554012 605191493 /nfs/dbraw/zinc/19/14/93/605191493.db2.gz LRPQDKXQAREJQU-MAUKXSAKSA-N 0 1 384.398 2.993 20 0 GFADMN CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000833391871 605235892 /nfs/dbraw/zinc/23/58/92/605235892.db2.gz XPNKGINKKLHWEG-UHFFFAOYSA-N 0 1 396.447 2.693 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CC[N@@H+]1CCC(=O)[O-] ZINC000833621027 605276688 /nfs/dbraw/zinc/27/66/88/605276688.db2.gz JAPBECRJLLETKR-MRXNPFEDSA-N 0 1 380.444 2.539 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621027 605276689 /nfs/dbraw/zinc/27/66/89/605276689.db2.gz JAPBECRJLLETKR-MRXNPFEDSA-N 0 1 380.444 2.539 20 0 GFADMN C[C@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833626516 605277396 /nfs/dbraw/zinc/27/73/96/605277396.db2.gz 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20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000833683954 605428722 /nfs/dbraw/zinc/42/87/22/605428722.db2.gz XLBCXJFNGJHQPJ-DZGCQCFKSA-N 0 1 392.477 2.654 20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000833683954 605428727 /nfs/dbraw/zinc/42/87/27/605428727.db2.gz XLBCXJFNGJHQPJ-DZGCQCFKSA-N 0 1 392.477 2.654 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H]1C(=O)[O-] ZINC000833622107 605429635 /nfs/dbraw/zinc/42/96/35/605429635.db2.gz MEMLMCOGTFNJLZ-YHUYVZNPSA-N 0 1 385.508 2.649 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]21 ZINC000834188996 605445180 /nfs/dbraw/zinc/44/51/80/605445180.db2.gz RKNKODRSYTXJOG-BVUBDWEXSA-N 0 1 383.286 2.851 20 0 GFADMN CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826758993 605448191 /nfs/dbraw/zinc/44/81/91/605448191.db2.gz UUHSLXHBUAUTPS-DLBZAZTESA-N 0 1 385.468 2.705 20 0 GFADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833622651 605457295 /nfs/dbraw/zinc/45/72/95/605457295.db2.gz MVVADEFAZWVCAJ-AXYPVASZSA-N 0 1 395.450 2.851 20 0 GFADMN CC(C)[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000833622651 605457298 /nfs/dbraw/zinc/45/72/98/605457298.db2.gz MVVADEFAZWVCAJ-AXYPVASZSA-N 0 1 395.450 2.851 20 0 GFADMN O=C([O-])N1CCC(CC[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000834077594 605476299 /nfs/dbraw/zinc/47/62/99/605476299.db2.gz FZEPDUBUWIAEJC-UHFFFAOYSA-N 0 1 377.460 2.754 20 0 GFADMN CCC[N@@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826902508 605480315 /nfs/dbraw/zinc/48/03/15/605480315.db2.gz CZVJEONFAQFSLH-UHFFFAOYSA-N 0 1 391.468 2.575 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000571651254 605516401 /nfs/dbraw/zinc/51/64/01/605516401.db2.gz NRRRZTUHBKTEBL-RRQGHBQHSA-N 0 1 381.423 2.605 20 0 GFADMN 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CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])ccc1OC ZINC000833641422 605728364 /nfs/dbraw/zinc/72/83/64/605728364.db2.gz YKUPJFJSMVEJFG-BPUTZDHNSA-N 0 1 379.453 2.711 20 0 GFADMN C[C@@](O)(CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000833524668 605757602 /nfs/dbraw/zinc/75/76/02/605757602.db2.gz KZGUSROFPHFEDX-DHIUTWEWSA-N 0 1 396.487 2.520 20 0 GFADMN O=C([O-])N1CC[C@H]([N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)C1 ZINC000834045117 605778272 /nfs/dbraw/zinc/77/82/72/605778272.db2.gz NRVWMRZFEVOEHC-SFHVURJKSA-N 0 1 383.448 2.926 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833468095 605785607 /nfs/dbraw/zinc/78/56/07/605785607.db2.gz MOKJYQPKUGYNNT-RCBQFDQVSA-N 0 1 385.867 2.880 20 0 GFADMN Cc1sc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])nc(N)c2c1C ZINC000833938132 605809267 /nfs/dbraw/zinc/80/92/67/605809267.db2.gz VJQBPJWLMPCNML-FUNVUKJBSA-N 0 1 375.498 2.996 20 0 GFADMN 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COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@H](NC(=O)[O-])C3)ccc2c1 ZINC000739938019 605929886 /nfs/dbraw/zinc/92/98/86/605929886.db2.gz QSCVIQZUQWXADB-KDOFPFPSSA-N 0 1 385.464 2.537 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)[O-])cc1F ZINC000833919622 605967765 /nfs/dbraw/zinc/96/77/65/605967765.db2.gz ZYLLWWVXUIDKBP-HNNXBMFYSA-N 0 1 389.431 2.652 20 0 GFADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)s3)CC[N@@H+]2C)cc1 ZINC000821782262 606178654 /nfs/dbraw/zinc/17/86/54/606178654.db2.gz CHTBSXFETWGUBI-GUYCJALGSA-N 0 1 399.476 2.787 20 0 GFADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nnn[n-]4)s3)CC[N@H+]2C)cc1 ZINC000821782262 606178656 /nfs/dbraw/zinc/17/86/56/606178656.db2.gz CHTBSXFETWGUBI-GUYCJALGSA-N 0 1 399.476 2.787 20 0 GFADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)s3)CC[N@@H+]2C)cc1 ZINC000821782262 606178658 /nfs/dbraw/zinc/17/86/58/606178658.db2.gz CHTBSXFETWGUBI-GUYCJALGSA-N 0 1 399.476 2.787 20 0 GFADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(-c4nn[n-]n4)s3)CC[N@H+]2C)cc1 ZINC000821782262 606178660 /nfs/dbraw/zinc/17/86/60/606178660.db2.gz CHTBSXFETWGUBI-GUYCJALGSA-N 0 1 399.476 2.787 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H]2CCCC[C@H]12 ZINC000820723128 606189166 /nfs/dbraw/zinc/18/91/66/606189166.db2.gz WMDSXKZQZLYQKY-ZTFGCOKTSA-N 0 1 389.525 2.541 20 0 GFADMN CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821189101 606196693 /nfs/dbraw/zinc/19/66/93/606196693.db2.gz HVRPNLBXVJBNSV-AWEZNQCLSA-N 0 1 399.499 2.799 20 0 GFADMN CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821189101 606196694 /nfs/dbraw/zinc/19/66/94/606196694.db2.gz HVRPNLBXVJBNSV-AWEZNQCLSA-N 0 1 399.499 2.799 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420453 606297888 /nfs/dbraw/zinc/29/78/88/606297888.db2.gz RHPVYSVAPLXMRY-LKFCYVNXSA-N 0 1 390.419 2.663 20 0 GFADMN O=S(=O)(CCNCc1csc2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562894 606310271 /nfs/dbraw/zinc/31/02/71/606310271.db2.gz WPMJQYOFGADMTF-UHFFFAOYSA-N 0 1 399.501 2.645 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(n2cccn2)CC1 ZINC000822732624 606491286 /nfs/dbraw/zinc/49/12/86/606491286.db2.gz MSMACEQNKQFJLX-UHFFFAOYSA-N 0 1 375.383 2.502 20 0 GFADMN O=C(Nc1nnc(-c2ccco2)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823383667 606668177 /nfs/dbraw/zinc/66/81/77/606668177.db2.gz WZYZLMPVBZLZLV-UHFFFAOYSA-N 0 1 375.320 2.509 20 0 GFADMN C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414259 606712074 /nfs/dbraw/zinc/71/20/74/606712074.db2.gz XEWARBWOHBRLJK-BDJLRTHQSA-N 0 1 384.390 2.601 20 0 GFADMN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229260 606716353 /nfs/dbraw/zinc/71/63/53/606716353.db2.gz QESGHZCPKATQFB-IAQYHMDHSA-N 0 1 386.456 2.832 20 0 GFADMN Cc1nc2sccn2c1CN(C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000822467620 606789752 /nfs/dbraw/zinc/78/97/52/606789752.db2.gz QCLZIOGXXYIOJE-UHFFFAOYSA-N 0 1 378.465 2.769 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000822146224 606793404 /nfs/dbraw/zinc/79/34/04/606793404.db2.gz WMMZPEJZCTTZJP-UHFFFAOYSA-N 0 1 375.392 2.621 20 0 GFADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000821589497 606820348 /nfs/dbraw/zinc/82/03/48/606820348.db2.gz PUVKGFGTRYWDSG-UHFFFAOYSA-N 0 1 394.460 2.887 20 0 GFADMN CN(Cc1ccccc1OC(F)(F)F)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615563 606850668 /nfs/dbraw/zinc/85/06/68/606850668.db2.gz CFSIURKXXLOOTF-OAHLLOKOSA-N 0 1 393.369 2.931 20 0 GFADMN FC(F)(F)c1cc(N[C@H]2CCCC[C@H]2N2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723792 606877046 /nfs/dbraw/zinc/87/70/46/606877046.db2.gz OMHMSYOCHQWRNI-JKSUJKDBSA-N 0 1 396.417 2.941 20 0 GFADMN FC(F)(F)c1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723791 606877212 /nfs/dbraw/zinc/87/72/12/606877212.db2.gz OMHMSYOCHQWRNI-HZPDHXFCSA-N 0 1 396.417 2.941 20 0 GFADMN CCc1nnc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821523011 606921903 /nfs/dbraw/zinc/92/19/03/606921903.db2.gz QDDOQDUIDIVJST-QLFBSQMISA-N 0 1 384.532 2.623 20 0 GFADMN CC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1)N(C)C ZINC000820843340 607021487 /nfs/dbraw/zinc/02/14/87/607021487.db2.gz WPYOLZFJPUHBJB-QGZVFWFLSA-N 0 1 398.442 2.864 20 0 GFADMN CN(Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821607669 607066336 /nfs/dbraw/zinc/06/63/36/607066336.db2.gz YVKSJIYBXGKBBY-GOSISDBHSA-N 0 1 380.427 2.633 20 0 GFADMN CC[C@@H](CSc1ccccc1)N[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128262 607784477 /nfs/dbraw/zinc/78/44/77/607784477.db2.gz SIDUWKAKXGIMOH-DOTOQJQBSA-N 0 1 382.493 2.554 20 0 GFADMN CC(C)c1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347858 607815225 /nfs/dbraw/zinc/81/52/25/607815225.db2.gz PSSLEGSWORIMSC-UHFFFAOYSA-N 0 1 385.493 2.554 20 0 GFADMN Cc1cccc(Cl)c1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000826298258 607932107 /nfs/dbraw/zinc/93/21/07/607932107.db2.gz KZUATUYYFGUXCJ-UHFFFAOYSA-N 0 1 394.822 2.782 20 0 GFADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187739 608064594 /nfs/dbraw/zinc/06/45/94/608064594.db2.gz DAULWRPESXREQB-CTNGQTDRSA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187739 608064595 /nfs/dbraw/zinc/06/45/95/608064595.db2.gz DAULWRPESXREQB-CTNGQTDRSA-N 0 1 397.454 2.887 20 0 GFADMN Cc1cc(C)cc([C@H]2CCN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264456 608128505 /nfs/dbraw/zinc/12/85/05/608128505.db2.gz PDACXTJDVHHHCE-KRWDZBQOSA-N 0 1 376.464 2.912 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CCN1C ZINC000824859264 608202229 /nfs/dbraw/zinc/20/22/29/608202229.db2.gz OYLBLUNUPMPJEN-GJZGRUSLSA-N 0 1 392.463 2.824 20 0 GFADMN O=C(c1ccc(Br)c(O)c1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826472639 608206377 /nfs/dbraw/zinc/20/63/77/608206377.db2.gz RFLRBNSNIZVDED-UHFFFAOYSA-N 0 1 386.209 2.538 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2cccnc2)CC1 ZINC000824047077 608208057 /nfs/dbraw/zinc/20/80/57/608208057.db2.gz WRJJDXNXJFGCEN-HNNXBMFYSA-N 0 1 391.479 2.543 20 0 GFADMN CN1CCO[C@@H]([C@@H](NCc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044878 608243097 /nfs/dbraw/zinc/24/30/97/608243097.db2.gz LPWIYGGQJIPYJP-MOPGFXCFSA-N 0 1 398.898 2.682 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1-c1nn[nH]n1 ZINC000826304104 608267668 /nfs/dbraw/zinc/26/76/68/608267668.db2.gz WICMNWGSYCNIOX-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN COCC[N@H+](C)CCCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826157895 608304074 /nfs/dbraw/zinc/30/40/74/608304074.db2.gz QESPEQXSGVNLEH-UHFFFAOYSA-N 0 1 399.952 2.551 20 0 GFADMN COCC[N@@H+](C)CCCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826157895 608304076 /nfs/dbraw/zinc/30/40/76/608304076.db2.gz QESPEQXSGVNLEH-UHFFFAOYSA-N 0 1 399.952 2.551 20 0 GFADMN COCC[N@H+](C)CCCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826157895 608304077 /nfs/dbraw/zinc/30/40/77/608304077.db2.gz QESPEQXSGVNLEH-UHFFFAOYSA-N 0 1 399.952 2.551 20 0 GFADMN COCC[N@@H+](C)CCCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826157895 608304079 /nfs/dbraw/zinc/30/40/79/608304079.db2.gz QESPEQXSGVNLEH-UHFFFAOYSA-N 0 1 399.952 2.551 20 0 GFADMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324404 608438129 /nfs/dbraw/zinc/43/81/29/608438129.db2.gz NTEGJAHGTGAGFA-AWEZNQCLSA-N 0 1 380.452 2.943 20 0 GFADMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654119 608458218 /nfs/dbraw/zinc/45/82/18/608458218.db2.gz OUBBKDCCYDOUEL-KRWDZBQOSA-N 0 1 380.452 2.945 20 0 GFADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435176 608461586 /nfs/dbraw/zinc/46/15/86/608461586.db2.gz OIBVHDJLMKMGNR-JKSUJKDBSA-N 0 1 378.480 2.955 20 0 GFADMN O[C@H](CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000826502513 608463401 /nfs/dbraw/zinc/46/34/01/608463401.db2.gz FHGWMLNXRVHMNJ-LJQANCHMSA-N 0 1 383.402 2.968 20 0 GFADMN CN(C)Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825870624 608478708 /nfs/dbraw/zinc/47/87/08/608478708.db2.gz VLTLENREWHLHFW-UHFFFAOYSA-N 0 1 394.504 2.919 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826208503 608530893 /nfs/dbraw/zinc/53/08/93/608530893.db2.gz NMYHHSOEYYUXSD-UHFFFAOYSA-N 0 1 398.854 2.746 20 0 GFADMN COc1cccc(F)c1[C@@H](C)NCCOc1ccc(-c2nn[nH]n2)cc1OC ZINC000826176148 608538382 /nfs/dbraw/zinc/53/83/82/608538382.db2.gz DEVYCBXKEPKYQH-GFCCVEGCSA-N 0 1 387.415 2.753 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@H](Oc2ccccc2)C1 ZINC000826522807 608602636 /nfs/dbraw/zinc/60/26/36/608602636.db2.gz PHGSAQUUGJVJHP-SFHVURJKSA-N 0 1 375.436 2.558 20 0 GFADMN c1nn2ccccc2c1CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826517692 608603968 /nfs/dbraw/zinc/60/39/68/608603968.db2.gz LXCDLDDBXQLLCK-UHFFFAOYSA-N 0 1 375.436 2.558 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@@H](C)CN1C ZINC000824975380 608634299 /nfs/dbraw/zinc/63/42/99/608634299.db2.gz JZRFBCKSAVVONG-CABCVRRESA-N 0 1 376.464 2.698 20 0 GFADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824764900 608644168 /nfs/dbraw/zinc/64/41/68/608644168.db2.gz ZQFVFVFUDLMJBD-ZDUSSCGKSA-N 0 1 378.415 2.780 20 0 GFADMN Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826287747 608655714 /nfs/dbraw/zinc/65/57/14/608655714.db2.gz AWVJJCPGBYCWIV-UHFFFAOYSA-N 0 1 396.520 2.765 20 0 GFADMN Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826287747 608655715 /nfs/dbraw/zinc/65/57/15/608655715.db2.gz AWVJJCPGBYCWIV-UHFFFAOYSA-N 0 1 396.520 2.765 20 0 GFADMN Cc1nc(C2CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)sc1C ZINC000826324770 608664155 /nfs/dbraw/zinc/66/41/55/608664155.db2.gz DHMAVUJRSDDDIE-UHFFFAOYSA-N 0 1 394.508 2.967 20 0 GFADMN CN(CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1)C(=O)OC(C)(C)C ZINC000825908612 608681124 /nfs/dbraw/zinc/68/11/24/608681124.db2.gz JZEHOKKXECSJSA-UHFFFAOYSA-N 0 1 376.461 2.539 20 0 GFADMN CCn1nc(C)c(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000825807632 608681215 /nfs/dbraw/zinc/68/12/15/608681215.db2.gz SPXWWGGUBZIFAF-UHFFFAOYSA-N 0 1 381.484 2.743 20 0 GFADMN O=C1[C@H](NCc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476794 609140545 /nfs/dbraw/zinc/14/05/45/609140545.db2.gz PKLVHZNSEFDDPD-MRXNPFEDSA-N 0 1 386.818 2.554 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547400 609142365 /nfs/dbraw/zinc/14/23/65/609142365.db2.gz NXMMDJYDVQFVRA-ACJLOTCBSA-N 0 1 380.427 2.852 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000826175475 609149362 /nfs/dbraw/zinc/14/93/62/609149362.db2.gz GQKVFLKMZSCLFU-WCQYABFASA-N 0 1 385.390 2.917 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547612 609168801 /nfs/dbraw/zinc/16/88/01/609168801.db2.gz QMAPQPGUHDLWBE-SGTLLEGYSA-N 0 1 398.417 2.991 20 0 GFADMN CCc1cccnc1[C@H](C)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728645 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2.974 20 0 GFADMN c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cccc(-c5nn[n-]n5)n4)[C@H]3C2)cc1 ZINC000826521166 609595221 /nfs/dbraw/zinc/59/52/21/609595221.db2.gz CFCVDJZSEFCKHP-BZSNNMDCSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4cccc(-c5nn[n-]n5)n4)[C@H]3C2)cc1 ZINC000826521166 609595222 /nfs/dbraw/zinc/59/52/22/609595222.db2.gz CFCVDJZSEFCKHP-BZSNNMDCSA-N 0 1 375.480 2.974 20 0 GFADMN O=C(NCCCc1nc[nH]n1)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000500243804 650373653 /nfs/dbraw/zinc/37/36/53/650373653.db2.gz BALBJZXOSIJAJJ-UHFFFAOYSA-N 0 1 381.824 2.870 20 0 GFADMN Fc1ccc2nc(CCNc3ncc(I)cn3)[nH]c2c1 ZINC000545208267 650965168 /nfs/dbraw/zinc/96/51/68/650965168.db2.gz QNNDRSSMRBIWPE-UHFFFAOYSA-N 0 1 383.168 2.751 20 0 GFADMN O=C(c1cccc(I)c1O)N1CC[C@H](O)C12CCCC2 ZINC000817576329 660201212 /nfs/dbraw/zinc/20/12/12/660201212.db2.gz WDPAUBNAKJZRDW-LBPRGKRZSA-N 0 1 387.217 2.516 20 0 GFADMN C[C@@H]1C[C@H](NC[C@H](O)c2ccc(Cl)cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000819123547 660247237 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ZINC000872467476 662769997 /nfs/dbraw/zinc/76/99/97/662769997.db2.gz KBSAXURHPWYHKT-QHCPKHFHSA-N 0 1 378.564 2.612 20 0 GFADMN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000872471265 662770544 /nfs/dbraw/zinc/77/05/44/662770544.db2.gz MQJMMLSXXFCGLJ-JCQPUDPBSA-N 0 1 378.491 2.770 20 0 GFADMN C[C@@H](CO[C@H]1CCOC1)NCc1cccc(F)c1I ZINC000873074649 662798833 /nfs/dbraw/zinc/79/88/33/662798833.db2.gz OAFVXTLAILVJOY-JQWIXIFHSA-N 0 1 379.213 2.714 20 0 GFADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccccc3Br)C2)cn1 ZINC000873645168 662811193 /nfs/dbraw/zinc/81/11/93/662811193.db2.gz UZTUDORMLINPPO-ZIAGYGMSSA-N 0 1 378.270 2.873 20 0 GFADMN CC[C@@H](NC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1)c1nc(C)cs1 ZINC000875242675 662843841 /nfs/dbraw/zinc/84/38/41/662843841.db2.gz OLCDFJGWNFRFQJ-QMTHXVAHSA-N 0 1 378.420 2.755 20 0 GFADMN C[C@H](NC(=O)c1[nH]nc2c1CNCC2)c1cc(F)c(Br)cc1F ZINC000876999917 662869517 /nfs/dbraw/zinc/86/95/17/662869517.db2.gz HOYZZYCJWOXVGW-ZETCQYMHSA-N 0 1 385.212 2.587 20 0 GFADMN COC(=O)c1ccc(CNC[C@H]2CC3(CO2)CCOCC3)c(Br)c1 ZINC000877728632 662882537 /nfs/dbraw/zinc/88/25/37/662882537.db2.gz IAMUVDKYPBXDHJ-OAHLLOKOSA-N 0 1 398.297 2.911 20 0 GFADMN COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N[C@@H](CCO)c1cccs1 ZINC000878409341 662895611 /nfs/dbraw/zinc/89/56/11/662895611.db2.gz KCBPNARBDGTXGW-NEPJUHHUSA-N 0 1 382.507 2.945 20 0 GFADMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C[C@@H](O)c2ccc(Br)cc2)O1 ZINC000878565334 662898872 /nfs/dbraw/zinc/89/88/72/662898872.db2.gz JGIDSQFGQRYSPT-JCGSOOFXSA-N 0 1 398.297 2.666 20 0 GFADMN O[C@H](CN1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764474 662904533 /nfs/dbraw/zinc/90/45/33/662904533.db2.gz HDKKQDUYYBWUTJ-BZUAXINKSA-N 0 1 395.297 2.929 20 0 GFADMN Cn1nc(C(F)(F)F)c(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1Cl ZINC000878869751 662907869 /nfs/dbraw/zinc/90/78/69/662907869.db2.gz MTXOPVREROVSPO-DGCLKSJQSA-N 0 1 381.826 2.892 20 0 GFADMN CN(C[C@@H](O)c1cc(Br)no1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000878885329 662908560 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ZINC000881472273 662995318 /nfs/dbraw/zinc/99/53/18/662995318.db2.gz NWWOUDQWFSBCSH-AWEZNQCLSA-N 0 1 383.286 2.528 20 0 GFADMN O=C(NC1CCC2(COC2)CC1)c1cccc(I)c1O ZINC000882767153 663041005 /nfs/dbraw/zinc/04/10/05/663041005.db2.gz CZDNWZGLDCUTTN-UHFFFAOYSA-N 0 1 387.217 2.686 20 0 GFADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1ccc2c[nH]nc2c1 ZINC000883231412 663051754 /nfs/dbraw/zinc/05/17/54/663051754.db2.gz JMCYLXXPCWCDIZ-CYBMUJFWSA-N 0 1 379.873 2.693 20 0 GFADMN COC(=O)c1cc(CNCc2cnc3ccc(Br)cn23)n(C)c1C ZINC000883343806 663053656 /nfs/dbraw/zinc/05/36/56/663053656.db2.gz AMTCRVQJIKRGRH-UHFFFAOYSA-N 0 1 391.269 2.820 20 0 GFADMN C[C@@H]1CNCCN1C(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884018042 663063841 /nfs/dbraw/zinc/06/38/41/663063841.db2.gz LXATZFMZBPQAFB-SECBINFHSA-N 0 1 386.340 2.997 20 0 GFADMN N[C@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000884060128 663064410 /nfs/dbraw/zinc/06/44/10/663064410.db2.gz PIVUNRFGHLGJNG-PXAZEXFGSA-N 0 1 375.266 2.816 20 0 GFADMN COc1ccc(CCNC(=O)[C@H](N)c2ccc(Br)cc2)c(OC)c1 ZINC000884101265 663065131 /nfs/dbraw/zinc/06/51/31/663065131.db2.gz SLTIKHYURHSZPD-QGZVFWFLSA-N 0 1 393.281 2.825 20 0 GFADMN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884114099 663065397 /nfs/dbraw/zinc/06/53/97/663065397.db2.gz IHJCHCNINDOMQP-CXAGYDPISA-N 0 1 396.329 2.604 20 0 GFADMN CCOC(=O)c1ccc(CNC(=O)[C@H](N)c2ccc(Br)cc2)o1 ZINC000884133021 663065737 /nfs/dbraw/zinc/06/57/37/663065737.db2.gz JCUVCPOASPOWSV-CQSZACIVSA-N 0 1 381.226 2.535 20 0 GFADMN N[C@H](C(=O)NCc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000884164839 663066310 /nfs/dbraw/zinc/06/63/10/663066310.db2.gz RSHHZBRXCZLLCB-LBPRGKRZSA-N 0 1 391.191 2.524 20 0 GFADMN COCCN(Cc1cccnc1)C(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884309744 663068561 /nfs/dbraw/zinc/06/85/61/663068561.db2.gz DMZHYGWLDINWAW-MRXNPFEDSA-N 0 1 378.270 2.519 20 0 GFADMN Cc1cc(Br)ccc1CS(=O)(=O)N(C)C1CCN(C)CC1 ZINC000884870872 663076804 /nfs/dbraw/zinc/07/68/04/663076804.db2.gz UDCHXEUBSIPOIW-UHFFFAOYSA-N 0 1 375.332 2.613 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)O[C@H](C(N)=O)c1cccc(Br)c1 ZINC000885258456 663087697 /nfs/dbraw/zinc/08/76/97/663087697.db2.gz HNHGEKBEBUQONM-NKZPBKNFSA-N 0 1 392.253 2.608 20 0 GFADMN O=C(NC[C@@H]1CCN1C1CCOCC1)c1c(Cl)nccc1C(F)(F)F ZINC000885880019 663100156 /nfs/dbraw/zinc/10/01/56/663100156.db2.gz LPHXNCLPKQKDAX-NSHDSACASA-N 0 1 377.794 2.737 20 0 GFADMN CC[C@@H]1C(=O)NCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000886510791 663113168 /nfs/dbraw/zinc/11/31/68/663113168.db2.gz ZEDZHEVMIKQCPK-GFCCVEGCSA-N 0 1 391.269 2.580 20 0 GFADMN O=c1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000886811267 663119733 /nfs/dbraw/zinc/11/97/33/663119733.db2.gz OTZDTSNTPBFBJS-HNNXBMFYSA-N 0 1 377.746 2.899 20 0 GFADMN O=c1cc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000886811267 663119737 /nfs/dbraw/zinc/11/97/37/663119737.db2.gz OTZDTSNTPBFBJS-HNNXBMFYSA-N 0 1 377.746 2.899 20 0 GFADMN O=C(Nc1nc2ccc(Cl)nc2s1)N1CCN(C2CCOCC2)CC1 ZINC000888784957 663215623 /nfs/dbraw/zinc/21/56/23/663215623.db2.gz LFXWJDYJDNTWAC-UHFFFAOYSA-N 0 1 381.889 2.673 20 0 GFADMN CN1CCN(C)CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000888977584 663227962 /nfs/dbraw/zinc/22/79/62/663227962.db2.gz HZGCEXMFXMATHM-UHFFFAOYSA-N 0 1 396.373 2.724 20 0 GFADMN Cn1c(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)n[nH]c1=O ZINC000889583819 663250879 /nfs/dbraw/zinc/25/08/79/663250879.db2.gz DQSMBRDOEHPCKO-CQSZACIVSA-N 0 1 375.479 2.501 20 0 GFADMN C[C@]1(CCC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)CCC(=O)N1 ZINC000889648105 663253911 /nfs/dbraw/zinc/25/39/11/663253911.db2.gz NXXVTERPELCYFV-HNNXBMFYSA-N 0 1 383.221 2.852 20 0 GFADMN Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1Br ZINC000889755860 663263752 /nfs/dbraw/zinc/26/37/52/663263752.db2.gz JBEPSDQMSYAHDF-KBPBESRZSA-N 0 1 385.277 2.568 20 0 GFADMN Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889782757 663266614 /nfs/dbraw/zinc/26/66/14/663266614.db2.gz SQSNDMULMRGZAJ-ZIAGYGMSSA-N 0 1 377.535 2.851 20 0 GFADMN C[C@](CO)(NC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(Br)c1 ZINC000890632407 663308978 /nfs/dbraw/zinc/30/89/78/663308978.db2.gz LJGATKSWBRQUDQ-CXAGYDPISA-N 0 1 378.270 2.616 20 0 GFADMN CCN1CCC(NC(=O)c2ccc(Br)nc2)(C(F)(F)F)CC1 ZINC000891207712 663329997 /nfs/dbraw/zinc/32/99/97/663329997.db2.gz HTUOUBMEEWNKAD-UHFFFAOYSA-N 0 1 380.208 2.991 20 0 GFADMN NCc1nc2c(s1)CCN(C(=O)NCc1cccc(Br)c1)C2 ZINC000891460586 663340305 /nfs/dbraw/zinc/34/03/05/663340305.db2.gz QSHNXIQXNWASMG-UHFFFAOYSA-N 0 1 381.299 2.632 20 0 GFADMN CN1CCN(C)CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000891664904 663346783 /nfs/dbraw/zinc/34/67/83/663346783.db2.gz GCYLDTIWOJBIJS-MRXNPFEDSA-N 0 1 382.961 2.766 20 0 GFADMN CO[C@@H](CNC(=O)N1CCc2sc(CN)nc2C1)c1ccccc1Cl ZINC000891686500 663347400 /nfs/dbraw/zinc/34/74/00/663347400.db2.gz HSOIGARXYUHYBM-AWEZNQCLSA-N 0 1 380.901 2.711 20 0 GFADMN O=C(c1ccsc1)N1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000891749788 663349257 /nfs/dbraw/zinc/34/92/57/663349257.db2.gz XQQWWODMRPJKLQ-UHFFFAOYSA-N 0 1 382.283 2.569 20 0 GFADMN CNS(=O)(=O)Cc1ccc(CNCc2cnc(CC(F)(F)F)s2)cc1 ZINC000892662234 663380232 /nfs/dbraw/zinc/38/02/32/663380232.db2.gz FNQIXVUMYHIEBX-UHFFFAOYSA-N 0 1 393.456 2.587 20 0 GFADMN Cc1nccc(N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1Br ZINC000893134013 663398036 /nfs/dbraw/zinc/39/80/36/663398036.db2.gz FCABGWBHCYEDIT-OAHLLOKOSA-N 0 1 375.270 2.573 20 0 GFADMN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000893181635 663400275 /nfs/dbraw/zinc/40/02/75/663400275.db2.gz FMFFTPZYCMXKHO-CYBMUJFWSA-N 0 1 399.310 2.892 20 0 GFADMN CC(C)(C)n1nc(Br)c2c1ncnc2NCCCc1nc[nH]n1 ZINC000893653834 663419279 /nfs/dbraw/zinc/41/92/79/663419279.db2.gz CZWAMLAVQVIRNY-UHFFFAOYSA-N 0 1 379.266 2.507 20 0 GFADMN C[C@H](NC1CCN(C=O)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000893976848 663435121 /nfs/dbraw/zinc/43/51/21/663435121.db2.gz TWEOMQWXYLUUKV-NSHDSACASA-N 0 1 379.258 2.771 20 0 GFADMN C[C@]1(Br)C[C@@H]1CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000894151950 663445906 /nfs/dbraw/zinc/44/59/06/663445906.db2.gz 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CC(C)n1cc(Br)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1 ZINC000906441288 663948189 /nfs/dbraw/zinc/94/81/89/663948189.db2.gz QOJODUSWDCHBRH-CQSZACIVSA-N 0 1 399.333 2.553 20 0 GFADMN COc1cccc(S(=O)(=O)N(CCN(C)C)Cc2ccsc2)c1OC ZINC000907241954 664015262 /nfs/dbraw/zinc/01/52/62/664015262.db2.gz JUSHXLYAAZDZGQ-UHFFFAOYSA-N 0 1 384.523 2.518 20 0 GFADMN Cc1cc(NC(=O)C2CCC(N3CCOCC3)CC2)cnc1Br ZINC000907311447 664022287 /nfs/dbraw/zinc/02/22/87/664022287.db2.gz BHFPEGDGRMZICA-UHFFFAOYSA-N 0 1 382.302 2.982 20 0 GFADMN Cc1ccc(I)cc1C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000907405603 664031951 /nfs/dbraw/zinc/03/19/51/664031951.db2.gz HLOANYKVDBCGIW-JTQLQIEISA-N 0 1 396.232 2.535 20 0 GFADMN O=C(C=Cc1csc(C(F)(F)F)c1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000907473218 664037957 /nfs/dbraw/zinc/03/79/57/664037957.db2.gz RJLIZGHRVOQWKD-JKERVTFKSA-N 0 1 375.401 2.610 20 0 GFADMN CCc1cc2c(CC(=O)N3CCSC[C@@H]3c3nn[nH]n3)csc2s1 ZINC000907474326 664038099 /nfs/dbraw/zinc/03/80/99/664038099.db2.gz GVBUQGOZGDOLJF-GFCCVEGCSA-N 0 1 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C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(=O)[O-] ZINC000910988564 664232406 /nfs/dbraw/zinc/23/24/06/664232406.db2.gz RFYHSVVGXOINEU-NWANDNLSSA-N 0 1 380.535 2.561 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1csc(Br)c1 ZINC000911279997 664241846 /nfs/dbraw/zinc/24/18/46/664241846.db2.gz NRSKZGUJFKPGEE-LBPRGKRZSA-N 0 1 389.315 2.912 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)Cc1cccc(Br)c1 ZINC000911281517 664242252 /nfs/dbraw/zinc/24/22/52/664242252.db2.gz GCOQCAORHLUOAL-INIZCTEOSA-N 0 1 397.313 2.779 20 0 GFADMN C[NH+](C)Cc1ccc(NC(=O)CCSCC(=O)[O-])cc1Br ZINC000911491058 664246838 /nfs/dbraw/zinc/24/68/38/664246838.db2.gz KEMKKVLPOZBUQM-UHFFFAOYSA-N 0 1 375.288 2.657 20 0 GFADMN CC(C)(C)OC(=O)c1cc(NC(=O)Cc2cccnc2Br)n[nH]1 ZINC000911570106 664248979 /nfs/dbraw/zinc/24/89/79/664248979.db2.gz XFPJUTLHKGCTKE-UHFFFAOYSA-N 0 1 381.230 2.704 20 0 GFADMN CSCC[C@H](NC(=O)C(C)(C)c1cccc(Br)c1)c1nn[nH]n1 ZINC000912860142 664305371 /nfs/dbraw/zinc/30/53/71/664305371.db2.gz 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CCOC(=O)N[C@H]1CCCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000915681278 664437324 /nfs/dbraw/zinc/43/73/24/664437324.db2.gz WMTJZHGPBWYIHD-UONOGXRCSA-N 0 1 391.295 2.944 20 0 GFADMN CCc1nocc1CN(C)S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000915898592 664443700 /nfs/dbraw/zinc/44/37/00/664443700.db2.gz HWQKIAMZJOXISX-UHFFFAOYSA-N 0 1 380.344 2.662 20 0 GFADMN O=S(=O)(NCCc1cc(C(F)(F)F)ccn1)c1occc1Br ZINC000915892226 664443831 /nfs/dbraw/zinc/44/38/31/664443831.db2.gz DAAPXHFCMAKXQP-UHFFFAOYSA-N 0 1 399.188 2.977 20 0 GFADMN C[C@@H]1SCC[C@H]1NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916643436 664467917 /nfs/dbraw/zinc/46/79/17/664467917.db2.gz MTMJWPWDPINQCY-BCFOBXKBSA-N 0 1 388.458 2.762 20 0 GFADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCSC(F)(F)F ZINC000916838687 664472986 /nfs/dbraw/zinc/47/29/86/664472986.db2.gz RMTINRNNAYTJSB-SECBINFHSA-N 0 1 391.868 2.547 20 0 GFADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)c1ncn(C)c1Cl ZINC000917552648 664486166 /nfs/dbraw/zinc/48/61/66/664486166.db2.gz 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Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cnc(Cl)c(F)c2)o1 ZINC000279240560 563289154 /nfs/dbraw/zinc/28/91/54/563289154.db2.gz JZPREIZVABZLSB-UHFFFAOYSA-N 0 1 375.853 2.528 20 0 GFADMN Cc1cc(NC(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1Br ZINC000372337679 563302608 /nfs/dbraw/zinc/30/26/08/563302608.db2.gz DUUYYTFDVHFNPN-BBRMVZONSA-N 0 1 394.313 2.687 20 0 GFADMN C[C@@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000279606493 563302783 /nfs/dbraw/zinc/30/27/83/563302783.db2.gz IYLJLWSTGZDCLZ-MGPQQGTHSA-N 0 1 399.333 2.704 20 0 GFADMN C[C@@H](CCNC(=O)c1ccc(S(C)(=O)=O)s1)N(C)Cc1ccccc1 ZINC000421502170 563313176 /nfs/dbraw/zinc/31/31/76/563313176.db2.gz LTPAEIAETHRQRB-AWEZNQCLSA-N 0 1 380.535 2.792 20 0 GFADMN CN(Cc1ccc(Br)o1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000280056117 563320395 /nfs/dbraw/zinc/32/03/95/563320395.db2.gz YBBOTRIVAHRTHQ-JSGCOSHPSA-N 0 1 385.281 2.820 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@H]2Cc2ccccc2Br)CC1 ZINC000421920518 563324648 /nfs/dbraw/zinc/32/46/48/563324648.db2.gz NDCVORZDYYMHCD-KRWDZBQOSA-N 0 1 394.357 2.620 20 0 GFADMN Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccoc3Br)CCCN2C)cn1 ZINC000373106167 563328665 /nfs/dbraw/zinc/32/86/65/563328665.db2.gz GEEKMUALINMRAT-RISCZKNCSA-N 0 1 381.274 2.589 20 0 GFADMN CN(C[C@H]1CCCN1C)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000422045852 563329122 /nfs/dbraw/zinc/32/91/22/563329122.db2.gz ZJSMUYMZVRGHRW-OAHLLOKOSA-N 0 1 379.298 2.602 20 0 GFADMN COC(=O)CSCc1cccc(NC(=O)[C@@]2(N(C)C)CCCSC2)c1 ZINC000373165456 563330116 /nfs/dbraw/zinc/33/01/16/563330116.db2.gz HZGUVBKUPARBBG-GOSISDBHSA-N 0 1 382.551 2.859 20 0 GFADMN O=C(CNCc1ccc(OC(F)(F)F)c(Br)c1)NCC(F)F ZINC000280377291 563334467 /nfs/dbraw/zinc/33/44/67/563334467.db2.gz VKSXSLPWRWVPNZ-UHFFFAOYSA-N 0 1 391.134 2.819 20 0 GFADMN Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCCN3C3CC3)nc12 ZINC000280393375 563334883 /nfs/dbraw/zinc/33/48/83/563334883.db2.gz XYGDPKLPVRBMGR-HNNXBMFYSA-N 0 1 377.286 2.648 20 0 GFADMN CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280439081 563337497 /nfs/dbraw/zinc/33/74/97/563337497.db2.gz CMBIFVXIWPGRTH-AAEUAGOBSA-N 0 1 388.839 2.602 20 0 GFADMN C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000422459737 563340235 /nfs/dbraw/zinc/34/02/35/563340235.db2.gz UIAKYEGQQNLOIY-QWRGUYRKSA-N 0 1 393.285 2.589 20 0 GFADMN CC[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000422459605 563340311 /nfs/dbraw/zinc/34/03/11/563340311.db2.gz TUXVLTJZAYGQCP-LLVKDONJSA-N 0 1 393.285 2.590 20 0 GFADMN CCCCN(CC)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422459061 563340368 /nfs/dbraw/zinc/34/03/68/563340368.db2.gz RXTKWYZMFCIZKW-UHFFFAOYSA-N 0 1 381.274 2.590 20 0 GFADMN C[C@@H]1CCCN(C(=O)C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H]1C ZINC000422460924 563340491 /nfs/dbraw/zinc/34/04/91/563340491.db2.gz XYSILXUIZBLAFY-MNOVXSKESA-N 0 1 393.285 2.589 20 0 GFADMN CSc1nc(=O)n(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)[nH]1 ZINC000373551693 563341488 /nfs/dbraw/zinc/34/14/88/563341488.db2.gz LAAQYXCKQMSOKI-CQSZACIVSA-N 0 1 392.531 2.591 20 0 GFADMN CN(CCc1cccc(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000298086346 563344271 /nfs/dbraw/zinc/34/42/71/563344271.db2.gz LFSQCZNCMLUIJU-UHFFFAOYSA-N 0 1 378.274 2.829 20 0 GFADMN C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000280603491 563345625 /nfs/dbraw/zinc/34/56/25/563345625.db2.gz VJDCTCFSAFCZCF-CXAGYDPISA-N 0 1 383.286 2.658 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373749449 563349754 /nfs/dbraw/zinc/34/97/54/563349754.db2.gz ATVWVVPNPBQOGC-UMSPYCQHSA-N 0 1 386.882 2.808 20 0 GFADMN C[S@@](=O)C1(CNCc2ncc(Br)cc2Br)CCC1 ZINC000280690775 563349956 /nfs/dbraw/zinc/34/99/56/563349956.db2.gz RNLNSOLNVCRAGP-GOSISDBHSA-N 0 1 396.148 2.997 20 0 GFADMN CC(C)[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(C)CC1 ZINC000298523821 563358222 /nfs/dbraw/zinc/35/82/22/563358222.db2.gz WRZCCTRFGISHLU-HNNXBMFYSA-N 0 1 394.368 2.544 20 0 GFADMN CN(Cc1nnc[nH]1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000298543176 563359175 /nfs/dbraw/zinc/35/91/75/563359175.db2.gz YTWRFMVHXKQHSX-LBPRGKRZSA-N 0 1 383.283 2.922 20 0 GFADMN O=S(=O)([N-][C@@H]1CCC[NH2+]CC1)c1c(Cl)cc(F)cc1Br ZINC000374185522 563364617 /nfs/dbraw/zinc/36/46/17/563364617.db2.gz DHEAGBFNYINAIF-SECBINFHSA-N 0 1 385.686 2.662 20 0 GFADMN COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)s1 ZINC000424056951 563368446 /nfs/dbraw/zinc/36/84/46/563368446.db2.gz AOXWYQANOCCNFP-GHMZBOCLSA-N 0 1 382.511 2.654 20 0 GFADMN Cc1cc(Br)c(C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cc1Cl ZINC000298943811 563371773 /nfs/dbraw/zinc/37/17/73/563371773.db2.gz NLNVREAXGWQLIF-SECBINFHSA-N 0 1 399.676 2.842 20 0 GFADMN CC(C)n1cncc1CNCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000424183691 563372636 /nfs/dbraw/zinc/37/26/36/563372636.db2.gz WHBAGKDEXQIIPM-UHFFFAOYSA-N 0 1 391.324 2.839 20 0 GFADMN O=C(N[C@H](CO)c1cccc(Br)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000374459587 563373021 /nfs/dbraw/zinc/37/30/21/563373021.db2.gz GMEBOGWQDMODAB-ZIAGYGMSSA-N 0 1 379.258 2.582 20 0 GFADMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000281345414 563374030 /nfs/dbraw/zinc/37/40/30/563374030.db2.gz KGKVTUGOQJETEF-UHFFFAOYSA-N 0 1 396.822 2.961 20 0 GFADMN COc1ncc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1Br ZINC000424548073 563381473 /nfs/dbraw/zinc/38/14/73/563381473.db2.gz TWGGMDKWMQRGJG-LBPRGKRZSA-N 0 1 384.299 2.947 20 0 GFADMN C[C@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000282268184 563404309 /nfs/dbraw/zinc/40/43/09/563404309.db2.gz DDUSTSNGBAHMCU-UPCLLVRISA-N 0 1 379.547 2.732 20 0 GFADMN COCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000425511946 563425734 /nfs/dbraw/zinc/42/57/34/563425734.db2.gz XLMIGHRFBCBJNL-AWEZNQCLSA-N 0 1 398.345 2.819 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC2(CCN(C)C2=O)CC1 ZINC000376045011 563427712 /nfs/dbraw/zinc/42/77/12/563427712.db2.gz MZLVAKPLLBUTFO-CYBMUJFWSA-N 0 1 394.313 2.720 20 0 GFADMN CCNC(=O)NC(=O)CN1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425915924 563440403 /nfs/dbraw/zinc/44/04/03/563440403.db2.gz JGFMLOZHFZALDK-UHFFFAOYSA-N 0 1 382.302 2.783 20 0 GFADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCc1nc[nH]n1 ZINC000316088821 563441006 /nfs/dbraw/zinc/44/10/06/563441006.db2.gz HIKKDWBYAORWJP-SECBINFHSA-N 0 1 387.665 2.737 20 0 GFADMN Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc(C)c1Br ZINC000426192744 563446477 /nfs/dbraw/zinc/44/64/77/563446477.db2.gz CIGQVZVMEGYFGU-HNNXBMFYSA-N 0 1 394.313 2.700 20 0 GFADMN O=C(c1cccc(F)c1Br)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000322464358 563450092 /nfs/dbraw/zinc/45/00/92/563450092.db2.gz YQLKNNAEASLBCY-CYBMUJFWSA-N 0 1 385.277 2.915 20 0 GFADMN O=C(NCCCCn1cc(Br)cn1)N1CCC(c2cnc[nH]2)CC1 ZINC000376667026 563450328 /nfs/dbraw/zinc/45/03/28/563450328.db2.gz XQAKYIUIWINDGH-UHFFFAOYSA-N 0 1 395.305 2.738 20 0 GFADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000326406547 563455101 /nfs/dbraw/zinc/45/51/01/563455101.db2.gz OUBSOTBXLDVFMG-UHFFFAOYSA-N 0 1 378.475 2.658 20 0 GFADMN O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693441 563463332 /nfs/dbraw/zinc/46/33/32/563463332.db2.gz COIMXTYXTOUGHB-AEGPPILISA-N 0 1 384.270 2.540 20 0 GFADMN O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693441 563463333 /nfs/dbraw/zinc/46/33/33/563463333.db2.gz COIMXTYXTOUGHB-AEGPPILISA-N 0 1 384.270 2.540 20 0 GFADMN CN(CC(F)(F)Br)C(=O)C1CCN(Cc2cccnc2)CC1 ZINC000377161259 563465156 /nfs/dbraw/zinc/46/51/56/563465156.db2.gz FQYLUNVFAWZEJA-UHFFFAOYSA-N 0 1 376.245 2.740 20 0 GFADMN Cc1nc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)sc1C ZINC000377209085 563466642 /nfs/dbraw/zinc/46/66/42/563466642.db2.gz VIDGTDALVREVDW-TZMCWYRMSA-N 0 1 378.523 2.569 20 0 GFADMN CN(Cc1ccc(Br)c(F)c1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000427735121 563472905 /nfs/dbraw/zinc/47/29/05/563472905.db2.gz HMNGLSSYKICWFH-GFCCVEGCSA-N 0 1 375.307 2.984 20 0 GFADMN CO[C@@H](c1noc([C@H]2C[C@@H]2c2nc[nH]n2)n1)c1ccc(Br)cc1 ZINC000377460890 563476162 /nfs/dbraw/zinc/47/61/62/563476162.db2.gz QYKXCIKVMQDOAU-SDDRHHMPSA-N 0 1 376.214 2.957 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc(Br)c(C)c2)C1 ZINC000284515795 563478325 /nfs/dbraw/zinc/47/83/25/563478325.db2.gz FBVXGJRUADQQFQ-OCCSQVGLSA-N 0 1 379.258 2.786 20 0 GFADMN O=C1NC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000377668099 563482260 /nfs/dbraw/zinc/48/22/60/563482260.db2.gz KMDYOZLYFAFIDJ-TZMCWYRMSA-N 0 1 376.254 2.672 20 0 GFADMN O=C1NC[C@@H]2CN(Cc3ncc(-c4ccc(Br)cc4)o3)CC[C@@H]12 ZINC000377668099 563482261 /nfs/dbraw/zinc/48/22/61/563482261.db2.gz KMDYOZLYFAFIDJ-TZMCWYRMSA-N 0 1 376.254 2.672 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(Br)c3F)cc21 ZINC000428142922 563483906 /nfs/dbraw/zinc/48/39/06/563483906.db2.gz ULUIKFHPGNNFQH-UHFFFAOYSA-N 0 1 377.173 2.816 20 0 GFADMN CCN1CCN(CC(=O)NC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000428141604 563484148 /nfs/dbraw/zinc/48/41/48/563484148.db2.gz NWWKRCSQCSOKTO-UHFFFAOYSA-N 0 1 382.346 2.746 20 0 GFADMN O=C1NC[C@@H]2CN(Cc3coc(-c4ccc(Br)cc4)n3)CC[C@H]12 ZINC000377733244 563484947 /nfs/dbraw/zinc/48/49/47/563484947.db2.gz UMPIRQAHPHJQTL-DOMZBBRYSA-N 0 1 376.254 2.672 20 0 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UXZVRMHWVLHUFO-UHFFFAOYSA-N 0 1 380.369 2.866 20 0 GFADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H]1CS(=O)(=O)CCO1 ZINC000539050000 564208327 /nfs/dbraw/zinc/20/83/27/564208327.db2.gz UXIJYKHHXLEAMR-BBRMVZONSA-N 0 1 380.535 2.891 20 0 GFADMN CCc1nc([C@@H]2CN(C(=O)c3cc(Br)c(C)cc3C)CCO2)n[nH]1 ZINC000449983060 564211912 /nfs/dbraw/zinc/21/19/12/564211912.db2.gz YOYBIJSIMGBHAQ-AWEZNQCLSA-N 0 1 393.285 2.960 20 0 GFADMN COc1c(Br)cc(CN[C@@H]2COC[C@H]2OC)cc1Br ZINC000564209846 564224830 /nfs/dbraw/zinc/22/48/30/564224830.db2.gz KGJBRHIIIJLNLA-VXGBXAGGSA-N 0 1 395.091 2.724 20 0 GFADMN O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1Br ZINC000450289406 564225757 /nfs/dbraw/zinc/22/57/57/564225757.db2.gz VBXDEMBKGRTMCI-KBPBESRZSA-N 0 1 395.322 2.876 20 0 GFADMN Cc1ccc(OC(F)F)c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000507355526 564226966 /nfs/dbraw/zinc/22/69/66/564226966.db2.gz VYATXVMHMVFDCE-OAHLLOKOSA-N 0 1 376.469 2.890 20 0 GFADMN Brc1ccc2c(c1)ncnc2N1CCC[C@H](CN2CCOCC2)C1 ZINC000450327570 564227824 /nfs/dbraw/zinc/22/78/24/564227824.db2.gz DDULNOMPMOUBRA-CQSZACIVSA-N 0 1 391.313 2.941 20 0 GFADMN CC[C@@H]1CN(c2ncnc3cc(Br)ccc32)C[C@H]1N1CCOCC1 ZINC000450386100 564230931 /nfs/dbraw/zinc/23/09/31/564230931.db2.gz DCYODXFSASXYCB-CXAGYDPISA-N 0 1 391.313 2.939 20 0 GFADMN O=C(NCCSCC(F)(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000539877626 564231928 /nfs/dbraw/zinc/23/19/28/564231928.db2.gz MVWJLBMNHLJJHE-UHFFFAOYSA-N 0 1 376.448 2.641 20 0 GFADMN CCOC(=O)[C@H](NS(=O)(=O)c1cncc(Cl)c1)c1cccc(C)c1C ZINC000472749391 564232835 /nfs/dbraw/zinc/23/28/35/564232835.db2.gz KHKJVMKYSKJGAR-MRXNPFEDSA-N 0 1 382.869 2.935 20 0 GFADMN COc1cc(NS(=O)(=O)c2cccc(C)c2Cl)cc(S(C)(=O)=O)c1 ZINC000507581020 564233328 /nfs/dbraw/zinc/23/33/28/564233328.db2.gz RGWIXWUWSJYXDT-UHFFFAOYSA-N 0 1 389.882 2.861 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccccc2Cl)cc(S(C)(=O)=O)c1 ZINC000507601357 564234275 /nfs/dbraw/zinc/23/42/75/564234275.db2.gz FMJHOPBXMWOUGE-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN Cc1nc(S(=O)(=O)NCCN(C)c2ccccc2)sc1Br ZINC000540039621 564238061 /nfs/dbraw/zinc/23/80/61/564238061.db2.gz XEIGDWLXHBVZNE-UHFFFAOYSA-N 0 1 390.328 2.629 20 0 GFADMN Cc1nc(CCNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)n[nH]1 ZINC000540298359 564244446 /nfs/dbraw/zinc/24/44/46/564244446.db2.gz YCACVUIVRIYDLP-UHFFFAOYSA-N 0 1 379.251 2.929 20 0 GFADMN Cc1nnc(CCNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)[nH]1 ZINC000540298359 564244450 /nfs/dbraw/zinc/24/44/50/564244450.db2.gz YCACVUIVRIYDLP-UHFFFAOYSA-N 0 1 379.251 2.929 20 0 GFADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1Cl ZINC000508083000 564252555 /nfs/dbraw/zinc/25/25/55/564252555.db2.gz JEFOEDOXVGCTCX-VIFPVBQESA-N 0 1 382.825 2.646 20 0 GFADMN Cc1c(Br)cccc1C[C@@H](CO)CNc1ncnc2[nH]cnc21 ZINC000450889408 564253341 /nfs/dbraw/zinc/25/33/41/564253341.db2.gz QSBIYCWFYFQBPG-LLVKDONJSA-N 0 1 376.258 2.639 20 0 GFADMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000473944134 564258815 /nfs/dbraw/zinc/25/88/15/564258815.db2.gz WEEHOMXSDGPFEQ-NWDGAFQWSA-N 0 1 393.322 2.987 20 0 GFADMN Cc1nc(S(=O)(=O)[N-][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)sc1Br ZINC000473948964 564259690 /nfs/dbraw/zinc/25/96/90/564259690.db2.gz HBKZKKFSTCGACS-ZJUUUORDSA-N 0 1 396.376 2.613 20 0 GFADMN Cc1nc(S(=O)(=O)[N-][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)sc1Br ZINC000473948964 564259694 /nfs/dbraw/zinc/25/96/94/564259694.db2.gz HBKZKKFSTCGACS-ZJUUUORDSA-N 0 1 396.376 2.613 20 0 GFADMN CCN(CC)[C@H](CNS(=O)(=O)CCc1scnc1C)c1ccccc1 ZINC000450991476 564261162 /nfs/dbraw/zinc/26/11/62/564261162.db2.gz MNFQZBGBVGZDFA-QGZVFWFLSA-N 0 1 381.567 2.997 20 0 GFADMN COc1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c(Br)c1OC ZINC000565103507 564266428 /nfs/dbraw/zinc/26/64/28/564266428.db2.gz KRAKTQMWEILSPI-LLVKDONJSA-N 0 1 390.299 2.858 20 0 GFADMN COc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c(Br)c1OC ZINC000565103507 564266429 /nfs/dbraw/zinc/26/64/29/564266429.db2.gz KRAKTQMWEILSPI-LLVKDONJSA-N 0 1 390.299 2.858 20 0 GFADMN Nc1ncccc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000565109285 564266524 /nfs/dbraw/zinc/26/65/24/564266524.db2.gz DUUVBPAHRNGHDJ-LSDHHAIUSA-N 0 1 376.254 2.727 20 0 GFADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCc2ccc(F)cc21 ZINC000451057345 564268603 /nfs/dbraw/zinc/26/86/03/564268603.db2.gz DLUQCXFPCQNWNO-ZDUSSCGKSA-N 0 1 383.363 2.792 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565190870 564269561 /nfs/dbraw/zinc/26/95/61/564269561.db2.gz IINGZWHTITZUGX-ZUZCIYMTSA-N 0 1 381.263 2.817 20 0 GFADMN CO[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000508665606 564269695 /nfs/dbraw/zinc/26/96/95/564269695.db2.gz WWWHFGUHYLQWGF-OLZOCXBDSA-N 0 1 399.232 2.855 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H](C)CN1CCOCC1 ZINC000541237380 564270985 /nfs/dbraw/zinc/27/09/85/564270985.db2.gz JBEYNHHVXPSSHE-ZBFHGGJFSA-N 0 1 383.330 2.855 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2S(C)(=O)=O)c(C)c1 ZINC000451100795 564274648 /nfs/dbraw/zinc/27/46/48/564274648.db2.gz XULIPWWRZYLTSV-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN COC(=O)CN(C)C(=O)CCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000541317517 564275029 /nfs/dbraw/zinc/27/50/29/564275029.db2.gz CDXOHOPHOQMFJU-LLVKDONJSA-N 0 1 389.315 2.669 20 0 GFADMN CCC[C@@H](OC)C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000451113994 564277264 /nfs/dbraw/zinc/27/72/64/564277264.db2.gz CFLXSWFEEJTBNU-QGZVFWFLSA-N 0 1 398.345 2.950 20 0 GFADMN O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cc(F)cc(Cl)c1O ZINC000474443053 564278869 /nfs/dbraw/zinc/27/88/69/564278869.db2.gz BTACNUOEPYYKSJ-UHFFFAOYSA-N 0 1 390.795 2.631 20 0 GFADMN CCOCCNC(=O)CN1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509050414 564279449 /nfs/dbraw/zinc/27/94/49/564279449.db2.gz WHNRATWECCGPAB-UHFFFAOYSA-N 0 1 383.330 2.955 20 0 GFADMN CCSc1ccc(CC(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)cc1 ZINC000509070096 564280613 /nfs/dbraw/zinc/28/06/13/564280613.db2.gz ZUMGBLQZKLJULZ-UHFFFAOYSA-N 0 1 380.491 2.594 20 0 GFADMN Cc1ccnc(CNC(=O)c2n[nH]c3ccc(I)cc32)c1 ZINC000509174584 564285411 /nfs/dbraw/zinc/28/54/11/564285411.db2.gz VADQFRRQKBKONE-UHFFFAOYSA-N 0 1 392.200 2.801 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N(CCN1CCCC1)c1ccccc1 ZINC000451230142 564289267 /nfs/dbraw/zinc/28/92/67/564289267.db2.gz NFRONJSLKUIWFW-UHFFFAOYSA-N 0 1 379.551 2.926 20 0 GFADMN C[C@@H](C[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)[O-])CS(C)(=O)=O ZINC000565663082 564290123 /nfs/dbraw/zinc/29/01/23/564290123.db2.gz YAQQUDPAZWMBND-NSHDSACASA-N 0 1 382.309 2.603 20 0 GFADMN COC(=O)C(C)(C)CCNCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000474868962 564291958 /nfs/dbraw/zinc/29/19/58/564291958.db2.gz LPGIZAQYQZFYBC-UHFFFAOYSA-N 0 1 381.274 2.913 20 0 GFADMN C[C@H](O)CN1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000474933258 564293899 /nfs/dbraw/zinc/29/38/99/564293899.db2.gz NCZTZAQSTTYSOI-NSHDSACASA-N 0 1 397.235 2.846 20 0 GFADMN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000509386472 564295839 /nfs/dbraw/zinc/29/58/39/564295839.db2.gz LJYRUBDUFPFHIC-UHFFFAOYSA-N 0 1 394.396 2.613 20 0 GFADMN CCc1ncc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000509399664 564297025 /nfs/dbraw/zinc/29/70/25/564297025.db2.gz AWNGCOFUXFJCKE-UHFFFAOYSA-N 0 1 377.894 2.566 20 0 GFADMN COc1ccc(C)cc1CNCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509411550 564297267 /nfs/dbraw/zinc/29/72/67/564297267.db2.gz UZOOGVXZPLSUEF-UHFFFAOYSA-N 0 1 386.876 2.864 20 0 GFADMN CCN(C)C(=O)[C@@H](NCC(=O)NCCc1cccc(Cl)c1Cl)C(C)C ZINC000451311471 564298953 /nfs/dbraw/zinc/29/89/53/564298953.db2.gz IZUIMOZBUKIKOR-KRWDZBQOSA-N 0 1 388.339 2.745 20 0 GFADMN CN(Cc1ccc(Br)cn1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475097620 564299323 /nfs/dbraw/zinc/29/93/23/564299323.db2.gz VSCBTVQBCVLMFE-HOCLYGCPSA-N 0 1 394.292 2.679 20 0 GFADMN CC[C@H](C)[N@H+](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490607 564302218 /nfs/dbraw/zinc/30/22/18/564302218.db2.gz ZYIQHSHENRLADT-JTQLQIEISA-N 0 1 397.324 2.789 20 0 GFADMN CC[C@H](C)[N@@H+](C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509490607 564302220 /nfs/dbraw/zinc/30/22/20/564302220.db2.gz ZYIQHSHENRLADT-JTQLQIEISA-N 0 1 397.324 2.789 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(Cl)c1 ZINC000509569724 564304171 /nfs/dbraw/zinc/30/41/71/564304171.db2.gz NVOJXMRGWPJRMS-UHFFFAOYSA-N 0 1 382.781 2.774 20 0 GFADMN O=S1(=O)CCCC[C@H]1CNCC1=Cc2cc(Br)ccc2OC1 ZINC000542309741 564309493 /nfs/dbraw/zinc/30/94/93/564309493.db2.gz FAWJDAMEKGIJED-HNNXBMFYSA-N 0 1 386.311 2.782 20 0 GFADMN CC(C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000509759842 564311919 /nfs/dbraw/zinc/31/19/19/564311919.db2.gz DNVOFRVSRBXSCE-UHFFFAOYSA-N 0 1 377.348 2.799 20 0 GFADMN COc1ccc(Br)c([C@@H](CO)N(C)Cc2n[nH]c(C(C)C)n2)c1 ZINC000451456755 564315402 /nfs/dbraw/zinc/31/54/02/564315402.db2.gz LPLVZULSDGABKL-CQSZACIVSA-N 0 1 383.290 2.865 20 0 GFADMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Br)c1F ZINC000542485011 564315531 /nfs/dbraw/zinc/31/55/31/564315531.db2.gz DYVTWCUEMNURGR-NSHDSACASA-N 0 1 379.295 2.741 20 0 GFADMN CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000451473016 564316894 /nfs/dbraw/zinc/31/68/94/564316894.db2.gz VIGNSYZKIORXQY-NEPJUHHUSA-N 0 1 383.436 2.610 20 0 GFADMN CCOC[C@H](C)CS(=O)(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000451473018 564317143 /nfs/dbraw/zinc/31/71/43/564317143.db2.gz VIGNSYZKIORXQY-NWDGAFQWSA-N 0 1 383.436 2.610 20 0 GFADMN CN1CCN(Cc2ccc(NC(=O)[C@H]3CCSC3)cc2Br)CC1 ZINC000475753827 564318221 /nfs/dbraw/zinc/31/82/21/564318221.db2.gz SZJILXQWZFWBFN-AWEZNQCLSA-N 0 1 398.370 2.888 20 0 GFADMN CO[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1)C(C)C ZINC000475754323 564318542 /nfs/dbraw/zinc/31/85/42/564318542.db2.gz URNODQWRETVOPR-KRWDZBQOSA-N 0 1 398.345 2.806 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000475880549 564323993 /nfs/dbraw/zinc/32/39/93/564323993.db2.gz LOHCFGGVZIRXSK-VXGBXAGGSA-N 0 1 394.320 2.714 20 0 GFADMN O=C([O-])C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COCc1ccco1 ZINC000566366762 564324977 /nfs/dbraw/zinc/32/49/77/564324977.db2.gz DFRDSQCTXNYWMU-OAHLLOKOSA-N 0 1 398.253 2.506 20 0 GFADMN COc1cc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccn1 ZINC000451568970 564326483 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C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854658 564355450 /nfs/dbraw/zinc/35/54/50/564355450.db2.gz KCIFTGOXHYCSQC-HIFRSBDPSA-N 0 1 386.323 2.657 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000476846673 564355512 /nfs/dbraw/zinc/35/55/12/564355512.db2.gz KZGOICGCFYFKJU-CHWSQXEVSA-N 0 1 375.296 2.676 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2ccccc2Cl)CCN(CC(F)(F)F)C1 ZINC000451869952 564361568 /nfs/dbraw/zinc/36/15/68/564361568.db2.gz HCPOLJGJCGVLAI-KGLIPLIRSA-N 0 1 380.838 2.896 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1N1CCCC1 ZINC000477126514 564365270 /nfs/dbraw/zinc/36/52/70/564365270.db2.gz KQCLENDWASFYFS-ZIAGYGMSSA-N 0 1 378.922 2.679 20 0 GFADMN O=C(CCN1CCO[C@@]2(CCSC2)C1)Nc1cccc(Br)c1 ZINC000567349525 564367718 /nfs/dbraw/zinc/36/77/18/564367718.db2.gz SBPNNDVZQNEGTB-INIZCTEOSA-N 0 1 385.327 2.986 20 0 GFADMN C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(C)cn1 ZINC000567344063 564367876 /nfs/dbraw/zinc/36/78/76/564367876.db2.gz 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Cc1cc(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)ccc1Br ZINC000459188547 564735762 /nfs/dbraw/zinc/73/57/62/564735762.db2.gz VWHPVEUFJYGPEU-MRXNPFEDSA-N 0 1 396.329 2.621 20 0 GFADMN COc1ccccc1OCCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553774426 564735849 /nfs/dbraw/zinc/73/58/49/564735849.db2.gz SBMCEFZGMJXXAP-UHFFFAOYSA-N 0 1 377.796 2.984 20 0 GFADMN C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459221658 564736758 /nfs/dbraw/zinc/73/67/58/564736758.db2.gz UIYQYXWPSOYJBY-LRDDRELGSA-N 0 1 381.274 2.676 20 0 GFADMN CC(C)[C@H]1CN(C(=O)c2ccc(F)c(I)c2)CCN1C ZINC000489355898 564737165 /nfs/dbraw/zinc/73/71/65/564737165.db2.gz UKNPPVMAGREDBX-CQSZACIVSA-N 0 1 390.240 2.843 20 0 GFADMN CC[C@@H](C[C@H](C)CO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459225133 564737894 /nfs/dbraw/zinc/73/78/94/564737894.db2.gz XKMAGOVTVYKRBO-QWRGUYRKSA-N 0 1 383.290 2.922 20 0 GFADMN Cc1cccc(C[C@H](CO)NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000553856091 564740541 /nfs/dbraw/zinc/74/05/41/564740541.db2.gz SZUNEZNMJSUQGK-GFCCVEGCSA-N 0 1 375.824 2.809 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2ccc(Br)c3cc(C)oc32)C1 ZINC000527487373 564743720 /nfs/dbraw/zinc/74/37/20/564743720.db2.gz IDJICQOCDGJWAH-LBPRGKRZSA-N 0 1 381.270 2.954 20 0 GFADMN CC(C)[C@@](C)(NCc1ccc(I)cc1Cl)C(N)=O ZINC000459478651 564745929 /nfs/dbraw/zinc/74/59/29/564745929.db2.gz JOOWEXWSTDVOPG-CYBMUJFWSA-N 0 1 380.657 2.934 20 0 GFADMN O=C(CCN(CCO)Cc1cc(Br)ccc1F)N1CCCCC1 ZINC000489645590 564747606 /nfs/dbraw/zinc/74/76/06/564747606.db2.gz DYLBUEQOBQFOPG-UHFFFAOYSA-N 0 1 387.293 2.785 20 0 GFADMN CCOC1CC(C[NH2+]Cc2cccc([O-])c2Br)(N2CCOCC2)C1 ZINC000459515591 564749726 /nfs/dbraw/zinc/74/97/26/564749726.db2.gz UWNLDANEZGCVLP-UHFFFAOYSA-N 0 1 399.329 2.514 20 0 GFADMN C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000554090422 564750089 /nfs/dbraw/zinc/75/00/89/564750089.db2.gz QPVFSSOPDABQKK-WCQYABFASA-N 0 1 380.341 2.915 20 0 GFADMN O=C(c1ccco1)N1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527636214 564751790 /nfs/dbraw/zinc/75/17/90/564751790.db2.gz RITKNLDDDOBENK-UHFFFAOYSA-N 0 1 382.233 2.971 20 0 GFADMN CC(=O)NCC[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000554294705 564756867 /nfs/dbraw/zinc/75/68/67/564756867.db2.gz SUTPDSFDHWAJRJ-CQSZACIVSA-N 0 1 382.302 2.626 20 0 GFADMN CC(C)[C@H](CO)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000580416116 564757620 /nfs/dbraw/zinc/75/76/20/564757620.db2.gz XJWIJAMJMMGNHP-SMDDNHRTSA-N 0 1 376.316 2.522 20 0 GFADMN OC[C@]1(NCc2cc(Br)cc3c2OCC3)COc2ccccc2C1 ZINC000527769917 564760298 /nfs/dbraw/zinc/76/02/98/564760298.db2.gz SQGTTXPEKOJPPG-IBGZPJMESA-N 0 1 390.277 2.840 20 0 GFADMN COc1ccc(Br)c(CN[C@]2(CO)COc3ccccc3C2)c1 ZINC000527771020 564760306 /nfs/dbraw/zinc/76/03/06/564760306.db2.gz YVXWEUIFLPCINV-GOSISDBHSA-N 0 1 378.266 2.914 20 0 GFADMN COc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000527795379 564761793 /nfs/dbraw/zinc/76/17/93/564761793.db2.gz MVKCBANUJNLICR-FUHWJXTLSA-N 0 1 381.314 2.903 20 0 GFADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@]3(C)Br)n2)c(OC)c1 ZINC000528331813 564777606 /nfs/dbraw/zinc/77/76/06/564777606.db2.gz UMBKXOJWCFWTOP-BMIGLBTASA-N 0 1 381.230 2.601 20 0 GFADMN COc1cc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc(OC)c1Br ZINC000554986693 564779966 /nfs/dbraw/zinc/77/99/66/564779966.db2.gz YIDBWWMZYNROEZ-SECBINFHSA-N 0 1 395.257 2.868 20 0 GFADMN O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1cnccc1C(F)(F)F ZINC000528479437 564787755 /nfs/dbraw/zinc/78/77/55/564787755.db2.gz VMTSZJRLEZFJRX-CYBMUJFWSA-N 0 1 377.432 2.786 20 0 GFADMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000491293345 564789790 /nfs/dbraw/zinc/78/97/90/564789790.db2.gz DLFZNHONCCQHMO-LLVKDONJSA-N 0 1 381.723 2.865 20 0 GFADMN O=S(=O)(NC[C@H]1CCN1C1CCCC1)c1ccc(OC(F)F)c(F)c1 ZINC000528551569 564794278 /nfs/dbraw/zinc/79/42/78/564794278.db2.gz NUYACDYERBYBLC-GFCCVEGCSA-N 0 1 378.416 2.722 20 0 GFADMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(F)cc1I ZINC000528682858 564799497 /nfs/dbraw/zinc/79/94/97/564799497.db2.gz ZNTCIOGZQREWNC-CYBMUJFWSA-N 0 1 391.228 2.892 20 0 GFADMN CSCCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000555668611 564801483 /nfs/dbraw/zinc/80/14/83/564801483.db2.gz XLKNPTWJZOZMEO-HNNXBMFYSA-N 0 1 383.583 2.507 20 0 GFADMN O=C(CNC(=O)CN1CC[C@H](CC2CC2)C1)Nc1ccccc1Br ZINC000555700627 564802147 /nfs/dbraw/zinc/80/21/47/564802147.db2.gz HLFREULOGIIYEG-CQSZACIVSA-N 0 1 394.313 2.626 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3c2cccc3Br)[C@@H](C)C1 ZINC000492756635 564803412 /nfs/dbraw/zinc/80/34/12/564803412.db2.gz KIAXZDJDBXNILW-DCGLDWPTSA-N 0 1 396.329 2.533 20 0 GFADMN CN(C)C[C@H](NCc1nnn(CC(F)(F)F)n1)c1ccc(Cl)c(Cl)c1 ZINC000528767697 564803786 /nfs/dbraw/zinc/80/37/86/564803786.db2.gz POHIVBMGNXZZHX-LBPRGKRZSA-N 0 1 397.232 2.935 20 0 GFADMN Brc1ccc(Cc2nc(CN3CC[C@H](c4nc[nH]n4)C3)no2)cc1 ZINC000581485047 564804664 /nfs/dbraw/zinc/80/46/64/564804664.db2.gz MUVYLNPHFXETJX-LBPRGKRZSA-N 0 1 389.257 2.531 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000461880744 564806589 /nfs/dbraw/zinc/80/65/89/564806589.db2.gz BMXLVVCOTFZCHW-QGZVFWFLSA-N 0 1 380.330 2.750 20 0 GFADMN O=S(=O)([N-][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)sc1Cl ZINC000461900482 564807433 /nfs/dbraw/zinc/80/74/33/564807433.db2.gz KUEPGFLCZUNCKH-DTWKUNHWSA-N 0 1 399.763 2.830 20 0 GFADMN O=C(NCc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000555941976 564808713 /nfs/dbraw/zinc/80/87/13/564808713.db2.gz WYYJUVVQORLTNI-CYBMUJFWSA-N 0 1 384.307 2.743 20 0 GFADMN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)s1 ZINC000555976665 564810368 /nfs/dbraw/zinc/81/03/68/564810368.db2.gz MNNJETBMBXLYOH-MRXNPFEDSA-N 0 1 379.913 2.745 20 0 GFADMN COc1cc(Br)c(CN[C@@H](CO)Cc2ccc(F)cc2)cc1O ZINC000493739247 564811129 /nfs/dbraw/zinc/81/11/29/564811129.db2.gz WXFZZOZIYUDOQB-CQSZACIVSA-N 0 1 384.245 2.996 20 0 GFADMN COC[C@@H](C)[C@@H](C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000462020632 564811673 /nfs/dbraw/zinc/81/16/73/564811673.db2.gz OSFWSSNAIJVKCP-GHMZBOCLSA-N 0 1 381.274 2.769 20 0 GFADMN COC[C@@H](C)[C@@H](C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000462020632 564811674 /nfs/dbraw/zinc/81/16/74/564811674.db2.gz OSFWSSNAIJVKCP-GHMZBOCLSA-N 0 1 381.274 2.769 20 0 GFADMN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1n[nH]c2ccc(Br)cc21 ZINC000581842425 564819929 /nfs/dbraw/zinc/81/99/29/564819929.db2.gz JBYVTTDUHXAGSV-GFCCVEGCSA-N 0 1 399.248 2.861 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)CCc2ccccc2Br)CN1C1CC1 ZINC000462112687 564820634 /nfs/dbraw/zinc/82/06/34/564820634.db2.gz PDRQPRBWIOBYMY-JSGCOSHPSA-N 0 1 387.343 2.536 20 0 GFADMN CSc1cc(NCc2ccc(N3CCN(C)CC3)nc2)nc(SC)n1 ZINC000581954441 564824868 /nfs/dbraw/zinc/82/48/68/564824868.db2.gz XUBLUYXMTIFLHF-UHFFFAOYSA-N 0 1 376.555 2.679 20 0 GFADMN O=C1CC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H](C2CC2)N1 ZINC000556428873 564825269 /nfs/dbraw/zinc/82/52/69/564825269.db2.gz BIQPSWJUGBVBCY-DYVFJYSZSA-N 0 1 380.279 2.721 20 0 GFADMN CC(C)[C@@H]1CNCCN1C(=O)NCc1cc(F)c(F)cc1Br ZINC000529329724 564829378 /nfs/dbraw/zinc/82/93/78/564829378.db2.gz ZPBAPXDXUJGKQT-AWEZNQCLSA-N 0 1 376.245 2.867 20 0 GFADMN NC1(c2noc(-c3ccc(Br)cc3-n3cncn3)n2)CCCC1 ZINC000582180734 564834276 /nfs/dbraw/zinc/83/42/76/564834276.db2.gz NUKPNTDRIBXIGP-UHFFFAOYSA-N 0 1 375.230 2.808 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)N1CCC[C@H](C)C1 ZINC000462438843 564839958 /nfs/dbraw/zinc/83/99/58/564839958.db2.gz FNQWHCQSNXSEMR-RYUDHWBXSA-N 0 1 393.322 2.987 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)n1 ZINC000556815460 564841787 /nfs/dbraw/zinc/84/17/87/564841787.db2.gz BGGAZALZAFZUDK-SECBINFHSA-N 0 1 395.286 2.977 20 0 GFADMN Cc1nnc([C@@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)[nH]1 ZINC000556815460 564841793 /nfs/dbraw/zinc/84/17/93/564841793.db2.gz BGGAZALZAFZUDK-SECBINFHSA-N 0 1 395.286 2.977 20 0 GFADMN CCn1nc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000530031415 564860211 /nfs/dbraw/zinc/86/02/11/564860211.db2.gz ILZMKCLEDAKLAX-HNNXBMFYSA-N 0 1 383.279 2.603 20 0 GFADMN Cc1nnc(SCCC(=O)NCc2cc(Br)cc3c2OCC3)[nH]1 ZINC000462852289 564860524 /nfs/dbraw/zinc/86/05/24/564860524.db2.gz KYJWBYHGDJGMPE-UHFFFAOYSA-N 0 1 397.298 2.609 20 0 GFADMN CN(C)C[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032077 564860710 /nfs/dbraw/zinc/86/07/10/564860710.db2.gz OXBJAFYBHSAGMC-LRDDRELGSA-N 0 1 384.307 2.723 20 0 GFADMN C[C@@H](CNC(=O)C(=O)N1CCN(C)CC[C@H]1C)c1c(Cl)cccc1Cl ZINC000557456828 564864291 /nfs/dbraw/zinc/86/42/91/564864291.db2.gz VOAFMLUHTDWEJQ-QWHCGFSZSA-N 0 1 386.323 2.766 20 0 GFADMN COc1nc(N2CCN([C@H]3C[C@H]3c3ccccc3)CC2)ncc1Br ZINC000463107135 564869684 /nfs/dbraw/zinc/86/96/84/564869684.db2.gz PVEAMWWYKCCUGP-HOCLYGCPSA-N 0 1 389.297 2.926 20 0 GFADMN CCC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O)N(C)C ZINC000463173027 564871573 /nfs/dbraw/zinc/87/15/73/564871573.db2.gz VKXCUCFTWYDYBD-CVEARBPZSA-N 0 1 396.329 2.709 20 0 GFADMN COCCN1CC[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000497687639 564873496 /nfs/dbraw/zinc/87/34/96/564873496.db2.gz PIXCKZXDIGHVAB-INIZCTEOSA-N 0 1 397.313 2.639 20 0 GFADMN Cc1csc(CNC(=O)c2n[nH]c3ccc(I)cc32)n1 ZINC000463339916 564876202 /nfs/dbraw/zinc/87/62/02/564876202.db2.gz NKGQIMDPDDASEE-UHFFFAOYSA-N 0 1 398.229 2.862 20 0 GFADMN CCCNC(=O)CN(C)C(=O)CNC(C)(C)c1ccc(Br)c(C)c1 ZINC000583172571 564879397 /nfs/dbraw/zinc/87/93/97/564879397.db2.gz GXPCTXSHNJZUGJ-UHFFFAOYSA-N 0 1 398.345 2.567 20 0 GFADMN CC[C@@H](C)[C@@H](NC(=O)CN(C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415733 564880406 /nfs/dbraw/zinc/88/04/06/564880406.db2.gz RIJKUVMTSUCDII-CXAGYDPISA-N 0 1 399.329 2.627 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Br)cn2C(C)C)C1 ZINC000463446038 564881505 /nfs/dbraw/zinc/88/15/05/564881505.db2.gz FZWUNBSORQJHFC-HNNXBMFYSA-N 0 1 386.334 2.918 20 0 GFADMN COC(=O)[C@H]1CCN([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000463504946 564883823 /nfs/dbraw/zinc/88/38/23/564883823.db2.gz YTNULADFSWSNNQ-BBRMVZONSA-N 0 1 395.297 2.748 20 0 GFADMN COc1c(NS(=O)(=O)c2ccc(SC)c(Cl)c2)cccc1C(N)=O ZINC000463783256 564889882 /nfs/dbraw/zinc/88/98/82/564889882.db2.gz PDPDRKRCTQURPM-UHFFFAOYSA-N 0 1 386.882 2.970 20 0 GFADMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@H](C)O1 ZINC000463849083 564891971 /nfs/dbraw/zinc/89/19/71/564891971.db2.gz RLHPOXJWXXPIHO-GXSJLCMTSA-N 0 1 399.232 2.807 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)Nc2cc(Br)ccc2-n2cccn2)n[nH]1 ZINC000558338477 564898090 /nfs/dbraw/zinc/89/80/90/564898090.db2.gz DYMZOJBIELYLCK-SECBINFHSA-N 0 1 390.245 2.944 20 0 GFADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000498487355 564899398 /nfs/dbraw/zinc/89/93/98/564899398.db2.gz VLZYSBAXKNBRGS-ABAIWWIYSA-N 0 1 385.277 2.908 20 0 GFADMN Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)c1Br ZINC000583612098 564899526 /nfs/dbraw/zinc/89/95/26/564899526.db2.gz TXVXTKVCIDIFDV-UHFFFAOYSA-N 0 1 384.255 2.800 20 0 GFADMN C[C@@H](N1CCN(C(=O)c2cccc(Br)c2O)CC1)C(F)(F)F ZINC000531156863 564902949 /nfs/dbraw/zinc/90/29/49/564902949.db2.gz PRXDIBBUCNSUHA-SECBINFHSA-N 0 1 381.192 2.863 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000498707204 564905963 /nfs/dbraw/zinc/90/59/63/564905963.db2.gz GNVHLJXBWLNGAC-CYBMUJFWSA-N 0 1 377.286 2.801 20 0 GFADMN Cc1c(C(=O)N2CCN(C)CC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000498728116 564906794 /nfs/dbraw/zinc/90/67/94/564906794.db2.gz JXYQVSGMMUXQOO-LBPRGKRZSA-N 0 1 392.301 2.504 20 0 GFADMN COCCOc1ncccc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464550527 564909594 /nfs/dbraw/zinc/90/95/94/564909594.db2.gz FTFBTWFSFKSTMF-UHFFFAOYSA-N 0 1 391.225 2.998 20 0 GFADMN C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccsc1C(=O)[O-] ZINC000583877627 564911004 /nfs/dbraw/zinc/91/10/04/564911004.db2.gz SGYCZOYNTFKKGR-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccsc1C(=O)[O-] ZINC000583877627 564911006 /nfs/dbraw/zinc/91/10/06/564911006.db2.gz SGYCZOYNTFKKGR-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN CCC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1 ZINC000464576485 564911261 /nfs/dbraw/zinc/91/12/61/564911261.db2.gz LFTAQEINKJJMOP-SNVBAGLBSA-N 0 1 379.258 2.913 20 0 GFADMN CCc1nc([C@H]2CN(C(=O)N[C@H]3CCc4sc(Cl)cc43)CCO2)n[nH]1 ZINC000583905615 564911504 /nfs/dbraw/zinc/91/15/04/564911504.db2.gz BUWYOMAQTZLVBF-WDEREUQCSA-N 0 1 381.889 2.852 20 0 GFADMN C[C@H](Sc1nncn1C)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464572800 564911424 /nfs/dbraw/zinc/91/14/24/564911424.db2.gz TYCPNQCJWSLRIP-ZETCQYMHSA-N 0 1 381.259 2.573 20 0 GFADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000464768318 564917469 /nfs/dbraw/zinc/91/74/69/564917469.db2.gz BRSGDJLNYIPPPM-KGLIPLIRSA-N 0 1 381.567 2.809 20 0 GFADMN C[C@H](NC(=O)CN1CCC[C@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803095 564918945 /nfs/dbraw/zinc/91/89/45/564918945.db2.gz VYLOFHKIEFRADT-SGTLLEGYSA-N 0 1 384.307 2.773 20 0 GFADMN CSc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000499180240 564920099 /nfs/dbraw/zinc/92/00/99/564920099.db2.gz NYRLGDINMNCKEK-UHFFFAOYSA-N 0 1 386.882 2.727 20 0 GFADMN COc1ccc(Br)cc1CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000531771638 564920140 /nfs/dbraw/zinc/92/01/40/564920140.db2.gz KREUWEKUXRFDHH-OAHLLOKOSA-N 0 1 384.318 2.939 20 0 GFADMN COC(=O)c1csc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000531854239 564921788 /nfs/dbraw/zinc/92/17/88/564921788.db2.gz RRYFVNUIWANVIV-UHFFFAOYSA-N 0 1 389.838 2.776 20 0 GFADMN COC(C)(C)CN(C)CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000532340726 564936033 /nfs/dbraw/zinc/93/60/33/564936033.db2.gz OUTXEJCINBOMKK-UHFFFAOYSA-N 0 1 387.318 2.643 20 0 GFADMN CSc1ccc([C@@H](C)NCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000466414042 564940292 /nfs/dbraw/zinc/94/02/92/564940292.db2.gz GNBWUKIVERXYHS-KDOFPFPSSA-N 0 1 379.551 2.990 20 0 GFADMN Cc1ccc(NC(=O)C[N@@H+](CC(C)(C)O)C2CCOCC2)c(Br)c1 ZINC000532646079 564941907 /nfs/dbraw/zinc/94/19/07/564941907.db2.gz JLEXJBYVNWOLFA-UHFFFAOYSA-N 0 1 399.329 2.948 20 0 GFADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000559936337 564942249 /nfs/dbraw/zinc/94/22/49/564942249.db2.gz IASUOGYXWMDZCB-LLVKDONJSA-N 0 1 390.241 2.899 20 0 GFADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 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ASQHJVRLOONETB-QFBILLFUSA-N 0 1 391.512 2.663 20 0 GFADMN CCC[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737017830 600716701 /nfs/dbraw/zinc/71/67/01/600716701.db2.gz FGDWAEMVJBQAFS-KANFNMMFSA-N 0 1 377.481 2.650 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC[N@H+]1C ZINC000828177866 600739760 /nfs/dbraw/zinc/73/97/60/600739760.db2.gz VGZGNUQYKVHWRA-DFBGVHRSSA-N 0 1 398.301 2.747 20 0 GFADMN O=C([O-])C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c2ccccc21 ZINC000833215634 600763632 /nfs/dbraw/zinc/76/36/32/600763632.db2.gz QIBUMHJKIAUJDC-VGOFRKELSA-N 0 1 394.471 2.790 20 0 GFADMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000828441016 600820582 /nfs/dbraw/zinc/82/05/82/600820582.db2.gz OKPRWJDBGCRLES-HLLBOEOZSA-N 0 1 396.915 2.991 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000828441016 600820585 /nfs/dbraw/zinc/82/05/85/600820585.db2.gz OKPRWJDBGCRLES-HLLBOEOZSA-N 0 1 396.915 2.991 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2CCOc2ccc(C(=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000828441016 600820588 /nfs/dbraw/zinc/82/05/88/600820588.db2.gz OKPRWJDBGCRLES-HLLBOEOZSA-N 0 1 396.915 2.991 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CC1)C(=O)[O-] ZINC000827449468 600823446 /nfs/dbraw/zinc/82/34/46/600823446.db2.gz KSOIPCGHTJSQFG-OAHLLOKOSA-N 0 1 376.472 2.939 20 0 GFADMN C[N@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000830941127 600827780 /nfs/dbraw/zinc/82/77/80/600827780.db2.gz SPDSUTZVYLMUPJ-KRWDZBQOSA-N 0 1 395.931 2.519 20 0 GFADMN CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000388690366 600866002 /nfs/dbraw/zinc/86/60/02/600866002.db2.gz WMNYQEFIGLMATA-OAHLLOKOSA-N 0 1 394.518 2.731 20 0 GFADMN CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000388690366 600866005 /nfs/dbraw/zinc/86/60/05/600866005.db2.gz WMNYQEFIGLMATA-OAHLLOKOSA-N 0 1 394.518 2.731 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000737494551 600914424 /nfs/dbraw/zinc/91/44/24/600914424.db2.gz TZBIJSBXEHOFCO-UHFFFAOYSA-N 0 1 379.416 2.935 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000737494551 600914426 /nfs/dbraw/zinc/91/44/26/600914426.db2.gz TZBIJSBXEHOFCO-UHFFFAOYSA-N 0 1 379.416 2.935 20 0 GFADMN O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738467734 600973629 /nfs/dbraw/zinc/97/36/29/600973629.db2.gz TZJXDDYXABTPSI-UHFFFAOYSA-N 0 1 378.494 2.766 20 0 GFADMN CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C(=O)[O-])CC3)C2)n1 ZINC000574783891 600973853 /nfs/dbraw/zinc/97/38/53/600973853.db2.gz KWONYGSYPGCUFU-OAHLLOKOSA-N 0 1 379.526 2.769 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000737867823 600979551 /nfs/dbraw/zinc/97/95/51/600979551.db2.gz QLGWIIUERGQPFQ-PKOBYXMFSA-N 0 1 385.460 2.698 20 0 GFADMN CN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000659755409 600983628 /nfs/dbraw/zinc/98/36/28/600983628.db2.gz XYYOHIDWFANKCF-IBGZPJMESA-N 0 1 382.460 2.887 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000383158193 600987594 /nfs/dbraw/zinc/98/75/94/600987594.db2.gz OFJGJLDEOGVAQQ-QGZVFWFLSA-N 0 1 388.489 2.527 20 0 GFADMN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000823673692 607482914 /nfs/dbraw/zinc/48/29/14/607482914.db2.gz MHXXMCMPMPCZIE-HZPDHXFCSA-N 0 1 395.360 2.630 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000828708701 601013320 /nfs/dbraw/zinc/01/33/20/601013320.db2.gz MHRDOIMFAFTJOH-NEOGFGCTSA-N 0 1 389.540 2.587 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])c2)cs1 ZINC000832991267 601015048 /nfs/dbraw/zinc/01/50/48/601015048.db2.gz GILVOYDROTYZAW-HNNXBMFYSA-N 0 1 391.518 2.949 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCSC[C@@H]3CC(=O)[O-])c2)cs1 ZINC000832991267 601015052 /nfs/dbraw/zinc/01/50/52/601015052.db2.gz GILVOYDROTYZAW-HNNXBMFYSA-N 0 1 391.518 2.949 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000833221100 601022930 /nfs/dbraw/zinc/02/29/30/601022930.db2.gz AZXLKRSDRULVSF-KRWDZBQOSA-N 0 1 376.522 2.507 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000833221100 601022934 /nfs/dbraw/zinc/02/29/34/601022934.db2.gz AZXLKRSDRULVSF-KRWDZBQOSA-N 0 1 376.522 2.507 20 0 GFADMN C[C@H](NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000827637042 601025970 /nfs/dbraw/zinc/02/59/70/601025970.db2.gz QMQHPLOPZNLNJG-KSSFIOAISA-N 0 1 376.522 2.635 20 0 GFADMN C[C@H](NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000827637042 601025975 /nfs/dbraw/zinc/02/59/75/601025975.db2.gz QMQHPLOPZNLNJG-KSSFIOAISA-N 0 1 376.522 2.635 20 0 GFADMN CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830682422 601043262 /nfs/dbraw/zinc/04/32/62/601043262.db2.gz YUHJFKNMMWUJJU-SFHVURJKSA-N 0 1 381.476 2.777 20 0 GFADMN CC[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)CC1CCN(c2ccccn2)CC1 ZINC000829623886 601043701 /nfs/dbraw/zinc/04/37/01/601043701.db2.gz FGMFDBFLGHLOLX-UHFFFAOYSA-N 0 1 396.491 2.957 20 0 GFADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000827381119 601103079 /nfs/dbraw/zinc/10/30/79/601103079.db2.gz ZXIKGXFHBMLWKO-LLVKDONJSA-N 0 1 395.431 2.709 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1C(=O)[O-] ZINC000831294481 601107261 /nfs/dbraw/zinc/10/72/61/601107261.db2.gz NIMQOJJYUGZOFJ-QWHCGFSZSA-N 0 1 377.441 2.556 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828296424 601119479 /nfs/dbraw/zinc/11/94/79/601119479.db2.gz YAPZXBLQAVSQDS-QGZVFWFLSA-N 0 1 381.476 2.920 20 0 GFADMN CC(C)OCC[NH+]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000827031035 601132541 /nfs/dbraw/zinc/13/25/41/601132541.db2.gz QFPQHXFXLNZADX-UHFFFAOYSA-N 0 1 395.525 2.579 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659755846 601172781 /nfs/dbraw/zinc/17/27/81/601172781.db2.gz IICVLVIDRWPSDH-APWZRJJASA-N 0 1 382.460 2.933 20 0 GFADMN COc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1-c1nn[nH]n1 ZINC000826194131 607495156 /nfs/dbraw/zinc/49/51/56/607495156.db2.gz BSJPQDZYAKBYCX-QGZVFWFLSA-N 0 1 393.447 2.984 20 0 GFADMN Cc1oc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC000833028214 601222479 /nfs/dbraw/zinc/22/24/79/601222479.db2.gz JQFKRGVHYWLJFD-HIFRSBDPSA-N 0 1 384.498 2.561 20 0 GFADMN Cc1oc(S(=O)(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000833026302 601224274 /nfs/dbraw/zinc/22/42/74/601224274.db2.gz DPQJIIJCTWYJBM-CQSZACIVSA-N 0 1 392.477 2.571 20 0 GFADMN Cc1oc(S(=O)(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000833026302 601224275 /nfs/dbraw/zinc/22/42/75/601224275.db2.gz DPQJIIJCTWYJBM-CQSZACIVSA-N 0 1 392.477 2.571 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000829126282 601241681 /nfs/dbraw/zinc/24/16/81/601241681.db2.gz VUFOYZVRRMONRI-YHVDPYDOSA-N 0 1 394.537 2.963 20 0 GFADMN CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000829770711 601241735 /nfs/dbraw/zinc/24/17/35/601241735.db2.gz MECJDFKFVWIIST-JTQLQIEISA-N 0 1 395.308 2.844 20 0 GFADMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000176964152 601243869 /nfs/dbraw/zinc/24/38/69/601243869.db2.gz FSBPVMNSOQWNOU-VHSXEESVSA-N 0 1 393.292 2.549 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000827384915 601259859 /nfs/dbraw/zinc/25/98/59/601259859.db2.gz ABIMEDGYRWSPSO-INIZCTEOSA-N 0 1 388.489 2.523 20 0 GFADMN C[C@@H](CCNS(=O)(=O)c1cc(C(=O)[O-])cs1)[N@@H+](C)Cc1ccccc1 ZINC000379604143 601260958 /nfs/dbraw/zinc/26/09/58/601260958.db2.gz GSNOAFWAVHPOAH-ZDUSSCGKSA-N 0 1 382.507 2.635 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000833008957 601268282 /nfs/dbraw/zinc/26/82/82/601268282.db2.gz FUBDOHQJELWHEW-CYBMUJFWSA-N 0 1 385.445 2.918 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000828456965 601270934 /nfs/dbraw/zinc/27/09/34/601270934.db2.gz PGBGYIVMHSKOFB-BBRMVZONSA-N 0 1 388.493 2.802 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000831916692 601306173 /nfs/dbraw/zinc/30/61/73/601306173.db2.gz ARZBVNFFQLJCNK-SJLPKXTDSA-N 0 1 388.464 2.699 20 0 GFADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000830905153 601318604 /nfs/dbraw/zinc/31/86/04/601318604.db2.gz CJICVPHEBWGKAD-PXNSSMCTSA-N 0 1 392.459 2.954 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1N1CCOCC1 ZINC000828461540 601325319 /nfs/dbraw/zinc/32/53/19/601325319.db2.gz ADYDGUHOZMLZBQ-RDTXWAMCSA-N 0 1 387.505 2.661 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000828456474 601334915 /nfs/dbraw/zinc/33/49/15/601334915.db2.gz MBVGEXKLDMQJNG-NEWSRXKRSA-N 0 1 385.508 2.793 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000833190228 601340159 /nfs/dbraw/zinc/34/01/59/601340159.db2.gz SQBXJZJMSJQFSM-PMACEKPBSA-N 0 1 388.508 2.678 20 0 GFADMN CCN(Cc1cc(-c2nn[nH]n2)ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000821222690 607504190 /nfs/dbraw/zinc/50/41/90/607504190.db2.gz XDGQLPBPHXLZHK-INIZCTEOSA-N 0 1 381.436 2.537 20 0 GFADMN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000832970601 601397641 /nfs/dbraw/zinc/39/76/41/601397641.db2.gz JGFNUANBVUKPBP-HNNXBMFYSA-N 0 1 393.447 2.746 20 0 GFADMN O=C([O-])C1(CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCCC1 ZINC000833136564 601412142 /nfs/dbraw/zinc/41/21/42/601412142.db2.gz ROCSIJHCWPMYFN-UHFFFAOYSA-N 0 1 395.450 2.873 20 0 GFADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833105351 601431868 /nfs/dbraw/zinc/43/18/68/601431868.db2.gz IPVQKKAVDPYTOO-NVXWUHKLSA-N 0 1 388.464 2.752 20 0 GFADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833105351 601431870 /nfs/dbraw/zinc/43/18/70/601431870.db2.gz IPVQKKAVDPYTOO-NVXWUHKLSA-N 0 1 388.464 2.752 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000825913223 601434698 /nfs/dbraw/zinc/43/46/98/601434698.db2.gz ODHDQPYWTWCSCX-APWZRJJASA-N 0 1 387.480 2.939 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000825913223 601434700 /nfs/dbraw/zinc/43/47/00/601434700.db2.gz ODHDQPYWTWCSCX-APWZRJJASA-N 0 1 387.480 2.939 20 0 GFADMN CN(C(=O)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830478339 601447701 /nfs/dbraw/zinc/44/77/01/601447701.db2.gz QCMBZVDMCXYDIR-SFHVURJKSA-N 0 1 381.476 2.554 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263395309 601511865 /nfs/dbraw/zinc/51/18/65/601511865.db2.gz ZHLDSNDUPQMSGX-RVKKMQEKSA-N 0 1 380.444 2.897 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263395309 601511866 /nfs/dbraw/zinc/51/18/66/601511866.db2.gz ZHLDSNDUPQMSGX-RVKKMQEKSA-N 0 1 380.444 2.897 20 0 GFADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000828168225 601517511 /nfs/dbraw/zinc/51/75/11/601517511.db2.gz OAURHEXOSOBNGB-AEFFLSMTSA-N 0 1 394.537 2.556 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000828441843 601523105 /nfs/dbraw/zinc/52/31/05/601523105.db2.gz UFUYDVXNROMTRM-SUMWQHHRSA-N 0 1 399.422 2.669 20 0 GFADMN Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832861754 601529274 /nfs/dbraw/zinc/52/92/74/601529274.db2.gz LIBWLEKRKUUYJN-IBGZPJMESA-N 0 1 382.460 2.896 20 0 GFADMN Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832861754 601529275 /nfs/dbraw/zinc/52/92/75/601529275.db2.gz LIBWLEKRKUUYJN-IBGZPJMESA-N 0 1 382.460 2.896 20 0 GFADMN O=C([O-])C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000833219649 601574308 /nfs/dbraw/zinc/57/43/08/601574308.db2.gz BXCZDFASPLNIDB-LJQANCHMSA-N 0 1 384.432 2.983 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000827385743 601582319 /nfs/dbraw/zinc/58/23/19/601582319.db2.gz OOXJPYJPECOIIN-ZDUSSCGKSA-N 0 1 396.896 2.663 20 0 GFADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000828252395 601728852 /nfs/dbraw/zinc/72/88/52/601728852.db2.gz TWPNFFJKIBLKEZ-ZWCUEREDSA-N 0 1 388.508 2.817 20 0 GFADMN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000832169814 601729295 /nfs/dbraw/zinc/72/92/95/601729295.db2.gz NZVIGCGMDMDLMA-OAQYLSRUSA-N 0 1 386.423 2.684 20 0 GFADMN Cn1cc(Cl)cc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833046522 601729401 /nfs/dbraw/zinc/72/94/01/601729401.db2.gz SPTUVCICHUNZQD-IBGZPJMESA-N 0 1 375.856 2.528 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCOc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128875 601729692 /nfs/dbraw/zinc/72/96/92/601729692.db2.gz OVVRCSCDCBBBMS-XXBNENTESA-N 0 1 394.471 2.788 20 0 GFADMN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000832169886 601732319 /nfs/dbraw/zinc/73/23/19/601732319.db2.gz WDZWEWINBKGCTD-JOCHJYFZSA-N 0 1 398.459 2.553 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@H]2Cc3ccccc3S2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129038 601733847 /nfs/dbraw/zinc/73/38/47/601733847.db2.gz SSHIXPPCUYYNEE-KNQAVFIVSA-N 0 1 396.512 2.939 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3NC(=O)[O-])C2)cc(OC)c1 ZINC000831996485 601739740 /nfs/dbraw/zinc/73/97/40/601739740.db2.gz YCINIHAGYNZRQG-HNNXBMFYSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3NC(=O)[O-])C2)cc(OC)c1 ZINC000831996485 601739742 /nfs/dbraw/zinc/73/97/42/601739742.db2.gz YCINIHAGYNZRQG-HNNXBMFYSA-N 0 1 399.447 2.798 20 0 GFADMN 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ZINC000062935984 601926255 /nfs/dbraw/zinc/92/62/55/601926255.db2.gz RBPZNIUFDXJEMV-AWEZNQCLSA-N 0 1 375.650 2.838 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000062935984 601926257 /nfs/dbraw/zinc/92/62/57/601926257.db2.gz RBPZNIUFDXJEMV-AWEZNQCLSA-N 0 1 375.650 2.838 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000740368819 601927075 /nfs/dbraw/zinc/92/70/75/601927075.db2.gz MKKWEVCGLDOVLI-RRFJBIMHSA-N 0 1 391.434 2.784 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000738573372 601928261 /nfs/dbraw/zinc/92/82/61/601928261.db2.gz ICMTZTJMPPREBU-QZTJIDSGSA-N 0 1 388.468 2.580 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000738573372 601928262 /nfs/dbraw/zinc/92/82/62/601928262.db2.gz ICMTZTJMPPREBU-QZTJIDSGSA-N 0 1 388.468 2.580 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263580411 601937669 /nfs/dbraw/zinc/93/76/69/601937669.db2.gz VYOSWJWNJSOJKF-BUXKBTBVSA-N 0 1 389.477 2.942 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000263036269 601938981 /nfs/dbraw/zinc/93/89/81/601938981.db2.gz DEIDTOXOAUVLPM-SFHVURJKSA-N 0 1 384.398 2.993 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000829872880 601948425 /nfs/dbraw/zinc/94/84/25/601948425.db2.gz BNEDKNXLFMQPAO-BBATYDOGSA-N 0 1 382.482 2.611 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119573 601955924 /nfs/dbraw/zinc/95/59/24/601955924.db2.gz XGLPEZRNVYNMDT-HNAYVOBHSA-N 0 1 387.505 2.852 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119573 601955925 /nfs/dbraw/zinc/95/59/25/601955925.db2.gz XGLPEZRNVYNMDT-HNAYVOBHSA-N 0 1 387.505 2.852 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740644600 601965086 /nfs/dbraw/zinc/96/50/86/601965086.db2.gz VDQCRSLMCUKXQN-SECBINFHSA-N 0 1 379.766 2.887 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740644600 601965089 /nfs/dbraw/zinc/96/50/89/601965089.db2.gz VDQCRSLMCUKXQN-SECBINFHSA-N 0 1 379.766 2.887 20 0 GFADMN CC[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000739258328 602010858 /nfs/dbraw/zinc/01/08/58/602010858.db2.gz RWVVBVDNSKUXQT-IBGZPJMESA-N 0 1 388.512 2.513 20 0 GFADMN NC(=O)c1cc([C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000833084667 602046289 /nfs/dbraw/zinc/04/62/89/602046289.db2.gz MEKAFVNUEZSXBD-PSLIRLAXSA-N 0 1 397.262 2.821 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739645885 602063020 /nfs/dbraw/zinc/06/30/20/602063020.db2.gz ZCPDTOBYPYZVDA-WMLDXEAASA-N 0 1 396.919 2.974 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)C1 ZINC000739112966 602080162 /nfs/dbraw/zinc/08/01/62/602080162.db2.gz UNJIEVVQHMVDLI-IAGOWNOFSA-N 0 1 388.512 2.718 20 0 GFADMN C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738976274 602086324 /nfs/dbraw/zinc/08/63/24/602086324.db2.gz UURFLZRQTYOAQZ-SJLPKXTDSA-N 0 1 388.512 2.513 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000833286035 602248880 /nfs/dbraw/zinc/24/88/80/602248880.db2.gz MYFAXPFKZCETIM-DLBZAZTESA-N 0 1 387.436 2.574 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000833286035 602248882 /nfs/dbraw/zinc/24/88/82/602248882.db2.gz MYFAXPFKZCETIM-DLBZAZTESA-N 0 1 387.436 2.574 20 0 GFADMN COc1ccc(CN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)[O-])C2CC2)cc1 ZINC000739905523 602265098 /nfs/dbraw/zinc/26/50/98/602265098.db2.gz SNSLEHSEDONELT-BEFAXECRSA-N 0 1 389.496 2.697 20 0 GFADMN COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H](C)NC(=O)[O-])n2)c(OC)c1 ZINC000739881979 602274912 /nfs/dbraw/zinc/27/49/12/602274912.db2.gz GHEPUYJNODSGII-WFASDCNBSA-N 0 1 390.440 2.764 20 0 GFADMN COc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H](C)NC(=O)[O-])n2)c(OC)c1 ZINC000739881979 602274914 /nfs/dbraw/zinc/27/49/14/602274914.db2.gz GHEPUYJNODSGII-WFASDCNBSA-N 0 1 390.440 2.764 20 0 GFADMN COc1cc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)ccc1NC(=O)[O-] ZINC000739864395 602292706 /nfs/dbraw/zinc/29/27/06/602292706.db2.gz BYGFYRYBVPIGQE-LJQANCHMSA-N 0 1 398.463 2.712 20 0 GFADMN O=C([O-])N1CC=C(n2c3ccccc3n(C[N@@H+]3CCC[C@@H]3C3CC3)c2=O)CC1 ZINC000740490826 602315251 /nfs/dbraw/zinc/31/52/51/602315251.db2.gz XBQLWMPSCBIUEX-QGZVFWFLSA-N 0 1 382.464 2.860 20 0 GFADMN O=C([O-])N1CC=C(n2c3ccccc3n(C[N@H+]3CCC[C@@H]3C3CC3)c2=O)CC1 ZINC000740490826 602315254 /nfs/dbraw/zinc/31/52/54/602315254.db2.gz XBQLWMPSCBIUEX-QGZVFWFLSA-N 0 1 382.464 2.860 20 0 GFADMN CN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830676597 602341178 /nfs/dbraw/zinc/34/11/78/602341178.db2.gz SZYMEYIXGVXRBW-FQEVSTJZSA-N 0 1 396.491 2.599 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CCCCC1 ZINC000833104776 602346310 /nfs/dbraw/zinc/34/63/10/602346310.db2.gz FAYNQOSTFFIMIX-IAGOWNOFSA-N 0 1 392.496 2.851 20 0 GFADMN O=C([O-])NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000740628836 602376711 /nfs/dbraw/zinc/37/67/11/602376711.db2.gz DRBOZDPXTOJEGH-GFCCVEGCSA-N 0 1 384.274 2.757 20 0 GFADMN Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(CN(C)C(=O)[O-])CC3)c2C)no1 ZINC000740054803 602385768 /nfs/dbraw/zinc/38/57/68/602385768.db2.gz NROHDNRANOTTJR-UHFFFAOYSA-N 0 1 388.468 2.895 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)c1ccco1 ZINC000739604523 602454326 /nfs/dbraw/zinc/45/43/26/602454326.db2.gz YDFHYRFPLMTNTR-QGZVFWFLSA-N 0 1 385.464 2.710 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000739661691 602578177 /nfs/dbraw/zinc/57/81/77/602578177.db2.gz UCXNBBGATFEUBF-NWDGAFQWSA-N 0 1 377.268 2.665 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000740673686 602593627 /nfs/dbraw/zinc/59/36/27/602593627.db2.gz DZKYGYMZTRXNBA-IBGZPJMESA-N 0 1 383.448 2.591 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000740711318 602603071 /nfs/dbraw/zinc/60/30/71/602603071.db2.gz YOYOSFXFVMWEAM-UHFFFAOYSA-N 0 1 384.436 2.930 20 0 GFADMN C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000739105259 602615128 /nfs/dbraw/zinc/61/51/28/602615128.db2.gz OQNPEMBCHKMRLK-CVEARBPZSA-N 0 1 376.501 2.859 20 0 GFADMN O=C([O-])N1CC[C@@H](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000740499909 602720415 /nfs/dbraw/zinc/72/04/15/602720415.db2.gz HHCSKPOBAKYSOG-GOSISDBHSA-N 0 1 380.533 2.674 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739507519 602790967 /nfs/dbraw/zinc/79/09/67/602790967.db2.gz UULCOGCGLJPRGS-BHYGNILZSA-N 0 1 377.485 2.631 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739507519 602790968 /nfs/dbraw/zinc/79/09/68/602790968.db2.gz UULCOGCGLJPRGS-BHYGNILZSA-N 0 1 377.485 2.631 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)CCC(C)(C)NC(=O)[O-])CC2)cc1 ZINC000739906772 602821531 /nfs/dbraw/zinc/82/15/31/602821531.db2.gz MVPZNUYXTSNXSZ-UHFFFAOYSA-N 0 1 377.485 2.556 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC[C@H]1NC(=O)[O-] ZINC000739137230 602833594 /nfs/dbraw/zinc/83/35/94/602833594.db2.gz PXUNRLVDQQKJTI-BPQIPLTHSA-N 0 1 380.533 2.719 20 0 GFADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000739965189 602898137 /nfs/dbraw/zinc/89/81/37/602898137.db2.gz RGGCNQDPWSTLND-SFHVURJKSA-N 0 1 377.485 2.583 20 0 GFADMN Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)C1=O ZINC000740081738 602992104 /nfs/dbraw/zinc/99/21/04/602992104.db2.gz IQTBIJZKCCSELK-YJBOKZPZSA-N 0 1 377.460 2.951 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC(CNC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739056421 603030927 /nfs/dbraw/zinc/03/09/27/603030927.db2.gz JQQOOBARPRPNQM-OAHLLOKOSA-N 0 1 390.484 2.591 20 0 GFADMN CC[C@@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000739257690 603093651 /nfs/dbraw/zinc/09/36/51/603093651.db2.gz KIHZFRDGGJWPGK-ACBHZAAOSA-N 0 1 388.512 2.701 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740396549 603133753 /nfs/dbraw/zinc/13/37/53/603133753.db2.gz AGJMLYBJTVPHIZ-GJZGRUSLSA-N 0 1 385.386 2.538 20 0 GFADMN C[C@H](c1ccc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739058520 603197526 /nfs/dbraw/zinc/19/75/26/603197526.db2.gz QJNZOTASHZYRHB-KYJSFNMBSA-N 0 1 375.469 2.845 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000828259688 603223162 /nfs/dbraw/zinc/22/31/62/603223162.db2.gz NKXHJHOQNRZIFV-HNNXBMFYSA-N 0 1 388.493 2.505 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)CC[N@H+]1C ZINC000739080434 603275971 /nfs/dbraw/zinc/27/59/71/603275971.db2.gz CMNQFHQWWMDRKR-AEFFLSMTSA-N 0 1 388.512 2.552 20 0 GFADMN C[C@H]1C[C@@H](N(C)C(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)CC[N@H+]1C ZINC000739080440 603275999 /nfs/dbraw/zinc/27/59/99/603275999.db2.gz CMNQFHQWWMDRKR-WMZOPIPTSA-N 0 1 388.512 2.552 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739715834 603278083 /nfs/dbraw/zinc/27/80/83/603278083.db2.gz RJQKVXAXZCGPKU-RBUKOAKNSA-N 0 1 385.464 2.964 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739715834 603278087 /nfs/dbraw/zinc/27/80/87/603278087.db2.gz RJQKVXAXZCGPKU-RBUKOAKNSA-N 0 1 385.464 2.964 20 0 GFADMN O=C([O-])N[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000740532005 603287590 /nfs/dbraw/zinc/28/75/90/603287590.db2.gz LQMGDKAVOIYJCK-MRXNPFEDSA-N 0 1 393.896 2.885 20 0 GFADMN O=C([O-])N[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000740532005 603287592 /nfs/dbraw/zinc/28/75/92/603287592.db2.gz LQMGDKAVOIYJCK-MRXNPFEDSA-N 0 1 393.896 2.885 20 0 GFADMN Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830217388 603310973 /nfs/dbraw/zinc/31/09/73/603310973.db2.gz VPVDWJKUZGEWPT-UHFFFAOYSA-N 0 1 382.464 2.637 20 0 GFADMN CCN(Cc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000739448265 603351713 /nfs/dbraw/zinc/35/17/13/603351713.db2.gz RHMGYWHWGIUEJF-KRWDZBQOSA-N 0 1 390.484 2.515 20 0 GFADMN CCN(Cc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(=O)[O-] ZINC000739448258 603351759 /nfs/dbraw/zinc/35/17/59/603351759.db2.gz RFZPIRPZFLWAOR-SFHVURJKSA-N 0 1 392.500 2.665 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2(NC(=O)[O-])CCCCC2)C1 ZINC000739559230 603372163 /nfs/dbraw/zinc/37/21/63/603372163.db2.gz XXHHEKVMZYYHIW-OAHLLOKOSA-N 0 1 377.489 2.763 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@@H]1NC(=O)[O-] ZINC000739180339 603415183 /nfs/dbraw/zinc/41/51/83/603415183.db2.gz FFCACPNZZOLHCQ-MFKMUULPSA-N 0 1 385.258 2.698 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@@H]1NC(=O)[O-] ZINC000739180339 603415186 /nfs/dbraw/zinc/41/51/86/603415186.db2.gz FFCACPNZZOLHCQ-MFKMUULPSA-N 0 1 385.258 2.698 20 0 GFADMN O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000832248703 603439986 /nfs/dbraw/zinc/43/99/86/603439986.db2.gz YQECDQHRFWYTBM-WBVHZDCISA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000832248703 603439988 /nfs/dbraw/zinc/43/99/88/603439988.db2.gz YQECDQHRFWYTBM-WBVHZDCISA-N 0 1 379.888 2.811 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])cn1 ZINC000830824461 603483769 /nfs/dbraw/zinc/48/37/69/603483769.db2.gz LCXONSZPBICPHX-KRWDZBQOSA-N 0 1 379.420 2.783 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000825976838 603497212 /nfs/dbraw/zinc/49/72/12/603497212.db2.gz XYBRUGZRDKTUTR-ZTFGCOKTSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000825976838 603497215 /nfs/dbraw/zinc/49/72/15/603497215.db2.gz XYBRUGZRDKTUTR-ZTFGCOKTSA-N 0 1 377.460 2.685 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000823617949 603550704 /nfs/dbraw/zinc/55/07/04/603550704.db2.gz QYKAMTRSNMAIFQ-ZWKOTPCHSA-N 0 1 388.468 2.580 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000823617949 603550708 /nfs/dbraw/zinc/55/07/08/603550708.db2.gz QYKAMTRSNMAIFQ-ZWKOTPCHSA-N 0 1 388.468 2.580 20 0 GFADMN CCC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826897109 603557320 /nfs/dbraw/zinc/55/73/20/603557320.db2.gz HMENFKWLFGINLT-CYBMUJFWSA-N 0 1 376.482 2.723 20 0 GFADMN CCC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826897109 603557321 /nfs/dbraw/zinc/55/73/21/603557321.db2.gz HMENFKWLFGINLT-CYBMUJFWSA-N 0 1 376.482 2.723 20 0 GFADMN CCN(CC1CC[NH+](CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1)C(=O)[O-] ZINC000827099090 603600504 /nfs/dbraw/zinc/60/05/04/603600504.db2.gz LGNHVYUAQQYDSY-SFHVURJKSA-N 0 1 375.469 2.719 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830085978 603731761 /nfs/dbraw/zinc/73/17/61/603731761.db2.gz WBKNGXLFYKKZFD-BEFAXECRSA-N 0 1 388.512 2.902 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830085978 603731766 /nfs/dbraw/zinc/73/17/66/603731766.db2.gz WBKNGXLFYKKZFD-BEFAXECRSA-N 0 1 388.512 2.902 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])[C@@H]1c1cccs1 ZINC000828472189 603779099 /nfs/dbraw/zinc/77/90/99/603779099.db2.gz NCJRXEQEQXJXRI-IIAWOOMASA-N 0 1 380.514 2.573 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])[C@H]1c1cccs1 ZINC000828472195 603779251 /nfs/dbraw/zinc/77/92/51/603779251.db2.gz NCJRXEQEQXJXRI-YCPHGPKFSA-N 0 1 380.514 2.573 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000825416131 603863755 /nfs/dbraw/zinc/86/37/55/603863755.db2.gz JURXRONSVSISRP-QVKFZJNVSA-N 0 1 383.448 2.591 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825790170 603904225 /nfs/dbraw/zinc/90/42/25/603904225.db2.gz UAMFLFGLQJRRCR-SYNHAJSKSA-N 0 1 377.460 2.590 20 0 GFADMN CC1(C)C(=O)N(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000825696596 603912858 /nfs/dbraw/zinc/91/28/58/603912858.db2.gz MLMPREMHDZNVAR-SFHVURJKSA-N 0 1 389.496 2.692 20 0 GFADMN Cc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1NC(=O)[O-] ZINC000830204416 603924920 /nfs/dbraw/zinc/92/49/20/603924920.db2.gz FSACIAJUHCFUQH-HNNXBMFYSA-N 0 1 375.469 2.848 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000828382491 603934322 /nfs/dbraw/zinc/93/43/22/603934322.db2.gz GYULEUACJCJGGI-VQTJNVASSA-N 0 1 381.476 2.598 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)c2)C[C@@H](C)O1 ZINC000826068418 603949311 /nfs/dbraw/zinc/94/93/11/603949311.db2.gz OUVRYEUYQXJZQX-SXGZJXTBSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825630605 603982671 /nfs/dbraw/zinc/98/26/71/603982671.db2.gz SLESBJXUNXGPRM-YUELXQCFSA-N 0 1 381.423 2.701 20 0 GFADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825630605 603982674 /nfs/dbraw/zinc/98/26/74/603982674.db2.gz SLESBJXUNXGPRM-YUELXQCFSA-N 0 1 381.423 2.701 20 0 GFADMN C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828416120 603984707 /nfs/dbraw/zinc/98/47/07/603984707.db2.gz CVFLIHFWUPHVEJ-UHFFFAOYSA-N 0 1 388.493 2.899 20 0 GFADMN C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828416120 603984711 /nfs/dbraw/zinc/98/47/11/603984711.db2.gz CVFLIHFWUPHVEJ-UHFFFAOYSA-N 0 1 388.493 2.899 20 0 GFADMN CN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CCN(C(=O)[O-])CC1 ZINC000827995432 604022796 /nfs/dbraw/zinc/02/27/96/604022796.db2.gz SXPFPWZEHQLOKT-INIZCTEOSA-N 0 1 382.892 2.727 20 0 GFADMN 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JXYDGNIVZQLHCP-LLVKDONJSA-N 0 1 379.258 2.929 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000834225286 605575690 /nfs/dbraw/zinc/57/56/90/605575690.db2.gz JXYDGNIVZQLHCP-LLVKDONJSA-N 0 1 379.258 2.929 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000833819861 605670590 /nfs/dbraw/zinc/67/05/90/605670590.db2.gz WKJUCOIUMANVME-HEHGZKQESA-N 0 1 382.892 2.630 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000827399394 605692191 /nfs/dbraw/zinc/69/21/91/605692191.db2.gz GALPEMDYDRPKOY-MAUKXSAKSA-N 0 1 377.485 2.952 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2CSCCN2C(=O)[O-])cc1 ZINC000830818683 605710514 /nfs/dbraw/zinc/71/05/14/605710514.db2.gz OTDFTSOQUDTMDH-GUYCJALGSA-N 0 1 388.493 2.843 20 0 GFADMN CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCN(C(=O)[O-])CC1 ZINC000826856159 605819600 /nfs/dbraw/zinc/81/96/00/605819600.db2.gz CLUITMGJUOLYMA-SFHVURJKSA-N 0 1 388.512 2.675 20 0 GFADMN O=C([O-])c1cc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)on1 ZINC000833777725 605867791 /nfs/dbraw/zinc/86/77/91/605867791.db2.gz CKGKCKJPUDMBJS-UHFFFAOYSA-N 0 1 397.353 2.786 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000833828742 605883040 /nfs/dbraw/zinc/88/30/40/605883040.db2.gz FFVHLPZFYBXVRL-VHSXEESVSA-N 0 1 388.237 2.505 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000833828742 605883044 /nfs/dbraw/zinc/88/30/44/605883044.db2.gz FFVHLPZFYBXVRL-VHSXEESVSA-N 0 1 388.237 2.505 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833615808 605888736 /nfs/dbraw/zinc/88/87/36/605888736.db2.gz RTTVEZVPFWUNQY-ZDUSSCGKSA-N 0 1 395.887 2.748 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829343 605906810 /nfs/dbraw/zinc/90/68/10/605906810.db2.gz HLWOFQPNCMRMHO-GHMZBOCLSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829343 605906812 /nfs/dbraw/zinc/90/68/12/605906812.db2.gz HLWOFQPNCMRMHO-GHMZBOCLSA-N 0 1 375.347 2.502 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c(C(=O)[O-])c1 ZINC000833510801 605918877 /nfs/dbraw/zinc/91/88/77/605918877.db2.gz RHMPPYFGYBKOEI-HOCLYGCPSA-N 0 1 387.480 2.532 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(C(=O)[O-])c1 ZINC000833510801 605918879 /nfs/dbraw/zinc/91/88/79/605918879.db2.gz RHMPPYFGYBKOEI-HOCLYGCPSA-N 0 1 387.480 2.532 20 0 GFADMN C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000833831980 606018103 /nfs/dbraw/zinc/01/81/03/606018103.db2.gz UDCKPUNEROTNQF-NQIIRXRSSA-N 0 1 389.496 2.716 20 0 GFADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000823249673 606019610 /nfs/dbraw/zinc/01/96/10/606019610.db2.gz FZCCDTSCNHXDLW-IBGZPJMESA-N 0 1 394.454 2.677 20 0 GFADMN COC(=O)c1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)oc1C ZINC000821667990 606020529 /nfs/dbraw/zinc/02/05/29/606020529.db2.gz KAJBEYJAOUAQTO-UHFFFAOYSA-N 0 1 399.794 2.571 20 0 GFADMN O=C([O-])N1CCC(CCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000833990405 606036414 /nfs/dbraw/zinc/03/64/14/606036414.db2.gz ANBSLNNPMXZCHX-HXUWFJFHSA-N 0 1 387.524 2.837 20 0 GFADMN C[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)[N@H+](C)Cc1ccccc1 ZINC000833789794 606104296 /nfs/dbraw/zinc/10/42/96/606104296.db2.gz LMTRCURBIYWJIE-YOEHRIQHSA-N 0 1 382.464 2.666 20 0 GFADMN C[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)[N@@H+](C)Cc1ccccc1 ZINC000833789794 606104298 /nfs/dbraw/zinc/10/42/98/606104298.db2.gz LMTRCURBIYWJIE-YOEHRIQHSA-N 0 1 382.464 2.666 20 0 GFADMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643275 606112632 /nfs/dbraw/zinc/11/26/32/606112632.db2.gz SUXNGXMMWRNMAT-UKRRQHHQSA-N 0 1 382.493 2.820 20 0 GFADMN CN(CCCCc1ccccc1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821599103 606315587 /nfs/dbraw/zinc/31/55/87/606315587.db2.gz FWODESPNIOMNAP-KRWDZBQOSA-N 0 1 396.520 2.988 20 0 GFADMN O=C1[C@H](N2CCC[C@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503780 606323837 /nfs/dbraw/zinc/32/38/37/606323837.db2.gz ISSLATPUANUWHN-DNVCBOLYSA-N 0 1 384.509 2.856 20 0 GFADMN O=C(CCc1ccccc1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822982203 606334912 /nfs/dbraw/zinc/33/49/12/606334912.db2.gz BWDWYSRGMRACCD-UHFFFAOYSA-N 0 1 390.491 2.534 20 0 GFADMN C[C@]1(CCc2ccccc2)CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612236 606337528 /nfs/dbraw/zinc/33/75/28/606337528.db2.gz CECCPZTUBMYLJP-UGKGYDQZSA-N 0 1 390.491 2.738 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000823751975 606419012 /nfs/dbraw/zinc/41/90/12/606419012.db2.gz UWMFFBMAPQNANU-UHFFFAOYSA-N 0 1 385.493 2.914 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000823751975 606419014 /nfs/dbraw/zinc/41/90/14/606419014.db2.gz UWMFFBMAPQNANU-UHFFFAOYSA-N 0 1 385.493 2.914 20 0 GFADMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)ccc2NC1=O ZINC000821000925 606425859 /nfs/dbraw/zinc/42/58/59/606425859.db2.gz MADPQSBDLWDBIK-IINYFYTJSA-N 0 1 384.465 2.889 20 0 GFADMN CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)ccc2NC1=O ZINC000821000925 606425860 /nfs/dbraw/zinc/42/58/60/606425860.db2.gz MADPQSBDLWDBIK-IINYFYTJSA-N 0 1 384.465 2.889 20 0 GFADMN CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000821087566 606501896 /nfs/dbraw/zinc/50/18/96/606501896.db2.gz CWEUCQKQZVOWJO-ZDUSSCGKSA-N 0 1 380.443 2.632 20 0 GFADMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822015011 606504348 /nfs/dbraw/zinc/50/43/48/606504348.db2.gz BEUYRSDFKKJMIY-CQSZACIVSA-N 0 1 393.495 2.756 20 0 GFADMN C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CCN1Cc1ccccc1 ZINC000820717788 606544522 /nfs/dbraw/zinc/54/45/22/606544522.db2.gz WFEIPKQRHRGIOX-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN O=C(Nc1nnc(-c2ccsc2)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823382958 606674746 /nfs/dbraw/zinc/67/47/46/606674746.db2.gz HULIHYIIYSWLPC-UHFFFAOYSA-N 0 1 391.388 2.977 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000819877233 606717625 /nfs/dbraw/zinc/71/76/25/606717625.db2.gz RMMHILVPXAVUAN-YCRPNKLZSA-N 0 1 376.464 2.857 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821717612 606728293 /nfs/dbraw/zinc/72/82/93/606728293.db2.gz ROQIYRXKMCBADV-AWEZNQCLSA-N 0 1 398.442 2.709 20 0 GFADMN COc1cc(C[N@H+]2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821717612 606728294 /nfs/dbraw/zinc/72/82/94/606728294.db2.gz ROQIYRXKMCBADV-AWEZNQCLSA-N 0 1 398.442 2.709 20 0 GFADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000823356024 606742761 /nfs/dbraw/zinc/74/27/61/606742761.db2.gz IMPYRUYOZZCIKB-UHFFFAOYSA-N 0 1 399.374 2.578 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820758727 606748537 /nfs/dbraw/zinc/74/85/37/606748537.db2.gz CGGKCDIHHUSNGD-UOIKSKOESA-N 0 1 396.520 2.815 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820758727 606748538 /nfs/dbraw/zinc/74/85/38/606748538.db2.gz CGGKCDIHHUSNGD-UOIKSKOESA-N 0 1 396.520 2.815 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820758727 606748539 /nfs/dbraw/zinc/74/85/39/606748539.db2.gz CGGKCDIHHUSNGD-UOIKSKOESA-N 0 1 396.520 2.815 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820758727 606748540 /nfs/dbraw/zinc/74/85/40/606748540.db2.gz CGGKCDIHHUSNGD-UOIKSKOESA-N 0 1 396.520 2.815 20 0 GFADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000821589223 606751117 /nfs/dbraw/zinc/75/11/17/606751117.db2.gz DFMVPTJESVZCPB-UHFFFAOYSA-N 0 1 394.460 2.887 20 0 GFADMN FC(F)Oc1cc2c(cc1CNCc1cc(-c3nn[nH]n3)cs1)OCO2 ZINC000822733194 606772347 /nfs/dbraw/zinc/77/23/47/606772347.db2.gz SBLCUFJDXISMLQ-UHFFFAOYSA-N 0 1 381.364 2.548 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803984 606780399 /nfs/dbraw/zinc/78/03/99/606780399.db2.gz KQZURLBZFMTHFN-OAHLLOKOSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cccc2ccccc21 ZINC000820803984 606780400 /nfs/dbraw/zinc/78/04/00/606780400.db2.gz KQZURLBZFMTHFN-OAHLLOKOSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803984 606780401 /nfs/dbraw/zinc/78/04/01/606780401.db2.gz KQZURLBZFMTHFN-OAHLLOKOSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cccc2ccccc21 ZINC000820803984 606780402 /nfs/dbraw/zinc/78/04/02/606780402.db2.gz KQZURLBZFMTHFN-OAHLLOKOSA-N 0 1 386.463 2.521 20 0 GFADMN O[C@H](CSc1nc(-c2ccccc2F)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823698256 606846529 /nfs/dbraw/zinc/84/65/29/606846529.db2.gz OUHLVTCFJLOWEH-CQSZACIVSA-N 0 1 383.412 2.617 20 0 GFADMN O[C@@H](CNCc1ccc(F)cc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690359 606858452 /nfs/dbraw/zinc/85/84/52/606858452.db2.gz NVCNBFWOGGCLOU-HNNXBMFYSA-N 0 1 392.232 2.592 20 0 GFADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000821309028 607032572 /nfs/dbraw/zinc/03/25/72/607032572.db2.gz JMWJLESCRJJJMG-UHFFFAOYSA-N 0 1 376.417 2.547 20 0 GFADMN CCN(CC)[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC)c1ccccc1 ZINC000821175907 607087592 /nfs/dbraw/zinc/08/75/92/607087592.db2.gz ZEGXMYJFQQZHJJ-SFHVURJKSA-N 0 1 380.452 2.897 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000819875668 607177344 /nfs/dbraw/zinc/17/73/44/607177344.db2.gz BFQHDLGJIAUNQD-RDJZCZTQSA-N 0 1 391.479 2.770 20 0 GFADMN Cc1cccc(C)c1Oc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822299369 607210749 /nfs/dbraw/zinc/21/07/49/607210749.db2.gz GLRZWQBIWIUBOP-UHFFFAOYSA-N 0 1 390.407 2.506 20 0 GFADMN CC[C@H](CSc1ccccc1)N[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128267 607784556 /nfs/dbraw/zinc/78/45/56/607784556.db2.gz SIDUWKAKXGIMOH-WBVHZDCISA-N 0 1 382.493 2.554 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]2CCCC[C@@H]12 ZINC000824952816 607815390 /nfs/dbraw/zinc/81/53/90/607815390.db2.gz BHFADKLCNNSHAR-JLSDUUJJSA-N 0 1 389.525 2.541 20 0 GFADMN CCC(C)(C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825042883 608021866 /nfs/dbraw/zinc/02/18/66/608021866.db2.gz AWOUXSXIKJPFSY-UHFFFAOYSA-N 0 1 396.499 2.682 20 0 GFADMN CCC(C)(C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825042883 608021867 /nfs/dbraw/zinc/02/18/67/608021867.db2.gz AWOUXSXIKJPFSY-UHFFFAOYSA-N 0 1 396.499 2.682 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000824358148 608105494 /nfs/dbraw/zinc/10/54/94/608105494.db2.gz ADCDDDAITCEQMV-MRVPVSSYSA-N 0 1 375.824 2.644 20 0 GFADMN Cc1ccc([C@H]2CCN([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285802 608126852 /nfs/dbraw/zinc/12/68/52/608126852.db2.gz KGEPRIZRIDEHHZ-RDJZCZTQSA-N 0 1 394.504 2.831 20 0 GFADMN Cc1cc(C)cc([C@@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264065 608128415 /nfs/dbraw/zinc/12/84/15/608128415.db2.gz ARNOAABJLSHKBN-LJQANCHMSA-N 0 1 390.491 2.589 20 0 GFADMN Cc1scc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC000826350457 608292283 /nfs/dbraw/zinc/29/22/83/608292283.db2.gz WYLNTBHGVLIENG-UHFFFAOYSA-N 0 1 396.520 2.893 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC3(CCOCC3)C2)c1-c1nn[nH]n1 ZINC000826332229 608315188 /nfs/dbraw/zinc/31/51/88/608315188.db2.gz NOMLCXLTKPTOGN-UHFFFAOYSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332229 608315190 /nfs/dbraw/zinc/31/51/90/608315190.db2.gz NOMLCXLTKPTOGN-UHFFFAOYSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332229 608315192 /nfs/dbraw/zinc/31/51/92/608315192.db2.gz NOMLCXLTKPTOGN-UHFFFAOYSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332229 608315193 /nfs/dbraw/zinc/31/51/93/608315193.db2.gz NOMLCXLTKPTOGN-UHFFFAOYSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332229 608315195 /nfs/dbraw/zinc/31/51/95/608315195.db2.gz NOMLCXLTKPTOGN-UHFFFAOYSA-N 0 1 393.495 2.753 20 0 GFADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825435062 608357746 /nfs/dbraw/zinc/35/77/46/608357746.db2.gz KXPLTMQVGCZPLR-UHFFFAOYSA-N 0 1 394.479 2.599 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824108701 608387404 /nfs/dbraw/zinc/38/74/04/608387404.db2.gz JJJNNAOGCSBGFF-ZDUSSCGKSA-N 0 1 390.463 2.743 20 0 GFADMN C[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(OC(F)F)c1 ZINC000824564125 608442706 /nfs/dbraw/zinc/44/27/06/608442706.db2.gz RYEZZZRLMNHKJZ-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826230756 608460327 /nfs/dbraw/zinc/46/03/27/608460327.db2.gz IXTONEKYQZCHRN-CQSZACIVSA-N 0 1 396.520 2.898 20 0 GFADMN C[C@H](NCC(=O)Nc1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562077 608462305 /nfs/dbraw/zinc/46/23/05/608462305.db2.gz CQJALMVYBGJXDJ-NSHDSACASA-N 0 1 379.449 2.766 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029098 608468379 /nfs/dbraw/zinc/46/83/79/608468379.db2.gz CTKQOHUTYQDTIT-QWHCGFSZSA-N 0 1 378.436 2.747 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826169855 608475345 /nfs/dbraw/zinc/47/53/45/608475345.db2.gz HSEPHRXILSSAII-CYBMUJFWSA-N 0 1 394.435 2.683 20 0 GFADMN CSc1ccc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826230831 608532023 /nfs/dbraw/zinc/53/20/23/608532023.db2.gz LLZXJIDAOOPGFK-UHFFFAOYSA-N 0 1 380.477 2.806 20 0 GFADMN CCc1ccc(C(C)(C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825705131 608538334 /nfs/dbraw/zinc/53/83/34/608538334.db2.gz WOGMVAXYXRQXSL-UHFFFAOYSA-N 0 1 399.520 2.728 20 0 GFADMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000826216696 608538932 /nfs/dbraw/zinc/53/89/32/608538932.db2.gz KCDORFPPGCKURK-JTQLQIEISA-N 0 1 390.444 2.755 20 0 GFADMN CCN(Cc1cnc(N2CCCC2)nc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825444773 608550892 /nfs/dbraw/zinc/55/08/92/608550892.db2.gz QRTYTLSQFZKKQF-OAHLLOKOSA-N 0 1 378.484 2.840 20 0 GFADMN Fc1cccc(N2CCN(Cc3nccc4ccccc43)CC2)c1-c1nn[nH]n1 ZINC000826377064 608596433 /nfs/dbraw/zinc/59/64/33/608596433.db2.gz CQPOAQWWTHKJPI-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825826000 608693603 /nfs/dbraw/zinc/69/36/03/608693603.db2.gz RFMHMNAARLDKLG-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCS[C@H](c2ccccc2)C1 ZINC000826520610 608706403 /nfs/dbraw/zinc/70/64/03/608706403.db2.gz OBVSMHSDTCTDST-KRWDZBQOSA-N 0 1 377.477 2.805 20 0 GFADMN O=C(C[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826404954 608728708 /nfs/dbraw/zinc/72/87/08/608728708.db2.gz RAJWEWRTNCYDTM-KRWDZBQOSA-N 0 1 387.447 2.752 20 0 GFADMN Fc1ccc2ccnc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2c1 ZINC000826375822 608770038 /nfs/dbraw/zinc/77/00/38/608770038.db2.gz CWBTUPWUWFYDSQ-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824617050 609138510 /nfs/dbraw/zinc/13/85/10/609138510.db2.gz CHDAZDAVGXXUHL-LBPRGKRZSA-N 0 1 380.427 2.749 20 0 GFADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826455530 609218456 /nfs/dbraw/zinc/21/84/56/609218456.db2.gz SEDCLCXVMYTLMO-QGZVFWFLSA-N 0 1 389.419 2.683 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332360 609283456 /nfs/dbraw/zinc/28/34/56/609283456.db2.gz REZWNZGTTFGODE-GOSISDBHSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332360 609283459 /nfs/dbraw/zinc/28/34/59/609283459.db2.gz REZWNZGTTFGODE-GOSISDBHSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332360 609283461 /nfs/dbraw/zinc/28/34/61/609283461.db2.gz REZWNZGTTFGODE-GOSISDBHSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332360 609283463 /nfs/dbraw/zinc/28/34/63/609283463.db2.gz REZWNZGTTFGODE-GOSISDBHSA-N 0 1 393.495 2.752 20 0 GFADMN c1cc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)ncc1-c1nn[nH]n1 ZINC000826517010 609294260 /nfs/dbraw/zinc/29/42/60/609294260.db2.gz LYJORVQBIIIFOP-HNNXBMFYSA-N 0 1 379.472 2.812 20 0 GFADMN c1cc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ncc1-c1nn[nH]n1 ZINC000826517010 609294262 /nfs/dbraw/zinc/29/42/62/609294262.db2.gz LYJORVQBIIIFOP-HNNXBMFYSA-N 0 1 379.472 2.812 20 0 GFADMN O[C@@]12CCCC[C@H]1CN(Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506527 609365162 /nfs/dbraw/zinc/36/51/62/609365162.db2.gz WKPKVCURHKWOCE-WMLDXEAASA-N 0 1 392.301 2.756 20 0 GFADMN CCN(CC)CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000507011850 650453116 /nfs/dbraw/zinc/45/31/16/650453116.db2.gz AOHZNINXKMFFLS-UHFFFAOYSA-N 0 1 398.248 2.962 20 0 GFADMN O=C(c1cccc(I)c1O)N1CC[C@@H](O)CC12CCC2 ZINC000817678218 660205390 /nfs/dbraw/zinc/20/53/90/660205390.db2.gz SRGFBCBRNXBSJV-SNVBAGLBSA-N 0 1 387.217 2.516 20 0 GFADMN O=C(CNC[C@H](O)c1ccccc1Br)N1CCc2ccccc21 ZINC000818999595 660242695 /nfs/dbraw/zinc/24/26/95/660242695.db2.gz SYPGRDSNNUSADY-KRWDZBQOSA-N 0 1 375.266 2.661 20 0 GFADMN C[C@@](O)(CNCc1ccc(C(N)=O)o1)c1ccc(Br)cc1Cl ZINC000819128129 660247269 /nfs/dbraw/zinc/24/72/69/660247269.db2.gz FFXJHLFZWCUSKQ-OAHLLOKOSA-N 0 1 387.661 2.792 20 0 GFADMN CC(C)[C@@H](NC[C@@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304524 660254295 /nfs/dbraw/zinc/25/42/95/660254295.db2.gz WYXBSSXWFUGFEF-GDBMZVCRSA-N 0 1 385.281 2.911 20 0 GFADMN CS(=O)(=O)c1ccc(CNC[C@H](O)c2ccc(Br)cc2)s1 ZINC000819255787 660252078 /nfs/dbraw/zinc/25/20/78/660252078.db2.gz DFBIJVZPJAWDJR-ZDUSSCGKSA-N 0 1 390.324 2.737 20 0 GFADMN CC(C)(C)N1CCc2nc(NC(=O)CSc3cccc[n+]3[O-])sc2C1 ZINC000819677560 660266662 /nfs/dbraw/zinc/26/66/62/660266662.db2.gz BCVCJYHMXSXNRC-UHFFFAOYSA-N 0 1 378.523 2.664 20 0 GFADMN O=C(c1sc(N2CCCC2)nc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000819965907 660276608 /nfs/dbraw/zinc/27/66/08/660276608.db2.gz ICNLOOKQEFUSFC-SECBINFHSA-N 0 1 383.861 2.505 20 0 GFADMN O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000819970666 660276973 /nfs/dbraw/zinc/27/69/73/660276973.db2.gz PFVZVXGQCIEAMS-SSDOTTSWSA-N 0 1 387.621 2.606 20 0 GFADMN O=C(Nc1cc2c(cc1Br)OCCO2)[C@H]1CCc2[nH]cnc2C1 ZINC000820103842 660281097 /nfs/dbraw/zinc/28/10/97/660281097.db2.gz GZPCNSUZYGLIED-VIFPVBQESA-N 0 1 378.226 2.687 20 0 GFADMN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(Br)n[nH]2)c1 ZINC000820230355 660285616 /nfs/dbraw/zinc/28/56/16/660285616.db2.gz FAJSFKPAZWVPHL-UHFFFAOYSA-N 0 1 392.257 2.514 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2c(Cl)nc3cc(Cl)ccn32)C[C@@H](C)O1 ZINC000820217859 660285417 /nfs/dbraw/zinc/28/54/17/660285417.db2.gz VBZOYFNXHBWCFI-VXGBXAGGSA-N 0 1 385.295 2.870 20 0 GFADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1cccc(Br)c1 ZINC000820275074 660287255 /nfs/dbraw/zinc/28/72/55/660287255.db2.gz NAPMTGBIMOQXDL-SNVBAGLBSA-N 0 1 378.230 2.779 20 0 GFADMN Nc1cc(-c2noc(-c3cc(-c4ccc(Br)cc4)n[nH]3)n2)ncn1 ZINC000820988809 660312116 /nfs/dbraw/zinc/31/21/16/660312116.db2.gz ZAGWNOWWMIZONK-UHFFFAOYSA-N 0 1 384.197 2.928 20 0 GFADMN CCc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 ZINC000821186318 660318215 /nfs/dbraw/zinc/31/82/15/660318215.db2.gz WJOIMRYOIIXRJE-UHFFFAOYSA-N 0 1 389.882 2.812 20 0 GFADMN O=C(C[C@@H]1CCCS1(=O)=O)Nc1cc(Br)cc(Cl)c1O ZINC000821399992 660324530 /nfs/dbraw/zinc/32/45/30/660324530.db2.gz SVCPWYQXEQUPKS-QMMMGPOBSA-N 0 1 382.663 2.714 20 0 GFADMN COc1cccc([C@H](CNC(=O)Nc2cc(Br)nn2C)N(C)C)c1 ZINC000821466202 660326825 /nfs/dbraw/zinc/32/68/25/660326825.db2.gz HRISBGPQQAFZQZ-ZDUSSCGKSA-N 0 1 396.289 2.616 20 0 GFADMN CCS(=O)(=O)C[C@H](C)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453652 660372441 /nfs/dbraw/zinc/37/24/41/660372441.db2.gz WBUVFSYWSGNWJU-HRCADAONSA-N 0 1 376.563 2.777 20 0 GFADMN O=C(c1cnn(Cc2ccccc2)c1Br)N1CC(N2CCCC2)C1 ZINC000824864988 660403748 /nfs/dbraw/zinc/40/37/48/660403748.db2.gz BELYRWJNSHNGSC-UHFFFAOYSA-N 0 1 389.297 2.614 20 0 GFADMN Cc1ccc(-c2ncc(CNCCS(=O)(=O)C3CCOCC3)s2)cc1 ZINC000824897552 660404448 /nfs/dbraw/zinc/40/44/48/660404448.db2.gz XMUHIDRMBVAFEW-UHFFFAOYSA-N 0 1 380.535 2.802 20 0 GFADMN O=S(=O)(CCNCc1ccc(Br)c(Cl)c1)C1CCOCC1 ZINC000824903694 660404682 /nfs/dbraw/zinc/40/46/82/660404682.db2.gz JTFAAOTUBOVXAJ-UHFFFAOYSA-N 0 1 396.734 2.786 20 0 GFADMN CC(C)(C)CCN1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825384017 660424390 /nfs/dbraw/zinc/42/43/90/660424390.db2.gz FIRTZVVZWHKYSW-UHFFFAOYSA-N 0 1 383.334 2.786 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Br)n(C)n1 ZINC000826032904 660448188 /nfs/dbraw/zinc/44/81/88/660448188.db2.gz NTMZXKGYPGNVMX-AWEZNQCLSA-N 0 1 391.313 2.919 20 0 GFADMN O=C(c1cccc(I)c1O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000827128210 660480267 /nfs/dbraw/zinc/48/02/67/660480267.db2.gz IGUJUNPXIXYMRM-NXEZZACHSA-N 0 1 389.258 2.822 20 0 GFADMN OCCCCN1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000827675491 660508302 /nfs/dbraw/zinc/50/83/02/660508302.db2.gz UAADASGOANUELH-UHFFFAOYSA-N 0 1 382.224 2.757 20 0 GFADMN Cc1[nH]nc(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)c1Br ZINC000829067478 660580386 /nfs/dbraw/zinc/58/03/86/660580386.db2.gz ADMXLQUPZLNECN-LBPRGKRZSA-N 0 1 376.258 2.500 20 0 GFADMN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCc2nc[nH]c2C12CCC2 ZINC000829070912 660580605 /nfs/dbraw/zinc/58/06/05/660580605.db2.gz MLDRUHQHIKMVIO-OAHLLOKOSA-N 0 1 388.265 2.940 20 0 GFADMN O=C(NC1(c2csc(CCN3CCCC3=O)n2)CCCC1)C(F)(F)F ZINC000829609913 660602881 /nfs/dbraw/zinc/60/28/81/660602881.db2.gz WXFHPNYIJQLWPV-UHFFFAOYSA-N 0 1 375.416 2.756 20 0 GFADMN O=C([N-][C@@H]1CCO[C@H]1C1CC[NH+](C/C(Cl)=C\Cl)CC1)C(F)(F)F ZINC000831550729 660712611 /nfs/dbraw/zinc/71/26/11/660712611.db2.gz PSZGGRNIDGLQRJ-XJUJAYADSA-N 0 1 375.218 2.853 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000831614393 660715192 /nfs/dbraw/zinc/71/51/92/660715192.db2.gz WIDXPNYKSPSQIE-UHFFFAOYSA-N 0 1 390.237 2.873 20 0 GFADMN CCN1CCN(CC(C)(C)NS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000832679525 660794760 /nfs/dbraw/zinc/79/47/60/660794760.db2.gz GGMBZYVCVILFLQ-ZROIWOOFSA-N 0 1 385.961 2.646 20 0 GFADMN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cc(Br)[nH]n2)n1 ZINC000834368144 660816727 /nfs/dbraw/zinc/81/67/27/660816727.db2.gz FTSRRXIDJNYJIV-JTQLQIEISA-N 0 1 399.270 2.783 20 0 GFADMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)c(I)c1 ZINC000834562645 660824923 /nfs/dbraw/zinc/82/49/23/660824923.db2.gz UBPNFLIWWQVCGJ-VIFPVBQESA-N 0 1 385.242 2.516 20 0 GFADMN C[C@H](NCCS(=O)(=O)C1CCOCC1)c1ccc(Br)s1 ZINC000834887579 660837102 /nfs/dbraw/zinc/83/71/02/660837102.db2.gz UUTFXERVBKHXDH-JTQLQIEISA-N 0 1 382.345 2.755 20 0 GFADMN COc1c(C)cc([C@H](C)NCCS(=O)(=O)C2CCOCC2)cc1Cl ZINC000834890345 660837167 /nfs/dbraw/zinc/83/71/67/660837167.db2.gz MPUPHCVHTJTSSF-ZDUSSCGKSA-N 0 1 375.918 2.901 20 0 GFADMN CC[C@@H](NCCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1OC ZINC000834891274 660837295 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COc1cc(Br)c([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1O ZINC000007126779 654463787 /nfs/dbraw/zinc/46/37/87/654463787.db2.gz BLWWLNBOTJEFLT-AWEZNQCLSA-N 0 1 388.225 2.609 20 0 GFADMN CCNC(=S)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000007505586 654472058 /nfs/dbraw/zinc/47/20/58/654472058.db2.gz FVFJWFWXRQSSGW-UHFFFAOYSA-N 0 1 383.470 2.941 20 0 GFADMN COc1ccc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000008346677 654482996 /nfs/dbraw/zinc/48/29/96/654482996.db2.gz QDGJJKPHGCJOFM-UHFFFAOYSA-N 0 1 390.795 2.544 20 0 GFADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836905638 660953467 /nfs/dbraw/zinc/95/34/67/660953467.db2.gz RRVMDTWMGSYXAS-CZUORRHYSA-N 0 1 389.327 2.573 20 0 GFADMN COC(=O)c1sc(S(=O)(=O)Nc2ccccc2F)c(C(=O)OC)c1C ZINC000016101596 654514768 /nfs/dbraw/zinc/51/47/68/654514768.db2.gz GKUDETOEHBIAIP-UHFFFAOYSA-N 0 1 387.410 2.570 20 0 GFADMN CCN(CC(=O)NC[C@H]1CN(CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517904 /nfs/dbraw/zinc/51/79/04/654517904.db2.gz 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/nfs/dbraw/zinc/44/64/00/655446400.db2.gz GAIYKZONKNBNFA-DYVFJYSZSA-N 0 1 383.275 2.858 20 0 GFADMN C[C@@H](O)[C@H]1CCCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C1 ZINC000576444323 655447764 /nfs/dbraw/zinc/44/77/64/655447764.db2.gz GUTBOBWVMICRJA-MNOVXSKESA-N 0 1 381.274 2.628 20 0 GFADMN C[C@H](CNC(=O)c1csc(-c2ccccc2Cl)n1)N1CCN(C)CC1 ZINC000263889951 655453386 /nfs/dbraw/zinc/45/33/86/655453386.db2.gz ZCVQCXSBCZAISZ-CYBMUJFWSA-N 0 1 378.929 2.829 20 0 GFADMN C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3Br)nn2)C[C@@H]1C(=O)[O-] ZINC000577063318 655456871 /nfs/dbraw/zinc/45/68/71/655456871.db2.gz ZVYHRXDMDWPRFL-YPMHNXCESA-N 0 1 379.258 2.572 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C[C@@H]1C(=O)[O-] ZINC000577063318 655456873 /nfs/dbraw/zinc/45/68/73/655456873.db2.gz ZVYHRXDMDWPRFL-YPMHNXCESA-N 0 1 379.258 2.572 20 0 GFADMN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CC[C@H](C(=O)N(C)C)C2)n1 ZINC000840173696 661143858 /nfs/dbraw/zinc/14/38/58/661143858.db2.gz FKEINUAKFZMMBD-ZDUSSCGKSA-N 0 1 382.295 2.928 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000264459789 655464150 /nfs/dbraw/zinc/46/41/50/655464150.db2.gz RLRMYLXBMZNMPG-ZDUSSCGKSA-N 0 1 378.929 2.829 20 0 GFADMN COC(=O)COc1cccc(NS(=O)(=O)c2ccc(OC)cc2Cl)c1 ZINC000577674626 655464488 /nfs/dbraw/zinc/46/44/88/655464488.db2.gz PBPLNTJRUAOOBQ-UHFFFAOYSA-N 0 1 385.825 2.701 20 0 GFADMN Cc1cc(Br)c([O-])c(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000578235156 655474699 /nfs/dbraw/zinc/47/46/99/655474699.db2.gz MEKIHFHGJNWTCI-NCAQKEMTSA-N 0 1 383.286 2.934 20 0 GFADMN COc1ncc(Br)cc1Cc1noc(C23CCCN2CCC3)n1 ZINC000578508313 655480686 /nfs/dbraw/zinc/48/06/86/655480686.db2.gz KHFROPFYPISMEU-UHFFFAOYSA-N 0 1 379.258 2.911 20 0 GFADMN O=S(=O)(Nc1n[nH]cc1Br)c1cccc(Br)c1F ZINC000578568689 655481930 /nfs/dbraw/zinc/48/19/30/655481930.db2.gz YIJKTCOEYRNNKM-UHFFFAOYSA-N 0 1 399.039 2.875 20 0 GFADMN COCC[C@]1(NCCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000578616277 655483013 /nfs/dbraw/zinc/48/30/13/655483013.db2.gz YYKGCHBNIPGSKK-HNNXBMFYSA-N 0 1 382.309 2.552 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)N1CCCC1 ZINC000578713924 655485285 /nfs/dbraw/zinc/48/52/85/655485285.db2.gz AHUVRXFWHOBCLZ-SNVBAGLBSA-N 0 1 381.723 2.865 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000579090923 655493576 /nfs/dbraw/zinc/49/35/76/655493576.db2.gz IQFXEABCWSMFPG-ZYHUDNBSSA-N 0 1 378.274 2.692 20 0 GFADMN Cc1nnc([C@@H]2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)[nH]1 ZINC000579090923 655493578 /nfs/dbraw/zinc/49/35/78/655493578.db2.gz IQFXEABCWSMFPG-ZYHUDNBSSA-N 0 1 378.274 2.692 20 0 GFADMN O=C(NCCN1CC=CCC1)c1ccccc1-n1cc(Br)cn1 ZINC000579555609 655501315 /nfs/dbraw/zinc/50/13/15/655501315.db2.gz YFJMKLLBKKTOGN-UHFFFAOYSA-N 0 1 375.270 2.627 20 0 GFADMN O=C(NCCCCN1CCOCC1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000579746184 655503475 /nfs/dbraw/zinc/50/34/75/655503475.db2.gz LWOWIXHKZFHWNS-UHFFFAOYSA-N 0 1 375.847 2.843 20 0 GFADMN COc1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)c(I)c1 ZINC000840294718 661152212 /nfs/dbraw/zinc/15/22/12/661152212.db2.gz RZMBFUQMKWQCLJ-ZETCQYMHSA-N 0 1 387.177 2.644 20 0 GFADMN CCOC(=O)c1cc(NC(=O)Cc2sc(C)nc2-c2cccs2)n[nH]1 ZINC000597476047 655520841 /nfs/dbraw/zinc/52/08/41/655520841.db2.gz DQNQPOWTXDVXGR-UHFFFAOYSA-N 0 1 376.463 3.261 20 0 GFADMN C[NH+](C)C1(C)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000709882790 655522373 /nfs/dbraw/zinc/52/23/73/655522373.db2.gz MZMQEKURMJUFHR-UHFFFAOYSA-N 0 1 388.249 2.553 20 0 GFADMN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Br)cc(Br)c1 ZINC000711765267 655522587 /nfs/dbraw/zinc/52/25/87/655522587.db2.gz RHOSEZHTHBOMJC-PELKAZGASA-N 0 1 397.132 2.734 20 0 GFADMN Cn1cc(CNCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)n1 ZINC000712461298 655522646 /nfs/dbraw/zinc/52/26/46/655522646.db2.gz HGEFXLIPHVEZEF-GFCCVEGCSA-N 0 1 387.322 2.919 20 0 GFADMN Cc1nc([C@H](C)OC(=O)c2cc(I)c(F)cc2F)n[nH]1 ZINC000840335513 661155130 /nfs/dbraw/zinc/15/51/30/661155130.db2.gz PSWOKOOJVDJSJW-YFKPBYRVSA-N 0 1 393.131 2.914 20 0 GFADMN Cc1[nH]nc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1Br ZINC000727371401 655544625 /nfs/dbraw/zinc/54/46/25/655544625.db2.gz TWDVAYXSGKHWMA-LLVKDONJSA-N 0 1 395.282 2.634 20 0 GFADMN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000728021654 655551736 /nfs/dbraw/zinc/55/17/36/655551736.db2.gz IZJFCZVTRKUISS-JQURRVOSSA-N 0 1 381.567 2.725 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1c[nH]c2ccc(Br)cc12 ZINC000728207326 655553730 /nfs/dbraw/zinc/55/37/30/655553730.db2.gz MCOZUGMCPQNZTR-OAHLLOKOSA-N 0 1 397.236 2.963 20 0 GFADMN O=C1C(=O)N(c2ccc(Br)cc2)C(=O)N1CN1CCC[C@H]1C1CC1 ZINC000728559828 655556555 /nfs/dbraw/zinc/55/65/55/655556555.db2.gz LETUUDDBNIRLSW-AWEZNQCLSA-N 0 1 392.253 2.576 20 0 GFADMN O=S(=O)(NCc1n[nH]c(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000729268357 655563679 /nfs/dbraw/zinc/56/36/79/655563679.db2.gz ZWODUNRIYFCLEQ-UHFFFAOYSA-N 0 1 393.266 2.713 20 0 GFADMN O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 ZINC000729268357 655563680 /nfs/dbraw/zinc/56/36/80/655563680.db2.gz ZWODUNRIYFCLEQ-UHFFFAOYSA-N 0 1 393.266 2.713 20 0 GFADMN CCOc1ccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)c(C)c1 ZINC000729662365 655566409 /nfs/dbraw/zinc/56/64/09/655566409.db2.gz MAKQKAHGEPRVMA-UHFFFAOYSA-N 0 1 379.335 2.651 20 0 GFADMN CCOC(=O)CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1O ZINC000730211106 655572394 /nfs/dbraw/zinc/57/23/94/655572394.db2.gz JFMURUXOFWOWSP-UHFFFAOYSA-N 0 1 382.825 2.652 20 0 GFADMN CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)c1c(F)cccc1F ZINC000730816410 655578735 /nfs/dbraw/zinc/57/87/35/655578735.db2.gz UHJNFSZWZYDLLX-NSHDSACASA-N 0 1 376.425 2.643 20 0 GFADMN CN(Cc1cccc(C(N)=O)c1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000732061567 655591390 /nfs/dbraw/zinc/59/13/90/655591390.db2.gz HAAKAPPBKATCSQ-UHFFFAOYSA-N 0 1 387.237 2.697 20 0 GFADMN O=C(CNS(=O)(=O)c1c(F)cc(F)cc1F)OCc1ccccc1Cl ZINC000733322082 655612658 /nfs/dbraw/zinc/61/26/58/655612658.db2.gz OUGZSUVSXXNTTK-UHFFFAOYSA-N 0 1 393.770 2.779 20 0 GFADMN Cc1nc(C(=O)NC(C)(C)c2c[nH]nn2)nn1-c1c(Cl)cccc1Cl ZINC000734995262 655637696 /nfs/dbraw/zinc/63/76/96/655637696.db2.gz DBPSAHRFIMSQGS-UHFFFAOYSA-N 0 1 380.239 2.666 20 0 GFADMN CC[S@](=O)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000735100460 655639540 /nfs/dbraw/zinc/63/95/40/655639540.db2.gz RNXZADTZESIYFE-VWLOTQADSA-N 0 1 385.961 2.620 20 0 GFADMN O=C1NC2(CCCCC2)C(=O)N1CCCNCc1occc1Br ZINC000735320929 655645277 /nfs/dbraw/zinc/64/52/77/655645277.db2.gz SKQYLXBHEKNEJF-UHFFFAOYSA-N 0 1 384.274 2.777 20 0 GFADMN CCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)n[nH]1 ZINC000736662365 655665748 /nfs/dbraw/zinc/66/57/48/655665748.db2.gz OFXYCWLRSFPWRB-CQSZACIVSA-N 0 1 392.301 2.813 20 0 GFADMN CCSCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000736668423 655665983 /nfs/dbraw/zinc/66/59/83/655665983.db2.gz YXCITEVBTUWMJB-UHFFFAOYSA-N 0 1 380.271 2.697 20 0 GFADMN CNc1cc(I)ccc1C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840579021 661171956 /nfs/dbraw/zinc/17/19/56/661171956.db2.gz CPMPWHCLDITSSK-ZETCQYMHSA-N 0 1 386.193 2.677 20 0 GFADMN COC(=O)[C@](C)(NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000746240667 655759464 /nfs/dbraw/zinc/75/94/64/655759464.db2.gz SEDUSOCJVGAAGK-ZJNRKIDTSA-N 0 1 397.313 2.826 20 0 GFADMN OCCCCN1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000746488635 655762311 /nfs/dbraw/zinc/76/23/11/655762311.db2.gz WYRIYWSKAOKOTK-UHFFFAOYSA-N 0 1 394.313 2.994 20 0 GFADMN CC(=O)Nc1cc(F)c(F)cc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000747216529 655774075 /nfs/dbraw/zinc/77/40/75/655774075.db2.gz NIQLWUZFJZVILM-UHFFFAOYSA-N 0 1 376.435 2.794 20 0 GFADMN CCN(Cc1ccccc1NC(=O)CSc1n[nH]c(=S)s1)C(C)=O ZINC000747359990 655777670 /nfs/dbraw/zinc/77/76/70/655777670.db2.gz YIHKZVBFQYOUMS-UHFFFAOYSA-N 0 1 382.536 2.926 20 0 GFADMN CC(C)(NCN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Br)cc1 ZINC000747789684 655783691 /nfs/dbraw/zinc/78/36/91/655783691.db2.gz MVABZIOJQBSDDC-KRWDZBQOSA-N 0 1 380.286 2.952 20 0 GFADMN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1c(O)cccc1Cl ZINC000747935889 655785649 /nfs/dbraw/zinc/78/56/49/655785649.db2.gz 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CSc1ccccc1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548686844 564569908 /nfs/dbraw/zinc/56/99/08/564569908.db2.gz SUKIPFKEGPTXDZ-UHFFFAOYSA-N 0 1 398.531 2.650 20 0 GFADMN O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cc(Br)cc2nc[nH]c21 ZINC000548798484 564575924 /nfs/dbraw/zinc/57/59/24/564575924.db2.gz XSSALORYCWGBOJ-JTQLQIEISA-N 0 1 390.241 2.811 20 0 GFADMN CCN(CC)[C@H](CNC(=O)Nc1nnc(OC)s1)c1ccccc1Cl ZINC000549014633 564583467 /nfs/dbraw/zinc/58/34/67/564583467.db2.gz RMWSGDTWCJQLLK-CYBMUJFWSA-N 0 1 383.905 3.405 20 0 GFADMN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCN1CC=C(C)CC1 ZINC000484224693 564584409 /nfs/dbraw/zinc/58/44/09/564584409.db2.gz PDALSPZYQVUPNH-UHFFFAOYSA-N 0 1 386.279 2.709 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000572290813 564588960 /nfs/dbraw/zinc/58/89/60/564588960.db2.gz MDYCBGJMNDLBJU-LBPRGKRZSA-N 0 1 393.347 2.780 20 0 GFADMN CCO[C@@H]1COCC[C@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000484658799 564594684 /nfs/dbraw/zinc/59/46/84/564594684.db2.gz XEHNNEBTHZTNGA-RHSMWYFYSA-N 0 1 386.286 2.894 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2c(O)cnc3c(Br)cccc32)n[nH]1 ZINC000572492187 564596978 /nfs/dbraw/zinc/59/69/78/564596978.db2.gz PESITBUMGYAQMW-SSDOTTSWSA-N 0 1 376.214 2.620 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456342480 564601687 /nfs/dbraw/zinc/60/16/87/564601687.db2.gz WHHNQFFYMHOHOU-NQBHXWOUSA-N 0 1 378.270 2.949 20 0 GFADMN Cc1ccc(C[C@H](CO)CNC(=O)C(C)(C)c2cnc[nH]2)cc1Br ZINC000456484665 564610508 /nfs/dbraw/zinc/61/05/08/564610508.db2.gz HIBNRGHQMKXJDS-AWEZNQCLSA-N 0 1 394.313 2.726 20 0 GFADMN NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485392914 564613195 /nfs/dbraw/zinc/61/31/95/564613195.db2.gz JFPAUVNZOHAPSE-UHFFFAOYSA-N 0 1 395.289 2.583 20 0 GFADMN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000521036277 564618188 /nfs/dbraw/zinc/61/81/88/564618188.db2.gz VWCQURUGIMETPE-FPMFFAJLSA-N 0 1 376.258 2.622 20 0 GFADMN Cc1cc(CNC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)ccc1Cl ZINC000550379012 564622452 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ZSIGUDAYAAWCJY-CABZTGNLSA-N 0 1 393.734 2.864 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000556479516 564827868 /nfs/dbraw/zinc/82/78/68/564827868.db2.gz CIRIYVCVHGYXLZ-KBPBESRZSA-N 0 1 382.473 2.680 20 0 GFADMN O=C(NC[C@H]1CN2CCN1CCC2)c1c(Br)ccc2ccccc21 ZINC000529284294 564828113 /nfs/dbraw/zinc/82/81/13/564828113.db2.gz MHVBUXMFANVDLD-HNNXBMFYSA-N 0 1 388.309 2.722 20 0 GFADMN CC(C)[C@H]1CNCCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000529331048 564830350 /nfs/dbraw/zinc/83/03/50/564830350.db2.gz PZTKASUNRXQDAR-HUUCEWRRSA-N 0 1 382.302 2.912 20 0 GFADMN CNC(=O)c1cccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1Br ZINC000494473190 564831650 /nfs/dbraw/zinc/83/16/50/564831650.db2.gz MLNRYNCTZLUYTB-AWEZNQCLSA-N 0 1 397.317 2.613 20 0 GFADMN COC(=O)c1cc(Br)cc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000462316582 564833791 /nfs/dbraw/zinc/83/37/91/564833791.db2.gz OYCQZXCVRLXHAF-HNNXBMFYSA-N 0 1 383.286 2.648 20 0 GFADMN O=S1(=O)CCCN1CCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000582227075 564835827 /nfs/dbraw/zinc/83/58/27/564835827.db2.gz KSXUDBOUZAYWBR-MRXNPFEDSA-N 0 1 382.917 2.779 20 0 GFADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000462505987 564844580 /nfs/dbraw/zinc/84/45/80/564844580.db2.gz RRTKROWMCMFNGH-CYBMUJFWSA-N 0 1 388.917 2.525 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c(C)cc1Br ZINC000462497525 564844606 /nfs/dbraw/zinc/84/46/06/564844606.db2.gz YGXVCGQADAFVPP-ZDUSSCGKSA-N 0 1 375.332 2.781 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000529666207 564845751 /nfs/dbraw/zinc/84/57/51/564845751.db2.gz RSGQPTHYQMSCKB-UMVBOHGHSA-N 0 1 388.892 2.530 20 0 GFADMN O=C(NCc1nnc[nH]1)c1cc(I)c(Cl)cc1Cl ZINC000495114211 564849094 /nfs/dbraw/zinc/84/90/94/564849094.db2.gz SXDPMDVNGHAJQP-UHFFFAOYSA-N 0 1 397.003 2.646 20 0 GFADMN CN(Cc1nc(-c2cccc(Br)c2)no1)C1(CCO)CCOCC1 ZINC000495450082 564854606 /nfs/dbraw/zinc/85/46/06/564854606.db2.gz KFZDVWMTQBIGSU-UHFFFAOYSA-N 0 1 396.285 2.863 20 0 GFADMN CCOC[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000529898020 564856088 /nfs/dbraw/zinc/85/60/88/564856088.db2.gz LKOCSCAMZDYEIE-CQSZACIVSA-N 0 1 394.269 2.717 20 0 GFADMN CN(C)C[C@@H](NC(=O)c1cnc2n[nH]nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000530031322 564860630 /nfs/dbraw/zinc/86/06/30/564860630.db2.gz GCYMTUHDISTHIT-CQSZACIVSA-N 0 1 379.251 2.692 20 0 GFADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530032999 564860758 /nfs/dbraw/zinc/86/07/58/564860758.db2.gz YMMOQRKVEZUFGV-RHSMWYFYSA-N 0 1 386.323 2.971 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)CCc2cccc(Br)c2)C[C@@H](C)O1 ZINC000496672535 564861286 /nfs/dbraw/zinc/86/12/86/564861286.db2.gz JEKDBQUMUACCSQ-HUUCEWRRSA-N 0 1 383.330 2.997 20 0 GFADMN Cc1nccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1Cl ZINC000497201690 564863829 /nfs/dbraw/zinc/86/38/29/564863829.db2.gz WIADJVBZBGCKHM-UHFFFAOYSA-N 0 1 379.913 2.872 20 0 GFADMN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000530167102 564869810 /nfs/dbraw/zinc/86/98/10/564869810.db2.gz TXHAGOXZJDBCGJ-ZFWWWQNUSA-N 0 1 384.201 2.899 20 0 GFADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000530167102 564869814 /nfs/dbraw/zinc/86/98/14/564869814.db2.gz TXHAGOXZJDBCGJ-ZFWWWQNUSA-N 0 1 384.201 2.899 20 0 GFADMN CC[N@H+]1CCN(c2ncnc3ccc(I)cc32)[C@H](C)C1 ZINC000582956266 564870252 /nfs/dbraw/zinc/87/02/52/564870252.db2.gz UBJAFOHQMHBZQA-LLVKDONJSA-N 0 1 382.249 2.765 20 0 GFADMN CCC[C@H](C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O)N(C)C ZINC000463173030 564871647 /nfs/dbraw/zinc/87/16/47/564871647.db2.gz VKXCUCFTWYDYBD-JKSUJKDBSA-N 0 1 396.329 2.709 20 0 GFADMN COc1nc(N2CCN(C)[C@H](Cc3ccccc3)C2)ncc1Br ZINC000557743147 564874403 /nfs/dbraw/zinc/87/44/03/564874403.db2.gz URIHGHYBXBOEAZ-CQSZACIVSA-N 0 1 377.286 2.611 20 0 GFADMN O=S(=O)(Cc1cccc(Br)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000583075479 564874760 /nfs/dbraw/zinc/87/47/60/564874760.db2.gz MJHLZOWVSLNUSB-HNNXBMFYSA-N 0 1 387.343 2.885 20 0 GFADMN C[C@H](NCC(=O)N1CCCCC1)c1ccc(Br)cc1OCCCO ZINC000463360429 564877096 /nfs/dbraw/zinc/87/70/96/564877096.db2.gz ILNZTZRELCOZGO-AWEZNQCLSA-N 0 1 399.329 2.873 20 0 GFADMN C[C@@H]1CC[N@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000530351798 564877940 /nfs/dbraw/zinc/87/79/40/564877940.db2.gz GPUSGGREQFCCKW-SECBINFHSA-N 0 1 399.713 2.862 20 0 GFADMN C[C@@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000530351798 564877942 /nfs/dbraw/zinc/87/79/42/564877942.db2.gz GPUSGGREQFCCKW-SECBINFHSA-N 0 1 399.713 2.862 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)CN(C)CCc1cccc(Br)c1)C(=O)OC ZINC000463415736 564880028 /nfs/dbraw/zinc/88/00/28/564880028.db2.gz RIJKUVMTSUCDII-SUMWQHHRSA-N 0 1 399.329 2.627 20 0 GFADMN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000497983376 564883230 /nfs/dbraw/zinc/88/32/30/564883230.db2.gz CBAWIVWMYZLBCN-BLLLJJGKSA-N 0 1 379.913 2.939 20 0 GFADMN CN(C)c1cccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000557884997 564883670 /nfs/dbraw/zinc/88/36/70/564883670.db2.gz LEAOIPVEVMRIPY-UHFFFAOYSA-N 0 1 375.372 2.890 20 0 GFADMN O=C(Cc1ccccc1Br)N1CCC(CCN2CCOCC2)CC1 ZINC000583373091 564888126 /nfs/dbraw/zinc/88/81/26/564888126.db2.gz YHWDCSVGZIRHTO-UHFFFAOYSA-N 0 1 395.341 2.953 20 0 GFADMN Cc1[nH]ncc1CNC(=O)c1c(Cl)cccc1I ZINC000463770869 564889683 /nfs/dbraw/zinc/88/96/83/564889683.db2.gz ODIQVDSPTLRXCV-UHFFFAOYSA-N 0 1 375.597 2.906 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1O ZINC000558405284 564899985 /nfs/dbraw/zinc/89/99/85/564899985.db2.gz SDUVGPOUJJQNAK-UHFFFAOYSA-N 0 1 381.262 2.921 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2ccc(F)c(I)c2)C[C@H]1C ZINC000498573062 564902423 /nfs/dbraw/zinc/90/24/23/564902423.db2.gz RZEMSYGRDLZZPP-MNOVXSKESA-N 0 1 390.240 2.985 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCC(Oc2cnccn2)CC1 ZINC000583686530 564903349 /nfs/dbraw/zinc/90/33/49/564903349.db2.gz JBFPTHCJKHMGBJ-UHFFFAOYSA-N 0 1 378.226 2.628 20 0 GFADMN CO[C@@H]1C[C@H](CC(=O)[O-])[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000583698598 564903694 /nfs/dbraw/zinc/90/36/94/564903694.db2.gz ISRQNYPNTSBTED-CHWSQXEVSA-N 0 1 396.241 2.563 20 0 GFADMN COc1ccc([C@@H](C)NCCNS(=O)(=O)c2cc(C)sc2C)cc1O ZINC000558493920 564904106 /nfs/dbraw/zinc/90/41/06/564904106.db2.gz ZORULUFBONMQPO-GFCCVEGCSA-N 0 1 384.523 2.708 20 0 GFADMN COCC[C@H](C)S(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000464403509 564905608 /nfs/dbraw/zinc/90/56/08/564905608.db2.gz NLTQPSIQRRTORT-HNNXBMFYSA-N 0 1 388.961 2.896 20 0 GFADMN C[C@H]1CCN(C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000498711517 564906251 /nfs/dbraw/zinc/90/62/51/564906251.db2.gz UUDFRRIAQPRDSZ-ZDUSSCGKSA-N 0 1 377.286 2.801 20 0 GFADMN COc1ncnc(N(C)C)c1NS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000464411444 564906745 /nfs/dbraw/zinc/90/67/45/564906745.db2.gz POXKZRBJNAPQDV-UHFFFAOYSA-N 0 1 388.902 2.727 20 0 GFADMN O=C1N=NC([C@@H]2CCCN(c3ncnc4ccc(Br)cc43)C2)O1 ZINC000558609960 564908938 /nfs/dbraw/zinc/90/89/38/564908938.db2.gz YDHHCDVYWYTQOL-SECBINFHSA-N 0 1 376.214 2.865 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000583875323 564910898 /nfs/dbraw/zinc/91/08/98/564910898.db2.gz DRNCNNZUYINTNY-NEPJUHHUSA-N 0 1 388.917 2.745 20 0 GFADMN CC(C)[C@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)N1CCCC1=O ZINC000464556219 564910953 /nfs/dbraw/zinc/91/09/53/564910953.db2.gz QMCOPAZVVHARHH-CQSZACIVSA-N 0 1 379.258 2.911 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)OCC(=O)N2 ZINC000464576208 564911914 /nfs/dbraw/zinc/91/19/14/564911914.db2.gz KAXOMQVRLZTDQJ-UHFFFAOYSA-N 0 1 387.193 2.909 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000499109856 564918531 /nfs/dbraw/zinc/91/85/31/564918531.db2.gz IXLAJJHUPAWNAW-CHWSQXEVSA-N 0 1 397.313 2.704 20 0 GFADMN CN(C)c1nc2ccc(NS(=O)(=O)c3cncc(Br)c3)cc2o1 ZINC000464908498 564920484 /nfs/dbraw/zinc/92/04/84/564920484.db2.gz UWYJJVDVAPPEDC-UHFFFAOYSA-N 0 1 397.254 2.852 20 0 GFADMN Cc1cccc(NCCCNS(=O)(=O)c2ccccc2Br)n1 ZINC000584104177 564920911 /nfs/dbraw/zinc/92/09/11/564920911.db2.gz ACIHUWRLLGXEEG-UHFFFAOYSA-N 0 1 384.299 2.933 20 0 GFADMN O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc(Br)c1[O-] ZINC000531928968 564925131 /nfs/dbraw/zinc/92/51/31/564925131.db2.gz MXLJJNSFMAUWJW-GJZGRUSLSA-N 0 1 383.286 2.528 20 0 GFADMN CCOC(=O)COCCSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000532032737 564927018 /nfs/dbraw/zinc/92/70/18/564927018.db2.gz QCEWYTQDVVWOGH-UHFFFAOYSA-N 0 1 386.271 2.906 20 0 GFADMN CCOc1cccc(CNC[C@H](O)COc2ccccc2Br)n1 ZINC000532209908 564932335 /nfs/dbraw/zinc/93/23/35/564932335.db2.gz KAOGJOBZDHNZCS-AWEZNQCLSA-N 0 1 381.270 2.772 20 0 GFADMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000559420377 564933063 /nfs/dbraw/zinc/93/30/63/564933063.db2.gz PWDZDVPRRRZSMT-AWEZNQCLSA-N 0 1 381.519 2.735 20 0 GFADMN COCCn1cc(CNCc2ccc(I)c(C)c2)cn1 ZINC000466364658 564939094 /nfs/dbraw/zinc/93/90/94/564939094.db2.gz NRQNXVPYRDZZKK-UHFFFAOYSA-N 0 1 385.249 2.732 20 0 GFADMN CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](CO)c1ccccc1 ZINC000532558331 564941014 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O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cscc1Br ZINC000560614999 564970217 /nfs/dbraw/zinc/97/02/17/564970217.db2.gz KLWPRLPAGYTQDB-KGLIPLIRSA-N 0 1 395.322 2.876 20 0 GFADMN C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(C)(C)C[NH+](C)C ZINC000467768679 564971923 /nfs/dbraw/zinc/97/19/23/564971923.db2.gz GKBXCTUWLSUMAI-VIFPVBQESA-N 0 1 399.301 2.982 20 0 GFADMN CCCCN(C(=O)c1cccc(Br)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000533859459 564974379 /nfs/dbraw/zinc/97/43/79/564974379.db2.gz QEOLGYFPRIEWGG-LLVKDONJSA-N 0 1 390.299 2.584 20 0 GFADMN C[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cn[nH]c1 ZINC000533865514 564974737 /nfs/dbraw/zinc/97/47/37/564974737.db2.gz PGRFOSUKVAELON-SECBINFHSA-N 0 1 390.245 2.518 20 0 GFADMN C[C@@H](NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cn[nH]c1 ZINC000533865514 564974741 /nfs/dbraw/zinc/97/47/41/564974741.db2.gz PGRFOSUKVAELON-SECBINFHSA-N 0 1 390.245 2.518 20 0 GFADMN CCCN(C)CC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000468148078 564978181 /nfs/dbraw/zinc/97/81/81/564978181.db2.gz GMNFDMMCJPIHKN-MRXNPFEDSA-N 0 1 396.329 2.711 20 0 GFADMN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(Nc2ccncc2)cc1 ZINC000534113541 564979889 /nfs/dbraw/zinc/97/98/89/564979889.db2.gz VNDXFCXJMXCJEV-UHFFFAOYSA-N 0 1 385.221 2.950 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCOC2)cc1 ZINC000501536928 564982176 /nfs/dbraw/zinc/98/21/76/564982176.db2.gz AGBFRECWHHUXIX-ZDUSSCGKSA-N 0 1 380.491 2.624 20 0 GFADMN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cccc(Br)c1O ZINC000561048384 564982408 /nfs/dbraw/zinc/98/24/08/564982408.db2.gz OEHDLZRSLSOGJR-NSHDSACASA-N 0 1 390.299 2.584 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)CCOc2ccc(OC)cc2)c1Br ZINC000468510163 564985053 /nfs/dbraw/zinc/98/50/53/564985053.db2.gz DSZXVTLPRZIMRU-UHFFFAOYSA-N 0 1 382.258 2.894 20 0 GFADMN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1 ZINC000501833243 564986468 /nfs/dbraw/zinc/98/64/68/564986468.db2.gz WYCGKQYSJZQUCL-UHFFFAOYSA-N 0 1 386.470 2.735 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCCCc1ccc(Br)cc1F ZINC000502061642 564991086 /nfs/dbraw/zinc/99/10/86/564991086.db2.gz VFGKHYPDVGXJJC-CYBMUJFWSA-N 0 1 387.293 2.605 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@H]2CCCc3sccc32)c1 ZINC000468722478 564991552 /nfs/dbraw/zinc/99/15/52/564991552.db2.gz FBSXJXVPFFDUDS-AWEZNQCLSA-N 0 1 380.491 2.511 20 0 GFADMN CC[C@H](CO)N1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000534713870 564995128 /nfs/dbraw/zinc/99/51/28/564995128.db2.gz JNUCSBKDKAPRCN-CQSZACIVSA-N 0 1 375.296 2.677 20 0 GFADMN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N[C@@H](CC)C(F)(F)F)c1 ZINC000468897091 564998465 /nfs/dbraw/zinc/99/84/65/564998465.db2.gz INXVHKCVLMHXCF-NSHDSACASA-N 0 1 387.351 2.630 20 0 GFADMN NC(=O)c1ccc(OCC(=O)Nc2cc(Br)cc(Cl)c2O)cc1 ZINC000534940584 564999561 /nfs/dbraw/zinc/99/95/61/564999561.db2.gz MUQGTFNESNJIGC-UHFFFAOYSA-N 0 1 399.628 2.925 20 0 GFADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000469120420 565006107 /nfs/dbraw/zinc/00/61/07/565006107.db2.gz YURITTZAZYEKCW-JTQLQIEISA-N 0 1 390.374 2.541 20 0 GFADMN Cc1cccc(NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1Br ZINC000469188315 565008495 /nfs/dbraw/zinc/00/84/95/565008495.db2.gz LPLJPLAXVMOGKA-OAHLLOKOSA-N 0 1 398.345 2.642 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2Br)o1 ZINC000502874034 565008611 /nfs/dbraw/zinc/00/86/11/565008611.db2.gz CSNDTECKXFQNKG-UHFFFAOYSA-N 0 1 390.211 2.638 20 0 GFADMN Cc1c(Br)ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1F ZINC000469223282 565010129 /nfs/dbraw/zinc/01/01/29/565010129.db2.gz DIJYEFSSNNUWBF-LLVKDONJSA-N 0 1 387.293 2.814 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1N(C)C ZINC000535620396 565017008 /nfs/dbraw/zinc/01/70/08/565017008.db2.gz IECISBKEBFYYFO-KGLIPLIRSA-N 0 1 383.366 2.801 20 0 GFADMN O=C(NCCCc1nnc2ccccn21)c1cc(Br)cc2nc[nH]c21 ZINC000503452085 565020129 /nfs/dbraw/zinc/02/01/29/565020129.db2.gz BRBLCCCCSPKYEW-UHFFFAOYSA-N 0 1 399.252 2.731 20 0 GFADMN O=C(N[C@H](CO)c1cccc(F)c1)c1cc(Br)cc2nc[nH]c21 ZINC000503519713 565021708 /nfs/dbraw/zinc/02/17/08/565021708.db2.gz URFODSPCNHGIJN-CQSZACIVSA-N 0 1 378.201 2.928 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(c2ccc(I)cc2)CC1 ZINC000503512829 565022077 /nfs/dbraw/zinc/02/20/77/565022077.db2.gz JSCKHECPVKKFKM-QWHCGFSZSA-N 0 1 398.288 2.874 20 0 GFADMN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000562240715 565022291 /nfs/dbraw/zinc/02/22/91/565022291.db2.gz UHEGAIKKXYUWKT-UMVBOHGHSA-N 0 1 375.270 2.885 20 0 GFADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000469634199 565023070 /nfs/dbraw/zinc/02/30/70/565023070.db2.gz RTZSNUWHCRVQTD-HUUCEWRRSA-N 0 1 384.567 2.552 20 0 GFADMN CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1O ZINC000503761664 565028216 /nfs/dbraw/zinc/02/82/16/565028216.db2.gz CDUQGHLOCXNUNF-UHFFFAOYSA-N 0 1 382.869 2.633 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 ZINC000470058313 565036505 /nfs/dbraw/zinc/03/65/05/565036505.db2.gz AECAKNYDBTVVTC-OLZOCXBDSA-N 0 1 375.296 2.676 20 0 GFADMN C[C@H](O)CN1CCN(c2cc(C(F)(F)F)c(Br)cn2)[C@@H](C)C1 ZINC000563038568 565052594 /nfs/dbraw/zinc/05/25/94/565052594.db2.gz MMJDUOCWVIFPON-UWVGGRQHSA-N 0 1 382.224 2.754 20 0 GFADMN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000470729941 565053976 /nfs/dbraw/zinc/05/39/76/565053976.db2.gz MWHNCOHAHKJAQF-AWEZNQCLSA-N 0 1 376.444 2.980 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1C ZINC000563154809 565057590 /nfs/dbraw/zinc/05/75/90/565057590.db2.gz MMDBWVVKSQHRJS-STQMWFEESA-N 0 1 392.301 2.585 20 0 GFADMN CCOc1ccc2nc(SCC3(CS(C)(=O)=O)CCOCC3)[nH]c2c1 ZINC000537425578 565058236 /nfs/dbraw/zinc/05/82/36/565058236.db2.gz QSXPNNMUKKXAFZ-UHFFFAOYSA-N 0 1 384.523 2.895 20 0 GFADMN Cc1n[nH]c(CCNC(=O)c2c(C)onc2-c2cccc(Br)c2)n1 ZINC000537641902 565060853 /nfs/dbraw/zinc/06/08/53/565060853.db2.gz GBJLRDLRBRYEKW-UHFFFAOYSA-N 0 1 390.241 2.812 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CCN1CC(C)(C)O ZINC000635834607 565076978 /nfs/dbraw/zinc/07/69/78/565076978.db2.gz OENLZBJBMPSVCE-SECBINFHSA-N 0 1 378.275 2.632 20 0 GFADMN O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CCN2CCC1CC2 ZINC000613861073 565084125 /nfs/dbraw/zinc/08/41/25/565084125.db2.gz JTCIETYPUKWELG-UHFFFAOYSA-N 0 1 381.167 2.926 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC(OCC2CC2)CC1 ZINC000584761466 565095854 /nfs/dbraw/zinc/09/58/54/565095854.db2.gz JCZQJSBYTJLGEI-UHFFFAOYSA-N 0 1 379.400 2.991 20 0 GFADMN O=C(NCCCNCc1c(F)cncc1Br)c1cccc(O)c1 ZINC000657341203 565097855 /nfs/dbraw/zinc/09/78/55/565097855.db2.gz PBJYAYUZRIOCLL-UHFFFAOYSA-N 0 1 382.233 2.599 20 0 GFADMN NC(=O)[C@H](CNCc1c(F)cncc1Br)Cc1ccc(F)cc1 ZINC000657422730 565100437 /nfs/dbraw/zinc/10/04/37/565100437.db2.gz RMUAZGAWIZIUNF-NSHDSACASA-N 0 1 384.224 2.556 20 0 GFADMN CS(=O)(=O)CC1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657477247 565103303 /nfs/dbraw/zinc/10/33/03/565103303.db2.gz JRPNDNUQULRYMT-UHFFFAOYSA-N 0 1 379.295 2.676 20 0 GFADMN Cc1n[nH]cc1[C@@H](C)NCC(=O)Nc1ccc(I)cc1 ZINC000585765392 565110250 /nfs/dbraw/zinc/11/02/50/565110250.db2.gz ATRIMVHCOLTGJH-SECBINFHSA-N 0 1 384.221 2.612 20 0 GFADMN COc1ccc(Sc2nsc(NC(=O)N[C@@H]3CCCN(C)C3)n2)cc1 ZINC000685553199 565111839 /nfs/dbraw/zinc/11/18/39/565111839.db2.gz ANGFKQRUSSSUTG-LLVKDONJSA-N 0 1 379.511 2.914 20 0 GFADMN Oc1ccc(Br)c(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000657747805 565126014 /nfs/dbraw/zinc/12/60/14/565126014.db2.gz RNJWVCSAZAIDEV-IAGOWNOFSA-N 0 1 381.314 2.888 20 0 GFADMN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000685902270 565130158 /nfs/dbraw/zinc/13/01/58/565130158.db2.gz KXKFGWXERAGNOA-UHFFFAOYSA-N 0 1 394.396 2.613 20 0 GFADMN CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000637101094 565139225 /nfs/dbraw/zinc/13/92/25/565139225.db2.gz AIYDQZBFCDBJHF-IUODEOHRSA-N 0 1 387.311 2.564 20 0 GFADMN COC[C@@](C)(O)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181632 565143654 /nfs/dbraw/zinc/14/36/54/565143654.db2.gz IFXVFWYWLJNNJH-RDJZCZTQSA-N 0 1 392.327 2.683 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000658121448 565150488 /nfs/dbraw/zinc/15/04/88/565150488.db2.gz ABVQNOFJMBAEKA-CYBMUJFWSA-N 0 1 382.302 2.685 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)cc1Br ZINC000658127064 565152288 /nfs/dbraw/zinc/15/22/88/565152288.db2.gz UKVBIRODLIYIBG-CYBMUJFWSA-N 0 1 396.329 2.993 20 0 GFADMN COC(=O)[C@@H](NC(=O)CN[C@H](C)c1ccc(F)c(Br)c1)C(C)C ZINC000589258949 565158452 /nfs/dbraw/zinc/15/84/52/565158452.db2.gz HEZSZXQDUKVWCH-BMIGLBTASA-N 0 1 389.265 2.553 20 0 GFADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cscc1Br ZINC000615735311 565171543 /nfs/dbraw/zinc/17/15/43/565171543.db2.gz AQLRUCAIYZNQKA-LBPRGKRZSA-N 0 1 399.314 2.946 20 0 GFADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000615819893 565177152 /nfs/dbraw/zinc/17/71/52/565177152.db2.gz VXBOJGDEEUEUSQ-NEPJUHHUSA-N 0 1 383.901 2.951 20 0 GFADMN O=C(N[C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCCc2n[nH]nc21 ZINC000615870487 565178686 /nfs/dbraw/zinc/17/86/86/565178686.db2.gz FKNLQKMCPRJIHQ-PWSUYJOCSA-N 0 1 379.233 2.930 20 0 GFADMN O=C(NCCOc1cccc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000615906234 565179524 /nfs/dbraw/zinc/17/95/24/565179524.db2.gz MVNBROBCELFIOM-UHFFFAOYSA-N 0 1 382.302 2.565 20 0 GFADMN CCOCCO[C@@H](C)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000615926525 565181480 /nfs/dbraw/zinc/18/14/80/565181480.db2.gz ISEYFSQCHBJNOE-JTQLQIEISA-N 0 1 383.246 2.614 20 0 GFADMN Cc1cc(CN)oc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000638110534 565184901 /nfs/dbraw/zinc/18/49/01/565184901.db2.gz MSAMOFGAGNTWHG-GFCCVEGCSA-N 0 1 378.270 2.818 20 0 GFADMN Cc1cc(CN)oc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000638110535 565184911 /nfs/dbraw/zinc/18/49/11/565184911.db2.gz MSAMOFGAGNTWHG-LBPRGKRZSA-N 0 1 378.270 2.818 20 0 GFADMN Cc1csc(C(=O)Nc2n[nH]c3cc(O)ccc32)c1I ZINC000590558116 565191944 /nfs/dbraw/zinc/19/19/44/565191944.db2.gz NZAFZSWVVJNQEO-UHFFFAOYSA-N 0 1 399.213 3.495 20 0 GFADMN NCc1ncc(C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)cn1 ZINC000638358619 565194274 /nfs/dbraw/zinc/19/42/74/565194274.db2.gz GXCPDFRNSVXGTE-INIZCTEOSA-N 0 1 389.297 2.935 20 0 GFADMN C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000638382643 565194337 /nfs/dbraw/zinc/19/43/37/565194337.db2.gz YGXCADOCTBDSCA-BLLLJJGKSA-N 0 1 381.270 2.933 20 0 GFADMN C[C@H](COc1ccccc1C(F)(F)F)NCc1ccc(S(N)(=O)=O)o1 ZINC000638411508 565195255 /nfs/dbraw/zinc/19/52/55/565195255.db2.gz OHNFWGCMPNGXNH-SNVBAGLBSA-N 0 1 378.372 2.503 20 0 GFADMN COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000590751196 565200828 /nfs/dbraw/zinc/20/08/28/565200828.db2.gz YASDNZGAGHSEEU-NSHDSACASA-N 0 1 381.372 2.517 20 0 GFADMN O=C(Cc1c(Cl)cccc1Br)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000616695672 565206283 /nfs/dbraw/zinc/20/62/83/565206283.db2.gz HVYRNGASJYEYKT-LBPRGKRZSA-N 0 1 399.676 2.931 20 0 GFADMN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H](N)COC(C)C ZINC000659253571 565209204 /nfs/dbraw/zinc/20/92/04/565209204.db2.gz QFAQRUZRNIYJKL-GJZGRUSLSA-N 0 1 385.302 2.874 20 0 GFADMN CC(C)(N)c1nocc1C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000638944132 565218997 /nfs/dbraw/zinc/21/89/97/565218997.db2.gz ZQPGTZBEWPGTEJ-IACUBPJLSA-N 0 1 376.254 2.699 20 0 GFADMN CCn1c(CNC[C@@H](OC)[C@H]2CCOC2)nc2cc(Br)ccc21 ZINC000639103496 565224514 /nfs/dbraw/zinc/22/45/14/565224514.db2.gz PJXGWRHDSYNQMO-BLLLJJGKSA-N 0 1 382.302 2.960 20 0 GFADMN COC(=O)c1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1Br ZINC000617292897 565231798 /nfs/dbraw/zinc/23/17/98/565231798.db2.gz CCTMHHLQPKFCKD-LBPRGKRZSA-N 0 1 396.285 2.842 20 0 GFADMN Cc1nc(C2(NS(=O)(=O)c3cc(F)c(F)cc3F)CCCCC2)no1 ZINC000591813929 565241670 /nfs/dbraw/zinc/24/16/70/565241670.db2.gz PCNQIJQEBQGAOW-UHFFFAOYSA-N 0 1 375.372 2.933 20 0 GFADMN CCCN(Cc1ccccc1Br)C[C@H](O)CC1(O)CCOCC1 ZINC000639462937 565246534 /nfs/dbraw/zinc/24/65/34/565246534.db2.gz GQVJTSJAZMEGMS-MRXNPFEDSA-N 0 1 386.330 2.954 20 0 GFADMN Brc1ccc(CN(CCc2cnccn2)CCn2ccnc2)o1 ZINC000639638676 565254307 /nfs/dbraw/zinc/25/43/07/565254307.db2.gz PPISBIPBRUWAPM-UHFFFAOYSA-N 0 1 376.258 2.774 20 0 GFADMN Cn1ccnc1[C@@H](NCc1nc2ccc(Br)cc2[nH]1)C(C)(C)CO 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CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(CN)o1 ZINC000592538703 565281319 /nfs/dbraw/zinc/28/13/19/565281319.db2.gz BVNMXJSKANHGLZ-AWEZNQCLSA-N 0 1 385.247 2.949 20 0 GFADMN COC(=O)[C@@H]1CNCCCN1C(=O)CCCOc1cccc(Cl)c1Cl ZINC000592553109 565282382 /nfs/dbraw/zinc/28/23/82/565282382.db2.gz HSADVBDTSHAGML-ZDUSSCGKSA-N 0 1 389.279 2.516 20 0 GFADMN CN(C)C(=O)c1cccc(CNC(=O)c2cccc(Br)c2O)c1 ZINC000592831439 565299607 /nfs/dbraw/zinc/29/96/07/565299607.db2.gz HCBUECQAKQQGNW-UHFFFAOYSA-N 0 1 377.238 2.787 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C[C@@H]1C ZINC000640384462 565305219 /nfs/dbraw/zinc/30/52/19/565305219.db2.gz DDSLPURWUSJDNL-YUMQZZPRSA-N 0 1 387.378 3.139 20 0 GFADMN CCOC(=O)Cc1csc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)n1 ZINC000593019093 565307327 /nfs/dbraw/zinc/30/73/27/565307327.db2.gz PHPZVONTUCTCJC-QWRGUYRKSA-N 0 1 380.388 2.935 20 0 GFADMN O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376626 565321338 /nfs/dbraw/zinc/32/13/38/565321338.db2.gz 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HPAMEFOACGFYRR-CQSZACIVSA-N 0 1 398.902 2.538 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000820954065 598218778 /nfs/dbraw/zinc/21/87/78/598218778.db2.gz LSBTUTXCTCMJNH-UHFFFAOYSA-N 0 1 378.226 2.926 20 0 GFADMN COc1ccc(OC)c(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737110409 598249073 /nfs/dbraw/zinc/24/90/73/598249073.db2.gz XMKFMKXJJYILMB-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN CCN(CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccc1Cl ZINC000736532804 598438089 /nfs/dbraw/zinc/43/80/89/598438089.db2.gz CXDJLOXOOGLPBV-QGZVFWFLSA-N 0 1 399.886 2.728 20 0 GFADMN CCOc1cc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)ccc1C ZINC000736627447 598472825 /nfs/dbraw/zinc/47/28/25/598472825.db2.gz ZVKKYIHGTZGGQV-UHFFFAOYSA-N 0 1 386.437 2.649 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000735550872 598703237 /nfs/dbraw/zinc/70/32/37/598703237.db2.gz MKSOWPPEVDYKFW-NWDGAFQWSA-N 0 1 386.843 2.930 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736403928 598715303 /nfs/dbraw/zinc/71/53/03/598715303.db2.gz ZIILXMOSFZCUOS-OAHLLOKOSA-N 0 1 385.516 2.567 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCCCC1CCCCC1 ZINC000737980361 598720047 /nfs/dbraw/zinc/72/00/47/598720047.db2.gz DLWHGQJFZADMLX-UHFFFAOYSA-N 0 1 394.479 2.658 20 0 GFADMN c1ccc2c(c1)OC[C@@H](CN1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000738443542 598781362 /nfs/dbraw/zinc/78/13/62/598781362.db2.gz XLROWEBBPFXVRM-GOSISDBHSA-N 0 1 393.447 2.550 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000736199256 599311581 /nfs/dbraw/zinc/31/15/81/599311581.db2.gz WVEYVQUASOMCIN-AWEZNQCLSA-N 0 1 382.493 2.837 20 0 GFADMN CC[C@H](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870515 599455843 /nfs/dbraw/zinc/45/58/43/599455843.db2.gz UGYFMPGTAITWIN-DLBZAZTESA-N 0 1 399.543 2.909 20 0 GFADMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737876510 599478250 /nfs/dbraw/zinc/47/82/50/599478250.db2.gz REZKZHCXMNWOGO-HNNXBMFYSA-N 0 1 380.427 2.509 20 0 GFADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737875299 599478442 /nfs/dbraw/zinc/47/84/42/599478442.db2.gz HWCTZDARXZSQSW-OAHLLOKOSA-N 0 1 380.427 2.509 20 0 GFADMN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735664639 599487979 /nfs/dbraw/zinc/48/79/79/599487979.db2.gz MNKUMUJJNHLASF-MRXNPFEDSA-N 0 1 391.483 2.633 20 0 GFADMN C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000820768769 599530582 /nfs/dbraw/zinc/53/05/82/599530582.db2.gz PNLRDDDXJMEUMF-IFXJQAMLSA-N 0 1 398.898 2.764 20 0 GFADMN CC[C@@H](c1ccc(F)cc1)N1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736390812 599581079 /nfs/dbraw/zinc/58/10/79/599581079.db2.gz KIPKEPWCXLAOKX-KRWDZBQOSA-N 0 1 396.474 2.686 20 0 GFADMN C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736301235 599591431 /nfs/dbraw/zinc/59/14/31/599591431.db2.gz MZISVJPQINWDQD-CYBMUJFWSA-N 0 1 380.427 2.954 20 0 GFADMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738265889 599593216 /nfs/dbraw/zinc/59/32/16/599593216.db2.gz FGUHMEUSFGWNPE-QGZVFWFLSA-N 0 1 395.438 2.980 20 0 GFADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821457404 599646489 /nfs/dbraw/zinc/64/64/89/599646489.db2.gz WHHBTBJMXKAKQY-LLVKDONJSA-N 0 1 382.921 2.922 20 0 GFADMN C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357763 599665132 /nfs/dbraw/zinc/66/51/32/599665132.db2.gz JRWBVYDTGVLUNJ-ACJLOTCBSA-N 0 1 397.458 2.669 20 0 GFADMN CCOC(=O)c1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)nc1 ZINC000737155095 599714568 /nfs/dbraw/zinc/71/45/68/599714568.db2.gz ILRYUANHKWXWMU-AWEZNQCLSA-N 0 1 387.436 2.823 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCNC(=O)[O-])c1 ZINC000736785897 599721030 /nfs/dbraw/zinc/72/10/30/599721030.db2.gz XFKHSMNZZBZMDO-CYBMUJFWSA-N 0 1 394.447 2.625 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCNC(=O)[O-])c1 ZINC000736785897 599721031 /nfs/dbraw/zinc/72/10/31/599721031.db2.gz XFKHSMNZZBZMDO-CYBMUJFWSA-N 0 1 394.447 2.625 20 0 GFADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2C1 ZINC000737029534 599721634 /nfs/dbraw/zinc/72/16/34/599721634.db2.gz AFZKLZFMXNPQNG-LJQANCHMSA-N 0 1 395.459 2.683 20 0 GFADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2C1 ZINC000737029534 599721635 /nfs/dbraw/zinc/72/16/35/599721635.db2.gz AFZKLZFMXNPQNG-LJQANCHMSA-N 0 1 395.459 2.683 20 0 GFADMN O=C([O-])NCCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000739964887 599748853 /nfs/dbraw/zinc/74/88/53/599748853.db2.gz QUUUIXJQPNQWRB-UHFFFAOYSA-N 0 1 387.402 2.834 20 0 GFADMN CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000737068506 599886269 /nfs/dbraw/zinc/88/62/69/599886269.db2.gz RRNASLZSUNTMKS-UHFFFAOYSA-N 0 1 397.475 2.572 20 0 GFADMN CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000737068506 599886270 /nfs/dbraw/zinc/88/62/70/599886270.db2.gz RRNASLZSUNTMKS-UHFFFAOYSA-N 0 1 397.475 2.572 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740164951 599903474 /nfs/dbraw/zinc/90/34/74/599903474.db2.gz JBGHOVNBAFGKIX-LJQANCHMSA-N 0 1 382.460 2.792 20 0 GFADMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)C1 ZINC000739154346 599912492 /nfs/dbraw/zinc/91/24/92/599912492.db2.gz QYVLUIDLNWIVSZ-INIZCTEOSA-N 0 1 396.447 2.726 20 0 GFADMN Cc1ccc(N2CCC(C(=O)NC[C@H](Cc3cccc(F)c3)C(=O)[O-])CC2)[nH+]c1 ZINC000738615237 599941394 /nfs/dbraw/zinc/94/13/94/599941394.db2.gz MQEQTTNCRVMDJE-SFHVURJKSA-N 0 1 399.466 2.805 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000736577709 599950027 /nfs/dbraw/zinc/95/00/27/599950027.db2.gz FUPITRXYXQVHPH-ZDUSSCGKSA-N 0 1 390.871 2.708 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CC1)C(=O)[O-] ZINC000736580097 599950421 /nfs/dbraw/zinc/95/04/21/599950421.db2.gz XUJPHWXPBFVHAA-NSHDSACASA-N 0 1 382.844 2.625 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000737285241 599967176 /nfs/dbraw/zinc/96/71/76/599967176.db2.gz PLMSFPDSRYRQKI-KRWDZBQOSA-N 0 1 394.878 2.719 20 0 GFADMN C[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(F)cc1 ZINC000737392685 600044580 /nfs/dbraw/zinc/04/45/80/600044580.db2.gz CCRJBPJJYGNHKW-IBGZPJMESA-N 0 1 383.423 2.551 20 0 GFADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccc(F)cc1 ZINC000737392685 600044582 /nfs/dbraw/zinc/04/45/82/600044582.db2.gz CCRJBPJJYGNHKW-IBGZPJMESA-N 0 1 383.423 2.551 20 0 GFADMN Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410981 600047902 /nfs/dbraw/zinc/04/79/02/600047902.db2.gz LYCIFTXFGKRFDA-MAUKXSAKSA-N 0 1 395.459 2.583 20 0 GFADMN CCN(CC)Cc1ccc(C(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000825418091 607417445 /nfs/dbraw/zinc/41/74/45/607417445.db2.gz WZOUBJNOXCLRIP-UHFFFAOYSA-N 0 1 380.452 2.721 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737667479 600091692 /nfs/dbraw/zinc/09/16/92/600091692.db2.gz QWKPJKZYQVHBRT-ZDUSSCGKSA-N 0 1 382.416 2.729 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737667479 600091693 /nfs/dbraw/zinc/09/16/93/600091693.db2.gz QWKPJKZYQVHBRT-ZDUSSCGKSA-N 0 1 382.416 2.729 20 0 GFADMN CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302617 600097550 /nfs/dbraw/zinc/09/75/50/600097550.db2.gz GVAMWJJUHHXZCA-GOEBONIOSA-N 0 1 385.468 2.511 20 0 GFADMN CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302617 600097551 /nfs/dbraw/zinc/09/75/51/600097551.db2.gz GVAMWJJUHHXZCA-GOEBONIOSA-N 0 1 385.468 2.511 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000164624491 600128878 /nfs/dbraw/zinc/12/88/78/600128878.db2.gz FBRWICKLIMLJCO-CQSZACIVSA-N 0 1 384.398 2.993 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)(C(=O)[O-])c1ccccc1 ZINC000736918279 600128863 /nfs/dbraw/zinc/12/88/63/600128863.db2.gz SKKZETVGULCQTH-QFIPXVFZSA-N 0 1 395.459 2.732 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000263574048 600130670 /nfs/dbraw/zinc/13/06/70/600130670.db2.gz NFWZYTFZQIYUNI-TZMCWYRMSA-N 0 1 389.477 2.942 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000263574048 600130674 /nfs/dbraw/zinc/13/06/74/600130674.db2.gz NFWZYTFZQIYUNI-TZMCWYRMSA-N 0 1 389.477 2.942 20 0 GFADMN CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)n(-c2ccccc2)n1 ZINC000164534233 600136975 /nfs/dbraw/zinc/13/69/75/600136975.db2.gz RHBJCLWUYHSYCM-HNNXBMFYSA-N 0 1 384.480 2.905 20 0 GFADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)n(-c2ccccc2)n1 ZINC000164534233 600136977 /nfs/dbraw/zinc/13/69/77/600136977.db2.gz RHBJCLWUYHSYCM-HNNXBMFYSA-N 0 1 384.480 2.905 20 0 GFADMN O=C([O-])[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc2O1 ZINC000739603608 600170168 /nfs/dbraw/zinc/17/01/68/600170168.db2.gz GMABDZUZFPMIOS-OXJNMPFZSA-N 0 1 398.434 2.917 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000739622265 600175989 /nfs/dbraw/zinc/17/59/89/600175989.db2.gz DJUWLYZZFFVHDA-FXAWDEMLSA-N 0 1 382.435 2.653 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736458102 600224255 /nfs/dbraw/zinc/22/42/55/600224255.db2.gz YRFKKKSKBQMBIE-UHFFFAOYSA-N 0 1 390.505 2.845 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)CC2)cs1 ZINC000738855923 600279614 /nfs/dbraw/zinc/27/96/14/600279614.db2.gz ZCQWCBJOXUUCNO-KRWDZBQOSA-N 0 1 385.489 2.879 20 0 GFADMN COc1ccccc1Cc1nn(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000738135274 600282068 /nfs/dbraw/zinc/28/20/68/600282068.db2.gz YYBZPSYFVMZGME-CQSZACIVSA-N 0 1 389.477 2.949 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)N1N=C(c3ccco3)C[C@H]1c1ccco1)CC2 ZINC000739531335 600299691 /nfs/dbraw/zinc/29/96/91/600299691.db2.gz GYZKKQDCXVBMII-ZBFHGGJFSA-N 0 1 397.431 2.737 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736789483 600311404 /nfs/dbraw/zinc/31/14/04/600311404.db2.gz NRRGVYULSAJQSN-AEFFLSMTSA-N 0 1 394.537 2.801 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000737684700 600325173 /nfs/dbraw/zinc/32/51/73/600325173.db2.gz XBGNOKKARCLXCO-JSGCOSHPSA-N 0 1 386.404 2.581 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000737684700 600325177 /nfs/dbraw/zinc/32/51/77/600325177.db2.gz XBGNOKKARCLXCO-JSGCOSHPSA-N 0 1 386.404 2.581 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000737684696 600325605 /nfs/dbraw/zinc/32/56/05/600325605.db2.gz XBGNOKKARCLXCO-GXTWGEPZSA-N 0 1 386.404 2.581 20 0 GFADMN 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2.731 20 0 GFADMN CC(C)C[C@H](CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000424240443 600916864 /nfs/dbraw/zinc/91/68/64/600916864.db2.gz GBSLJSHZPBKMCN-GPMSIDNRSA-N 0 1 376.497 2.773 20 0 GFADMN C[C@@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC[N@H+]1C ZINC000736759776 600967278 /nfs/dbraw/zinc/96/72/78/600967278.db2.gz KOFYCRDAPJDSPU-OLZOCXBDSA-N 0 1 379.526 2.678 20 0 GFADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000829275801 600994227 /nfs/dbraw/zinc/99/42/27/600994227.db2.gz GORNHBPHCLGACU-LBPRGKRZSA-N 0 1 394.946 2.741 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)[C@@H](C)C1 ZINC000829759844 601028092 /nfs/dbraw/zinc/02/80/92/601028092.db2.gz LVEPEGNQBKKXQT-JSGCOSHPSA-N 0 1 379.526 2.536 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CCC3(CCCC3)C2)c(C(=O)[O-])c1C ZINC000831475925 601039194 /nfs/dbraw/zinc/03/91/94/601039194.db2.gz RJVWQMIUSGIWGW-UHFFFAOYSA-N 0 1 380.466 2.746 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC3(CCCC3)C2)c(C(=O)[O-])c1C ZINC000831475925 601039195 /nfs/dbraw/zinc/03/91/95/601039195.db2.gz RJVWQMIUSGIWGW-UHFFFAOYSA-N 0 1 380.466 2.746 20 0 GFADMN CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000829613723 601041013 /nfs/dbraw/zinc/04/10/13/601041013.db2.gz QLLUFLXUJWXZHR-LLVKDONJSA-N 0 1 388.295 2.904 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000828257698 601060971 /nfs/dbraw/zinc/06/09/71/601060971.db2.gz INLXBGKZCOMPRN-HNNXBMFYSA-N 0 1 385.468 2.664 20 0 GFADMN COCc1c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)sc2cccc(F)c21 ZINC000630225851 601086116 /nfs/dbraw/zinc/08/61/16/601086116.db2.gz VXRFIFDMSHUWFP-LBPRGKRZSA-N 0 1 394.468 2.808 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000630226980 601104094 /nfs/dbraw/zinc/10/40/94/601104094.db2.gz YEWURFJSXAMVSX-LBPRGKRZSA-N 0 1 377.828 2.616 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000827378926 601106404 /nfs/dbraw/zinc/10/64/04/601106404.db2.gz CSDWMRHYDFRZTM-HNNXBMFYSA-N 0 1 398.434 2.678 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000830706681 601115985 /nfs/dbraw/zinc/11/59/85/601115985.db2.gz QEYUXIBHICTJDC-LEWJYISDSA-N 0 1 398.503 2.721 20 0 GFADMN CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000830706681 601115988 /nfs/dbraw/zinc/11/59/88/601115988.db2.gz QEYUXIBHICTJDC-LEWJYISDSA-N 0 1 398.503 2.721 20 0 GFADMN CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830706681 601115990 /nfs/dbraw/zinc/11/59/90/601115990.db2.gz QEYUXIBHICTJDC-LEWJYISDSA-N 0 1 398.503 2.721 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000833190247 601157254 /nfs/dbraw/zinc/15/72/54/601157254.db2.gz WFZDZOUCRPJUHX-IAGOWNOFSA-N 0 1 394.537 2.739 20 0 GFADMN Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000832940898 601162852 /nfs/dbraw/zinc/16/28/52/601162852.db2.gz RYVHMGLYFGCHSL-OKILXGFUSA-N 0 1 389.496 2.504 20 0 GFADMN C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826031918 601172148 /nfs/dbraw/zinc/17/21/48/601172148.db2.gz WHESEXHMGKUWDO-XJABCFGWSA-N 0 1 396.487 2.856 20 0 GFADMN C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826031918 601172150 /nfs/dbraw/zinc/17/21/50/601172150.db2.gz WHESEXHMGKUWDO-XJABCFGWSA-N 0 1 396.487 2.856 20 0 GFADMN O=C([O-])c1cccc(OCC[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000833331526 601184668 /nfs/dbraw/zinc/18/46/68/601184668.db2.gz LISOVOGQRWHOGO-QGZVFWFLSA-N 0 1 382.460 2.906 20 0 GFADMN O=C([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000833331523 601184755 /nfs/dbraw/zinc/18/47/55/601184755.db2.gz LISOVOGQRWHOGO-KRWDZBQOSA-N 0 1 382.460 2.906 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000237041508 601205099 /nfs/dbraw/zinc/20/50/99/601205099.db2.gz FSELUASWFTZUDB-QGZVFWFLSA-N 0 1 376.478 2.583 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000828456970 601270875 /nfs/dbraw/zinc/27/08/75/601270875.db2.gz PGBGYIVMHSKOFB-CZUORRHYSA-N 0 1 388.493 2.802 20 0 GFADMN CC(C)[C@@H](CO)[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000826688321 601375549 /nfs/dbraw/zinc/37/55/49/601375549.db2.gz XWIYBHHXWKSXNL-HXUWFJFHSA-N 0 1 384.476 2.867 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1)CC(F)(F)F ZINC000829692336 601401214 /nfs/dbraw/zinc/40/12/14/601401214.db2.gz GVFMBKWRAIENCI-ZDUSSCGKSA-N 0 1 384.402 2.898 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000737757237 601477026 /nfs/dbraw/zinc/47/70/26/601477026.db2.gz VDNKDCRNJSHORM-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000737757237 601477028 /nfs/dbraw/zinc/47/70/28/601477028.db2.gz VDNKDCRNJSHORM-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000737757238 601477056 /nfs/dbraw/zinc/47/70/56/601477056.db2.gz VDNKDCRNJSHORM-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000737757238 601477057 /nfs/dbraw/zinc/47/70/57/601477057.db2.gz VDNKDCRNJSHORM-HNAYVOBHSA-N 0 1 383.448 2.656 20 0 GFADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000831585716 601490666 /nfs/dbraw/zinc/49/06/66/601490666.db2.gz OTZRQHXBWGMOGD-ZDUSSCGKSA-N 0 1 390.259 2.530 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000833190039 601499286 /nfs/dbraw/zinc/49/92/86/601499286.db2.gz IKAWGAGTXAWXIS-MRXNPFEDSA-N 0 1 395.297 2.909 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000833190039 601499288 /nfs/dbraw/zinc/49/92/88/601499288.db2.gz IKAWGAGTXAWXIS-MRXNPFEDSA-N 0 1 395.297 2.909 20 0 GFADMN C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000828168230 601517413 /nfs/dbraw/zinc/51/74/13/601517413.db2.gz OAURHEXOSOBNGB-SJLPKXTDSA-N 0 1 394.537 2.556 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C[C@H]1C(=O)[O-] ZINC000263346699 601530612 /nfs/dbraw/zinc/53/06/12/601530612.db2.gz OUDXSVJYQCVMGV-MLGOLLRUSA-N 0 1 384.398 2.849 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000263398660 601532267 /nfs/dbraw/zinc/53/22/67/601532267.db2.gz ZSGVSDWQDYRSOH-GDBMZVCRSA-N 0 1 384.480 2.761 20 0 GFADMN COc1ccc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1OC ZINC000832394261 601539905 /nfs/dbraw/zinc/53/99/05/601539905.db2.gz PDHNJZHKTJXOAB-NVXWUHKLSA-N 0 1 390.480 2.998 20 0 GFADMN COc1ccc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1OC ZINC000832394261 601539907 /nfs/dbraw/zinc/53/99/07/601539907.db2.gz PDHNJZHKTJXOAB-NVXWUHKLSA-N 0 1 390.480 2.998 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC000244047253 601544396 /nfs/dbraw/zinc/54/43/96/601544396.db2.gz TTXBMWPFQUFOBB-STQMWFEESA-N 0 1 380.510 2.747 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC000244047253 601544397 /nfs/dbraw/zinc/54/43/97/601544397.db2.gz TTXBMWPFQUFOBB-STQMWFEESA-N 0 1 380.510 2.747 20 0 GFADMN O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000833104827 601662368 /nfs/dbraw/zinc/66/23/68/601662368.db2.gz GNTSEXXFBKYOTG-OCCSQVGLSA-N 0 1 378.494 2.765 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)CCCc2ccccn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833099851 601730948 /nfs/dbraw/zinc/73/09/48/601730948.db2.gz WRUKRGXTDIWLHX-JOCHJYFZSA-N 0 1 381.476 2.640 20 0 GFADMN O=C([O-])[C@]1(NC(=O)Cc2cccc(F)c2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833117757 601734797 /nfs/dbraw/zinc/73/47/97/601734797.db2.gz WYBXAWGQFSAJOL-NRFANRHFSA-N 0 1 388.414 2.743 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)CSCc2cccnc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116212 601736115 /nfs/dbraw/zinc/73/61/15/601736115.db2.gz WGNKROORYJWHAK-OAQYLSRUSA-N 0 1 399.516 2.550 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3NC(=O)[O-])C2)cc(OC)c1 ZINC000831996486 601739761 /nfs/dbraw/zinc/73/97/61/601739761.db2.gz YCINIHAGYNZRQG-OAHLLOKOSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3NC(=O)[O-])C2)cc(OC)c1 ZINC000831996486 601739762 /nfs/dbraw/zinc/73/97/62/601739762.db2.gz YCINIHAGYNZRQG-OAHLLOKOSA-N 0 1 399.447 2.798 20 0 GFADMN C[C@@H](Sc1ccccn1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827921296 601777507 /nfs/dbraw/zinc/77/75/07/601777507.db2.gz DJQZCUAKFYPOMO-IERDGZPVSA-N 0 1 399.516 2.798 20 0 GFADMN CN(C(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1)c1ccccc1C(=O)[O-] ZINC000830478168 601787478 /nfs/dbraw/zinc/78/74/78/601787478.db2.gz LGIOMPULIGMKLX-SFHVURJKSA-N 0 1 382.460 2.681 20 0 GFADMN CN(C(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)c1ccccc1C(=O)[O-] ZINC000830478168 601787480 /nfs/dbraw/zinc/78/74/80/601787480.db2.gz LGIOMPULIGMKLX-SFHVURJKSA-N 0 1 382.460 2.681 20 0 GFADMN CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCC(=O)[O-])CC3)C2=O)cc1 ZINC000829532375 601788113 /nfs/dbraw/zinc/78/81/13/601788113.db2.gz GJCRDUXVEONXHL-SFHVURJKSA-N 0 1 388.464 2.684 20 0 GFADMN Cc1oc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)[O-] ZINC000833028717 601800459 /nfs/dbraw/zinc/80/04/59/601800459.db2.gz PAAILTUNGWIIOI-NSHDSACASA-N 0 1 389.433 2.820 20 0 GFADMN O=C([O-])c1sccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000833348682 601808507 /nfs/dbraw/zinc/80/85/07/601808507.db2.gz PDAZJVIPKHYRKY-UHFFFAOYSA-N 0 1 382.283 2.926 20 0 GFADMN C[N@@H+](Cc1ccsc1C(=O)[O-])[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000830865793 601822958 /nfs/dbraw/zinc/82/29/58/601822958.db2.gz YJRFELWWYDYNPP-CQSZACIVSA-N 0 1 376.482 2.803 20 0 GFADMN C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000237021066 601833375 /nfs/dbraw/zinc/83/33/75/601833375.db2.gz BOHCFAOXDKKHLK-MRXNPFEDSA-N 0 1 382.869 2.619 20 0 GFADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000825823086 601834160 /nfs/dbraw/zinc/83/41/60/601834160.db2.gz MRSOJHWETMVYOL-AWEZNQCLSA-N 0 1 392.481 2.576 20 0 GFADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000825823087 601834278 /nfs/dbraw/zinc/83/42/78/601834278.db2.gz MRSOJHWETMVYOL-CQSZACIVSA-N 0 1 392.481 2.576 20 0 GFADMN O=C([O-])CCC1CC[NH+](CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 ZINC000833224423 601842694 /nfs/dbraw/zinc/84/26/94/601842694.db2.gz HYZWSBLMJFZULF-UHFFFAOYSA-N 0 1 376.375 2.747 20 0 GFADMN CC[N@H+](CCc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829713260 601875412 /nfs/dbraw/zinc/87/54/12/601875412.db2.gz BQBLKSXFZMFDIV-UHFFFAOYSA-N 0 1 381.432 2.676 20 0 GFADMN CC[N@@H+](CCc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829713260 601875415 /nfs/dbraw/zinc/87/54/15/601875415.db2.gz BQBLKSXFZMFDIV-UHFFFAOYSA-N 0 1 381.432 2.676 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000740238271 601894402 /nfs/dbraw/zinc/89/44/02/601894402.db2.gz ZNTPXSKRYFTATF-OIISXLGYSA-N 0 1 383.452 2.503 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1-c1nn[nH]n1 ZINC000826303718 607532296 /nfs/dbraw/zinc/53/22/96/607532296.db2.gz BGYNUDNOKOKSAV-UHFFFAOYSA-N 0 1 398.492 2.966 20 0 GFADMN Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832979349 601903893 /nfs/dbraw/zinc/90/38/93/601903893.db2.gz MHJSNCDFFHOLAX-FZKQIMNGSA-N 0 1 383.366 2.910 20 0 GFADMN O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833097502 601917114 /nfs/dbraw/zinc/91/71/14/601917114.db2.gz NMYPYLWHGCOWBN-AQNXPRMDSA-N 0 1 388.508 2.817 20 0 GFADMN O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833097502 601917119 /nfs/dbraw/zinc/91/71/19/601917119.db2.gz NMYPYLWHGCOWBN-AQNXPRMDSA-N 0 1 388.508 2.817 20 0 GFADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825972469 601926744 /nfs/dbraw/zinc/92/67/44/601926744.db2.gz SRVWXHBKNPEQGR-VXGBXAGGSA-N 0 1 388.892 2.718 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828175603 601930001 /nfs/dbraw/zinc/93/00/01/601930001.db2.gz CWUBDRQTEJJHMB-QAPCUYQASA-N 0 1 383.448 2.935 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263580410 601937763 /nfs/dbraw/zinc/93/77/63/601937763.db2.gz VYOSWJWNJSOJKF-BLVKFPJESA-N 0 1 389.477 2.942 20 0 GFADMN COCC[N@@H+]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000831744066 602014402 /nfs/dbraw/zinc/01/44/02/602014402.db2.gz FOMBNUOWWZPGKU-NSHDSACASA-N 0 1 389.374 2.588 20 0 GFADMN COCC[N@H+]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000831744066 602014404 /nfs/dbraw/zinc/01/44/04/602014404.db2.gz FOMBNUOWWZPGKU-NSHDSACASA-N 0 1 389.374 2.588 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739645887 602062943 /nfs/dbraw/zinc/06/29/43/602062943.db2.gz ZCPDTOBYPYZVDA-YOEHRIQHSA-N 0 1 396.919 2.974 20 0 GFADMN C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738976273 602085986 /nfs/dbraw/zinc/08/59/86/602085986.db2.gz UURFLZRQTYOAQZ-FUHWJXTLSA-N 0 1 388.512 2.513 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)C1 ZINC000739083437 602086209 /nfs/dbraw/zinc/08/62/09/602086209.db2.gz XSNDUABWMRYGHM-ZSYWTGECSA-N 0 1 394.560 2.918 20 0 GFADMN CCC[C@](C)(NC(=O)[O-])C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000739287322 602114360 /nfs/dbraw/zinc/11/43/60/602114360.db2.gz UDPMBYLONIGZRI-NRFANRHFSA-N 0 1 384.480 2.705 20 0 GFADMN CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CCC(CC(=O)[O-])CC1)OCO3 ZINC000829890022 602253179 /nfs/dbraw/zinc/25/31/79/602253179.db2.gz JLPBLILRJPZIAM-UHFFFAOYSA-N 0 1 386.404 2.831 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000739014171 602263459 /nfs/dbraw/zinc/26/34/59/602263459.db2.gz ZYPQADKCWQXDKU-IFXJQAMLSA-N 0 1 384.480 2.563 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H](C)NC(=O)[O-])cc(=O)oc2c1 ZINC000738573972 602265329 /nfs/dbraw/zinc/26/53/29/602265329.db2.gz XACZCJYRWUBYCI-PXAZEXFGSA-N 0 1 387.436 2.762 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000740729246 602268669 /nfs/dbraw/zinc/26/86/69/602268669.db2.gz HVDUYLHEOOQVKY-LNLFQRSKSA-N 0 1 389.471 2.954 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828455408 602282191 /nfs/dbraw/zinc/28/21/91/602282191.db2.gz BBLIYFZIYHPMGM-JFRXWTBNSA-N 0 1 388.512 2.585 20 0 GFADMN CCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000829596713 602282503 /nfs/dbraw/zinc/28/25/03/602282503.db2.gz ARYOTBPRYIQBSR-UHOSZYNNSA-N 0 1 388.512 2.996 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739102189 602286274 /nfs/dbraw/zinc/28/62/74/602286274.db2.gz FRSOREKUHBSTQO-HUUCEWRRSA-N 0 1 378.473 2.575 20 0 GFADMN O=C([O-])N[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000740687203 602314502 /nfs/dbraw/zinc/31/45/02/602314502.db2.gz NGCXMCKTEPEVLQ-UYAOXDASSA-N 0 1 381.476 2.676 20 0 GFADMN CC(C)C[C@@H](NC(=O)[O-])c1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000738823511 602409904 /nfs/dbraw/zinc/40/99/04/602409904.db2.gz LYPWHDPUYZIVOF-QGZVFWFLSA-N 0 1 387.484 2.742 20 0 GFADMN CC(C)N(CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000738848614 602424414 /nfs/dbraw/zinc/42/44/14/602424414.db2.gz KRSDHXNVVSYMEV-UHFFFAOYSA-N 0 1 376.501 2.682 20 0 GFADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824612316 607568360 /nfs/dbraw/zinc/56/83/60/607568360.db2.gz MUCKIYXBVBDYTR-KUHUBIRLSA-N 0 1 383.452 2.875 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])C1 ZINC000739558822 602515485 /nfs/dbraw/zinc/51/54/85/602515485.db2.gz WRUJXLNDHXMZBW-QZTJIDSGSA-N 0 1 382.464 2.714 20 0 GFADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739496165 602527440 /nfs/dbraw/zinc/52/74/40/602527440.db2.gz DNTJSCHTHXCXON-LPHOPBHVSA-N 0 1 389.496 2.681 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1)C(=O)[O-] ZINC000739666041 602528960 /nfs/dbraw/zinc/52/89/60/602528960.db2.gz ROQZNSZWGQFREN-GFCCVEGCSA-N 0 1 384.274 2.709 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000737938058 602532772 /nfs/dbraw/zinc/53/27/72/602532772.db2.gz SFJADQVMTHBGDG-UHFFFAOYSA-N 0 1 385.258 2.795 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1)C(=O)[O-] ZINC000739666733 602537650 /nfs/dbraw/zinc/53/76/50/602537650.db2.gz UMWNHJCKSRORJO-SECBINFHSA-N 0 1 385.218 2.524 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1)C(=O)[O-] ZINC000739666733 602537651 /nfs/dbraw/zinc/53/76/51/602537651.db2.gz UMWNHJCKSRORJO-SECBINFHSA-N 0 1 385.218 2.524 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738629484 602539194 /nfs/dbraw/zinc/53/91/94/602539194.db2.gz HDQWOZIZKSTGMZ-SJORKVTESA-N 0 1 388.512 2.936 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000737929248 602543846 /nfs/dbraw/zinc/54/38/46/602543846.db2.gz NPKNHGHTCCZNGH-IBGZPJMESA-N 0 1 388.512 2.825 20 0 GFADMN CCC[N@H+](CC(=O)Nc1ccccc1Br)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353235 602545324 /nfs/dbraw/zinc/54/53/24/602545324.db2.gz HVHXNZSMUTZPFG-GFCCVEGCSA-N 0 1 384.274 2.852 20 0 GFADMN CCC[N@@H+](CC(=O)Nc1ccccc1Br)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353235 602545325 /nfs/dbraw/zinc/54/53/25/602545325.db2.gz HVHXNZSMUTZPFG-GFCCVEGCSA-N 0 1 384.274 2.852 20 0 GFADMN O=C([O-])N1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000738645463 602575647 /nfs/dbraw/zinc/57/56/47/602575647.db2.gz YHRRUKAKLJVBJE-YQQQUEKLSA-N 0 1 386.496 2.577 20 0 GFADMN C[C@H](C(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000738630178 602591608 /nfs/dbraw/zinc/59/16/08/602591608.db2.gz KGYSQSYBFNFMIV-OAHLLOKOSA-N 0 1 383.448 2.718 20 0 GFADMN C[C@H](C(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000738630178 602591609 /nfs/dbraw/zinc/59/16/09/602591609.db2.gz KGYSQSYBFNFMIV-OAHLLOKOSA-N 0 1 383.448 2.718 20 0 GFADMN CN(C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1)C(=O)[O-] ZINC000739651677 602626207 /nfs/dbraw/zinc/62/62/07/602626207.db2.gz TYCCNZHZCAFJME-HZPDHXFCSA-N 0 1 394.541 2.601 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)C1 ZINC000739266966 602632335 /nfs/dbraw/zinc/63/23/35/602632335.db2.gz PCSAUHZDBPCDDR-DLBZAZTESA-N 0 1 382.549 2.918 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739110627 602641173 /nfs/dbraw/zinc/64/11/73/602641173.db2.gz NWXQZSRGXAHJHP-CVEARBPZSA-N 0 1 376.501 2.653 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739181722 602773857 /nfs/dbraw/zinc/77/38/57/602773857.db2.gz TZCNEPNEWRQQKX-MFKMUULPSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739181722 602773858 /nfs/dbraw/zinc/77/38/58/602773858.db2.gz TZCNEPNEWRQQKX-MFKMUULPSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739178770 602775551 /nfs/dbraw/zinc/77/55/51/602775551.db2.gz KEAJSDQNURCFNA-OSMZGAPFSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179239 602777710 /nfs/dbraw/zinc/77/77/10/602777710.db2.gz VSJVHBASDGEMIH-GYSYKLTISA-N 0 1 384.274 2.754 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179239 602777711 /nfs/dbraw/zinc/77/77/11/602777711.db2.gz VSJVHBASDGEMIH-GYSYKLTISA-N 0 1 384.274 2.754 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@@H]1NC(=O)[O-] ZINC000739182275 602777840 /nfs/dbraw/zinc/77/78/40/602777840.db2.gz WLVZBESVWTYBBR-HIFRSBDPSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@@H]1NC(=O)[O-] ZINC000739182275 602777843 /nfs/dbraw/zinc/77/78/43/602777843.db2.gz WLVZBESVWTYBBR-HIFRSBDPSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739175167 602793167 /nfs/dbraw/zinc/79/31/67/602793167.db2.gz JRUVFHKIEGYQKB-DFBGVHRSSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739175167 602793168 /nfs/dbraw/zinc/79/31/68/602793168.db2.gz JRUVFHKIEGYQKB-DFBGVHRSSA-N 0 1 385.386 2.789 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)C1 ZINC000739559176 602903992 /nfs/dbraw/zinc/90/39/92/602903992.db2.gz XDLHLXAQFHVUGF-RDTXWAMCSA-N 0 1 386.452 2.627 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1 ZINC000739104232 603077944 /nfs/dbraw/zinc/07/79/44/603077944.db2.gz LOBYMFOQQKIIIK-DNVCBOLYSA-N 0 1 388.512 2.906 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H](CNC(=O)[O-])C3CC3)cc2)C1 ZINC000739112041 603078184 /nfs/dbraw/zinc/07/81/84/603078184.db2.gz RHIIYTLRRORTEF-HNAYVOBHSA-N 0 1 388.512 2.764 20 0 GFADMN CC(C)[C@@](C)(CNC(=O)[O-])[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000738769950 603134823 /nfs/dbraw/zinc/13/48/23/603134823.db2.gz HCCWXWGDUBJZBE-CQSZACIVSA-N 0 1 387.234 2.864 20 0 GFADMN CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000828186169 603157596 /nfs/dbraw/zinc/15/75/96/603157596.db2.gz JXCVMUOGLCCGKA-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN O=C([O-])NC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000740631158 603247411 /nfs/dbraw/zinc/24/74/11/603247411.db2.gz IISWIOARJOOPOE-GFCCVEGCSA-N 0 1 384.274 2.757 20 0 GFADMN Cc1[nH+]ccn1CCCCNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000740241180 603278692 /nfs/dbraw/zinc/27/86/92/603278692.db2.gz XWHCOUAUDZKSHO-UHFFFAOYSA-N 0 1 384.480 2.800 20 0 GFADMN O=C([O-])NC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832404227 603319443 /nfs/dbraw/zinc/31/94/43/603319443.db2.gz YRZNOHHZPGTMHG-WOJBJXKFSA-N 0 1 381.476 2.819 20 0 GFADMN CCN(Cc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000739442477 603344269 /nfs/dbraw/zinc/34/42/69/603344269.db2.gz MQMZJGISQGIXHP-GOSISDBHSA-N 0 1 392.500 2.665 20 0 GFADMN Cc1c2ccccc2sc1C(=O)N1CC[NH+](C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740042235 603350426 /nfs/dbraw/zinc/35/04/26/603350426.db2.gz RPXNCRSFLHUBPY-OAHLLOKOSA-N 0 1 387.505 2.967 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@@H](C)O1 ZINC000739173160 603358059 /nfs/dbraw/zinc/35/80/59/603358059.db2.gz FUQQRQJWHGIZNO-HUUCEWRRSA-N 0 1 392.500 2.806 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000832758120 603405042 /nfs/dbraw/zinc/40/50/42/603405042.db2.gz XBLZIKGEHXCKLO-ACRUOGEOSA-N 0 1 384.476 2.690 20 0 GFADMN CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1)c1nc2ccccc2s1 ZINC000739380512 603415523 /nfs/dbraw/zinc/41/55/23/603415523.db2.gz LQPNNUSOSMNMCA-OLZOCXBDSA-N 0 1 376.482 2.627 20 0 GFADMN CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1)c1nc2ccccc2s1 ZINC000739380512 603415525 /nfs/dbraw/zinc/41/55/25/603415525.db2.gz LQPNNUSOSMNMCA-OLZOCXBDSA-N 0 1 376.482 2.627 20 0 GFADMN O=C([O-])NCc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)o1 ZINC000832671788 603418282 /nfs/dbraw/zinc/41/82/82/603418282.db2.gz IHLWUTGTIGGMRB-UHFFFAOYSA-N 0 1 384.392 2.596 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828176323 603442208 /nfs/dbraw/zinc/44/22/08/603442208.db2.gz OTMWYSAYRPXYSV-SJLPKXTDSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828176323 603442215 /nfs/dbraw/zinc/44/22/15/603442215.db2.gz OTMWYSAYRPXYSV-SJLPKXTDSA-N 0 1 377.460 2.639 20 0 GFADMN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc(CNC(=O)[O-])o3)CC[N@H+]2C)cc1 ZINC000829331568 603451647 /nfs/dbraw/zinc/45/16/47/603451647.db2.gz KKDRQHCFQQRNAG-RDTXWAMCSA-N 0 1 388.420 2.906 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825091811 603482743 /nfs/dbraw/zinc/48/27/43/603482743.db2.gz CZHJWZPVGWBVLX-LESCRADOSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825091811 603482747 /nfs/dbraw/zinc/48/27/47/603482747.db2.gz CZHJWZPVGWBVLX-LESCRADOSA-N 0 1 377.460 2.685 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000828471258 603665354 /nfs/dbraw/zinc/66/53/54/603665354.db2.gz IQTKJYFJXMNCMI-FMKPAKJESA-N 0 1 380.514 2.525 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000826066599 603675129 /nfs/dbraw/zinc/67/51/29/603675129.db2.gz GADNONPYLLJJQK-NEWSRXKRSA-N 0 1 388.512 2.538 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000825873012 603706829 /nfs/dbraw/zinc/70/68/29/603706829.db2.gz RYIUKATYLIJUBV-JTDSTZFVSA-N 0 1 385.508 2.655 20 0 GFADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)C1 ZINC000824257802 603714724 /nfs/dbraw/zinc/71/47/24/603714724.db2.gz VPZBVOGHMGQWOH-AEFFLSMTSA-N 0 1 380.533 2.528 20 0 GFADMN CCC(CC)(CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)NC(=O)[O-] ZINC000826552265 603732349 /nfs/dbraw/zinc/73/23/49/603732349.db2.gz FJIBRRQAUXROJU-HOTGVXAUSA-N 0 1 391.512 2.852 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000827098801 603733500 /nfs/dbraw/zinc/73/35/00/603733500.db2.gz HRSGQXLUAATPMN-GOSISDBHSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000823725297 603829835 /nfs/dbraw/zinc/82/98/35/603829835.db2.gz ZXCYTHZBLZQBAZ-VXGBXAGGSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000823725297 603829839 /nfs/dbraw/zinc/82/98/39/603829839.db2.gz ZXCYTHZBLZQBAZ-VXGBXAGGSA-N 0 1 392.456 2.866 20 0 GFADMN CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](N(C)C(=O)[O-])C3)cc(=O)oc2c1 ZINC000827333634 603837894 /nfs/dbraw/zinc/83/78/94/603837894.db2.gz DYDQYHLVJNPQBQ-CQSZACIVSA-N 0 1 389.408 2.546 20 0 GFADMN CC(C)[C@@H](CC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000824099237 603852018 /nfs/dbraw/zinc/85/20/18/603852018.db2.gz OABHVEHLXJPQTM-ZIAGYGMSSA-N 0 1 386.290 2.590 20 0 GFADMN CC(C)[C@@H](CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000824099237 603852019 /nfs/dbraw/zinc/85/20/19/603852019.db2.gz OABHVEHLXJPQTM-ZIAGYGMSSA-N 0 1 386.290 2.590 20 0 GFADMN CC(C)[C@@H](CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000824099233 603852069 /nfs/dbraw/zinc/85/20/69/603852069.db2.gz OABHVEHLXJPQTM-KGLIPLIRSA-N 0 1 386.290 2.590 20 0 GFADMN CC(C)[C@@H](CC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)NC(=O)[O-] ZINC000824099233 603852070 /nfs/dbraw/zinc/85/20/70/603852070.db2.gz OABHVEHLXJPQTM-KGLIPLIRSA-N 0 1 386.290 2.590 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000826246315 607661950 /nfs/dbraw/zinc/66/19/50/607661950.db2.gz ASDJIGFTHKEZQZ-SFHVURJKSA-N 0 1 376.464 2.570 20 0 GFADMN C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000828167893 603993787 /nfs/dbraw/zinc/99/37/87/603993787.db2.gz BZTOQLCBLBVSSR-LBPRGKRZSA-N 0 1 377.268 2.807 20 0 GFADMN CCC(CC)(CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC(=O)[O-] ZINC000826533831 604002436 /nfs/dbraw/zinc/00/24/36/604002436.db2.gz WGDSGUCVGSMSDS-CYBMUJFWSA-N 0 1 382.530 2.620 20 0 GFADMN CCC(CC)(CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC(=O)[O-] ZINC000826533831 604002442 /nfs/dbraw/zinc/00/24/42/604002442.db2.gz WGDSGUCVGSMSDS-CYBMUJFWSA-N 0 1 382.530 2.620 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000832573822 604081257 /nfs/dbraw/zinc/08/12/57/604081257.db2.gz UEVZRSBMSJXJDM-NSHDSACASA-N 0 1 388.237 2.649 20 0 GFADMN Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)c(C)c1 ZINC000830356708 604104237 /nfs/dbraw/zinc/10/42/37/604104237.db2.gz ASIQJOUMUCDHCF-MRXNPFEDSA-N 0 1 377.485 2.769 20 0 GFADMN C[C@@H]1CCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)CC[N@H+]1Cc1ccccc1 ZINC000825956399 604110902 /nfs/dbraw/zinc/11/09/02/604110902.db2.gz TWOBBXZKNHIPDH-OAHLLOKOSA-N 0 1 387.484 2.669 20 0 GFADMN C[C@H]1CCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)CC[N@H+]1Cc1ccccc1 ZINC000825956398 604111006 /nfs/dbraw/zinc/11/10/06/604111006.db2.gz TWOBBXZKNHIPDH-HNNXBMFYSA-N 0 1 387.484 2.669 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000830819189 604135832 /nfs/dbraw/zinc/13/58/32/604135832.db2.gz XXXWNGIPPZAUNE-KBXCAEBGSA-N 0 1 386.452 2.517 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000830819237 604144039 /nfs/dbraw/zinc/14/40/39/604144039.db2.gz ZAEDTYAIFJRIEA-GDBMZVCRSA-N 0 1 385.468 2.883 20 0 GFADMN C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000828090077 604169728 /nfs/dbraw/zinc/16/97/28/604169728.db2.gz JGSWKDHYDHFAKQ-UHFFFAOYSA-N 0 1 385.464 2.883 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252709 604187300 /nfs/dbraw/zinc/18/73/00/604187300.db2.gz GGOPQJWBUROELA-BBWFWOEESA-N 0 1 388.512 2.982 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000825267486 604193974 /nfs/dbraw/zinc/19/39/74/604193974.db2.gz YRUJOAUHCQLIIN-RYUDHWBXSA-N 0 1 384.274 2.756 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000825267486 604193977 /nfs/dbraw/zinc/19/39/77/604193977.db2.gz YRUJOAUHCQLIIN-RYUDHWBXSA-N 0 1 384.274 2.756 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])C1 ZINC000827645935 604203685 /nfs/dbraw/zinc/20/36/85/604203685.db2.gz ZETHKQRXPHCPMN-XHSDSOJGSA-N 0 1 377.489 2.618 20 0 GFADMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059578 607679843 /nfs/dbraw/zinc/67/98/43/607679843.db2.gz HEORDFHTKGPSRK-DNVCBOLYSA-N 0 1 392.511 2.702 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2csc(CNC(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000825852535 604240321 /nfs/dbraw/zinc/24/03/21/604240321.db2.gz NWYIBMCZQXKFLL-UKRRQHHQSA-N 0 1 388.493 2.694 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC000825251777 604241685 /nfs/dbraw/zinc/24/16/85/604241685.db2.gz AWOYJXJOTKJEPE-KKUMJFAQSA-N 0 1 377.510 2.882 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)sc2C1 ZINC000827236629 604290727 /nfs/dbraw/zinc/29/07/27/604290727.db2.gz HEQVAUKTEMLDAJ-OLZOCXBDSA-N 0 1 380.514 2.876 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)C[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)sc2C1 ZINC000827236629 604290729 /nfs/dbraw/zinc/29/07/29/604290729.db2.gz HEQVAUKTEMLDAJ-OLZOCXBDSA-N 0 1 380.514 2.876 20 0 GFADMN O=C([O-])CSCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715028245 604300230 /nfs/dbraw/zinc/30/02/30/604300230.db2.gz PBMHUSHKLDDIGH-QZTJIDSGSA-N 0 1 391.537 2.500 20 0 GFADMN COc1cccc(OCCN2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)c1 ZINC000832572458 604374030 /nfs/dbraw/zinc/37/40/30/604374030.db2.gz CZEWZEKWEUQGGJ-UHFFFAOYSA-N 0 1 376.478 2.652 20 0 GFADMN COc1cccc(OCC[NH+]2CCN(Cc3ccsc3C(=O)[O-])CC2)c1 ZINC000832572458 604374034 /nfs/dbraw/zinc/37/40/34/604374034.db2.gz CZEWZEKWEUQGGJ-UHFFFAOYSA-N 0 1 376.478 2.652 20 0 GFADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740188076 604375535 /nfs/dbraw/zinc/37/55/35/604375535.db2.gz VQILGUNJNIQKBT-SVFBPWRDSA-N 0 1 384.476 2.804 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CCO1 ZINC000825370906 604452691 /nfs/dbraw/zinc/45/26/91/604452691.db2.gz CNKJTVGEUWEIHP-BMIGLBTASA-N 0 1 380.242 2.859 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000832050941 604456520 /nfs/dbraw/zinc/45/65/20/604456520.db2.gz TWBRGVXMZVKMHD-FQEVSTJZSA-N 0 1 398.459 2.678 20 0 GFADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000833691344 604520942 /nfs/dbraw/zinc/52/09/42/604520942.db2.gz 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Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](CNC(=O)[O-])C[C@@H]2C)cc1F ZINC000833918526 605917430 /nfs/dbraw/zinc/91/74/30/605917430.db2.gz OIUMISSVCDRMHN-SWLSCSKDSA-N 0 1 389.431 2.507 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000740592721 605931399 /nfs/dbraw/zinc/93/13/99/605931399.db2.gz AUSGROXIADXJTI-AWEZNQCLSA-N 0 1 385.386 2.538 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000740592721 605931403 /nfs/dbraw/zinc/93/14/03/605931403.db2.gz AUSGROXIADXJTI-AWEZNQCLSA-N 0 1 385.386 2.538 20 0 GFADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822723814 606087873 /nfs/dbraw/zinc/08/78/73/606087873.db2.gz PKEWMFRHSGUNCD-HNNXBMFYSA-N 0 1 389.385 2.967 20 0 GFADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822723814 606087875 /nfs/dbraw/zinc/08/78/75/606087875.db2.gz PKEWMFRHSGUNCD-HNNXBMFYSA-N 0 1 389.385 2.967 20 0 GFADMN C[C@@H](c1ccccn1)N1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820571444 606110006 /nfs/dbraw/zinc/11/00/06/606110006.db2.gz YPXVCMSVILTTND-HNNXBMFYSA-N 0 1 386.463 2.693 20 0 GFADMN Cc1cc(Oc2ccc(-c3nn[nH]n3)cc2)ccc1NC(=O)CCc1nc[nH]n1 ZINC000822212047 606155834 /nfs/dbraw/zinc/15/58/34/606155834.db2.gz ZXWVJMVSQMOMCB-UHFFFAOYSA-N 0 1 390.407 2.657 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820759786 606173772 /nfs/dbraw/zinc/17/37/72/606173772.db2.gz NRDMLKPJFZMXNA-VXGBXAGGSA-N 0 1 384.406 2.797 20 0 GFADMN COc1ccc(Br)cc1CNCc1cc(-c2nn[nH]n2)cs1 ZINC000821769995 606217158 /nfs/dbraw/zinc/21/71/58/606217158.db2.gz MVPUICFDKNBXIV-UHFFFAOYSA-N 0 1 380.271 2.989 20 0 GFADMN C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1)c1nnc[nH]1 ZINC000820398013 606290257 /nfs/dbraw/zinc/29/02/57/606290257.db2.gz ZERFJCASQWSLRL-NSHDSACASA-N 0 1 392.448 2.627 20 0 GFADMN C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(F)c(F)c1 ZINC000820420456 606297681 /nfs/dbraw/zinc/29/76/81/606297681.db2.gz RHPVYSVAPLXMRY-YMTOWFKASA-N 0 1 390.419 2.663 20 0 GFADMN O=C1[C@@H](N2CCC(c3ccccc3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504233 606317257 /nfs/dbraw/zinc/31/72/57/606317257.db2.gz NKGTXDLHJNSBKS-KRWDZBQOSA-N 0 1 394.504 2.913 20 0 GFADMN C[C@@H](CN(C)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254686 606318119 /nfs/dbraw/zinc/31/81/19/606318119.db2.gz UWYMXJQVJVECJI-BBRMVZONSA-N 0 1 382.493 2.769 20 0 GFADMN C[C@@H](OC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820488832 606340695 /nfs/dbraw/zinc/34/06/95/606340695.db2.gz VBKKQZBRCRWHPU-OAHLLOKOSA-N 0 1 385.468 2.506 20 0 GFADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)N2CCCC2)o1 ZINC000822230800 606346063 /nfs/dbraw/zinc/34/60/63/606346063.db2.gz QSDDUSQKTQFSBD-INIZCTEOSA-N 0 1 399.430 2.866 20 0 GFADMN CN(C)Cc1ccnc(NC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000821588184 606392156 /nfs/dbraw/zinc/39/21/56/606392156.db2.gz GJMRUCWFDWAQEX-UHFFFAOYSA-N 0 1 388.888 2.786 20 0 GFADMN CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933222 606413671 /nfs/dbraw/zinc/41/36/71/606413671.db2.gz KCTURKZRSQLHKK-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933222 606413672 /nfs/dbraw/zinc/41/36/72/606413672.db2.gz KCTURKZRSQLHKK-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819939938 606422619 /nfs/dbraw/zinc/42/26/19/606422619.db2.gz LUDYXYULTIRKRO-AAEUAGOBSA-N 0 1 378.502 2.711 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819939938 606422621 /nfs/dbraw/zinc/42/26/21/606422621.db2.gz LUDYXYULTIRKRO-AAEUAGOBSA-N 0 1 378.502 2.711 20 0 GFADMN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261882 606498049 /nfs/dbraw/zinc/49/80/49/606498049.db2.gz VOVNZPCEMKKOLP-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261882 606498051 /nfs/dbraw/zinc/49/80/51/606498051.db2.gz VOVNZPCEMKKOLP-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822016326 606504345 /nfs/dbraw/zinc/50/43/45/606504345.db2.gz XKIAVFAMJAFTCQ-GFCCVEGCSA-N 0 1 397.458 2.836 20 0 GFADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CCN1Cc1ccccc1 ZINC000820717988 606579211 /nfs/dbraw/zinc/57/92/11/606579211.db2.gz ZPLRRPFUPGIERD-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761257 606584385 /nfs/dbraw/zinc/58/43/85/606584385.db2.gz WLSOVFIPTJCSCQ-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761257 606584386 /nfs/dbraw/zinc/58/43/86/606584386.db2.gz WLSOVFIPTJCSCQ-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761257 606584387 /nfs/dbraw/zinc/58/43/87/606584387.db2.gz WLSOVFIPTJCSCQ-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761257 606584388 /nfs/dbraw/zinc/58/43/88/606584388.db2.gz WLSOVFIPTJCSCQ-UKRRQHHQSA-N 0 1 382.493 2.569 20 0 GFADMN CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000819899359 606623200 /nfs/dbraw/zinc/62/32/00/606623200.db2.gz SRELSKSLYBBEFA-UHFFFAOYSA-N 0 1 385.449 2.896 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000823589052 606636949 /nfs/dbraw/zinc/63/69/49/606636949.db2.gz KEBSSKZERGWWED-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229616 606716330 /nfs/dbraw/zinc/71/63/30/606716330.db2.gz YAUWUHUXGJDZIK-SCLBCKFNSA-N 0 1 380.427 2.770 20 0 GFADMN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822035644 606751061 /nfs/dbraw/zinc/75/10/61/606751061.db2.gz XXAARCVOPCYXPL-UHFFFAOYSA-N 0 1 392.872 2.695 20 0 GFADMN Cc1ccc(-c2n[nH]c(SC[C@H](O)c3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000822214961 606847725 /nfs/dbraw/zinc/84/77/25/606847725.db2.gz GLFIPMQXPRDONP-HNNXBMFYSA-N 0 1 379.449 2.786 20 0 GFADMN CC(C)C[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820063549 606859583 /nfs/dbraw/zinc/85/95/83/606859583.db2.gz VWQDMPBVHOGQPG-MRXNPFEDSA-N 0 1 377.514 2.541 20 0 GFADMN CC(=O)Nc1cccc2c1CCN(CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000819826625 606886259 /nfs/dbraw/zinc/88/62/59/606886259.db2.gz MEUOJWVAIOZPKI-UHFFFAOYSA-N 0 1 392.463 2.652 20 0 GFADMN O[C@@H](CN1CCn2cccc2[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680933 606920197 /nfs/dbraw/zinc/92/01/97/606920197.db2.gz BKBRHDIEWWUHDS-LEWJYISDSA-N 0 1 386.459 2.807 20 0 GFADMN CCN(Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821222783 606972172 /nfs/dbraw/zinc/97/21/72/606972172.db2.gz ZJOFLPKWDGGGNM-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1-c1ncco1 ZINC000822258915 607002618 /nfs/dbraw/zinc/00/26/18/607002618.db2.gz HJXKQBBBPAUSCV-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](CC(C)C)C2)cc1-c1nn[nH]n1 ZINC000821971031 607072134 /nfs/dbraw/zinc/07/21/34/607072134.db2.gz WDOWZTSRHABCRG-LLVKDONJSA-N 0 1 376.486 2.588 20 0 GFADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820958116 607106420 /nfs/dbraw/zinc/10/64/20/607106420.db2.gz RNAXXXGWIWLFJZ-HZPDHXFCSA-N 0 1 397.483 2.942 20 0 GFADMN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821127555 607112701 /nfs/dbraw/zinc/11/27/01/607112701.db2.gz ITRMTYPYJLHARN-UHFFFAOYSA-N 0 1 391.428 2.904 20 0 GFADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1C(F)(F)F ZINC000823705858 607230214 /nfs/dbraw/zinc/23/02/14/607230214.db2.gz IDZJWSIEDWIWSO-LLVKDONJSA-N 0 1 397.426 2.888 20 0 GFADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1C(F)(F)F ZINC000823705858 607230215 /nfs/dbraw/zinc/23/02/15/607230215.db2.gz IDZJWSIEDWIWSO-LLVKDONJSA-N 0 1 397.426 2.888 20 0 GFADMN c1c(CN2CCO[C@@]3(CCc4ccccc43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826523316 607802771 /nfs/dbraw/zinc/80/27/71/607802771.db2.gz IPDQMMFAQAUXFK-QFIPXVFZSA-N 0 1 386.459 2.793 20 0 GFADMN CCN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825460337 607824844 /nfs/dbraw/zinc/82/48/44/607824844.db2.gz UCZRBTJOQOORHK-OAHLLOKOSA-N 0 1 376.464 2.700 20 0 GFADMN CN1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826028656 607854689 /nfs/dbraw/zinc/85/46/89/607854689.db2.gz FGHDEMBOJXZNRI-HOCLYGCPSA-N 0 1 376.823 2.787 20 0 GFADMN COc1cccc(-c2nc(C)c(C(=O)N(C)c3cccc(-c4nn[nH]n4)c3)[nH]2)c1 ZINC000826213933 607886692 /nfs/dbraw/zinc/88/66/92/607886692.db2.gz SKSODYWGALQELY-UHFFFAOYSA-N 0 1 389.419 2.850 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582608 607925085 /nfs/dbraw/zinc/92/50/85/607925085.db2.gz LYDLVJPJXXWKDI-IAGOWNOFSA-N 0 1 399.495 2.823 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582608 607925086 /nfs/dbraw/zinc/92/50/86/607925086.db2.gz LYDLVJPJXXWKDI-IAGOWNOFSA-N 0 1 399.495 2.823 20 0 GFADMN CN1CC[C@@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029222 608007599 /nfs/dbraw/zinc/00/75/99/608007599.db2.gz QTFOZJOULXRCPS-MJGOQNOKSA-N 0 1 394.504 2.520 20 0 GFADMN CN1CC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029223 608007821 /nfs/dbraw/zinc/00/78/21/608007821.db2.gz QTFOZJOULXRCPS-PKOBYXMFSA-N 0 1 394.504 2.520 20 0 GFADMN C[C@@H](CCSc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824406220 608035281 /nfs/dbraw/zinc/03/52/81/608035281.db2.gz GDNKSCIXTRLUKQ-ZDUSSCGKSA-N 0 1 386.529 2.607 20 0 GFADMN C[C@@H](CCSc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824406220 608035282 /nfs/dbraw/zinc/03/52/82/608035282.db2.gz GDNKSCIXTRLUKQ-ZDUSSCGKSA-N 0 1 386.529 2.607 20 0 GFADMN C[C@@H](CCSc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824406220 608035283 /nfs/dbraw/zinc/03/52/83/608035283.db2.gz GDNKSCIXTRLUKQ-ZDUSSCGKSA-N 0 1 386.529 2.607 20 0 GFADMN C[C@@H](CCSc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824406220 608035284 /nfs/dbraw/zinc/03/52/84/608035284.db2.gz GDNKSCIXTRLUKQ-ZDUSSCGKSA-N 0 1 386.529 2.607 20 0 GFADMN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1-c1nn[nH]n1 ZINC000824328912 608106127 /nfs/dbraw/zinc/10/61/27/608106127.db2.gz DNKRDBAUWQCJMJ-LLVKDONJSA-N 0 1 399.459 2.778 20 0 GFADMN CCN(Cc1ccc(OC)cc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825435118 608153395 /nfs/dbraw/zinc/15/33/95/608153395.db2.gz MPHHTSWVNXNLMC-IBGZPJMESA-N 0 1 392.463 2.503 20 0 GFADMN Cc1cccc(NC[C@H]2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)C2)n1 ZINC000826299338 608280954 /nfs/dbraw/zinc/28/09/54/608280954.db2.gz AEKJHUUCIUGTGB-OAHLLOKOSA-N 0 1 390.495 2.782 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332465 608317280 /nfs/dbraw/zinc/31/72/80/608317280.db2.gz VJUSUYZNBISRJC-IRXDYDNUSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332465 608317282 /nfs/dbraw/zinc/31/72/82/608317282.db2.gz VJUSUYZNBISRJC-IRXDYDNUSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332465 608317284 /nfs/dbraw/zinc/31/72/84/608317284.db2.gz VJUSUYZNBISRJC-IRXDYDNUSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332465 608317285 /nfs/dbraw/zinc/31/72/85/608317285.db2.gz VJUSUYZNBISRJC-IRXDYDNUSA-N 0 1 393.495 2.609 20 0 GFADMN CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825435422 608352469 /nfs/dbraw/zinc/35/24/69/608352469.db2.gz XRJFRUAJGHUXIU-UHFFFAOYSA-N 0 1 383.452 2.915 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826169473 608358548 /nfs/dbraw/zinc/35/85/48/608358548.db2.gz TZUADQYWAWYPBW-MRXNPFEDSA-N 0 1 379.420 2.941 20 0 GFADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824333826 608454160 /nfs/dbraw/zinc/45/41/60/608454160.db2.gz NLWSJZCGQZURJI-OAHLLOKOSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562226 608465223 /nfs/dbraw/zinc/46/52/23/608465223.db2.gz CZGAYGBZBOIENG-NSHDSACASA-N 0 1 395.448 2.873 20 0 GFADMN CCc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825711541 608465698 /nfs/dbraw/zinc/46/56/98/608465698.db2.gz FFSWMGOCEAGOGH-HNNXBMFYSA-N 0 1 378.480 2.738 20 0 GFADMN Cc1cccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826296215 608533935 /nfs/dbraw/zinc/53/39/35/608533935.db2.gz NLLXPZGTXFHRJF-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN CC(C)(NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC000824168028 608550691 /nfs/dbraw/zinc/55/06/91/608550691.db2.gz WWNILQXRYJMHKS-UHFFFAOYSA-N 0 1 378.408 2.670 20 0 GFADMN COc1cccc(C2(NCC(=O)Nc3cc(Cl)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826215504 608550945 /nfs/dbraw/zinc/55/09/45/608550945.db2.gz QIASBLSHLHHAPX-UHFFFAOYSA-N 0 1 398.854 2.746 20 0 GFADMN 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VWRPHHHFXUONNU-UHFFFAOYSA-N 0 1 390.933 2.852 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2ncc(-c3ccccc3Br)o2)[C@@H](C)C1 ZINC000192830975 552975152 /nfs/dbraw/zinc/97/51/52/552975152.db2.gz JKESFFYJXGDROB-UONOGXRCSA-N 0 1 394.313 2.991 20 0 GFADMN O=C(CCc1cnc[nH]1)Nc1cc(F)c(I)c(F)c1 ZINC000193043417 552981395 /nfs/dbraw/zinc/98/13/95/552981395.db2.gz DBGNWORSIPSENP-UHFFFAOYSA-N 0 1 377.132 2.864 20 0 GFADMN COc1ccc(NS(=O)(=O)c2ccco2)c(I)c1 ZINC000193063880 552982177 /nfs/dbraw/zinc/98/21/77/552982177.db2.gz NJCXTDUYXWSRSS-UHFFFAOYSA-N 0 1 379.175 2.694 20 0 GFADMN CCN(CC)CCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000193612175 552998707 /nfs/dbraw/zinc/99/87/07/552998707.db2.gz NUISPEUCRMHSEA-INIZCTEOSA-N 0 1 387.933 2.703 20 0 GFADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2c(c(Br)c1)OCO2 ZINC000194118611 553012225 /nfs/dbraw/zinc/01/22/25/553012225.db2.gz DZHFSXKGLGRRHQ-UHFFFAOYSA-N 0 1 377.154 2.808 20 0 GFADMN C=Cn1cc(CN[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000194419096 553020168 /nfs/dbraw/zinc/02/01/68/553020168.db2.gz XFWVZJOMSDVVQV-INIZCTEOSA-N 0 1 375.270 2.950 20 0 GFADMN Cc1nc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1I ZINC000194535676 553023696 /nfs/dbraw/zinc/02/36/96/553023696.db2.gz MAVOKEDJLMLXID-SECBINFHSA-N 0 1 382.205 2.776 20 0 GFADMN CN(C)[C@@H](CNC(=O)NC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000194851571 553031796 /nfs/dbraw/zinc/03/17/96/553031796.db2.gz DPTOJFAPBYHJKP-ZDUSSCGKSA-N 0 1 378.464 2.677 20 0 GFADMN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN2CCCC[C@@H]2C1 ZINC000195073517 553037259 /nfs/dbraw/zinc/03/72/59/553037259.db2.gz ZLBKAQHAITZNMT-CJNGLKHVSA-N 0 1 379.913 2.840 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccccc2Br)C1 ZINC000195071667 553037385 /nfs/dbraw/zinc/03/73/85/553037385.db2.gz DDCSIGYFDYZCGJ-HNNXBMFYSA-N 0 1 384.318 2.605 20 0 GFADMN O=C(CNCC1=Cc2cc(Br)ccc2OC1)NCc1ccco1 ZINC000236756636 553071092 /nfs/dbraw/zinc/07/10/92/553071092.db2.gz JTBRZLRRMOSESQ-UHFFFAOYSA-N 0 1 377.238 2.724 20 0 GFADMN C[C@H]1CN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)CCN1 ZINC000237749117 553080993 /nfs/dbraw/zinc/08/09/93/553080993.db2.gz KGZHISXCKMMLHI-VIFPVBQESA-N 0 1 386.340 2.997 20 0 GFADMN O=C(NCCc1ccc(F)c(Br)c1)[C@H]1Cc2ccccc2CN1 ZINC000237752068 553081169 /nfs/dbraw/zinc/08/11/69/553081169.db2.gz HJAYRZOUVLAOBZ-QGZVFWFLSA-N 0 1 377.257 2.961 20 0 GFADMN COc1ccc(Br)cc1[C@@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC000245200372 553089480 /nfs/dbraw/zinc/08/94/80/553089480.db2.gz ZWVXUISJDAOVMX-ZBFHGGJFSA-N 0 1 380.286 2.852 20 0 GFADMN NC(=O)[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Br)c1 ZINC000245670511 553095212 /nfs/dbraw/zinc/09/52/12/553095212.db2.gz JTRSJUPMBBOSMM-ZJIFWQFVSA-N 0 1 379.298 2.913 20 0 GFADMN CCN1CCCC[C@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000245889998 553099169 /nfs/dbraw/zinc/09/91/69/553099169.db2.gz FTOULAVOOQZVTC-OCCSQVGLSA-N 0 1 375.296 2.724 20 0 GFADMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(F)ccc1Br ZINC000246183823 553103825 /nfs/dbraw/zinc/10/38/25/553103825.db2.gz HJOTTXXQJKLAPK-GXFFZTMASA-N 0 1 379.295 2.549 20 0 GFADMN C[C@H](Oc1cccc(Br)c1)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000246738737 553112273 /nfs/dbraw/zinc/11/22/73/553112273.db2.gz MUTPIHBDXIRHMO-KFWWJZLASA-N 0 1 399.329 2.832 20 0 GFADMN CCN(CC)CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000248273983 553128313 /nfs/dbraw/zinc/12/83/13/553128313.db2.gz XMVAYJCQUMCZQU-UHFFFAOYSA-N 0 1 386.945 2.885 20 0 GFADMN O=C1NC(=O)[C@@]2(CCC[N@H+]([C@H]3CCCc4ccc(Br)cc43)C2)N1 ZINC000248672672 553133342 /nfs/dbraw/zinc/13/33/42/553133342.db2.gz GFVWOTWUABHAGN-YOEHRIQHSA-N 0 1 378.270 2.501 20 0 GFADMN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000248839580 553135564 /nfs/dbraw/zinc/13/55/64/553135564.db2.gz KWSWFHWXNSWBQJ-GUYCJALGSA-N 0 1 387.307 2.862 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000249449146 553143376 /nfs/dbraw/zinc/14/33/76/553143376.db2.gz FXLILMUXBUMBAB-DYVFJYSZSA-N 0 1 381.523 2.513 20 0 GFADMN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(Br)c1 ZINC000252466236 553149868 /nfs/dbraw/zinc/14/98/68/553149868.db2.gz WAYDVMFUWULMNA-QWHCGFSZSA-N 0 1 375.332 2.861 20 0 GFADMN C[C@H](O)c1ccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261722691 553157379 /nfs/dbraw/zinc/15/73/79/553157379.db2.gz KGMSXGGUYMXHKB-SGTLLEGYSA-N 0 1 377.282 2.993 20 0 GFADMN CC(C)c1nnc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)s1 ZINC000261801603 553160015 /nfs/dbraw/zinc/16/00/15/553160015.db2.gz RANJCEPBVSIKAD-OAHLLOKOSA-N 0 1 383.315 2.914 20 0 GFADMN C[C@](N)(C(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Br)cc1 ZINC000261843457 553160904 /nfs/dbraw/zinc/16/09/04/553160904.db2.gz VCUSZGSXGWJRCK-YVEFUNNKSA-N 0 1 377.286 2.752 20 0 GFADMN COc1cc(CN(C)C(=O)[C@](C)(N)c2ccc(Br)cc2)ccc1O ZINC000261865677 553161312 /nfs/dbraw/zinc/16/13/12/553161312.db2.gz XGXKPRSPVUNJAO-GOSISDBHSA-N 0 1 393.281 2.996 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000261965834 553163587 /nfs/dbraw/zinc/16/35/87/553163587.db2.gz YIRPYCKVKAMIQF-CQSZACIVSA-N 0 1 397.313 2.984 20 0 GFADMN Cc1noc([C@@H]2CCCN(C(=O)[C@](C)(N)c3ccc(Br)cc3)C2)n1 ZINC000261978868 553163981 /nfs/dbraw/zinc/16/39/81/553163981.db2.gz OIWMVHNSYZBSFD-SJKOYZFVSA-N 0 1 393.285 2.721 20 0 GFADMN C[C@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000263340869 553186192 /nfs/dbraw/zinc/18/61/92/553186192.db2.gz NKGYFDZCBOFMRE-DYEKYZERSA-N 0 1 383.286 2.669 20 0 GFADMN C[C@@H](CNC(=O)COc1cc(Cl)c(Cl)cc1Cl)N1CCN(C)CC1 ZINC000263812024 553194069 /nfs/dbraw/zinc/19/40/69/553194069.db2.gz XCSPDLFDHLQLNJ-NSHDSACASA-N 0 1 394.730 2.778 20 0 GFADMN CCCCN(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000509834445 564314580 /nfs/dbraw/zinc/31/45/80/564314580.db2.gz VYCJBYFNICQMHQ-UHFFFAOYSA-N 0 1 384.318 2.886 20 0 GFADMN CCc1sc(C(=O)NC[C@@H]2CCCCN2CCO)cc1Br ZINC000452379874 564411287 /nfs/dbraw/zinc/41/12/87/564411287.db2.gz RNLGAFVMYNKMRQ-NSHDSACASA-N 0 1 375.332 2.650 20 0 GFADMN O=C(NC[C@H]1CCCCN1CCO)c1cc(Cl)c(F)cc1Br ZINC000452380865 564411738 /nfs/dbraw/zinc/41/17/38/564411738.db2.gz UOMDTSYNJNOJFR-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN COC[C@@](C)(NS(=O)(=O)c1ccc(F)cc1Br)C(F)(F)F ZINC000479139874 564427064 /nfs/dbraw/zinc/42/70/64/564427064.db2.gz BRAKFKNOAOXAPE-SNVBAGLBSA-N 0 1 394.184 2.834 20 0 GFADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)sc1C ZINC000674891106 565886360 /nfs/dbraw/zinc/88/63/60/565886360.db2.gz NEHWJOWYJSIVIV-NSHDSACASA-N 0 1 381.361 2.972 20 0 GFADMN Cc1ccc(I)c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000370344742 563240920 /nfs/dbraw/zinc/24/09/20/563240920.db2.gz ZRRRPHLCIJVGNK-JTQLQIEISA-N 0 1 381.217 2.610 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000281943967 563390960 /nfs/dbraw/zinc/39/09/60/563390960.db2.gz LQJAYBZCHQFGHF-VIFPVBQESA-N 0 1 393.688 2.609 20 0 GFADMN COc1cc(Br)c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000316697583 563441725 /nfs/dbraw/zinc/44/17/25/563441725.db2.gz IFVGIJQMPFBMDG-LLVKDONJSA-N 0 1 390.299 2.858 20 0 GFADMN COc1cc(Br)c(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000316697583 563441727 /nfs/dbraw/zinc/44/17/27/563441727.db2.gz IFVGIJQMPFBMDG-LLVKDONJSA-N 0 1 390.299 2.858 20 0 GFADMN Cc1cc(Br)cc(CN2CCN(C[C@H](C)O)CC2)c1OC(F)F ZINC000428396415 563489999 /nfs/dbraw/zinc/48/99/99/563489999.db2.gz GSHARAVQGXQULK-LBPRGKRZSA-N 0 1 393.272 2.857 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000294699227 563213051 /nfs/dbraw/zinc/21/30/51/563213051.db2.gz WBIBFPRYCUIIHY-SNVBAGLBSA-N 0 1 389.257 2.806 20 0 GFADMN O=C(CCc1cccc(F)c1Br)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000294778233 563216425 /nfs/dbraw/zinc/21/64/25/563216425.db2.gz AKGZZBAVWAIODS-AWEZNQCLSA-N 0 1 399.304 2.702 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277668102 563220242 /nfs/dbraw/zinc/22/02/42/563220242.db2.gz FLDLAAGXKYZJKP-CQSZACIVSA-N 0 1 388.917 2.576 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C[S@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952820 563222774 /nfs/dbraw/zinc/22/27/74/563222774.db2.gz WAQCRXPACQHWNZ-SGANQWHYSA-N 0 1 378.460 2.973 20 0 GFADMN CN(c1nc(C(F)(F)F)c(Br)s1)C1CCN(CCO)CC1 ZINC000418856122 563228073 /nfs/dbraw/zinc/22/80/73/563228073.db2.gz OFMSXMKFVIHACO-UHFFFAOYSA-N 0 1 388.253 2.817 20 0 GFADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000295068275 563228376 /nfs/dbraw/zinc/22/83/76/563228376.db2.gz AEAAOSLCVMNDLE-JOQOYGCGSA-N 0 1 389.293 2.764 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CC[C@](C)(COC)C1 ZINC000295141948 563230894 /nfs/dbraw/zinc/23/08/94/563230894.db2.gz PYBMEIOLIDVPKF-UGSOOPFHSA-N 0 1 399.329 2.821 20 0 GFADMN C[C@H]1CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)CN1CCO ZINC000419330557 563237329 /nfs/dbraw/zinc/23/73/29/563237329.db2.gz GBYCPWGBAJSSGN-QWRGUYRKSA-N 0 1 394.730 2.972 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnn3cc(Br)cnc23)n[nH]1 ZINC000278047717 563238450 /nfs/dbraw/zinc/23/84/50/563238450.db2.gz ZTXOKLYYEJFKGX-BDAKNGLRSA-N 0 1 392.261 2.614 20 0 GFADMN C[C@H]1CN(Cc2cccc(Br)c2OC(F)F)[C@@H](C)CN1CCO ZINC000419346759 563238471 /nfs/dbraw/zinc/23/84/71/563238471.db2.gz VVTYCJFZOCLGGT-RYUDHWBXSA-N 0 1 393.272 2.937 20 0 GFADMN O=C(Nc1cccc(CN2C[C@@H](O)[C@H](O)C2)c1)c1ccc(Cl)cc1Cl ZINC000278110130 563241116 /nfs/dbraw/zinc/24/11/16/563241116.db2.gz AACDGHIKHXLUAJ-IAGOWNOFSA-N 0 1 381.259 2.783 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000278241806 563246127 /nfs/dbraw/zinc/24/61/27/563246127.db2.gz AXDMXNINUUBOFG-GFCCVEGCSA-N 0 1 383.779 2.664 20 0 GFADMN CN(C)[C@@H](CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1ccsc1 ZINC000278233056 563246311 /nfs/dbraw/zinc/24/63/11/563246311.db2.gz FRRSZVZPHHTRDQ-QWHCGFSZSA-N 0 1 375.420 2.687 20 0 GFADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Br)c1F ZINC000278360753 563251381 /nfs/dbraw/zinc/25/13/81/563251381.db2.gz IWBHKMPXOUREPN-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN Cc1ccc(I)c(C(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000295521053 563251881 /nfs/dbraw/zinc/25/18/81/563251881.db2.gz UWWKBFJTQABLTI-UHFFFAOYSA-N 0 1 382.205 2.525 20 0 GFADMN O=C(CCc1cccc(Br)c1)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000370755960 563253876 /nfs/dbraw/zinc/25/38/76/563253876.db2.gz CNZVUKLEPDNWFG-WMZOPIPTSA-N 0 1 395.341 2.999 20 0 GFADMN COc1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)c1 ZINC000370758663 563253976 /nfs/dbraw/zinc/25/39/76/563253976.db2.gz LCTYCUMRAIDYHO-SUMWQHHRSA-N 0 1 397.313 2.688 20 0 GFADMN O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1Br ZINC000370761138 563254712 /nfs/dbraw/zinc/25/47/12/563254712.db2.gz VFKQNRFDHXRDQR-MLGOLLRUSA-N 0 1 385.277 2.819 20 0 GFADMN O=C([N-][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]cc2Cl)CC1)C(F)(F)F ZINC000295700611 563258687 /nfs/dbraw/zinc/25/86/87/563258687.db2.gz JDABPYYUNQGXFH-OCCSQVGLSA-N 0 1 377.794 2.787 20 0 GFADMN Cn1cc([C@H]2[C@H](CNC(=O)c3cccc(Br)c3)CCCN2C)cn1 ZINC000370917824 563259876 /nfs/dbraw/zinc/25/98/76/563259876.db2.gz PCKJIVUIBARGSB-WMLDXEAASA-N 0 1 391.313 2.996 20 0 GFADMN Cc1n[nH]c(C(=O)NCc2c(Br)cncc2Br)c1C ZINC000295751773 563260852 /nfs/dbraw/zinc/26/08/52/563260852.db2.gz OEEXEBKGNSNSPY-UHFFFAOYSA-N 0 1 388.063 2.877 20 0 GFADMN O=C(N[C@@H]1CCO[C@H]1C1CCN(Cc2csc(Cl)n2)CC1)C(F)(F)F ZINC000295950515 563269032 /nfs/dbraw/zinc/26/90/32/563269032.db2.gz JFOZFADZSNRXLX-NEPJUHHUSA-N 0 1 397.850 2.845 20 0 GFADMN CO[C@H](CC(C)C)CS(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000420661927 563270769 /nfs/dbraw/zinc/27/07/69/563270769.db2.gz IPCNVMZKMHJBJL-IAGOWNOFSA-N 0 1 388.599 2.941 20 0 GFADMN O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000371268368 563270899 /nfs/dbraw/zinc/27/08/99/563270899.db2.gz JNXIUGXWAPAKJH-ZLIFDBKOSA-N 0 1 387.307 2.644 20 0 GFADMN CCc1n[nH]c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1Br ZINC000278915410 563276210 /nfs/dbraw/zinc/27/62/10/563276210.db2.gz AQVIRFMEYAIZON-UHFFFAOYSA-N 0 1 380.221 2.723 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000296223974 563279300 /nfs/dbraw/zinc/27/93/00/563279300.db2.gz KGSYOYXDCWFCRH-YOEHRIQHSA-N 0 1 379.551 2.576 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000296223974 563279304 /nfs/dbraw/zinc/27/93/04/563279304.db2.gz KGSYOYXDCWFCRH-YOEHRIQHSA-N 0 1 379.551 2.576 20 0 GFADMN C[C@H]1CN(C(=O)c2nc(C3CC3)ncc2Br)CCN(C2CC2)C1 ZINC000296255346 563280989 /nfs/dbraw/zinc/28/09/89/563280989.db2.gz LILZNUZMZMAHPE-LLVKDONJSA-N 0 1 379.302 2.673 20 0 GFADMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000371574076 563281385 /nfs/dbraw/zinc/28/13/85/563281385.db2.gz KPVWTHUMFCDGEB-ZJUUUORDSA-N 0 1 391.254 2.828 20 0 GFADMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000371574073 563281515 /nfs/dbraw/zinc/28/15/15/563281515.db2.gz KPVWTHUMFCDGEB-NXEZZACHSA-N 0 1 391.254 2.828 20 0 GFADMN Cc1nn(C)c(CNC[C@@H](c2cccs2)N2CCOCC2)c1Br ZINC000279054957 563282008 /nfs/dbraw/zinc/28/20/08/563282008.db2.gz DTXPSUDPCLVDLM-ZDUSSCGKSA-N 0 1 399.358 2.716 20 0 GFADMN Cc1cc(I)ccc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296470320 563288676 /nfs/dbraw/zinc/28/86/76/563288676.db2.gz ZTFYQWGAXZCEMD-UHFFFAOYSA-N 0 1 397.220 2.917 20 0 GFADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)COCCOC ZINC000296489139 563289248 /nfs/dbraw/zinc/28/92/48/563289248.db2.gz KZWIDHMAYMCPOS-AWEZNQCLSA-N 0 1 393.311 2.668 20 0 GFADMN CS(=O)(=O)CC[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1 ZINC000279248886 563289323 /nfs/dbraw/zinc/28/93/23/563289323.db2.gz HXRNYHAXHDVDEJ-LLVKDONJSA-N 0 1 375.372 2.586 20 0 GFADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)cn1 ZINC000279606492 563302820 /nfs/dbraw/zinc/30/28/20/563302820.db2.gz IYLJLWSTGZDCLZ-MCIONIFRSA-N 0 1 399.333 2.704 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000296868438 563305515 /nfs/dbraw/zinc/30/55/15/563305515.db2.gz ZKVQMFZWLZWIMV-UHFFFAOYSA-N 0 1 385.530 2.527 20 0 GFADMN NC(=O)[C@H](NC1CCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000279713824 563307389 /nfs/dbraw/zinc/30/73/89/563307389.db2.gz SYKSBBLBTVJWSA-CQSZACIVSA-N 0 1 395.326 2.691 20 0 GFADMN COC[C@H]1CN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000372516286 563309092 /nfs/dbraw/zinc/30/90/92/563309092.db2.gz XKEFMPRDPOSHOG-UKRRQHHQSA-N 0 1 386.945 2.876 20 0 GFADMN O=C(NCCN1CCC(O)CC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000297107089 563316350 /nfs/dbraw/zinc/31/63/50/563316350.db2.gz XTHGQKXQMBDKKL-UHFFFAOYSA-N 0 1 395.219 2.654 20 0 GFADMN C[C@H](NCCNc1ccccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279986858 563317750 /nfs/dbraw/zinc/31/77/50/563317750.db2.gz DZSRMFZWKLIUBM-JTQLQIEISA-N 0 1 389.308 2.799 20 0 GFADMN Cc1csc(C(=O)N2CCCN(CC(C)(C)O)CC2)c1Br ZINC000372849486 563319571 /nfs/dbraw/zinc/31/95/71/563319571.db2.gz WTEDDZVSEJDBRK-UHFFFAOYSA-N 0 1 375.332 2.738 20 0 GFADMN C[C@@H](Cn1ccnc1)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038531 563319846 /nfs/dbraw/zinc/31/98/46/563319846.db2.gz IRPCJMUBFJLVSN-UWVGGRQHSA-N 0 1 377.297 2.577 20 0 GFADMN CN(C)c1ccncc1C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297237502 563320745 /nfs/dbraw/zinc/32/07/45/563320745.db2.gz SAODPLBXVMDKAX-INIZCTEOSA-N 0 1 378.270 2.716 20 0 GFADMN O=S(=O)(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(Br)s1 ZINC000372876819 563320952 /nfs/dbraw/zinc/32/09/52/563320952.db2.gz JGKUVTUYZLDZKQ-GFCCVEGCSA-N 0 1 399.295 2.697 20 0 GFADMN O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000372885286 563321477 /nfs/dbraw/zinc/32/14/77/563321477.db2.gz SMCVTLNYIWLABX-LLVKDONJSA-N 0 1 388.269 2.997 20 0 GFADMN COc1cccc(CSC[C@H]([NH2+]Cc2nn(C)c(C)c2Cl)C(=O)[O-])c1 ZINC000421816002 563322557 /nfs/dbraw/zinc/32/25/57/563322557.db2.gz OKNRCHOHVBLCSC-HNNXBMFYSA-N 0 1 383.901 2.867 20 0 GFADMN COc1cc(Cl)ccc1[C@@H](C)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000421851545 563323332 /nfs/dbraw/zinc/32/33/32/563323332.db2.gz GLHBNEUDLLHPRY-UKRRQHHQSA-N 0 1 389.949 2.660 20 0 GFADMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000297594365 563330412 /nfs/dbraw/zinc/33/04/12/563330412.db2.gz FJXDYNDMCCRYBL-CHWSQXEVSA-N 0 1 379.873 2.778 20 0 GFADMN CC(C)c1n[nH]c(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1Br ZINC000373348489 563335318 /nfs/dbraw/zinc/33/53/18/563335318.db2.gz ZMQBLVOUFBFZQX-LBPRGKRZSA-N 0 1 399.333 2.621 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2nccn2CC)s1 ZINC000297834191 563337811 /nfs/dbraw/zinc/33/78/11/563337811.db2.gz SALNLUFMTNUPBF-CQSZACIVSA-N 0 1 384.571 2.888 20 0 GFADMN CCCN(C(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298088049 563344892 /nfs/dbraw/zinc/34/48/92/563344892.db2.gz QLRLUBKQRMWQLM-JKIFEVAISA-N 0 1 386.945 2.805 20 0 GFADMN CN(C)CCCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000298107971 563344903 /nfs/dbraw/zinc/34/49/03/563344903.db2.gz OILMFMQDTCOFKJ-CYBMUJFWSA-N 0 1 393.336 2.574 20 0 GFADMN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCCCc1nc[nH]n1 ZINC000298182765 563347088 /nfs/dbraw/zinc/34/70/88/563347088.db2.gz SRLGXZUQZFVLFQ-UHFFFAOYSA-N 0 1 381.889 2.646 20 0 GFADMN CN1CCC[C@@H]1C(=O)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280708777 563350750 /nfs/dbraw/zinc/35/07/50/563350750.db2.gz XTZZWOVPQRWMHO-CHWSQXEVSA-N 0 1 395.219 2.712 20 0 GFADMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000373793154 563351406 /nfs/dbraw/zinc/35/14/06/563351406.db2.gz SEPXSGJIQCOPSW-CYBMUJFWSA-N 0 1 382.917 2.577 20 0 GFADMN CN(C)c1ccncc1C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298432231 563355503 /nfs/dbraw/zinc/35/55/03/563355503.db2.gz RPUWAUSBJTYRRJ-INIZCTEOSA-N 0 1 378.270 2.716 20 0 GFADMN C[N@H+]1C[C@@H]2CN(C(=O)CSc3n[n-]c(=S)s3)C[C@H]2[C@@H]1c1ccccc1 ZINC000374067154 563360039 /nfs/dbraw/zinc/36/00/39/563360039.db2.gz KPBKYHJMTUUSOE-NFAWXSAZSA-N 0 1 392.575 2.680 20 0 GFADMN O=C(C[C@H]1CCCCC(=O)N1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000374173573 563363949 /nfs/dbraw/zinc/36/39/49/563363949.db2.gz HPZOOJASMPSJMM-GFCCVEGCSA-N 0 1 392.257 2.622 20 0 GFADMN C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000424258868 563374992 /nfs/dbraw/zinc/37/49/92/563374992.db2.gz CKSYXOLDUHQMRL-YGRLFVJLSA-N 0 1 380.293 2.952 20 0 GFADMN C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000424258868 563374996 /nfs/dbraw/zinc/37/49/96/563374996.db2.gz CKSYXOLDUHQMRL-YGRLFVJLSA-N 0 1 380.293 2.952 20 0 GFADMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(C2(N)CCCCC2)no1 ZINC000424332008 563375947 /nfs/dbraw/zinc/37/59/47/563375947.db2.gz BNWFMGKBWFNSAS-NSHDSACASA-N 0 1 384.889 2.881 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnc(OC)c(Br)c2)n[nH]1 ZINC000424797824 563391966 /nfs/dbraw/zinc/39/19/66/563391966.db2.gz FJUYXQAOGDROHO-BDAKNGLRSA-N 0 1 382.262 2.975 20 0 GFADMN COc1cncc(S(=O)(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1 ZINC000281999386 563393627 /nfs/dbraw/zinc/39/36/27/563393627.db2.gz NLWGLAPOTIGUEX-DEOSSOPVSA-N 0 1 382.507 2.938 20 0 GFADMN CC(C)C(=O)N1CCC(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000282015872 563394529 /nfs/dbraw/zinc/39/45/29/563394529.db2.gz JYMPRAFJYKBWQQ-UHFFFAOYSA-N 0 1 393.285 2.702 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000424988664 563400186 /nfs/dbraw/zinc/40/01/86/563400186.db2.gz GIHIANCOIPHEKF-UHFFFAOYSA-N 0 1 375.332 2.622 20 0 GFADMN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3cnn(C)c3)s2)NC(=S)N1 ZINC000282186683 563400861 /nfs/dbraw/zinc/40/08/61/563400861.db2.gz KCLLGUPUGSBNEL-OAHLLOKOSA-N 0 1 376.507 2.893 20 0 GFADMN CC(C)CCS(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000375351746 563401214 /nfs/dbraw/zinc/40/12/14/563401214.db2.gz FQHGGBATLFNRTR-ZDUSSCGKSA-N 0 1 376.404 2.878 20 0 GFADMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ncc(Br)cn1 ZINC000301405243 563402219 /nfs/dbraw/zinc/40/22/19/563402219.db2.gz UCIDLUOTCJEJJE-CQSZACIVSA-N 0 1 376.302 2.862 20 0 GFADMN CC(C)(C)NC(=O)CN1CCC(CNc2cncc(Br)c2)CC1 ZINC000301507854 563405760 /nfs/dbraw/zinc/40/57/60/563405760.db2.gz AKAIYFBXPOUFMY-UHFFFAOYSA-N 0 1 383.334 2.883 20 0 GFADMN CC1CCN([C@H](CNS(=O)(=O)CCOCC2CC2)c2cccs2)CC1 ZINC000425147502 563406048 /nfs/dbraw/zinc/40/60/48/563406048.db2.gz ROQKNTXWDSCKGZ-QGZVFWFLSA-N 0 1 386.583 2.867 20 0 GFADMN CNC(=O)[C@H]1CCC[C@@H]1Nc1ccnc2cc(OC)c(Br)cc21 ZINC000425244786 563414340 /nfs/dbraw/zinc/41/43/40/563414340.db2.gz HWYFUPUFRGBXBI-GWCFXTLKSA-N 0 1 378.270 2.754 20 0 GFADMN CCOCCOc1ccc(Br)cc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356528 563418958 /nfs/dbraw/zinc/41/89/58/563418958.db2.gz NTZXTJGGPGPEPI-CYBMUJFWSA-N 0 1 395.301 2.972 20 0 GFADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1COc2ccc(Br)cc21 ZINC000375824321 563420007 /nfs/dbraw/zinc/42/00/07/563420007.db2.gz NDDBFNKAEYIJLZ-GDBMZVCRSA-N 0 1 399.248 2.949 20 0 GFADMN COCC(C)(C)N1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000425507294 563425620 /nfs/dbraw/zinc/42/56/20/563425620.db2.gz MDMXNLMDCVPVJU-AWEZNQCLSA-N 0 1 398.345 2.819 20 0 GFADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000282850138 563427095 /nfs/dbraw/zinc/42/70/95/563427095.db2.gz BRVHVLOVGZUTNT-HWPZZCPQSA-N 0 1 383.279 2.983 20 0 GFADMN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282927028 563429560 /nfs/dbraw/zinc/42/95/60/563429560.db2.gz YDXITRMBIQDZAH-JQWIXIFHSA-N 0 1 393.285 2.702 20 0 GFADMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000425670433 563430556 /nfs/dbraw/zinc/43/05/56/563430556.db2.gz FUFVRWHZKGQNLA-CYBMUJFWSA-N 0 1 380.290 2.901 20 0 GFADMN Cc1cc([C@H]2CCCN(C(=O)c3cc(I)c[nH]3)C2)n[nH]1 ZINC000283195144 563438275 /nfs/dbraw/zinc/43/82/75/563438275.db2.gz MJBGAKVSMKJQAK-JTQLQIEISA-N 0 1 384.221 2.671 20 0 GFADMN O=C([C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1)N1CCCC1 ZINC000376508983 563444528 /nfs/dbraw/zinc/44/45/28/563444528.db2.gz YRNYKHPTSKIXIH-GFCCVEGCSA-N 0 1 377.286 2.770 20 0 GFADMN Cc1cc(N2CCC[C@H](N3CC[C@@H](O)[C@@H](C)C3)C2=O)ccc1Br ZINC000426135626 563444993 /nfs/dbraw/zinc/44/49/93/563444993.db2.gz HFDUUAKGRAGHFA-RRQGHBQHSA-N 0 1 381.314 2.956 20 0 GFADMN O=C(Nc1ncc(C(F)(F)F)s1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283608295 563449168 /nfs/dbraw/zinc/44/91/68/563449168.db2.gz NIGPGFUKZWPZLE-NSHDSACASA-N 0 1 378.420 2.738 20 0 GFADMN CCOC(=O)CSc1nnc(NC(=O)c2cccc3nc(C)[nH]c32)s1 ZINC000283615343 563449503 /nfs/dbraw/zinc/44/95/03/563449503.db2.gz ZSXOCOHPMMAETI-UHFFFAOYSA-N 0 1 377.451 2.630 20 0 GFADMN C[C@](O)(Cc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1)C1CC1 ZINC000283771954 563453911 /nfs/dbraw/zinc/45/39/11/563453911.db2.gz DBMUCRRIVDKCEU-INIZCTEOSA-N 0 1 390.241 2.988 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000326722769 563455993 /nfs/dbraw/zinc/45/59/93/563455993.db2.gz CUPBILMQWREUOR-INIZCTEOSA-N 0 1 375.252 2.745 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@H]1N(C)C ZINC000328672128 563462600 /nfs/dbraw/zinc/46/26/00/563462600.db2.gz NWZIEOLNYYHNDG-HZPDHXFCSA-N 0 1 397.591 2.785 20 0 GFADMN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000427303492 563465431 /nfs/dbraw/zinc/46/54/31/563465431.db2.gz APNXUGOIFQQOAT-UHFFFAOYSA-N 0 1 385.825 2.779 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2)n1 ZINC000328828376 563466412 /nfs/dbraw/zinc/46/64/12/563466412.db2.gz QQKWVTYCKFXUBW-GOEBONIOSA-N 0 1 377.535 2.976 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCCN4C[C@@H]3C)c2)n1 ZINC000328828376 563466413 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CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C[C@@H]1C ZINC000332540911 563603383 /nfs/dbraw/zinc/60/33/83/563603383.db2.gz XOLCWWIMOJHUDF-ZUZCIYMTSA-N 0 1 379.254 2.788 20 0 GFADMN COCCN(CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCSC1 ZINC000433197128 563606100 /nfs/dbraw/zinc/60/61/00/563606100.db2.gz PVJRWAHBRZZBOZ-MRXNPFEDSA-N 0 1 387.567 2.703 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCN1C ZINC000332697618 563612310 /nfs/dbraw/zinc/61/23/10/563612310.db2.gz WGQUVKWZFAYBBC-CHWSQXEVSA-N 0 1 392.301 3.191 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)n[nH]1 ZINC000287729115 563615102 /nfs/dbraw/zinc/61/51/02/563615102.db2.gz TTYFKARPKVBRBF-MWLCHTKSSA-N 0 1 383.279 2.950 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000333304763 563627209 /nfs/dbraw/zinc/62/72/09/563627209.db2.gz IDPHYMXBNDJVHA-NWDGAFQWSA-N 0 1 391.265 2.789 20 0 GFADMN O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N1CCCOc1ccc(Cl)cc1Cl ZINC000288162818 563631371 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Cc1nc(Cl)ccc1CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292571854 563790707 /nfs/dbraw/zinc/79/07/07/563790707.db2.gz OOMHDUTZRABHJH-ZYHUDNBSSA-N 0 1 377.794 2.644 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443083010 563791071 /nfs/dbraw/zinc/79/10/71/563791071.db2.gz CDWGVXWAOZXGNC-AWEZNQCLSA-N 0 1 388.917 2.669 20 0 GFADMN Cc1cc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ncn1 ZINC000292607681 563791526 /nfs/dbraw/zinc/79/15/26/563791526.db2.gz WQINJFHXUCELKY-UHFFFAOYSA-N 0 1 390.285 2.793 20 0 GFADMN CC[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)c1ncc[nH]1 ZINC000443115693 563792488 /nfs/dbraw/zinc/79/24/88/563792488.db2.gz IUAOXDINVIEYQQ-JTQLQIEISA-N 0 1 395.204 2.772 20 0 GFADMN CCc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C)nc3)C2)c1Br ZINC000366068136 563798383 /nfs/dbraw/zinc/79/83/83/563798383.db2.gz XXQFDIJNJPRUBG-LBPRGKRZSA-N 0 1 379.258 2.732 20 0 GFADMN COC(=O)c1ccc(OCCN2CCN([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000366072338 563798498 /nfs/dbraw/zinc/79/84/98/563798498.db2.gz JHQMUBFTXKJJGD-HNNXBMFYSA-N 0 1 384.929 2.629 20 0 GFADMN C[C@@H](NCC(=O)NCC(=O)OC(C)(C)C)c1ccc(Br)s1 ZINC000443346401 563802152 /nfs/dbraw/zinc/80/21/52/563802152.db2.gz VKCYPHQCNPKGPZ-SECBINFHSA-N 0 1 377.304 2.619 20 0 GFADMN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000366354389 563806168 /nfs/dbraw/zinc/80/61/68/563806168.db2.gz MFBBJKCIVZLOMH-LBPRGKRZSA-N 0 1 384.889 2.749 20 0 GFADMN CO[C@H](CC(C)C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000416149748 563807184 /nfs/dbraw/zinc/80/71/84/563807184.db2.gz XYVUGOYPJONIEH-CYBMUJFWSA-N 0 1 381.274 2.912 20 0 GFADMN CO[C@H](CC(C)C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000416149748 563807187 /nfs/dbraw/zinc/80/71/87/563807187.db2.gz XYVUGOYPJONIEH-CYBMUJFWSA-N 0 1 381.274 2.912 20 0 GFADMN CCC[C@H](NC(=O)Cc1cc(Cl)c(Br)cc1F)c1nn[nH]n1 ZINC000416197068 563808972 /nfs/dbraw/zinc/80/89/72/563808972.db2.gz VRBBTOKLWZMFKN-NSHDSACASA-N 0 1 390.644 2.955 20 0 GFADMN Cc1nnc(SCCC(=O)N2CCN(C)[C@H](c3ccccc3Cl)C2)[nH]1 ZINC000366468754 563809681 /nfs/dbraw/zinc/80/96/81/563809681.db2.gz FLTXXDODGUACKL-HNNXBMFYSA-N 0 1 379.917 2.764 20 0 GFADMN Cn1cc(Br)c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000293387097 563810719 /nfs/dbraw/zinc/81/07/19/563810719.db2.gz QCIMHOVENGJFAJ-HNNXBMFYSA-N 0 1 391.313 2.967 20 0 GFADMN Cc1cc(C)n(CCCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)n1 ZINC000293413125 563811506 /nfs/dbraw/zinc/81/15/06/563811506.db2.gz NINRLMIEXOHLDD-KRWDZBQOSA-N 0 1 379.302 2.643 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCCOc1cccc(Br)c1 ZINC000416290388 563814088 /nfs/dbraw/zinc/81/40/88/563814088.db2.gz GQINHJQMGQKRQQ-LSDHHAIUSA-N 0 1 399.329 2.522 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1Cl ZINC000416375262 563819360 /nfs/dbraw/zinc/81/93/60/563819360.db2.gz RLLQKOSVAQBIOH-STQMWFEESA-N 0 1 390.933 2.756 20 0 GFADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000416384136 563821414 /nfs/dbraw/zinc/82/14/14/563821414.db2.gz HBLJDFCRDFQKDP-BETUJISGSA-N 0 1 388.917 2.668 20 0 GFADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000444109147 563821889 /nfs/dbraw/zinc/82/18/89/563821889.db2.gz ZFXUDSAGXACTIG-NSHDSACASA-N 0 1 390.347 2.670 20 0 GFADMN C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@H]1CCCOC1 ZINC000444342926 563829098 /nfs/dbraw/zinc/82/90/98/563829098.db2.gz NLJJRBRXSJRKQY-MNOVXSKESA-N 0 1 379.254 2.836 20 0 GFADMN O=C(COc1ccccc1Br)N1CCC(C2N=NC(=S)O2)CC1 ZINC000367044818 563829340 /nfs/dbraw/zinc/82/93/40/563829340.db2.gz HVZQMTYHHNSLIS-UHFFFAOYSA-N 0 1 398.282 2.906 20 0 GFADMN O=C(N[C@H]1CCC[C@H]1CCO)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444354785 563829552 /nfs/dbraw/zinc/82/95/52/563829552.db2.gz VUHALFSTKIWQFR-HZMBPMFUSA-N 0 1 379.254 2.572 20 0 GFADMN Cc1cc(C)c(Br)c(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000444547732 563833176 /nfs/dbraw/zinc/83/31/76/563833176.db2.gz JMDDUZGEKVBAGM-CQSZACIVSA-N 0 1 383.330 2.983 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1Cl ZINC000416488802 563837049 /nfs/dbraw/zinc/83/70/49/563837049.db2.gz PPRXFYDFLILHDH-OLZOCXBDSA-N 0 1 388.917 2.605 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416490211 563837843 /nfs/dbraw/zinc/83/78/43/563837843.db2.gz USIHYWBQBHHXCW-UHFFFAOYSA-N 0 1 390.933 2.854 20 0 GFADMN O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367452880 563845266 /nfs/dbraw/zinc/84/52/66/563845266.db2.gz WVFYLQQBZZUNNR-SJLPKXTDSA-N 0 1 394.313 2.522 20 0 GFADMN C[C@@](CO)(NCc1ccc2c(c1)NC(=O)CO2)c1ccc(Br)cc1 ZINC000294534701 563845742 /nfs/dbraw/zinc/84/57/42/563845742.db2.gz DHQBMGDFHXXQBN-SFHVURJKSA-N 0 1 391.265 2.777 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](CC(N)=O)C1 ZINC000367981387 563861034 /nfs/dbraw/zinc/86/10/34/563861034.db2.gz AAKIPNFKKGZSHK-VHSXEESVSA-N 0 1 377.794 2.883 20 0 GFADMN CS(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000368079042 563863210 /nfs/dbraw/zinc/86/32/10/563863210.db2.gz MWMOVUYZSGQVEL-CHWSQXEVSA-N 0 1 383.901 2.651 20 0 GFADMN COc1cc(CN2CC[C@H](CC(N)=O)C2)cc(Br)c1OC(F)F 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COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000447264639 563878415 /nfs/dbraw/zinc/87/84/15/563878415.db2.gz CGGXTNMFXMJMIR-UHFFFAOYSA-N 0 1 389.882 2.694 20 0 GFADMN C[C@@](N)(C(=O)NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000447434160 563881645 /nfs/dbraw/zinc/88/16/45/563881645.db2.gz DXKAKNCXMPOSGB-SFHVURJKSA-N 0 1 391.265 2.711 20 0 GFADMN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368959598 563882937 /nfs/dbraw/zinc/88/29/37/563882937.db2.gz XDJAMHPGHNTCNM-STQMWFEESA-N 0 1 375.296 2.676 20 0 GFADMN O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cncc(Br)c1 ZINC000369160119 563888250 /nfs/dbraw/zinc/88/82/50/563888250.db2.gz GOEZHPQVSIXBOT-HNNXBMFYSA-N 0 1 389.297 2.881 20 0 GFADMN Cc1cccc(CNC(=O)CN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000369192102 563889685 /nfs/dbraw/zinc/88/96/85/563889685.db2.gz NXBWBIVMOWUNFX-UHFFFAOYSA-N 0 1 391.313 2.907 20 0 GFADMN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccccc1Br ZINC000447942422 563891647 /nfs/dbraw/zinc/89/16/47/563891647.db2.gz UTTSXABLGRAACF-AWEZNQCLSA-N 0 1 375.332 2.848 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)C1 ZINC000448932421 563903377 /nfs/dbraw/zinc/90/33/77/563903377.db2.gz IUCBQEZCHHRAEQ-JTQLQIEISA-N 0 1 384.249 2.520 20 0 GFADMN CS(=O)(=O)N1CCC[C@@H](NCc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449097298 563907074 /nfs/dbraw/zinc/90/70/74/563907074.db2.gz CYIIQBIFEVJIAP-LLVKDONJSA-N 0 1 387.477 2.602 20 0 GFADMN O=C1[C@@H](N[C@@H]2CCc3c2ccc(F)c3Br)CCN1C1CCOCC1 ZINC000449176988 563907918 /nfs/dbraw/zinc/90/79/18/563907918.db2.gz OBHRPJFHFORPIZ-CVEARBPZSA-N 0 1 397.288 2.945 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cccc(Br)c1F ZINC000449248707 564178124 /nfs/dbraw/zinc/17/81/24/564178124.db2.gz JVLXJAMYDRXDPI-QWHCGFSZSA-N 0 1 379.295 2.538 20 0 GFADMN COc1nccc(CN[C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000449374167 564181675 /nfs/dbraw/zinc/18/16/75/564181675.db2.gz XQTOTFVJDRUJKB-LLVKDONJSA-N 0 1 379.258 2.755 20 0 GFADMN COc1sc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Br ZINC000449432317 564185771 /nfs/dbraw/zinc/18/57/71/564185771.db2.gz GTSZPJIBQNXYTG-GYSYKLTISA-N 0 1 376.316 2.881 20 0 GFADMN O=C(N[C@@H](CO)c1ccsc1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000505639074 564186756 /nfs/dbraw/zinc/18/67/56/564186756.db2.gz YAURVMZDKIILJD-AWEZNQCLSA-N 0 1 393.262 2.816 20 0 GFADMN CC[C@H](CNS(C)(=O)=O)NCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000449443539 564186933 /nfs/dbraw/zinc/18/69/33/564186933.db2.gz STHVIGJHGYMQGO-OAHLLOKOSA-N 0 1 384.933 2.560 20 0 GFADMN C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)N1CC(C)C1 ZINC000563391293 564189597 /nfs/dbraw/zinc/18/95/97/564189597.db2.gz NRWZFGPINKJYCS-MLGOLLRUSA-N 0 1 385.277 2.828 20 0 GFADMN Cn1cc(-c2[nH]ncc2C(=O)NCc2cc(Br)ccc2F)cn1 ZINC000506148886 564197090 /nfs/dbraw/zinc/19/70/90/564197090.db2.gz OWUCRPCKAJIHHI-UHFFFAOYSA-N 0 1 378.205 2.642 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000538742235 564199679 /nfs/dbraw/zinc/19/96/79/564199679.db2.gz ZAVYIYSUIMDHGQ-HNNXBMFYSA-N 0 1 389.249 2.858 20 0 GFADMN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccsc2)ccc1C ZINC000506554638 564204673 /nfs/dbraw/zinc/20/46/73/564204673.db2.gz KIEBUEPGORLCTR-UHFFFAOYSA-N 0 1 388.536 2.888 20 0 GFADMN COc1ccnc(N2CCN(C(=O)c3ccsc3Br)CC2)c1 ZINC000449840867 564205949 /nfs/dbraw/zinc/20/59/49/564205949.db2.gz IWOXOENIGDJVGB-UHFFFAOYSA-N 0 1 382.283 2.877 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)nc2)c1C ZINC000506688315 564209243 /nfs/dbraw/zinc/20/92/43/564209243.db2.gz PFCDFJBHVYLNFR-UHFFFAOYSA-N 0 1 383.495 2.651 20 0 GFADMN Cc1nc(NS(=O)(=O)CCc2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000506845472 564212719 /nfs/dbraw/zinc/21/27/19/564212719.db2.gz DZRNHBDNRPHCED-UHFFFAOYSA-N 0 1 376.869 2.635 20 0 GFADMN Cc1cc(Br)cc2c1CN(C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000539327625 564216476 /nfs/dbraw/zinc/21/64/76/564216476.db2.gz AWLDXRPBVDYDRU-DAYGRLMNSA-N 0 1 397.357 2.586 20 0 GFADMN Cc1nc(C)c(S(=O)(=O)Nc2cc(F)c(N3CCOCC3)cc2F)s1 ZINC000507649141 564237064 /nfs/dbraw/zinc/23/70/64/564237064.db2.gz 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COc1ccc(Br)c(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000487276987 564680624 /nfs/dbraw/zinc/68/06/24/564680624.db2.gz JXLOQSJPPPKEKS-SNVBAGLBSA-N 0 1 381.274 2.920 20 0 GFADMN O=C(CO)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000524475695 564682843 /nfs/dbraw/zinc/68/28/43/564682843.db2.gz CMGIBKFVFWKYDH-UHFFFAOYSA-N 0 1 375.233 2.725 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)c2cc3c(c(Br)c2)OCO3)n[nH]1 ZINC000458029314 564684542 /nfs/dbraw/zinc/68/45/42/564684542.db2.gz UKTRSVYBTZTSOH-UHFFFAOYSA-N 0 1 381.230 2.523 20 0 GFADMN CCOc1ccccc1NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000524672901 564685280 /nfs/dbraw/zinc/68/52/80/564685280.db2.gz VAMHEIFFIYOMJV-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN CS(=O)(=O)N1CC[C@H](N[C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130070 564692484 /nfs/dbraw/zinc/69/24/84/564692484.db2.gz JIRXQQCPCOAISL-SWLSCSKDSA-N 0 1 391.306 2.663 20 0 GFADMN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1ccc2cncn2c1 ZINC000552518732 564694114 /nfs/dbraw/zinc/69/41/14/564694114.db2.gz 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/nfs/dbraw/zinc/72/67/42/564726742.db2.gz MSWJFWFFCDWSMS-CYBMUJFWSA-N 0 1 378.274 2.583 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)C[C@@H]1C ZINC000458984569 564727647 /nfs/dbraw/zinc/72/76/47/564727647.db2.gz VMFFPJSIFYEPDG-CGXNLCPXSA-N 0 1 396.329 2.559 20 0 GFADMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489135183 564731355 /nfs/dbraw/zinc/73/13/55/564731355.db2.gz VXWFLTQQHAYFEN-LLVKDONJSA-N 0 1 384.395 2.877 20 0 GFADMN CO[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC[C@H]1C ZINC000459203885 564736644 /nfs/dbraw/zinc/73/66/44/564736644.db2.gz JKVIFFJIGZJRDH-ZWNOBZJWSA-N 0 1 381.274 2.892 20 0 GFADMN CC(C)(O)[C@@H]1CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459227498 564737724 /nfs/dbraw/zinc/73/77/24/564737724.db2.gz YYQLMUPPXDLTSR-LBPRGKRZSA-N 0 1 381.274 2.770 20 0 GFADMN CCN1C[C@H](C)N(C(=O)NCc2nc3c(cccc3Br)[nH]2)C[C@@H]1C ZINC000459226456 564737819 /nfs/dbraw/zinc/73/78/19/564737819.db2.gz YLANLZDYFANUOF-RYUDHWBXSA-N 0 1 394.317 2.950 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)n[nH]1 ZINC000459269296 564738408 /nfs/dbraw/zinc/73/84/08/564738408.db2.gz XCNNIGCRMFSTFO-LLVKDONJSA-N 0 1 386.283 2.942 20 0 GFADMN CCOCCN1CCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459310915 564738733 /nfs/dbraw/zinc/73/87/33/564738733.db2.gz MTFJXWGTQSTTSY-UHFFFAOYSA-N 0 1 387.318 2.708 20 0 GFADMN O[C@H](COc1ccc(Cl)cc1Br)CN1CC2(C1)CCCOC2 ZINC000489419469 564738940 /nfs/dbraw/zinc/73/89/40/564738940.db2.gz WDSWWBLCRSYATJ-ZDUSSCGKSA-N 0 1 390.705 2.955 20 0 GFADMN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)s1 ZINC000578167270 564742349 /nfs/dbraw/zinc/74/23/49/564742349.db2.gz IWSRLNZKSNLGLV-UHFFFAOYSA-N 0 1 381.357 2.643 20 0 GFADMN CC(=O)Nc1ncc(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)s1 ZINC000553890349 564743278 /nfs/dbraw/zinc/74/32/78/564743278.db2.gz RIJUVTGKQMIRQK-UHFFFAOYSA-N 0 1 395.840 2.825 20 0 GFADMN CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000579346856 564747251 /nfs/dbraw/zinc/74/72/51/564747251.db2.gz UYKVGZVTYNFBAJ-JTQLQIEISA-N 0 1 380.246 2.987 20 0 GFADMN Ic1cccc2ncnc(N[C@@H]3CCc4[nH]cnc4C3)c12 ZINC000579658535 564750574 /nfs/dbraw/zinc/75/05/74/564750574.db2.gz WBYNIXFREQUFPP-SECBINFHSA-N 0 1 391.216 2.927 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)n[nH]1 ZINC000489753459 564751883 /nfs/dbraw/zinc/75/18/83/564751883.db2.gz AAKXXODLKKWPMA-RFAUZJTJSA-N 0 1 399.264 2.584 20 0 GFADMN COc1cc(CN[C@H]2COC[C@H]2OC)cc(Br)c1OC(F)F ZINC000459748634 564760067 /nfs/dbraw/zinc/76/00/67/564760067.db2.gz FIWAFIOOVKKCET-CMPLNLGQSA-N 0 1 382.201 2.563 20 0 GFADMN COc1ccc(CN2CC[C@@H]2CNCc2c(Br)cnn2C)cc1 ZINC000527776029 564760402 /nfs/dbraw/zinc/76/04/02/564760402.db2.gz XNVKRLQVEKDBFL-CQSZACIVSA-N 0 1 379.302 2.555 20 0 GFADMN CC(C)CN(C(=O)CN[C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459787219 564760953 /nfs/dbraw/zinc/76/09/53/564760953.db2.gz OUARTOMFFLZFAZ-PBHICJAKSA-N 0 1 386.945 2.662 20 0 GFADMN C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000527938120 564765260 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O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000580934015 564780502 /nfs/dbraw/zinc/78/05/02/564780502.db2.gz ZNDBSKHUJCHLIQ-HUUCEWRRSA-N 0 1 377.384 2.743 20 0 GFADMN C[C@](O)(C(=O)Nc1cc(Cl)cc(Br)c1O)C1CCOCC1 ZINC000490840406 564782371 /nfs/dbraw/zinc/78/23/71/564782371.db2.gz HADTWBJQTBNVFQ-CQSZACIVSA-N 0 1 378.650 2.924 20 0 GFADMN CCCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000580974940 564782522 /nfs/dbraw/zinc/78/25/22/564782522.db2.gz RXOIIEMQRYNIPI-UHFFFAOYSA-N 0 1 388.555 2.811 20 0 GFADMN C[C@@H](CNC(=O)CN(C)[C@@H]1CCSC1)Oc1ccc(Br)cc1 ZINC000491060020 564785084 /nfs/dbraw/zinc/78/50/84/564785084.db2.gz VBFREVASVQDUNE-GXTWGEPZSA-N 0 1 387.343 2.770 20 0 GFADMN Cc1cccc(Br)c1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000581045102 564785177 /nfs/dbraw/zinc/78/51/77/564785177.db2.gz ZTMXVXWDDXEJHX-UHFFFAOYSA-N 0 1 381.314 2.942 20 0 GFADMN CCOC1(CNS(=O)(=O)c2nc(C)c(Br)s2)CCCC1 ZINC000555412557 564792197 /nfs/dbraw/zinc/79/21/97/564792197.db2.gz BFSNZNYRZDOABE-UHFFFAOYSA-N 0 1 383.333 2.842 20 0 GFADMN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000555413698 564792458 /nfs/dbraw/zinc/79/24/58/564792458.db2.gz ZDBLSUZESXRUCI-SNVBAGLBSA-N 0 1 398.359 2.651 20 0 GFADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCOc1cccc(I)c1 ZINC000581196732 564792460 /nfs/dbraw/zinc/79/24/60/564792460.db2.gz PPWQBAXWZCNPHF-FZMZJTMJSA-N 0 1 389.233 2.855 20 0 GFADMN O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1CCN1C1CCCC1 ZINC000528547016 564793097 /nfs/dbraw/zinc/79/30/97/564793097.db2.gz GKZBTZAJANPFSN-MRXNPFEDSA-N 0 1 387.343 2.885 20 0 GFADMN Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NC[C@H]2COCCN2)s1 ZINC000528691438 564800619 /nfs/dbraw/zinc/80/06/19/564800619.db2.gz IQUTWACUMCZZIS-AWEZNQCLSA-N 0 1 380.901 2.806 20 0 GFADMN CN(C)C[C@@H](NCc1nnn(CC(F)(F)F)n1)c1ccc(Cl)c(Cl)c1 ZINC000528767669 564803025 /nfs/dbraw/zinc/80/30/25/564803025.db2.gz POHIVBMGNXZZHX-GFCCVEGCSA-N 0 1 397.232 2.935 20 0 GFADMN C[C@H]1CCCc2nc(S(=O)(=O)N(CCN(C)C)Cc3cccs3)cn21 ZINC000581477268 564804433 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/nfs/dbraw/zinc/64/64/43/565646443.db2.gz FLVOAMNCJAQFAQ-LLVKDONJSA-N 0 1 392.244 2.944 20 0 GFADMN CCS(=O)(=O)CCCNCc1cc(OC(F)F)ccc1Br ZINC000647218354 565647543 /nfs/dbraw/zinc/64/75/43/565647543.db2.gz IJXPMYZQAPXFTR-UHFFFAOYSA-N 0 1 386.258 2.965 20 0 GFADMN CCOC(=O)c1c(C)[nH]nc1CN1CCc2nccc(Br)c2C1 ZINC000598945139 565650672 /nfs/dbraw/zinc/65/06/72/565650672.db2.gz FHYCPLKBMJCYCA-UHFFFAOYSA-N 0 1 379.258 2.611 20 0 GFADMN Cc1c(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)coc1C(=O)N(C)C ZINC000647273063 565653239 /nfs/dbraw/zinc/65/32/39/565653239.db2.gz ZROWFAQMRSFVGE-UHFFFAOYSA-N 0 1 382.404 2.833 20 0 GFADMN O=S(=O)([N-][C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000647285510 565653817 /nfs/dbraw/zinc/65/38/17/565653817.db2.gz GIMRWJMNUJBRIT-QMMMGPOBSA-N 0 1 385.686 2.662 20 0 GFADMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000647287097 565654522 /nfs/dbraw/zinc/65/45/22/565654522.db2.gz KPYHBBTXTLNEJO-VHSXEESVSA-N 0 1 381.723 2.615 20 0 GFADMN CC(C)Cn1ncnc1CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797675 565660567 /nfs/dbraw/zinc/66/05/67/565660567.db2.gz XXWPHAZGNAKNME-GOSISDBHSA-N 0 1 393.329 2.706 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)on1 ZINC000599228805 565662251 /nfs/dbraw/zinc/66/22/51/565662251.db2.gz GSHPKVAAGTVQEB-MRVPVSSYSA-N 0 1 393.248 2.678 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)on1 ZINC000599230577 565663977 /nfs/dbraw/zinc/66/39/77/565663977.db2.gz RCOBBWWXONQYKA-OAHLLOKOSA-N 0 1 384.841 2.934 20 0 GFADMN O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1CCCc2n[nH]nc21 ZINC000668793548 565667003 /nfs/dbraw/zinc/66/70/03/565667003.db2.gz GANNWWFWSJADKE-ZDUSSCGKSA-N 0 1 375.270 2.835 20 0 GFADMN O=C(NCCN1CC[C@@H](O)C1)Nc1ccc(Br)c2ccccc12 ZINC000626476156 565694913 /nfs/dbraw/zinc/69/49/13/565694913.db2.gz LAPUMHVWLBHXTO-GFCCVEGCSA-N 0 1 378.270 2.790 20 0 GFADMN CCCCNC(=O)NC(=O)CN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599666374 565695991 /nfs/dbraw/zinc/69/59/91/565695991.db2.gz NJWDWFWEMWORCO-AWEZNQCLSA-N 0 1 376.284 2.632 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000626538096 565698024 /nfs/dbraw/zinc/69/80/24/565698024.db2.gz SFGWYWQUSRDQKK-UHFFFAOYSA-N 0 1 397.317 2.953 20 0 GFADMN NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000600196485 565717513 /nfs/dbraw/zinc/71/75/13/565717513.db2.gz ZZIFNQLUNQYEJW-MRXNPFEDSA-N 0 1 399.248 2.550 20 0 GFADMN O=c1ccc(Br)cn1CCNCc1ncccc1C(F)(F)F ZINC000648634550 565721084 /nfs/dbraw/zinc/72/10/84/565721084.db2.gz WPXZKXUTFGHWKO-UHFFFAOYSA-N 0 1 376.176 2.814 20 0 GFADMN O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670444076 565724438 /nfs/dbraw/zinc/72/44/38/565724438.db2.gz CDGHVCFIKCCSAZ-CQSZACIVSA-N 0 1 385.277 2.915 20 0 GFADMN Cc1cc(Br)cc2c(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)coc21 ZINC000627261576 565727904 /nfs/dbraw/zinc/72/79/04/565727904.db2.gz ACIQTVVVZLCMRC-UONOGXRCSA-N 0 1 393.281 2.785 20 0 GFADMN C[C@H](CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000627261205 565728972 /nfs/dbraw/zinc/72/89/72/565728972.db2.gz VULMFDVCXSIPHV-KBRIMQKVSA-N 0 1 381.314 2.610 20 0 GFADMN Cn1nc(C2CC2)nc1CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000648844036 565733252 /nfs/dbraw/zinc/73/32/52/565733252.db2.gz FZYCXSVLGNXSKP-UHFFFAOYSA-N 0 1 385.649 2.995 20 0 GFADMN O=C(NCc1nn[nH]n1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000600505013 565733901 /nfs/dbraw/zinc/73/39/01/565733901.db2.gz LSZDPXQZAHNHBU-UHFFFAOYSA-N 0 1 376.203 2.668 20 0 GFADMN Cc1ncc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)n1C ZINC000600650963 565740489 /nfs/dbraw/zinc/74/04/89/565740489.db2.gz RPTMETOXNDRTQU-UHFFFAOYSA-N 0 1 381.523 2.942 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCCS1)c1ccsc1 ZINC000670969741 565748467 /nfs/dbraw/zinc/74/84/67/565748467.db2.gz BSMSJNJRYRPDEE-CRAIPNDOSA-N 0 1 383.583 2.649 20 0 GFADMN N=c1[nH]oc2cc(CNC(=O)c3[nH]nc(C4CC4)c3Br)ccc12 ZINC000627799911 565752378 /nfs/dbraw/zinc/75/23/78/565752378.db2.gz SHCHFZNKZMAOFN-UHFFFAOYSA-N 0 1 376.214 2.533 20 0 GFADMN O[C@@H]1CCC[C@H]1N1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267931 565757131 /nfs/dbraw/zinc/75/71/31/565757131.db2.gz KXTJTOQBZOYLKU-CHWSQXEVSA-N 0 1 394.235 2.898 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cnn2ccccc12 ZINC000600987553 565761137 /nfs/dbraw/zinc/76/11/37/565761137.db2.gz CDHZPMPSQHAYKQ-UHFFFAOYSA-N 0 1 397.236 2.812 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cnn2ccccc12 ZINC000600987553 565761141 /nfs/dbraw/zinc/76/11/41/565761141.db2.gz CDHZPMPSQHAYKQ-UHFFFAOYSA-N 0 1 397.236 2.812 20 0 GFADMN O=c1[n-]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000649534898 565765624 /nfs/dbraw/zinc/76/56/24/565765624.db2.gz AANUEDWKMLFKSQ-MNOVXSKESA-N 0 1 388.251 2.701 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[C@H]1CC12CCSCC2 ZINC000649544716 565765687 /nfs/dbraw/zinc/76/56/87/565765687.db2.gz VUMUQHLCGUQGLG-ZWNOBZJWSA-N 0 1 381.864 2.731 20 0 GFADMN O=c1[n-]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000649534900 565766054 /nfs/dbraw/zinc/76/60/54/565766054.db2.gz AANUEDWKMLFKSQ-WDEREUQCSA-N 0 1 388.251 2.701 20 0 GFADMN CN1CCN(C(C)(C)CNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000601188444 565771189 /nfs/dbraw/zinc/77/11/89/565771189.db2.gz ZNZBMGLYNPPOBZ-UHFFFAOYSA-N 0 1 387.297 2.736 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC(N2CCOCC2)CC1 ZINC000628121894 565775197 /nfs/dbraw/zinc/77/51/97/565775197.db2.gz AJUSHESQIXZBDQ-ZWKOTPCHSA-N 0 1 393.325 2.876 20 0 GFADMN O=C(N1CCC(N2CCOCC2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000628127760 565776346 /nfs/dbraw/zinc/77/63/46/565776346.db2.gz YRZBBYBDDUNSLR-UHFFFAOYSA-N 0 1 393.325 2.804 20 0 GFADMN C[C@H](CO)C1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000649806391 565779727 /nfs/dbraw/zinc/77/97/27/565779727.db2.gz UIBKFNJXBRJWCN-CQSZACIVSA-N 0 1 383.330 2.748 20 0 GFADMN CC[C@@H](CN1CCCC1)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000671727790 565784029 /nfs/dbraw/zinc/78/40/29/565784029.db2.gz ONGSBXUPNPSQJM-INIZCTEOSA-N 0 1 386.945 2.885 20 0 GFADMN C[C@H](O)CN1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@@H](C)C1 ZINC000672254024 565800609 /nfs/dbraw/zinc/80/06/09/565800609.db2.gz SVYOKHJEHIZNFF-RYUDHWBXSA-N 0 1 397.342 2.859 20 0 GFADMN CN(C)S(=O)(=O)N1CCC[C@@H](N[C@@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000672616464 565813272 /nfs/dbraw/zinc/81/32/72/565813272.db2.gz CFFVWNFSDCBBGV-UKRRQHHQSA-N 0 1 392.352 2.841 20 0 GFADMN COCCN1CCN(C(=O)CCc2cccc(Br)c2)C(C)(C)C1 ZINC000650833833 565837956 /nfs/dbraw/zinc/83/79/56/565837956.db2.gz XDWONTGEAGVGBI-UHFFFAOYSA-N 0 1 383.330 2.951 20 0 GFADMN Cc1cc(Br)c(F)cc1S(=O)(=O)N(CCN(C)C)C1CC1 ZINC000629350809 565846989 /nfs/dbraw/zinc/84/69/89/565846989.db2.gz FXQFDDXFPNVKJA-UHFFFAOYSA-N 0 1 379.295 2.611 20 0 GFADMN C[C@@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000602576032 565855265 /nfs/dbraw/zinc/85/52/65/565855265.db2.gz IQZOXDRYGKPNSW-BGJPBQGDSA-N 0 1 386.926 2.576 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C2CCC1CC2 ZINC000674006100 565855729 /nfs/dbraw/zinc/85/57/29/565855729.db2.gz LQUFGOONILVWAZ-LMWSTFAQSA-N 0 1 385.917 2.544 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000629499037 565856103 /nfs/dbraw/zinc/85/61/03/565856103.db2.gz QYKHRYCRUZTIFP-GXSJLCMTSA-N 0 1 376.787 2.923 20 0 GFADMN Brc1cc2ncnc(N3CC[C@@H](CN4CCOCC4)C3)c2s1 ZINC000651322295 565856487 /nfs/dbraw/zinc/85/64/87/565856487.db2.gz LQTINIOEVJWVMV-NSHDSACASA-N 0 1 383.315 2.612 20 0 GFADMN O=C1[C@H](NCc2ccc(I)s2)C[C@H]2CCCCN12 ZINC000602686169 565864314 /nfs/dbraw/zinc/86/43/14/565864314.db2.gz AZTJPBYCLGZDMB-MWLCHTKSSA-N 0 1 376.263 2.596 20 0 GFADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000674288064 565866280 /nfs/dbraw/zinc/86/62/80/565866280.db2.gz UWAATCDFMGWLGA-YOEHRIQHSA-N 0 1 382.346 2.995 20 0 GFADMN Cc1nnc(SCCC(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)[nH]1 ZINC000674473656 565874764 /nfs/dbraw/zinc/87/47/64/565874764.db2.gz RJAVRINJYUYZIK-YUMQZZPRSA-N 0 1 376.326 2.795 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651576310 565875040 /nfs/dbraw/zinc/87/50/40/565875040.db2.gz ARSPVSASWKTLGV-MNOVXSKESA-N 0 1 381.361 2.922 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000651576310 565875044 /nfs/dbraw/zinc/87/50/44/565875044.db2.gz ARSPVSASWKTLGV-MNOVXSKESA-N 0 1 381.361 2.922 20 0 GFADMN CCn1c(CNC(=O)CN(C)C2CCC2)nc2cc(Br)ccc21 ZINC000629987394 565877868 /nfs/dbraw/zinc/87/78/68/565877868.db2.gz KVMNTAHGRUQWDZ-UHFFFAOYSA-N 0 1 379.302 2.919 20 0 GFADMN CCC[C@@H](C(=O)OCC)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000603202299 565889828 /nfs/dbraw/zinc/88/98/28/565889828.db2.gz SOXJDMAMMHVOSE-LSDHHAIUSA-N 0 1 381.274 2.993 20 0 GFADMN Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000603489661 565909449 /nfs/dbraw/zinc/90/94/49/565909449.db2.gz XTZQWVACOIXKAT-OAHLLOKOSA-N 0 1 381.263 2.946 20 0 GFADMN COc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)c[nH]3)n2)cc1OC ZINC000603627990 565913006 /nfs/dbraw/zinc/91/30/06/565913006.db2.gz AZLACCBDXZAYDZ-UHFFFAOYSA-N 0 1 392.213 2.832 20 0 GFADMN O=C([O-])C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000652482452 565930881 /nfs/dbraw/zinc/93/08/81/565930881.db2.gz BCWQJEBQRYIDEE-OAHLLOKOSA-N 0 1 386.286 2.908 20 0 GFADMN COc1cc(CNC[C@H]2CCCS(=O)(=O)C2)c(F)cc1Br ZINC000631137322 565944563 /nfs/dbraw/zinc/94/45/63/565944563.db2.gz ZKHFKEANILJRDA-SNVBAGLBSA-N 0 1 380.279 2.511 20 0 GFADMN O=C([C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652901848 565945957 /nfs/dbraw/zinc/94/59/57/565945957.db2.gz RFUCTUZIRGQNSC-CABCVRRESA-N 0 1 380.279 2.559 20 0 GFADMN O=C(NC[C@H](CO)Cc1ccccc1)c1n[nH]c2ccc(Br)cc21 ZINC000605545631 565953530 /nfs/dbraw/zinc/95/35/30/565953530.db2.gz MTOLPZHCSJHFDH-CYBMUJFWSA-N 0 1 388.265 2.906 20 0 GFADMN CN1CC[C@H](N2CCC(NC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000631529375 565961724 /nfs/dbraw/zinc/96/17/24/565961724.db2.gz JEOVOSUDNVAKKO-HNNXBMFYSA-N 0 1 385.295 2.810 20 0 GFADMN Brc1cccc2c1C[C@@H]1[C@H](N[C@H](c3nnc[nH]3)c3cccnc3)[C@H]21 ZINC000631664849 565966338 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Cc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CCCCN2C)cc1Br ZINC000654074145 565994577 /nfs/dbraw/zinc/99/45/77/565994577.db2.gz VATIQFDANGZRCH-NVXWUHKLSA-N 0 1 383.330 2.509 20 0 GFADMN CC(C)c1nc([C@H](C)NC(=O)c2cc(Br)c3nccn3c2)n[nH]1 ZINC000632198630 566009189 /nfs/dbraw/zinc/00/91/89/566009189.db2.gz JTLLTMSWEMTJLX-VIFPVBQESA-N 0 1 377.246 2.829 20 0 GFADMN C[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)N1CC(C)C1 ZINC000654567583 566015936 /nfs/dbraw/zinc/01/59/36/566015936.db2.gz QPABQWLSINXQEW-CYBMUJFWSA-N 0 1 384.307 2.618 20 0 GFADMN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000678718843 566017222 /nfs/dbraw/zinc/01/72/22/566017222.db2.gz BNVZSCJRANOYSB-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000678716613 566017305 /nfs/dbraw/zinc/01/73/05/566017305.db2.gz LEHLKLSIATWFLH-UHFFFAOYSA-N 0 1 399.881 2.562 20 0 GFADMN C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000632360823 566024878 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1 376.873 2.658 20 0 GFADMN CC(C)[C@H](NCc1cscc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000684413103 566235714 /nfs/dbraw/zinc/23/57/14/566235714.db2.gz PIUMVTYIDICVAU-INIZCTEOSA-N 0 1 381.933 2.712 20 0 GFADMN CC(C)(C)CCCNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735602927 598889600 /nfs/dbraw/zinc/88/96/00/598889600.db2.gz RVBNKMISSSTPBN-UHFFFAOYSA-N 0 1 399.543 2.910 20 0 GFADMN c1ccc(C[N@@H+]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000738432875 598956812 /nfs/dbraw/zinc/95/68/12/598956812.db2.gz NJLSHHZFMAWLMH-UHFFFAOYSA-N 0 1 386.463 2.522 20 0 GFADMN c1ccc(C[N@H+]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000738432875 598956814 /nfs/dbraw/zinc/95/68/14/598956814.db2.gz NJLSHHZFMAWLMH-UHFFFAOYSA-N 0 1 386.463 2.522 20 0 GFADMN c1ccc(C[N@@H+]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000738432875 598956816 /nfs/dbraw/zinc/95/68/16/598956816.db2.gz NJLSHHZFMAWLMH-UHFFFAOYSA-N 0 1 386.463 2.522 20 0 GFADMN c1ccc(C[N@H+]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000738432875 598956817 /nfs/dbraw/zinc/95/68/17/598956817.db2.gz NJLSHHZFMAWLMH-UHFFFAOYSA-N 0 1 386.463 2.522 20 0 GFADMN Cc1c(NS(=O)(=O)c2ccccc2Br)cccc1-c1nn[nH]n1 ZINC000822130630 607255399 /nfs/dbraw/zinc/25/53/99/607255399.db2.gz XTGGGXIOQUVNIP-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738003435 599021280 /nfs/dbraw/zinc/02/12/80/599021280.db2.gz WYEGEVGNEYIGEE-IBGZPJMESA-N 0 1 396.414 2.657 20 0 GFADMN CC(C)(C)c1ccc(CCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735649100 599091127 /nfs/dbraw/zinc/09/11/27/599091127.db2.gz KHOWVWULIZQKGS-SFHVURJKSA-N 0 1 378.480 2.523 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821597940 599106901 /nfs/dbraw/zinc/10/69/01/599106901.db2.gz LUGRQJLKAHKSAL-CYBMUJFWSA-N 0 1 389.916 2.935 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821597940 599106904 /nfs/dbraw/zinc/10/69/04/599106904.db2.gz LUGRQJLKAHKSAL-CYBMUJFWSA-N 0 1 389.916 2.935 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821597940 599106906 /nfs/dbraw/zinc/10/69/06/599106906.db2.gz LUGRQJLKAHKSAL-CYBMUJFWSA-N 0 1 389.916 2.935 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821597940 599106909 /nfs/dbraw/zinc/10/69/09/599106909.db2.gz LUGRQJLKAHKSAL-CYBMUJFWSA-N 0 1 389.916 2.935 20 0 GFADMN C[C@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736284548 599144780 /nfs/dbraw/zinc/14/47/80/599144780.db2.gz AVVJNEZCPURSNF-JXFKEZNVSA-N 0 1 390.491 2.609 20 0 GFADMN C[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284587 599147311 /nfs/dbraw/zinc/14/73/11/599147311.db2.gz BLLHOHMJHSMOBU-BEFAXECRSA-N 0 1 376.464 2.931 20 0 GFADMN O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737952960 599174781 /nfs/dbraw/zinc/17/47/81/599174781.db2.gz FSSAGGOGUNVVGJ-UHFFFAOYSA-N 0 1 399.386 2.905 20 0 GFADMN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000738729071 596915064 /nfs/dbraw/zinc/91/50/64/596915064.db2.gz AWZIPQHUIXZTTO-OAQYLSRUSA-N 0 1 387.480 2.505 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(Br)cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736284890 599360845 /nfs/dbraw/zinc/36/08/45/599360845.db2.gz HLRDGYIKDIXEQN-VXGBXAGGSA-N 0 1 395.305 2.540 20 0 GFADMN Cn1ccc2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)cc21 ZINC000737613418 599237315 /nfs/dbraw/zinc/23/73/15/599237315.db2.gz OAMYXCXBPYXQKG-UHFFFAOYSA-N 0 1 388.840 2.813 20 0 GFADMN O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000738626363 597187740 /nfs/dbraw/zinc/18/77/40/597187740.db2.gz SBMLILYVGJAMQN-LJQANCHMSA-N 0 1 381.476 3.000 20 0 GFADMN COc1ccccc1CCN(C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737150729 598243717 /nfs/dbraw/zinc/24/37/17/598243717.db2.gz UCVBSLKKFFYGOZ-UHFFFAOYSA-N 0 1 389.463 2.871 20 0 GFADMN Fc1ccccc1SCCN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737669447 598253782 /nfs/dbraw/zinc/25/37/82/598253782.db2.gz MSVWTCCHVLEVBR-UHFFFAOYSA-N 0 1 384.484 2.920 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000736284656 598274705 /nfs/dbraw/zinc/27/47/05/598274705.db2.gz CHHSGHRMQXCLIC-TXEJJXNPSA-N 0 1 384.406 2.797 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000737638272 598315043 /nfs/dbraw/zinc/31/50/43/598315043.db2.gz FLYSPVQKNOOVOS-SFHVURJKSA-N 0 1 383.427 2.853 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC3(CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000737187766 598359713 /nfs/dbraw/zinc/35/97/13/598359713.db2.gz UHBNHULBBOHDEK-UHFFFAOYSA-N 0 1 388.497 2.876 20 0 GFADMN C[Si](C)(C)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000737196520 598533817 /nfs/dbraw/zinc/53/38/17/598533817.db2.gz NQKRVWLQLBZQKL-UHFFFAOYSA-N 0 1 378.306 2.822 20 0 GFADMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000737271962 598548780 /nfs/dbraw/zinc/54/87/80/598548780.db2.gz ZWMIPQDPIXYFKG-UHFFFAOYSA-N 0 1 399.354 2.716 20 0 GFADMN c1nn2cc(C[NH2+][C@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nnn[n-]1 ZINC000738427489 598618380 /nfs/dbraw/zinc/61/83/80/598618380.db2.gz IOSIDQHBAMODLZ-MJGOQNOKSA-N 0 1 388.479 2.801 20 0 GFADMN c1nn2cc(C[NH2+][C@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nn[n-]n1 ZINC000738427489 598618381 /nfs/dbraw/zinc/61/83/81/598618381.db2.gz IOSIDQHBAMODLZ-MJGOQNOKSA-N 0 1 388.479 2.801 20 0 GFADMN Clc1ccc(-c2nn[nH]n2)c(N2CCN(CCOc3ccccc3)CC2)c1 ZINC000737571112 598630572 /nfs/dbraw/zinc/63/05/72/598630572.db2.gz SBAWKLSPSURAAW-UHFFFAOYSA-N 0 1 384.871 2.721 20 0 GFADMN Clc1nsc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737585012 598675436 /nfs/dbraw/zinc/67/54/36/598675436.db2.gz WOJQWBSQEMCRLN-CYBMUJFWSA-N 0 1 389.916 2.953 20 0 GFADMN Clc1nsc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000737585012 598675437 /nfs/dbraw/zinc/67/54/37/598675437.db2.gz WOJQWBSQEMCRLN-CYBMUJFWSA-N 0 1 389.916 2.953 20 0 GFADMN Clc1nsc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737585012 598675438 /nfs/dbraw/zinc/67/54/38/598675438.db2.gz WOJQWBSQEMCRLN-CYBMUJFWSA-N 0 1 389.916 2.953 20 0 GFADMN Clc1nsc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000737585012 598675439 /nfs/dbraw/zinc/67/54/39/598675439.db2.gz WOJQWBSQEMCRLN-CYBMUJFWSA-N 0 1 389.916 2.953 20 0 GFADMN COc1ccc(OCCn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737112614 598721133 /nfs/dbraw/zinc/72/11/33/598721133.db2.gz WBZYJIRUOBLADF-UHFFFAOYSA-N 0 1 397.822 2.923 20 0 GFADMN O[C@@H](CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000738379746 598765710 /nfs/dbraw/zinc/76/57/10/598765710.db2.gz CGTZBYUDZZMFLG-IBGZPJMESA-N 0 1 383.427 2.583 20 0 GFADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820225378 599421680 /nfs/dbraw/zinc/42/16/80/599421680.db2.gz HRFYCRALSKIBIP-AWEZNQCLSA-N 0 1 395.467 2.567 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736057535 599474477 /nfs/dbraw/zinc/47/44/77/599474477.db2.gz WWASQKZOWPBNHI-CQSZACIVSA-N 0 1 398.898 2.699 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821970399 599486673 /nfs/dbraw/zinc/48/66/73/599486673.db2.gz NIHLFJCDFBOZGN-HNNXBMFYSA-N 0 1 396.476 2.960 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN(C[C@H]3CCCO3)C3CCCC3)o2)c1 ZINC000823738015 599581358 /nfs/dbraw/zinc/58/13/58/599581358.db2.gz NAGRDDNYKKIJBJ-QGZVFWFLSA-N 0 1 395.467 2.840 20 0 GFADMN COc1ccccc1[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145029 599592786 /nfs/dbraw/zinc/59/27/86/599592786.db2.gz APKMRCWDXNZTIJ-GDBMZVCRSA-N 0 1 392.463 2.692 20 0 GFADMN C[C@H](C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1)C(=O)[O-] ZINC000736578228 599714117 /nfs/dbraw/zinc/71/41/17/599714117.db2.gz KFNWWBCVCUSZIT-OAHLLOKOSA-N 0 1 384.432 2.967 20 0 GFADMN CC(C)(NC(=O)[O-])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000736325362 599723028 /nfs/dbraw/zinc/72/30/28/599723028.db2.gz KSDITMOLXOEWRD-UHFFFAOYSA-N 0 1 381.476 2.966 20 0 GFADMN CC(C)[N@H+]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000736803638 599772653 /nfs/dbraw/zinc/77/26/53/599772653.db2.gz ZTLBCARBTULGAT-CQSZACIVSA-N 0 1 393.553 2.926 20 0 GFADMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736880836 599818823 /nfs/dbraw/zinc/81/88/23/599818823.db2.gz ZTZXJLPFPSFKPE-QVKFZJNVSA-N 0 1 388.508 2.982 20 0 GFADMN O=C([O-])CCc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000739760653 599829148 /nfs/dbraw/zinc/82/91/48/599829148.db2.gz VYQFHAKTHZTMCH-UHFFFAOYSA-N 0 1 396.491 2.648 20 0 GFADMN CC[N@H+](CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737079149 599875128 /nfs/dbraw/zinc/87/51/28/599875128.db2.gz LCWACDQJNYLCKT-UHFFFAOYSA-N 0 1 385.464 2.736 20 0 GFADMN CC[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737079149 599875130 /nfs/dbraw/zinc/87/51/30/599875130.db2.gz LCWACDQJNYLCKT-UHFFFAOYSA-N 0 1 385.464 2.736 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000738275613 599935423 /nfs/dbraw/zinc/93/54/23/599935423.db2.gz SDSOXZBWIHTBNP-DOTOQJQBSA-N 0 1 388.489 2.807 20 0 GFADMN C[NH+]1CCN([C@H](CNC(=O)c2cccc(NC(=O)[O-])c2)c2cccs2)CC1 ZINC000737526883 599988244 /nfs/dbraw/zinc/98/82/44/599988244.db2.gz YJHFNJGXFSDSNF-MRXNPFEDSA-N 0 1 388.493 2.557 20 0 GFADMN O=C([O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cc(F)ccc1F ZINC000739370473 599991142 /nfs/dbraw/zinc/99/11/42/599991142.db2.gz XCDMKTRDIJAJOG-KBXCAEBGSA-N 0 1 389.402 2.514 20 0 GFADMN O=C([O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cc(F)ccc1F ZINC000739370478 599991256 /nfs/dbraw/zinc/99/12/56/599991256.db2.gz XCDMKTRDIJAJOG-KSSFIOAISA-N 0 1 389.402 2.514 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000739628305 599993479 /nfs/dbraw/zinc/99/34/79/599993479.db2.gz ZFFVORWIIXRBIZ-DENIHFKCSA-N 0 1 392.499 2.979 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c(C)c1C(=O)[O-] ZINC000738234431 600049488 /nfs/dbraw/zinc/04/94/88/600049488.db2.gz DDSSGBMDKFMBEN-CQSZACIVSA-N 0 1 395.463 2.823 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736876959 600089214 /nfs/dbraw/zinc/08/92/14/600089214.db2.gz IYRZJPADWHZYAP-LRDDRELGSA-N 0 1 385.302 2.539 20 0 GFADMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736876963 600089359 /nfs/dbraw/zinc/08/93/59/600089359.db2.gz IYRZJPADWHZYAP-WBMJQRKESA-N 0 1 385.302 2.539 20 0 GFADMN C[C@H]1c2ccccc2CC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840940 600111784 /nfs/dbraw/zinc/11/17/84/600111784.db2.gz VPEKSLCKCODRPH-BTYIYWSLSA-N 0 1 391.471 2.899 20 0 GFADMN C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840940 600111786 /nfs/dbraw/zinc/11/17/86/600111786.db2.gz VPEKSLCKCODRPH-BTYIYWSLSA-N 0 1 391.471 2.899 20 0 GFADMN O=C([O-])c1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000739275103 600120094 /nfs/dbraw/zinc/12/00/94/600120094.db2.gz WLDSLMSILAHDBK-UHFFFAOYSA-N 0 1 381.432 2.674 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1cc(C(=O)OC)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000736915053 600129291 /nfs/dbraw/zinc/12/92/91/600129291.db2.gz BVIGJDFKDJBVOM-NRFANRHFSA-N 0 1 384.432 2.700 20 0 GFADMN CC[C@]([NH2+]CC(=O)NC(=O)Nc1cccc(C)c1C)(C(=O)[O-])c1ccccc1 ZINC000736914954 600131166 /nfs/dbraw/zinc/13/11/66/600131166.db2.gz AAJIHHUNUOONPN-OAQYLSRUSA-N 0 1 383.448 2.931 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736737616 600145059 /nfs/dbraw/zinc/14/50/59/600145059.db2.gz UZZQTJYFWJYLRR-CJMVGXJBSA-N 0 1 390.505 2.730 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736737616 600145061 /nfs/dbraw/zinc/14/50/61/600145061.db2.gz UZZQTJYFWJYLRR-CJMVGXJBSA-N 0 1 390.505 2.730 20 0 GFADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736945393 600278224 /nfs/dbraw/zinc/27/82/24/600278224.db2.gz WSZZHBRJWHZDHJ-LJQANCHMSA-N 0 1 399.495 2.529 20 0 GFADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736945393 600278226 /nfs/dbraw/zinc/27/82/26/600278226.db2.gz WSZZHBRJWHZDHJ-LJQANCHMSA-N 0 1 399.495 2.529 20 0 GFADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736791236 600303553 /nfs/dbraw/zinc/30/35/53/600303553.db2.gz CWOGJFXTESMYKK-CYBMUJFWSA-N 0 1 395.887 2.605 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000248864944 600309877 /nfs/dbraw/zinc/30/98/77/600309877.db2.gz HLNHBMWNDNFATM-HUUCEWRRSA-N 0 1 398.500 2.799 20 0 GFADMN Cc1nc(NC(=O)C[N@H+](C)C[C@H](C)C(=O)[O-])sc1Cc1ccc(C)cc1 ZINC000422598940 600362445 /nfs/dbraw/zinc/36/24/45/600362445.db2.gz XMDXXCRQVSLTHJ-ZDUSSCGKSA-N 0 1 375.494 2.942 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CCCCC1 ZINC000739274262 600431329 /nfs/dbraw/zinc/43/13/29/600431329.db2.gz PEPRUKBWTPHBES-UHFFFAOYSA-N 0 1 382.464 2.556 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CCCCC1 ZINC000739274262 600431331 /nfs/dbraw/zinc/43/13/31/600431331.db2.gz 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C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000736762809 600736773 /nfs/dbraw/zinc/73/67/73/600736773.db2.gz LZCULGCPIZSYJJ-UTUOFQBUSA-N 0 1 394.493 2.678 20 0 GFADMN O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263204954 600749481 /nfs/dbraw/zinc/74/94/81/600749481.db2.gz HZXHJVWEVIHOHR-HOCLYGCPSA-N 0 1 399.413 2.786 20 0 GFADMN CN(Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000737478716 600773860 /nfs/dbraw/zinc/77/38/60/600773860.db2.gz RJPLHNUEJQKLKG-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN CN(Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1)C(=O)[O-] ZINC000737478716 600773861 /nfs/dbraw/zinc/77/38/61/600773861.db2.gz RJPLHNUEJQKLKG-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC(C)C)C2)cc(C(=O)[O-])c1 ZINC000831256781 600799886 /nfs/dbraw/zinc/79/98/86/600799886.db2.gz AHGFGULYPFRWBJ-ZIAGYGMSSA-N 0 1 376.453 2.866 20 0 GFADMN O=C([O-])c1cccc(-c2nc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cs2)c1 ZINC000833326344 600816553 /nfs/dbraw/zinc/81/65/53/600816553.db2.gz PINLFRJDDZEYBP-GOSISDBHSA-N 0 1 387.505 2.805 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(OC)c1 ZINC000832273207 600823206 /nfs/dbraw/zinc/82/32/06/600823206.db2.gz PPVJOKBMWZBUGF-KSSFIOAISA-N 0 1 390.480 2.552 20 0 GFADMN CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000826930509 600848586 /nfs/dbraw/zinc/84/85/86/600848586.db2.gz SWPCTDHKWROIQA-UHFFFAOYSA-N 0 1 383.514 2.529 20 0 GFADMN CN(C(=O)C[N@H+](CC(=O)[O-])C1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000575049864 600856122 /nfs/dbraw/zinc/85/61/22/600856122.db2.gz RPGJJRLTHRKZRH-UHFFFAOYSA-N 0 1 396.487 2.800 20 0 GFADMN CN(C(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000575049864 600856123 /nfs/dbraw/zinc/85/61/23/600856123.db2.gz RPGJJRLTHRKZRH-UHFFFAOYSA-N 0 1 396.487 2.800 20 0 GFADMN C[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000571283609 600857683 /nfs/dbraw/zinc/85/76/83/600857683.db2.gz VGFKRMKFKJMRSX-MRXNPFEDSA-N 0 1 388.508 2.698 20 0 GFADMN CS[C@@H]1CCCCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000826227755 607475671 /nfs/dbraw/zinc/47/56/71/607475671.db2.gz XFOOTLRZHUAUCK-GFCCVEGCSA-N 0 1 380.543 2.701 20 0 GFADMN C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2Cl)CC1 ZINC000830960562 600919479 /nfs/dbraw/zinc/91/94/79/600919479.db2.gz RKYJQUPLOADEEX-UONOGXRCSA-N 0 1 379.888 2.921 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659756944 600954651 /nfs/dbraw/zinc/95/46/51/600954651.db2.gz IKZJNTWGKSKKGQ-GOSISDBHSA-N 0 1 382.460 2.744 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737665954 600972362 /nfs/dbraw/zinc/97/23/62/600972362.db2.gz IKOUMGAQHWNSAL-ZDUSSCGKSA-N 0 1 382.416 2.557 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)cc(C(=O)[O-])c1 ZINC000737665954 600972364 /nfs/dbraw/zinc/97/23/64/600972364.db2.gz 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GFADMN Cc1nc(-c2ccsc2)ccc1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000740208878 602116460 /nfs/dbraw/zinc/11/64/60/602116460.db2.gz UNUYXMMLHQDWIJ-UHFFFAOYSA-N 0 1 388.493 2.534 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001314 602259581 /nfs/dbraw/zinc/25/95/81/602259581.db2.gz MUERTHDJPXYETL-LRDDRELGSA-N 0 1 388.493 2.920 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001314 602259583 /nfs/dbraw/zinc/25/95/83/602259583.db2.gz MUERTHDJPXYETL-LRDDRELGSA-N 0 1 388.493 2.920 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000740674287 602315484 /nfs/dbraw/zinc/31/54/84/602315484.db2.gz RYESQNGGRXJBBI-IBGZPJMESA-N 0 1 381.476 2.749 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000740241762 602378195 /nfs/dbraw/zinc/37/81/95/602378195.db2.gz GGDHMFROZURDBX-SFHVURJKSA-N 0 1 399.495 2.940 20 0 GFADMN 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NMNNDVGLGNFSBA-OAHLLOKOSA-N 0 1 381.546 2.969 20 0 GFADMN CN(C[C@H]1CCC[N@@H+](CN2C(=S)N=NC2CCC2CCCC2)C1)C(=O)[O-] ZINC000739637005 602861259 /nfs/dbraw/zinc/86/12/59/602861259.db2.gz NMNNDVGLGNFSBA-OAHLLOKOSA-N 0 1 381.546 2.969 20 0 GFADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736806176 602899255 /nfs/dbraw/zinc/89/92/55/602899255.db2.gz CEXSVEYIWBOWDF-CPUCHLNUSA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[C@H]1NC(=O)[O-] ZINC000739140425 602931054 /nfs/dbraw/zinc/93/10/54/602931054.db2.gz VMDFVWRFMQRHAY-WQVCFCJDSA-N 0 1 382.892 2.630 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739185552 602937777 /nfs/dbraw/zinc/93/77/77/602937777.db2.gz AKGSUBJTFKUNRR-IEBWSBKVSA-N 0 1 388.512 2.682 20 0 GFADMN CC[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739457316 602942301 /nfs/dbraw/zinc/94/23/01/602942301.db2.gz RNYMHXGIKLFPQS-NSHDSACASA-N 0 1 390.362 2.638 20 0 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XXBVIZKUQUTOHZ-UHFFFAOYSA-N 0 1 386.477 2.968 20 0 GFADMN O=C([O-])N1CCc2c1cccc2NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000831689820 603978227 /nfs/dbraw/zinc/97/82/27/603978227.db2.gz XXBVIZKUQUTOHZ-UHFFFAOYSA-N 0 1 386.477 2.968 20 0 GFADMN CN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1CCN(C(=O)[O-])CC1 ZINC000827995433 604023049 /nfs/dbraw/zinc/02/30/49/604023049.db2.gz SXPFPWZEHQLOKT-MRXNPFEDSA-N 0 1 382.892 2.727 20 0 GFADMN CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000827794433 604030685 /nfs/dbraw/zinc/03/06/85/604030685.db2.gz NMNHVJBJKWSNAE-IBGZPJMESA-N 0 1 388.512 2.825 20 0 GFADMN COc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000829618245 604058170 /nfs/dbraw/zinc/05/81/70/604058170.db2.gz DULQWMBKCISFMV-IHPCNDPISA-N 0 1 384.476 2.724 20 0 GFADMN C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(OCCCNC(=O)[O-])CC1 ZINC000825645612 604104260 /nfs/dbraw/zinc/10/42/60/604104260.db2.gz SFVMMFBUTCFEBV-GFCCVEGCSA-N 0 1 380.470 2.998 20 0 GFADMN 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CC[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC[N@H+]1CCOC ZINC000829134139 604532481 /nfs/dbraw/zinc/53/24/81/604532481.db2.gz OKFGJFPXSSXBFZ-MSOLQXFVSA-N 0 1 391.512 2.591 20 0 GFADMN CN(Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000828375714 604551431 /nfs/dbraw/zinc/55/14/31/604551431.db2.gz QLWKXWDHXMMQTK-ROUUACIJSA-N 0 1 390.484 2.561 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2cccc(C(=O)[O-])c2)C1 ZINC000833593408 604560139 /nfs/dbraw/zinc/56/01/39/604560139.db2.gz XNSFZYXKXSAERC-CALCHBBNSA-N 0 1 375.513 2.985 20 0 GFADMN Cc1cc(NC(=O)[C@H](NC(=O)[O-])C(C)C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000832892771 604596797 /nfs/dbraw/zinc/59/67/97/604596797.db2.gz DUZPRODNSUIYBO-IEBWSBKVSA-N 0 1 399.495 2.869 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000825349251 604609846 /nfs/dbraw/zinc/60/98/46/604609846.db2.gz ALWUBDKBESFHFN-QMTHXVAHSA-N 0 1 390.267 2.679 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000825349251 604609851 /nfs/dbraw/zinc/60/98/51/604609851.db2.gz ALWUBDKBESFHFN-QMTHXVAHSA-N 0 1 390.267 2.679 20 0 GFADMN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000833618776 604610914 /nfs/dbraw/zinc/61/09/14/604610914.db2.gz FTINAOOBVYLUOR-VXNCWWDNSA-N 0 1 376.497 2.612 20 0 GFADMN Cc1cc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)cc(C)c1OCC(=O)[O-] ZINC000832885331 604660870 /nfs/dbraw/zinc/66/08/70/604660870.db2.gz MNYZZDARYKXVRD-UHFFFAOYSA-N 0 1 385.464 2.879 20 0 GFADMN C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CCCCC1 ZINC000828392748 604680104 /nfs/dbraw/zinc/68/01/04/604680104.db2.gz BRRAHGOAJPKMOH-SFHVURJKSA-N 0 1 375.469 2.768 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1 ZINC000833550302 604683765 /nfs/dbraw/zinc/68/37/65/604683765.db2.gz WDOSZPMKWOJJQJ-CJNGLKHVSA-N 0 1 392.452 2.638 20 0 GFADMN Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(O)(C(=O)[O-])CC3)cc2)c1 ZINC000833753451 604727085 /nfs/dbraw/zinc/72/70/85/604727085.db2.gz NEFRNXYRPXUKEM-UHFFFAOYSA-N 0 1 384.432 2.637 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833410269 604727989 /nfs/dbraw/zinc/72/79/89/604727989.db2.gz WNCHJBKLVBPHTR-VIFPVBQESA-N 0 1 394.777 2.597 20 0 GFADMN Cc1cc(C)cc(OCc2noc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)n2)c1 ZINC000584409608 604769057 /nfs/dbraw/zinc/76/90/57/604769057.db2.gz FJVGLBFFGGIBSU-UHFFFAOYSA-N 0 1 389.452 2.721 20 0 GFADMN O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000833318204 604814744 /nfs/dbraw/zinc/81/47/44/604814744.db2.gz WIURVLNYDLFOSE-BLLLJJGKSA-N 0 1 398.912 2.676 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CCOc1cccc(Cl)c1 ZINC000826294946 607719223 /nfs/dbraw/zinc/71/92/23/607719223.db2.gz KJJZGJYZBJZVEC-UHFFFAOYSA-N 0 1 382.811 2.617 20 0 GFADMN C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833516044 604962996 /nfs/dbraw/zinc/96/29/96/604962996.db2.gz QBKGHGOWGCEJLC-KZULUSFZSA-N 0 1 379.416 2.858 20 0 GFADMN C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833516044 604963000 /nfs/dbraw/zinc/96/30/00/604963000.db2.gz QBKGHGOWGCEJLC-KZULUSFZSA-N 0 1 379.416 2.858 20 0 GFADMN CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830507290 604969707 /nfs/dbraw/zinc/96/97/07/604969707.db2.gz HRQGNFBCHYRIRI-MRXNPFEDSA-N 0 1 388.493 2.899 20 0 GFADMN CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833429480 605001184 /nfs/dbraw/zinc/00/11/84/605001184.db2.gz NMAVJPUOVYEJGP-UHFFFAOYSA-N 0 1 388.917 2.781 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000833548507 605020005 /nfs/dbraw/zinc/02/00/05/605020005.db2.gz LEDCHVDVPGXWTL-UKRRQHHQSA-N 0 1 392.452 2.638 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)Cc2ccccc2C(=O)[O-])[NH+]2CCCC2)o1 ZINC000833749262 605024278 /nfs/dbraw/zinc/02/42/78/605024278.db2.gz ONUWHDGGPBXPEQ-KRWDZBQOSA-N 0 1 392.477 2.543 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[N@H+]1C1CC1 ZINC000833599709 605046491 /nfs/dbraw/zinc/04/64/91/605046491.db2.gz ZNJKLICESDIGBU-QWRGUYRKSA-N 0 1 380.491 2.503 20 0 GFADMN Cc1cccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C(=O)[O-] ZINC000833753470 605048725 /nfs/dbraw/zinc/04/87/25/605048725.db2.gz OEJYSLSJKHLFBD-QGZVFWFLSA-N 0 1 388.489 2.588 20 0 GFADMN CC(C)COc1ccc([C@H](C)NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833488834 605055668 /nfs/dbraw/zinc/05/56/68/605055668.db2.gz QCMVRLSWJYPOOY-IRXDYDNUSA-N 0 1 391.512 2.973 20 0 GFADMN CCC(CC)(CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424410506 605096982 /nfs/dbraw/zinc/09/69/82/605096982.db2.gz IPFTVVDXNXVEMA-UHFFFAOYSA-N 0 1 379.476 2.934 20 0 GFADMN CCC(CC)(CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424410506 605096988 /nfs/dbraw/zinc/09/69/88/605096988.db2.gz IPFTVVDXNXVEMA-UHFFFAOYSA-N 0 1 379.476 2.934 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1Br ZINC000833623791 605102890 /nfs/dbraw/zinc/10/28/90/605102890.db2.gz GHYXZUZLLSJJKH-JTQLQIEISA-N 0 1 389.677 2.724 20 0 GFADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c(C)cc1Br ZINC000833742842 605116874 /nfs/dbraw/zinc/11/68/74/605116874.db2.gz XZPVJVZFYDGFSO-ZDUSSCGKSA-N 0 1 383.286 2.687 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000833624970 605137421 /nfs/dbraw/zinc/13/74/21/605137421.db2.gz MGXOKLXLCFRPJP-ZDUSSCGKSA-N 0 1 392.887 2.554 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000833594697 605141374 /nfs/dbraw/zinc/14/13/74/605141374.db2.gz GCQVHDKPKAJBFQ-UONOGXRCSA-N 0 1 388.468 2.927 20 0 GFADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740188073 605161740 /nfs/dbraw/zinc/16/17/40/605161740.db2.gz VQILGUNJNIQKBT-IRFCIJBXSA-N 0 1 384.476 2.804 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000833622380 605165255 /nfs/dbraw/zinc/16/52/55/605165255.db2.gz AYNBJKVXWLUMCF-MRXNPFEDSA-N 0 1 395.459 2.560 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833622185 605176264 /nfs/dbraw/zinc/17/62/64/605176264.db2.gz MYUQVKCYVQHSFX-IAGOWNOFSA-N 0 1 382.460 2.885 20 0 GFADMN C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000833619180 605191503 /nfs/dbraw/zinc/19/15/03/605191503.db2.gz BIJXCPOUSQRAQO-KCXAZCMYSA-N 0 1 384.398 2.849 20 0 GFADMN CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833507814 605212228 /nfs/dbraw/zinc/21/22/28/605212228.db2.gz JOSGWIXPRGUWQS-CQSZACIVSA-N 0 1 392.315 2.720 20 0 GFADMN CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000833391242 605221868 /nfs/dbraw/zinc/22/18/68/605221868.db2.gz PBIWLNTVISYTGP-UHFFFAOYSA-N 0 1 396.447 2.693 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[NH+]3CCC(CCCO)CC3)c2C(=O)[O-])C1 ZINC000833617069 605226384 /nfs/dbraw/zinc/22/63/84/605226384.db2.gz NQOHCSIRQLYUKL-ZDUSSCGKSA-N 0 1 394.537 2.994 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000833629001 605297583 /nfs/dbraw/zinc/29/75/83/605297583.db2.gz DDRATKOOFPPBPG-PBHICJAKSA-N 0 1 378.469 2.885 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3nc(N4CCCC4)sc3=S)C[C@H]21 ZINC000834178272 605328251 /nfs/dbraw/zinc/32/82/51/605328251.db2.gz DPVDKJQPTSYBFK-YNEHKIRRSA-N 0 1 383.543 2.600 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3nc(N4CCCC4)sc3=S)C[C@H]21 ZINC000834178272 605328255 /nfs/dbraw/zinc/32/82/55/605328255.db2.gz DPVDKJQPTSYBFK-YNEHKIRRSA-N 0 1 383.543 2.600 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)O1 ZINC000833580700 605346265 /nfs/dbraw/zinc/34/62/65/605346265.db2.gz RIXNMZYLYUJDDD-CXAGYDPISA-N 0 1 392.883 2.563 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)O1 ZINC000833580700 605346274 /nfs/dbraw/zinc/34/62/74/605346274.db2.gz RIXNMZYLYUJDDD-CXAGYDPISA-N 0 1 392.883 2.563 20 0 GFADMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCCNC(=O)[O-] ZINC000830645479 605413962 /nfs/dbraw/zinc/41/39/62/605413962.db2.gz IJVYLVICFHYYOU-QGZVFWFLSA-N 0 1 385.468 2.625 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)C[C@H]21 ZINC000834178441 605430737 /nfs/dbraw/zinc/43/07/37/605430737.db2.gz FRLYVPNVIMFGAV-ZLKJLUDKSA-N 0 1 376.844 2.857 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)C[C@H]21 ZINC000834178441 605430741 /nfs/dbraw/zinc/43/07/41/605430741.db2.gz FRLYVPNVIMFGAV-ZLKJLUDKSA-N 0 1 376.844 2.857 20 0 GFADMN Cc1sc2nc(C[N@H+]3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@@H]4C3)nc(N)c2c1C ZINC000833935263 605442617 /nfs/dbraw/zinc/44/26/17/605442617.db2.gz FRYYZOMRWDQVDH-YNEHKIRRSA-N 0 1 375.498 2.758 20 0 GFADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833622654 605457422 /nfs/dbraw/zinc/45/74/22/605457422.db2.gz MVVADEFAZWVCAJ-FOZNTRSISA-N 0 1 395.450 2.851 20 0 GFADMN CC(C)[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000833622654 605457426 /nfs/dbraw/zinc/45/74/26/605457426.db2.gz MVVADEFAZWVCAJ-FOZNTRSISA-N 0 1 395.450 2.851 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@@H]21 ZINC000834187479 605458661 /nfs/dbraw/zinc/45/86/61/605458661.db2.gz ZOKWCSJDHGAWQH-UHOFOFEASA-N 0 1 390.415 2.656 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@@H]21 ZINC000834187479 605458664 /nfs/dbraw/zinc/45/86/64/605458664.db2.gz ZOKWCSJDHGAWQH-UHOFOFEASA-N 0 1 390.415 2.656 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@H]21 ZINC000834187592 605458757 /nfs/dbraw/zinc/45/87/57/605458757.db2.gz KTUDBPGWPVAPAP-YNEHKIRRSA-N 0 1 383.395 2.595 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000834026795 605521443 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CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824119983 608236296 /nfs/dbraw/zinc/23/62/96/608236296.db2.gz WIMONTDLRMDZMK-UHFFFAOYSA-N 0 1 391.428 2.984 20 0 GFADMN O[C@@H](CN1CC(c2nc3ccccc3s2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502320 608321375 /nfs/dbraw/zinc/32/13/75/608321375.db2.gz AVVBZAVBUPRJKS-INIZCTEOSA-N 0 1 378.461 2.609 20 0 GFADMN C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824984941 608406039 /nfs/dbraw/zinc/40/60/39/608406039.db2.gz PQMNKYXFVPXSSP-SWLSCSKDSA-N 0 1 390.463 2.741 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000824562883 608445903 /nfs/dbraw/zinc/44/59/03/608445903.db2.gz KOBCQIXHAJYCFX-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826184485 608450021 /nfs/dbraw/zinc/45/00/21/608450021.db2.gz YVENBFSZQLAGHR-GFCCVEGCSA-N 0 1 399.451 2.752 20 0 GFADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333873 608453048 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2.889 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000826522806 608602012 /nfs/dbraw/zinc/60/20/12/608602012.db2.gz PHGSAQUUGJVJHP-GOSISDBHSA-N 0 1 375.436 2.558 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000826372411 608640790 /nfs/dbraw/zinc/64/07/90/608640790.db2.gz UXPDRYYDJPGLBQ-INIZCTEOSA-N 0 1 394.454 2.694 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825323037 608657758 /nfs/dbraw/zinc/65/77/58/608657758.db2.gz NKVWHPMYEIMEGN-UHFFFAOYSA-N 0 1 394.479 2.977 20 0 GFADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825323037 608657764 /nfs/dbraw/zinc/65/77/64/608657764.db2.gz NKVWHPMYEIMEGN-UHFFFAOYSA-N 0 1 394.479 2.977 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000825323037 608657766 /nfs/dbraw/zinc/65/77/66/608657766.db2.gz NKVWHPMYEIMEGN-UHFFFAOYSA-N 0 1 394.479 2.977 20 0 GFADMN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823981930 608696482 /nfs/dbraw/zinc/69/64/82/608696482.db2.gz SVKSIGQHTSAYKW-QGZVFWFLSA-N 0 1 388.541 2.931 20 0 GFADMN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823981930 608696484 /nfs/dbraw/zinc/69/64/84/608696484.db2.gz SVKSIGQHTSAYKW-QGZVFWFLSA-N 0 1 388.541 2.931 20 0 GFADMN C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539520 609151057 /nfs/dbraw/zinc/15/10/57/609151057.db2.gz OFKMZIVMLSSNRP-LXIYXOSZSA-N 0 1 380.427 2.850 20 0 GFADMN COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000826213530 609185324 /nfs/dbraw/zinc/18/53/24/609185324.db2.gz ACPAPYAIHUZBRJ-SNVBAGLBSA-N 0 1 395.448 2.871 20 0 GFADMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000826213529 609185393 /nfs/dbraw/zinc/18/53/93/609185393.db2.gz ACPAPYAIHUZBRJ-JTQLQIEISA-N 0 1 395.448 2.871 20 0 GFADMN CC(C)(C)CCN1CCN(C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000824086466 609289924 /nfs/dbraw/zinc/28/99/24/609289924.db2.gz MMCCZWAVDNMFRR-UHFFFAOYSA-N 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NC(=O)c1c(Cl)ncnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995199 722202468 /nfs/dbraw/zinc/20/24/68/722202468.db2.gz LLSTUXOZAUACTB-LJQANCHMSA-N 0 1 389.862 2.613 20 0 GFADMN Cc1cc(N(C)C)nc(NCc2cn(-c3ccccc3Br)nn2)n1 ZINC000517714037 532423563 /nfs/dbraw/zinc/42/35/63/532423563.db2.gz HQMDSUUUEHAMDW-UHFFFAOYSA-N 0 1 388.273 2.806 20 0 GFADMN CC(C)N1CCc2nc(CN3CCN(Cc4cccc(O)c4)CC3)sc2C1 ZINC000359960363 206273735 /nfs/dbraw/zinc/27/37/35/206273735.db2.gz ONAFSNDLTOJBDP-UHFFFAOYSA-N 0 1 386.565 2.933 20 0 GFADMN Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)sc2nccn12 ZINC000359975504 206275111 /nfs/dbraw/zinc/27/51/11/206275111.db2.gz DTXZXYXRMLCMIC-UHFFFAOYSA-N 0 1 397.504 2.734 20 0 GFADMN COc1ccc(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)c(OC)c1 ZINC000019552242 207132959 /nfs/dbraw/zinc/13/29/59/207132959.db2.gz FUVSNJYAPNHJGF-UHFFFAOYSA-N 0 1 382.460 2.861 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)C2(c3ccc(I)cc3)CC2)n[nH]1 ZINC000286430835 563560160 /nfs/dbraw/zinc/56/01/60/563560160.db2.gz QOHDJLLCSMPUAL-SECBINFHSA-N 0 1 396.232 2.627 20 0 GFADMN Cc1cccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)c1Br ZINC000435440692 563651425 /nfs/dbraw/zinc/65/14/25/563651425.db2.gz YZICUCKRWCFOCE-CYBMUJFWSA-N 0 1 375.332 2.909 20 0 GFADMN C[C@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456040 563726575 /nfs/dbraw/zinc/72/65/75/563726575.db2.gz WZMLEOCMWWLALK-FZMZJTMJSA-N 0 1 376.266 2.827 20 0 GFADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000011473255 551106904 /nfs/dbraw/zinc/10/69/04/551106904.db2.gz USXHIYBVOJLEBG-UHFFFAOYSA-N 0 1 379.873 2.525 20 0 GFADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000011473255 551106906 /nfs/dbraw/zinc/10/69/06/551106906.db2.gz USXHIYBVOJLEBG-UHFFFAOYSA-N 0 1 379.873 2.525 20 0 GFADMN O=C(Nc1ccc(I)cc1)[C@@H]1Cc2ccccc2CN1 ZINC000020478008 551115588 /nfs/dbraw/zinc/11/55/88/551115588.db2.gz GTTFXTOGAQLPNU-HNNXBMFYSA-N 0 1 378.213 2.944 20 0 GFADMN C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)c1nc(N)nc(N(C)C)n1 ZINC000021977509 551116692 /nfs/dbraw/zinc/11/66/92/551116692.db2.gz KECFGZCZBVINIQ-QMMMGPOBSA-N 0 1 376.877 2.812 20 0 GFADMN Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(N)=O ZINC000028196964 551123449 /nfs/dbraw/zinc/12/34/49/551123449.db2.gz KCDOPOUKQGKFBM-UHFFFAOYSA-N 0 1 381.763 2.597 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)NCc2csc(Br)c2)C[C@H](C)O1 ZINC000048458171 551156392 /nfs/dbraw/zinc/15/63/92/551156392.db2.gz BPDZWADQGLJGNC-TXEJJXNPSA-N 0 1 390.347 2.809 20 0 GFADMN O=C(c1ccc2[nH]nnc2c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000057033869 551179931 /nfs/dbraw/zinc/17/99/31/551179931.db2.gz MTNTVBVDVPRHLP-UHFFFAOYSA-N 0 1 377.235 2.622 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H](C)C1 ZINC000058271200 551182427 /nfs/dbraw/zinc/18/24/27/551182427.db2.gz YHFFNYAXVVVRTA-OLZOCXBDSA-N 0 1 387.933 2.649 20 0 GFADMN COCc1nc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cs1 ZINC000065049960 551185353 /nfs/dbraw/zinc/18/53/53/551185353.db2.gz RZSNYBGMWFWMEC-UHFFFAOYSA-N 0 1 380.901 2.947 20 0 GFADMN Cc1nnnn1-c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1F ZINC000068716563 551193271 /nfs/dbraw/zinc/19/32/71/551193271.db2.gz JLRLYRMWVIPMPQ-UHFFFAOYSA-N 0 1 385.783 2.703 20 0 GFADMN C[C@H]1CN(C2CCN(C(=O)NCc3ccc(Br)cc3)CC2)CCO1 ZINC000106578055 551200430 /nfs/dbraw/zinc/20/04/30/551200430.db2.gz POQQGENMVHRLDR-AWEZNQCLSA-N 0 1 396.329 2.844 20 0 GFADMN Cc1c(Cl)cccc1S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000110096518 551202645 /nfs/dbraw/zinc/20/26/45/551202645.db2.gz GYMXRMYYDHIJSR-UHFFFAOYSA-N 0 1 390.933 2.542 20 0 GFADMN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 ZINC000114107416 551209189 /nfs/dbraw/zinc/20/91/89/551209189.db2.gz XWJAVHWNNBUVSY-UHFFFAOYSA-N 0 1 376.825 2.781 20 0 GFADMN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(Br)cc1O ZINC000116078518 551211287 /nfs/dbraw/zinc/21/12/87/551211287.db2.gz HDRRSXKSDGRCLK-UHFFFAOYSA-N 0 1 398.282 2.696 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccnc(C(=O)N(C)C)c2)c1 ZINC000120335140 551219457 /nfs/dbraw/zinc/21/94/57/551219457.db2.gz KAGNFBSGKZOGBE-UHFFFAOYSA-N 0 1 398.282 2.655 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120955098 551223292 /nfs/dbraw/zinc/22/32/92/551223292.db2.gz VTFWSNYDKMVBME-HUUCEWRRSA-N 0 1 382.346 2.695 20 0 GFADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)s1 ZINC000122473883 551298400 /nfs/dbraw/zinc/29/84/00/551298400.db2.gz YQBRLGMWVPFTPE-UHFFFAOYSA-N 0 1 379.507 2.737 20 0 GFADMN CCN1CCN([C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000122735298 551301350 /nfs/dbraw/zinc/30/13/50/551301350.db2.gz VFJQYOCZYDEGGO-HNNXBMFYSA-N 0 1 385.339 2.644 20 0 GFADMN COC[C@@](C)(CC(=O)OC)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000123354218 551305558 /nfs/dbraw/zinc/30/55/58/551305558.db2.gz MEXPXNDOLHJSAR-PIGZYNQJSA-N 0 1 391.295 2.728 20 0 GFADMN CC(C)(O)[C@H]1CCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000124099240 551310430 /nfs/dbraw/zinc/31/04/30/551310430.db2.gz XYRNRNFJVFMQTE-GFCCVEGCSA-N 0 1 399.232 2.543 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)Cc3ccc(Br)c(F)c3)cc21 ZINC000124194503 551311840 /nfs/dbraw/zinc/31/18/40/551311840.db2.gz GQTQHUIENHEDSC-UHFFFAOYSA-N 0 1 391.200 2.745 20 0 GFADMN Cc1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000124473380 551315261 /nfs/dbraw/zinc/31/52/61/551315261.db2.gz QOHCCNREDPMEOM-ZDUSSCGKSA-N 0 1 387.343 2.890 20 0 GFADMN C[C@H](CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1 ZINC000124564433 551315696 /nfs/dbraw/zinc/31/56/96/551315696.db2.gz RZBJZZVSODLAKM-MRVPVSSYSA-N 0 1 385.121 2.734 20 0 GFADMN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc3c(cc2Br)OCO3)CN1 ZINC000125145338 551319902 /nfs/dbraw/zinc/31/99/02/551319902.db2.gz GPIWRZRCFOBUDM-RISCZKNCSA-N 0 1 381.270 2.668 20 0 GFADMN C[C@@H](C[S@@](C)=O)N(C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000126576963 551331493 /nfs/dbraw/zinc/33/14/93/551331493.db2.gz JUPXPDMIKOHPON-FPQVQZPGSA-N 0 1 398.750 2.541 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccccc2Br)n(-c2ncccn2)n1 ZINC000128567715 551350361 /nfs/dbraw/zinc/35/03/61/551350361.db2.gz UYPWQVVRPWYHBG-UHFFFAOYSA-N 0 1 394.254 2.534 20 0 GFADMN O=C(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1cccc(Br)c1 ZINC000129969783 551360613 /nfs/dbraw/zinc/36/06/13/551360613.db2.gz PWQUKNSGXVKCTD-JKSUJKDBSA-N 0 1 383.286 2.658 20 0 GFADMN CS(=O)(=O)c1csc(C(=O)NC[C@H]2CCCN2CC2CCCCC2)c1 ZINC000130839701 551369893 /nfs/dbraw/zinc/36/98/93/551369893.db2.gz FHXWBMCNIRWLKF-OAHLLOKOSA-N 0 1 384.567 2.926 20 0 GFADMN CSC[C@@H](CCO)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000132860176 551379930 /nfs/dbraw/zinc/37/99/30/551379930.db2.gz HKKZYLWFECDQJU-OAHLLOKOSA-N 0 1 379.551 2.631 20 0 GFADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000151245709 551410009 /nfs/dbraw/zinc/41/00/09/551410009.db2.gz ACZDIKKDZNUVBN-ZDUSSCGKSA-N 0 1 384.318 2.608 20 0 GFADMN CCc1nc([C@@H]2CN(C(=O)Nc3cccc(Br)c3)CCO2)n[nH]1 ZINC000151435813 551413359 /nfs/dbraw/zinc/41/33/59/551413359.db2.gz PJHZIKKBNJYQSF-LBPRGKRZSA-N 0 1 380.246 2.735 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000151660173 551419118 /nfs/dbraw/zinc/41/91/18/551419118.db2.gz BTVBWJHPZKQOHD-NSHDSACASA-N 0 1 389.725 2.860 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000151870160 551422308 /nfs/dbraw/zinc/42/23/08/551422308.db2.gz YDNSKFIHXJWAFG-OCCSQVGLSA-N 0 1 394.313 2.746 20 0 GFADMN Cc1cccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000152151460 551427349 /nfs/dbraw/zinc/42/73/49/551427349.db2.gz NUWFORYCXLMWHF-OAHLLOKOSA-N 0 1 380.535 2.928 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCCC2(C1)OCCO2 ZINC000152260731 551429448 /nfs/dbraw/zinc/42/94/48/551429448.db2.gz OFRNASRBIOEYKF-UHFFFAOYSA-N 0 1 392.253 2.818 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1C(N)=O ZINC000152455822 551433080 /nfs/dbraw/zinc/43/30/80/551433080.db2.gz RBAHNSAAINJKGJ-UHFFFAOYSA-N 0 1 387.230 2.796 20 0 GFADMN C[C@H](CC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000153687664 551458596 /nfs/dbraw/zinc/45/85/96/551458596.db2.gz KGLXJHKZGNOREQ-CQSZACIVSA-N 0 1 383.330 2.858 20 0 GFADMN CCC[C@H]1CN(C(=O)c2cc(Br)ccc2O)CCN1CCOC ZINC000153693842 551458632 /nfs/dbraw/zinc/45/86/32/551458632.db2.gz WWNKSUGZVBTJEN-AWEZNQCLSA-N 0 1 385.302 2.728 20 0 GFADMN CCN(CC)S(=O)(=O)CCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000154753797 551482225 /nfs/dbraw/zinc/48/22/25/551482225.db2.gz OSBMWSBMMWFSST-NSHDSACASA-N 0 1 381.311 2.910 20 0 GFADMN COCCNCC(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000154850646 551484415 /nfs/dbraw/zinc/48/44/15/551484415.db2.gz AFEBCFNALMHZNP-UHFFFAOYSA-N 0 1 387.665 2.667 20 0 GFADMN O=C(CN1CCC(OCCCO)CC1)NCCc1cccc(Cl)c1Cl ZINC000154874910 551484634 /nfs/dbraw/zinc/48/46/34/551484634.db2.gz MBUCCLFCXVQNBU-UHFFFAOYSA-N 0 1 389.323 2.516 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)n[nH]1 ZINC000155321299 551497027 /nfs/dbraw/zinc/49/70/27/551497027.db2.gz BHZCKLHIOXZHAQ-QMMMGPOBSA-N 0 1 399.676 2.820 20 0 GFADMN CC(C)(C)NC(=O)CN1CCC(CNc2nnc(C(F)(F)F)s2)CC1 ZINC000155435913 551499815 /nfs/dbraw/zinc/49/98/15/551499815.db2.gz AHWXVQPXECRCLL-UHFFFAOYSA-N 0 1 379.452 2.596 20 0 GFADMN Cc1sc(Br)cc1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000155599572 551503664 /nfs/dbraw/zinc/50/36/64/551503664.db2.gz PVYDODYWLJYYHN-UHFFFAOYSA-N 0 1 391.316 2.505 20 0 GFADMN Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)CN3CCN(C)CC3)oc21 ZINC000156236496 551518365 /nfs/dbraw/zinc/51/83/65/551518365.db2.gz WBYCVPDBJNHRHI-ZDUSSCGKSA-N 0 1 394.313 2.869 20 0 GFADMN CSc1nsc(NC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 ZINC000156774649 551527798 /nfs/dbraw/zinc/52/77/98/551527798.db2.gz NVFVIHWCOVCZEL-AAEUAGOBSA-N 0 1 378.527 2.687 20 0 GFADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000157226458 551535300 /nfs/dbraw/zinc/53/53/00/551535300.db2.gz VOCNTXJWVKYEDE-CXAGYDPISA-N 0 1 384.929 2.690 20 0 GFADMN CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1F ZINC000157394915 551537443 /nfs/dbraw/zinc/53/74/43/551537443.db2.gz VDBVHHSRMGNZCL-UHFFFAOYSA-N 0 1 386.832 2.706 20 0 GFADMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1 ZINC000158217160 551548465 /nfs/dbraw/zinc/54/84/65/551548465.db2.gz FKQUEYDMDQWXCO-UHFFFAOYSA-N 0 1 396.266 2.772 20 0 GFADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000158715876 551555581 /nfs/dbraw/zinc/55/55/81/551555581.db2.gz VJIOJIAAVYTHML-LLVKDONJSA-N 0 1 386.209 2.744 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161766550 551598464 /nfs/dbraw/zinc/59/84/64/551598464.db2.gz VXCKOPFTZQEUOV-RNCFNFMXSA-N 0 1 384.454 2.671 20 0 GFADMN COC[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000161866236 551599616 /nfs/dbraw/zinc/59/96/16/551599616.db2.gz AVSROKWGAGUVRE-CABCVRRESA-N 0 1 376.444 2.946 20 0 GFADMN CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000161955234 551601023 /nfs/dbraw/zinc/60/10/23/551601023.db2.gz BDXIMJFLYCQKLF-UHFFFAOYSA-N 0 1 391.873 2.867 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000161957709 551601241 /nfs/dbraw/zinc/60/12/41/551601241.db2.gz CLIGDCPALCBWQT-LBPRGKRZSA-N 0 1 382.507 2.963 20 0 GFADMN NC(=O)[C@@H](NCCN1CCc2sccc2C1)c1cccc(Br)c1 ZINC000161983950 551601868 /nfs/dbraw/zinc/60/18/68/551601868.db2.gz KKIDNTBLAPFTNZ-INIZCTEOSA-N 0 1 394.338 2.685 20 0 GFADMN Cc1nc([C@H](N[C@@H](C)Cn2cc(Br)cn2)c2ccccc2)n[nH]1 ZINC000162553328 551609656 /nfs/dbraw/zinc/60/96/56/551609656.db2.gz ZBULBPGMQMFDSH-XHDPSFHLSA-N 0 1 375.274 2.840 20 0 GFADMN CC1(C)C[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)CCO1 ZINC000163120869 551616319 /nfs/dbraw/zinc/61/63/19/551616319.db2.gz HVSLXZHIRMDRKV-MRVPVSSYSA-N 0 1 384.242 2.963 20 0 GFADMN CCN1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000163274938 551618485 /nfs/dbraw/zinc/61/84/85/551618485.db2.gz ZLLWCKQSRIYEAE-UHFFFAOYSA-N 0 1 388.693 2.595 20 0 GFADMN C[C@@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163695178 551621282 /nfs/dbraw/zinc/62/12/82/551621282.db2.gz IVVGDYIIANFYRC-HUUCEWRRSA-N 0 1 381.314 2.733 20 0 GFADMN Cc1cc(N2CCC[C@H](NCc3ccnn3C)C2=O)ccc1Br ZINC000167188230 551632858 /nfs/dbraw/zinc/63/28/58/551632858.db2.gz FFEAVYZPGGYXTJ-INIZCTEOSA-N 0 1 377.286 2.776 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H](CCC(N)=O)C1 ZINC000170732554 551638574 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O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1n[nH]c2ccc(Br)cc21 ZINC000171836485 551664659 /nfs/dbraw/zinc/66/46/59/551664659.db2.gz IMWCEZJBABYQMK-HNNXBMFYSA-N 0 1 399.248 2.861 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)C=Cc3cc(Br)ccc3F)CCO2)n[nH]1 ZINC000173088361 551695412 /nfs/dbraw/zinc/69/54/12/551695412.db2.gz OWDSLZIAIZKHMR-JBQRSBCVSA-N 0 1 395.232 2.628 20 0 GFADMN COCCOC[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000174102377 552099079 /nfs/dbraw/zinc/09/90/79/552099079.db2.gz LKIYRGXNDZSAEY-HNNXBMFYSA-N 0 1 389.323 2.937 20 0 GFADMN CC(C)Oc1cc(Br)cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000174203267 552102378 /nfs/dbraw/zinc/10/23/78/552102378.db2.gz XTSDLIBHJKZJEX-AWEZNQCLSA-N 0 1 398.345 2.602 20 0 GFADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000175220894 552118051 /nfs/dbraw/zinc/11/80/51/552118051.db2.gz KVWQVWIPHMFWRQ-INIZCTEOSA-N 0 1 375.519 2.878 20 0 GFADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000175248639 552118821 /nfs/dbraw/zinc/11/88/21/552118821.db2.gz 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552155907 /nfs/dbraw/zinc/15/59/07/552155907.db2.gz BNWMZGCUHJXAEZ-LFPIHBKWSA-N 0 1 380.535 2.525 20 0 GFADMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178108175 552164262 /nfs/dbraw/zinc/16/42/62/552164262.db2.gz POBZWRLYTZCMNZ-GFCCVEGCSA-N 0 1 381.885 2.851 20 0 GFADMN CN(CCC(=O)N1CCc2sccc2C1)Cc1ccc([S@](C)=O)cc1 ZINC000178428846 552170269 /nfs/dbraw/zinc/17/02/69/552170269.db2.gz VQRBUGONVDASOM-VWLOTQADSA-N 0 1 376.547 2.892 20 0 GFADMN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1CNCCO1 ZINC000178436838 552170376 /nfs/dbraw/zinc/17/03/76/552170376.db2.gz XFAWVEGLRCQGKL-IAGOWNOFSA-N 0 1 393.256 2.782 20 0 GFADMN C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000179479904 552194589 /nfs/dbraw/zinc/19/45/89/552194589.db2.gz GOTQLCNRWLDTCV-GFCCVEGCSA-N 0 1 388.249 2.553 20 0 GFADMN CS(=O)(=O)Nc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000179765926 552202619 /nfs/dbraw/zinc/20/26/19/552202619.db2.gz LZVZNCGJXQRAGQ-UHFFFAOYSA-N 0 1 378.834 2.651 20 0 GFADMN O=C(CSc1cccc(Br)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179878418 552205966 /nfs/dbraw/zinc/20/59/66/552205966.db2.gz DHECFVLZOSJQHT-CQSZACIVSA-N 0 1 399.354 2.722 20 0 GFADMN CSc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1Cl ZINC000180645517 552232172 /nfs/dbraw/zinc/23/21/72/552232172.db2.gz YOTCDGYIAKGQSX-UHFFFAOYSA-N 0 1 387.914 2.903 20 0 GFADMN CC(C)C(=O)NCCN(C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000180836758 552236973 /nfs/dbraw/zinc/23/69/73/552236973.db2.gz XAIRCEJBLXHXST-UHFFFAOYSA-N 0 1 385.302 2.814 20 0 GFADMN Cc1cc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)CCO)c(C)s1 ZINC000180883755 552238708 /nfs/dbraw/zinc/23/87/08/552238708.db2.gz QDKWZGZHSNFZQA-AWEZNQCLSA-N 0 1 382.551 2.829 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2ccc3nncn3c2)c(C)cc1Br ZINC000181077867 552245966 /nfs/dbraw/zinc/24/59/66/552245966.db2.gz LPDWAKCJDIUYQI-UHFFFAOYSA-N 0 1 381.255 2.909 20 0 GFADMN O=C(c1ccc(I)cc1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181194691 552249733 /nfs/dbraw/zinc/24/97/33/552249733.db2.gz KQZOBDLTEWAVJH-GFCCVEGCSA-N 0 1 382.205 2.777 20 0 GFADMN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCc2c1c(Br)ccc2F ZINC000181692403 552265386 /nfs/dbraw/zinc/26/53/86/552265386.db2.gz IPKLNHYWDDTHDJ-YGRLFVJLSA-N 0 1 391.306 2.589 20 0 GFADMN COCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(OC)cc1Br)CC2 ZINC000182012470 552273257 /nfs/dbraw/zinc/27/32/57/552273257.db2.gz BUEZZZOXBJIMFK-NEPJUHHUSA-N 0 1 395.301 2.861 20 0 GFADMN CC(C)(C)OC(=O)CNC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000182066081 552274510 /nfs/dbraw/zinc/27/45/10/552274510.db2.gz MCWSSLCXBKZJGC-UHFFFAOYSA-N 0 1 397.313 2.876 20 0 GFADMN CC(C)Sc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000182097632 552275185 /nfs/dbraw/zinc/27/51/85/552275185.db2.gz GFCJVZZWOLACGC-OFQRWUPVSA-N 0 1 384.567 2.530 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000182125766 552276468 /nfs/dbraw/zinc/27/64/68/552276468.db2.gz WNOUIMKVRAAIGB-JTQLQIEISA-N 0 1 386.955 2.967 20 0 GFADMN O=C(c1cccc2nn[nH]c21)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000182741589 552292281 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Nc1cc(Br)ccc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000185247576 552358122 /nfs/dbraw/zinc/35/81/22/552358122.db2.gz PSAMISADZSTXPE-UHFFFAOYSA-N 0 1 389.297 2.821 20 0 GFADMN CN1CCN(CCC(C)(C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000185432133 552363355 /nfs/dbraw/zinc/36/33/55/552363355.db2.gz GEPPTPFHAPQJRB-UHFFFAOYSA-N 0 1 394.368 2.688 20 0 GFADMN O=S(=O)(c1ccc(Br)cc1F)N1CCCC[C@H]1c1nnc[nH]1 ZINC000185619193 552367655 /nfs/dbraw/zinc/36/76/55/552367655.db2.gz XMKDCKNEFJIUHU-NSHDSACASA-N 0 1 389.250 2.622 20 0 GFADMN C[C@@]1(C(N)=O)CCCCN1CCC(=O)Nc1ccc(Br)cc1F ZINC000185884324 552372698 /nfs/dbraw/zinc/37/26/98/552372698.db2.gz MVTAGGFRRKASEZ-INIZCTEOSA-N 0 1 386.265 2.647 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(OC)nc2C)c1 ZINC000186098361 552378634 /nfs/dbraw/zinc/37/86/34/552378634.db2.gz UGYSOJOBBNZXNP-UHFFFAOYSA-N 0 1 387.255 2.971 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccc2C)cc1Br ZINC000186978121 552403000 /nfs/dbraw/zinc/40/30/00/552403000.db2.gz REQRXXGXXUNLPG-UHFFFAOYSA-N 0 1 384.255 2.912 20 0 GFADMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCCN1CCCOCC1 ZINC000187021557 552404353 /nfs/dbraw/zinc/40/43/53/552404353.db2.gz CAAWRUDSLGSGMG-HNNXBMFYSA-N 0 1 398.345 2.792 20 0 GFADMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1cccc(Br)c1 ZINC000187378618 552413903 /nfs/dbraw/zinc/41/39/03/552413903.db2.gz WBPDIUKECPEIOL-KGLIPLIRSA-N 0 1 398.345 2.997 20 0 GFADMN CC[C@]1(CO)CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000187641881 552420878 /nfs/dbraw/zinc/42/08/78/552420878.db2.gz OBFLEXKXAMSENZ-SFHVURJKSA-N 0 1 383.330 2.892 20 0 GFADMN CCNC(=O)NC(=O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188184656 552437954 /nfs/dbraw/zinc/43/79/54/552437954.db2.gz WHOSYVWOMUQVCU-CQSZACIVSA-N 0 1 386.265 2.865 20 0 GFADMN O=C(Nc1ccsc1Cl)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000188182772 552437971 /nfs/dbraw/zinc/43/79/71/552437971.db2.gz HMMUYKDUMUSRIZ-UHFFFAOYSA-N 0 1 378.885 2.516 20 0 GFADMN Cc1ccc(CC(=O)N2CCN(C3CCOCC3)CC2)cc1Br ZINC000189211444 552465581 /nfs/dbraw/zinc/46/55/81/552465581.db2.gz 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/nfs/dbraw/zinc/55/28/84/552552884.db2.gz QORUHQURPHNBQS-UHFFFAOYSA-N 0 1 377.302 2.591 20 0 GFADMN CC[N@@H+](CCNC(=O)Nc1cccc(C(=O)OC)c1Br)C1CC1 ZINC000192423744 552563185 /nfs/dbraw/zinc/56/31/85/552563185.db2.gz RCDWSNZKSXBWEQ-UHFFFAOYSA-N 0 1 384.274 2.842 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192463517 552564703 /nfs/dbraw/zinc/56/47/03/552564703.db2.gz QAIGKMWHBGGXTD-CYBMUJFWSA-N 0 1 395.345 2.695 20 0 GFADMN O=C(COc1cccc(I)c1)Nc1ccc2[nH]nnc2c1 ZINC000192718400 552972346 /nfs/dbraw/zinc/97/23/46/552972346.db2.gz QLUAUSLNLALHGG-UHFFFAOYSA-N 0 1 394.172 2.580 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC000193107163 552983740 /nfs/dbraw/zinc/98/37/40/552983740.db2.gz TVEUVFACXSQHII-ZDUSSCGKSA-N 0 1 378.464 2.630 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1C(=O)NCC[C@H]1C ZINC000193675009 552999679 /nfs/dbraw/zinc/99/96/79/552999679.db2.gz JAMVVJRWPUPTQY-BDJLRTHQSA-N 0 1 377.286 2.557 20 0 GFADMN C=Cn1cc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000193738947 553001508 /nfs/dbraw/zinc/00/15/08/553001508.db2.gz BKOHDHFLTLXLCN-UHFFFAOYSA-N 0 1 390.285 2.992 20 0 GFADMN CCOC(=O)C[C@H](NC(=O)CCc1cnc[nH]1)c1cccc(Br)c1 ZINC000193799469 553003808 /nfs/dbraw/zinc/00/38/08/553003808.db2.gz UAJWLTRKCTZJRU-HNNXBMFYSA-N 0 1 394.269 2.916 20 0 GFADMN COC(=O)c1ccc(CS(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000194573883 553024816 /nfs/dbraw/zinc/02/48/16/553024816.db2.gz MBFNUBPHTSHVCA-UHFFFAOYSA-N 0 1 377.447 2.867 20 0 GFADMN Cc1ccc(CS(=O)(=O)Nc2cn(C)cc(Br)c2=O)c(F)c1 ZINC000194689056 553026720 /nfs/dbraw/zinc/02/67/20/553026720.db2.gz UKLWMGCYKQDKNJ-UHFFFAOYSA-N 0 1 389.246 2.537 20 0 GFADMN CC[NH+]1CCC(N(C)C(=O)c2cc(I)ccc2[O-])CC1 ZINC000220457775 553055256 /nfs/dbraw/zinc/05/52/56/553055256.db2.gz KNSRLDBQXCZTHL-UHFFFAOYSA-N 0 1 388.249 2.553 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)c1ccc(F)cc1I ZINC000226568612 553062153 /nfs/dbraw/zinc/06/21/53/553062153.db2.gz UXCHXQMNTANVIF-UHFFFAOYSA-N 0 1 387.196 2.824 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000234109844 553067349 /nfs/dbraw/zinc/06/73/49/553067349.db2.gz QPQCVUALBGUIEV-ZDUSSCGKSA-N 0 1 375.332 2.862 20 0 GFADMN O=C(NCCNCc1cccc2c1OCCO2)c1ccc(Br)cc1 ZINC000236669585 553070271 /nfs/dbraw/zinc/07/02/71/553070271.db2.gz LVKXKRDZHSSJFY-UHFFFAOYSA-N 0 1 391.265 2.740 20 0 GFADMN NCc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)o1 ZINC000237949906 553084098 /nfs/dbraw/zinc/08/40/98/553084098.db2.gz POMXWHIQKWCGLF-UHFFFAOYSA-N 0 1 382.247 2.643 20 0 GFADMN CC(C)n1cnc(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000245517912 553091525 /nfs/dbraw/zinc/09/15/25/553091525.db2.gz AIBHFVYNNOBLGE-RHSMWYFYSA-N 0 1 382.555 2.887 20 0 GFADMN CC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c32)CCN1C[C@H](C)O ZINC000245587951 553093690 /nfs/dbraw/zinc/09/36/90/553093690.db2.gz KBRPPBJAACDSLJ-QWHCGFSZSA-N 0 1 394.313 2.848 20 0 GFADMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000246146970 553103283 /nfs/dbraw/zinc/10/32/83/553103283.db2.gz YUGDAVHOUFPUHG-XJKSGUPXSA-N 0 1 389.297 2.880 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000246460033 553107505 /nfs/dbraw/zinc/10/75/05/553107505.db2.gz MYTOYQRAOIUBQO-FHLIZLRMSA-N 0 1 393.325 2.733 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC[N@H+]1C[C@H](C)O ZINC000246536731 553109051 /nfs/dbraw/zinc/10/90/51/553109051.db2.gz XFPNEXXEVYCRHK-NWDGAFQWSA-N 0 1 375.296 2.919 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)cc2OC)CCN1C[C@H](C)O ZINC000246536731 553109054 /nfs/dbraw/zinc/10/90/54/553109054.db2.gz XFPNEXXEVYCRHK-NWDGAFQWSA-N 0 1 375.296 2.919 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000246566392 553110210 /nfs/dbraw/zinc/11/02/10/553110210.db2.gz LFFSXHVTZDFSDI-LSDHHAIUSA-N 0 1 399.329 2.689 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246728497 553112214 /nfs/dbraw/zinc/11/22/14/553112214.db2.gz ONFRAUMPCNZPRA-ZIAGYGMSSA-N 0 1 392.301 2.780 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000248893871 553136912 /nfs/dbraw/zinc/13/69/12/553136912.db2.gz UFXJDENWIQVJHJ-UONOGXRCSA-N 0 1 386.539 2.721 20 0 GFADMN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248934725 553137460 /nfs/dbraw/zinc/13/74/60/553137460.db2.gz BTGRLAMUJBUQHX-FRRDWIJNSA-N 0 1 385.302 2.744 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC[N@H+]1CC(C)(C)O ZINC000249332928 553142056 /nfs/dbraw/zinc/14/20/56/553142056.db2.gz HTBHNODFOJSTSV-XYPHTWIQSA-N 0 1 395.341 2.856 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CCN1CC(C)(C)O ZINC000249332928 553142059 /nfs/dbraw/zinc/14/20/59/553142059.db2.gz HTBHNODFOJSTSV-XYPHTWIQSA-N 0 1 395.341 2.856 20 0 GFADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000249408736 553142799 /nfs/dbraw/zinc/14/27/99/553142799.db2.gz UWLVZGCQUWYDAN-KGLIPLIRSA-N 0 1 399.329 2.520 20 0 GFADMN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCN2CCCC[C@H]2C1 ZINC000250303805 553147226 /nfs/dbraw/zinc/14/72/26/553147226.db2.gz ZLBKAQHAITZNMT-XJKSGUPXSA-N 0 1 379.913 2.840 20 0 GFADMN NC1(c2noc(-c3n[nH]c4ccc(I)cc43)n2)CCCC1 ZINC000261872991 553161883 /nfs/dbraw/zinc/16/18/83/553161883.db2.gz VKXQZVHJVVAVBZ-UHFFFAOYSA-N 0 1 395.204 2.946 20 0 GFADMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C[C@H]1COCCN1 ZINC000262024462 553164856 /nfs/dbraw/zinc/16/48/56/553164856.db2.gz DFWWUOUHRSQKGJ-ZDUSSCGKSA-N 0 1 388.295 2.549 20 0 GFADMN O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1NCCc2ccccc21 ZINC000262328147 553169233 /nfs/dbraw/zinc/16/92/33/553169233.db2.gz RHKWJBQBSJHQCA-QGZVFWFLSA-N 0 1 395.322 2.756 20 0 GFADMN Cc1ccc([C@@H](N)C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000262689662 553173841 /nfs/dbraw/zinc/17/38/41/553173841.db2.gz ZDFCXIXJCMXHCC-MRXNPFEDSA-N 0 1 377.286 2.818 20 0 GFADMN NCc1cc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)co1 ZINC000262822864 553176883 /nfs/dbraw/zinc/17/68/83/553176883.db2.gz YTQLAZKMKBQRRF-UHFFFAOYSA-N 0 1 384.299 2.520 20 0 GFADMN CC(C)NC(=O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263680517 553190792 /nfs/dbraw/zinc/19/07/92/553190792.db2.gz IGWZVJAPSZDKOT-UHFFFAOYSA-N 0 1 382.302 2.624 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)Nc1ncc(Br)cc1C(F)(F)F ZINC000450317102 564226434 /nfs/dbraw/zinc/22/64/34/564226434.db2.gz JFFROLOQGBUMQM-JTQLQIEISA-N 0 1 381.240 2.911 20 0 GFADMN CCS(=O)(=O)NCCCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000510565228 564338746 /nfs/dbraw/zinc/33/87/46/564338746.db2.gz LMUMDHYSODWYJC-UHFFFAOYSA-N 0 1 393.322 2.882 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000491336856 564790219 /nfs/dbraw/zinc/79/02/19/564790219.db2.gz XCFPCJZWOUFOSX-QMMMGPOBSA-N 0 1 387.752 2.927 20 0 GFADMN Cn1ncc(Br)c1CNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000278584545 563262567 /nfs/dbraw/zinc/26/25/67/563262567.db2.gz YXSDMTXRNUYHNA-GFCCVEGCSA-N 0 1 387.322 2.919 20 0 GFADMN Cc1sc(Br)nc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000372987670 563324942 /nfs/dbraw/zinc/32/49/42/563324942.db2.gz ZXDPTJBRRDOKAM-JTQLQIEISA-N 0 1 388.331 2.539 20 0 GFADMN Cn1ccnc1[C@](O)(CNCc1cc(Br)cs1)C(F)(F)F ZINC000299302551 563380708 /nfs/dbraw/zinc/38/07/08/563380708.db2.gz AZZYGKRJVUIUOI-LLVKDONJSA-N 0 1 384.221 2.784 20 0 GFADMN C[C@H](c1ccccc1)[NH+]1CCC([N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000369377073 563213340 /nfs/dbraw/zinc/21/33/40/563213340.db2.gz FDAZAOBSQJYTTC-CYBMUJFWSA-N 0 1 382.917 2.577 20 0 GFADMN Cc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(=O)n1C ZINC000277555588 563213585 /nfs/dbraw/zinc/21/35/85/563213585.db2.gz YAXZGNNQXWEJDA-AWEZNQCLSA-N 0 1 398.326 2.550 20 0 GFADMN O=C(c1nc(C2CC2)ncc1Br)N1CCN(C2CCCC2)CC1 ZINC000277694342 563221597 /nfs/dbraw/zinc/22/15/97/563221597.db2.gz DRFPRTHFMPZIRX-UHFFFAOYSA-N 0 1 379.302 2.817 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)C[S@@](=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000294952816 563223060 /nfs/dbraw/zinc/22/30/60/563223060.db2.gz WAQCRXPACQHWNZ-MQNRADLISA-N 0 1 378.460 2.973 20 0 GFADMN Cn1cc([C@@H]2[C@@H](CNC(=O)c3nc(Cl)ccc3Cl)CCCN2C)cn1 ZINC000369819465 563225800 /nfs/dbraw/zinc/22/58/00/563225800.db2.gz OCWVKGXUQQITEK-BZNIZROVSA-N 0 1 382.295 2.935 20 0 GFADMN OC[C@@H](CN1CCCCC1)Nc1nc(C(F)(F)F)c(Br)s1 ZINC000418962096 563231566 /nfs/dbraw/zinc/23/15/66/563231566.db2.gz KSMRDZIHITVYOH-MRVPVSSYSA-N 0 1 388.253 3.183 20 0 GFADMN Cc1nccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000370028143 563231600 /nfs/dbraw/zinc/23/16/00/563231600.db2.gz CYKUAAIAIWCRNY-ZDUSSCGKSA-N 0 1 390.285 2.793 20 0 GFADMN COC(=O)CCSc1cccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)c1 ZINC000277924880 563233048 /nfs/dbraw/zinc/23/30/48/563233048.db2.gz FLCWOSADBDKXLX-LLVKDONJSA-N 0 1 376.356 2.719 20 0 GFADMN C[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)[C@H](C)CN1CCO ZINC000419346760 563238720 /nfs/dbraw/zinc/23/87/20/563238720.db2.gz VVTYCJFZOCLGGT-VXGBXAGGSA-N 0 1 393.272 2.937 20 0 GFADMN CN(Cc1ccc2c(c1)NC(=O)CO2)[C@H](CO)c1cccc(Br)c1 ZINC000295298000 563241342 /nfs/dbraw/zinc/24/13/42/563241342.db2.gz JSBHFVDOLRWLAM-MRXNPFEDSA-N 0 1 391.265 2.945 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC(F)(F)C[C@@H]1CO ZINC000370400728 563242800 /nfs/dbraw/zinc/24/28/00/563242800.db2.gz QVXOGNCMGCSCAU-LLVKDONJSA-N 0 1 386.196 2.681 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1Br)N1CCN([C@H]2CCSC2)CC1 ZINC000370414384 563243284 /nfs/dbraw/zinc/24/32/84/563243284.db2.gz KDICEBIIKQKZHI-KBPBESRZSA-N 0 1 398.370 2.899 20 0 GFADMN COc1cc(Br)c(CNC(=O)[C@H]2CCCc3[nH]cnc32)cc1OC ZINC000370491395 563245430 /nfs/dbraw/zinc/24/54/30/563245430.db2.gz LSUNJQOXNCPKHH-NSHDSACASA-N 0 1 394.269 2.926 20 0 GFADMN O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)c(Br)c1 ZINC000295426134 563246786 /nfs/dbraw/zinc/24/67/86/563246786.db2.gz XICQLHSAPIEKPZ-UHFFFAOYSA-N 0 1 391.678 2.577 20 0 GFADMN CCCOc1c(Br)cc(C(=O)NCc2n[nH]c(CC)n2)cc1OC ZINC000295475053 563249434 /nfs/dbraw/zinc/24/94/34/563249434.db2.gz YQKPEUXBWVWUEI-UHFFFAOYSA-N 0 1 397.273 2.857 20 0 GFADMN CS(=O)(=O)N1CC[C@@H](CN2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000370585046 563249540 /nfs/dbraw/zinc/24/95/40/563249540.db2.gz TXIMZIYDKHRRHJ-XJKSGUPXSA-N 0 1 387.343 2.868 20 0 GFADMN CS(=O)(=O)N1CC[C@@H](CN2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000370585041 563249702 /nfs/dbraw/zinc/24/97/02/563249702.db2.gz TXIMZIYDKHRRHJ-BBRMVZONSA-N 0 1 387.343 2.868 20 0 GFADMN COC(=O)COc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000278324109 563250073 /nfs/dbraw/zinc/25/00/73/563250073.db2.gz GMROCMHJXLDSTB-UHFFFAOYSA-N 0 1 382.463 2.763 20 0 GFADMN Cc1ccc(O[C@@H](C)C(=O)NCc2n[nH]c(C3CC3)n2)c(Br)c1 ZINC000295513629 563251807 /nfs/dbraw/zinc/25/18/07/563251807.db2.gz UIOJNZSBNRYMNO-JTQLQIEISA-N 0 1 379.258 2.837 20 0 GFADMN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000278379018 563252543 /nfs/dbraw/zinc/25/25/43/563252543.db2.gz IYGMVRCMDAOFNZ-AWEZNQCLSA-N 0 1 381.885 2.769 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000278425762 563254890 /nfs/dbraw/zinc/25/48/90/563254890.db2.gz YFHJGQNABSQRFQ-JTQLQIEISA-N 0 1 378.420 2.879 20 0 GFADMN O=C(Cc1ccc(F)c(Br)c1)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000370764212 563254956 /nfs/dbraw/zinc/25/49/56/563254956.db2.gz XBALQGNTZGHBNO-PBHICJAKSA-N 0 1 399.304 2.748 20 0 GFADMN CCCN1C(=O)N(Cc2nc3cccc(Br)c3[nH]2)C(=O)[C@H]1COC ZINC000420028971 563256605 /nfs/dbraw/zinc/25/66/05/563256605.db2.gz HTVHPBRYHNMPAR-GFCCVEGCSA-N 0 1 395.257 2.515 20 0 GFADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370853555 563258135 /nfs/dbraw/zinc/25/81/35/563258135.db2.gz FAOGSBFDIGFVTF-KWQFWETISA-N 0 1 388.280 2.587 20 0 GFADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000370853555 563258138 /nfs/dbraw/zinc/25/81/38/563258138.db2.gz FAOGSBFDIGFVTF-KWQFWETISA-N 0 1 388.280 2.587 20 0 GFADMN COc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)cc(OC)c1Br ZINC000295787341 563262377 /nfs/dbraw/zinc/26/23/77/563262377.db2.gz RBSMBEGEHKLZKQ-UHFFFAOYSA-N 0 1 383.246 2.638 20 0 GFADMN COC(=O)c1sc(S(=O)(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(C)c1Cl ZINC000278668793 563265708 /nfs/dbraw/zinc/26/57/08/563265708.db2.gz FRUCLMQUNRUIHS-KOLCDFICSA-N 0 1 394.946 2.600 20 0 GFADMN CCn1cc([C@H](C)NCC(=O)Nc2ccccc2I)cn1 ZINC000295896843 563267085 /nfs/dbraw/zinc/26/70/85/563267085.db2.gz CXSQSXYSMGYTDI-NSHDSACASA-N 0 1 398.248 2.797 20 0 GFADMN O=C(c1cc(I)ccc1O)N1CCC(c2cnc[nH]2)CC1 ZINC000371171333 563267870 /nfs/dbraw/zinc/26/78/70/563267870.db2.gz UURKQMAHTQGHJD-UHFFFAOYSA-N 0 1 397.216 2.740 20 0 GFADMN CC(C)CC[C@H](C)NC(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000420643922 563268978 /nfs/dbraw/zinc/26/89/78/563268978.db2.gz XXOCAHOLCZIYFY-NSHDSACASA-N 0 1 395.301 2.883 20 0 GFADMN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](C)c2cccc(Br)c2)C1 ZINC000278763264 563269600 /nfs/dbraw/zinc/26/96/00/563269600.db2.gz UAWHGLOJDZFWFE-HDMKZQKVSA-N 0 1 386.330 2.898 20 0 GFADMN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371307525 563271802 /nfs/dbraw/zinc/27/18/02/563271802.db2.gz FYGOIWZFSQMTJE-SNVBAGLBSA-N 0 1 384.661 2.878 20 0 GFADMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000371353680 563274278 /nfs/dbraw/zinc/27/42/78/563274278.db2.gz JMXGVNMCZZEAOE-VIFPVBQESA-N 0 1 387.237 2.713 20 0 GFADMN 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NC(=O)CC1(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCC1 ZINC000660111469 565253476 /nfs/dbraw/zinc/25/34/76/565253476.db2.gz FXWZVXNVWIFOFZ-UHFFFAOYSA-N 0 1 380.844 2.722 20 0 GFADMN COCCN1CCC[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)C1 ZINC000592099472 565255824 /nfs/dbraw/zinc/25/58/24/565255824.db2.gz OYVWZXIFOBBTLL-AWEZNQCLSA-N 0 1 380.286 2.771 20 0 GFADMN COC(=O)C1(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)CCCCC1 ZINC000592277326 565266276 /nfs/dbraw/zinc/26/62/76/565266276.db2.gz PVRXSFFIRBMFPP-QGZVFWFLSA-N 0 1 397.313 2.863 20 0 GFADMN CN(Cc1ccc(Br)cc1F)C[C@@H](O)COC[C@H]1CCCO1 ZINC000639922501 565268226 /nfs/dbraw/zinc/26/82/26/565268226.db2.gz YDEICTJILRHSQX-HUUCEWRRSA-N 0 1 376.266 2.577 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1cc(F)ccc1I ZINC000592318073 565269247 /nfs/dbraw/zinc/26/92/47/565269247.db2.gz KRGARXWXDOYSCE-NSHDSACASA-N 0 1 376.213 2.644 20 0 GFADMN O=C(CCc1nc([C@@H]2CCCN2)no1)c1ccc(I)cc1 ZINC000592357417 565271473 /nfs/dbraw/zinc/27/14/73/565271473.db2.gz BKQPDMVRLFJPFN-LBPRGKRZSA-N 0 1 397.216 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O=C(Nc1cc(Br)cc(Cl)c1[O-])c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662511171 565373383 /nfs/dbraw/zinc/37/33/83/565373383.db2.gz JCQYJLZLQXOHAD-SSDOTTSWSA-N 0 1 385.649 2.860 20 0 GFADMN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662927005 565389710 /nfs/dbraw/zinc/38/97/10/565389710.db2.gz YLIKBKHRDTXONP-HUUCEWRRSA-N 0 1 390.286 2.628 20 0 GFADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(C)sc1C(=O)OC ZINC000594694858 565407594 /nfs/dbraw/zinc/40/75/94/565407594.db2.gz BYLVLTJYOICTTH-UHFFFAOYSA-N 0 1 387.435 2.586 20 0 GFADMN COC(=O)c1sc(C)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000594696695 565408303 /nfs/dbraw/zinc/40/83/03/565408303.db2.gz LNJIKZFHVYCSAL-UHFFFAOYSA-N 0 1 389.426 2.800 20 0 GFADMN Cc1nc(C)c(Br)c(NCc2ccc(N3CCN(C)CC3)nc2)n1 ZINC000663378529 565416081 /nfs/dbraw/zinc/41/60/81/565416081.db2.gz PQRLWIHVVDZPEJ-UHFFFAOYSA-N 0 1 391.317 2.615 20 0 GFADMN CC(C)[C@H](CNc1nc(C2CC2)ncc1Br)N1CCN(C)CC1 ZINC000663375966 565416457 /nfs/dbraw/zinc/41/64/57/565416457.db2.gz FCWWXLQTEVZWBT-HNNXBMFYSA-N 0 1 382.350 2.800 20 0 GFADMN C[C@@H](c1ccc(F)c(Br)c1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000642940136 565420065 /nfs/dbraw/zinc/42/00/65/565420065.db2.gz LODOTYXFZIWDSP-SDBXPKJASA-N 0 1 381.205 2.535 20 0 GFADMN CCOC(=O)c1csc([C@@H]2CCCN2S(=O)(=O)c2ccccc2O)n1 ZINC000594781931 565420222 /nfs/dbraw/zinc/42/02/22/565420222.db2.gz XKYQPCNDLWNTGG-LBPRGKRZSA-N 0 1 382.463 2.551 20 0 GFADMN CN(CC1CN(C)C1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621505816 565428084 /nfs/dbraw/zinc/42/80/84/565428084.db2.gz JPFJWQQVOINDTJ-UHFFFAOYSA-N 0 1 376.245 2.744 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621812877 565443111 /nfs/dbraw/zinc/44/31/11/565443111.db2.gz ASFGSANYENAVKA-UHFFFAOYSA-N 0 1 379.258 2.513 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000622207542 565467320 /nfs/dbraw/zinc/46/73/20/565467320.db2.gz KEYBDUSXYWSSKT-GFCCVEGCSA-N 0 1 391.256 2.625 20 0 GFADMN C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@H]2C1 ZINC000644301122 565471455 /nfs/dbraw/zinc/47/14/55/565471455.db2.gz SAIJJKJTFDHINA-PELKAZGASA-N 0 1 397.697 2.566 20 0 GFADMN CN1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@H]2C1 ZINC000644301122 565471459 /nfs/dbraw/zinc/47/14/59/565471459.db2.gz SAIJJKJTFDHINA-PELKAZGASA-N 0 1 397.697 2.566 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000622609746 565472080 /nfs/dbraw/zinc/47/20/80/565472080.db2.gz HHOVOPMKJYBELH-HRCADAONSA-N 0 1 398.264 2.972 20 0 GFADMN CCOC1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCOCC1 ZINC000622773659 565474832 /nfs/dbraw/zinc/47/48/32/565474832.db2.gz DUIQNXDHHHAWPJ-UHFFFAOYSA-N 0 1 395.257 2.758 20 0 GFADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2cnn3cc(Br)cnc23)no1 ZINC000664956427 565486924 /nfs/dbraw/zinc/48/69/24/565486924.db2.gz PHIMOKGYSCUCGL-AOOOYVTPSA-N 0 1 377.246 2.915 20 0 GFADMN CC(C)(C)OC(=O)[C@@]1(NCc2nc3ccc(Br)cc3[nH]2)CCOC1 ZINC000595729254 565488122 /nfs/dbraw/zinc/48/81/22/565488122.db2.gz XKRKDUDDBPWVKV-QGZVFWFLSA-N 0 1 396.285 2.916 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)n[nH]1 ZINC000665112370 565489982 /nfs/dbraw/zinc/48/99/82/565489982.db2.gz ILTHLBBXZGUDQO-LLVKDONJSA-N 0 1 386.283 2.942 20 0 GFADMN CC[N@@H+](CCCOc1cccc(I)c1)[C@H](C)C(=O)[O-] ZINC000595883602 565496702 /nfs/dbraw/zinc/49/67/02/565496702.db2.gz ZTPUUDVAHJZVEJ-LLVKDONJSA-N 0 1 377.222 2.855 20 0 GFADMN O=C(CCOCC(F)(F)F)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000644888492 565501216 /nfs/dbraw/zinc/50/12/16/565501216.db2.gz YANPORUOXFLZLY-UHFFFAOYSA-N 0 1 376.766 2.753 20 0 GFADMN Ic1cc2ncnc(N3CCCc4[nH]ncc4C3)c2s1 ZINC000596000871 565504851 /nfs/dbraw/zinc/50/48/51/565504851.db2.gz IKMZZQSHHBHQFY-UHFFFAOYSA-N 0 1 397.245 2.972 20 0 GFADMN Cc1nc(C[S@@](=O)Cc2cc(Cl)ccc2I)n[nH]1 ZINC000596042916 565508840 /nfs/dbraw/zinc/50/88/40/565508840.db2.gz PQHWGTIAQQKJOX-SFHVURJKSA-N 0 1 395.653 2.820 20 0 GFADMN CC(C)(C)OC(=O)Cn1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000596046343 565509927 /nfs/dbraw/zinc/50/99/27/565509927.db2.gz QGONOKWYFKDQJS-UHFFFAOYSA-N 0 1 385.873 2.820 20 0 GFADMN CCOC(=O)[C@]1(C)CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000596050155 565510374 /nfs/dbraw/zinc/51/03/74/565510374.db2.gz ISMVFACHLHIUBB-JJRVBVJISA-N 0 1 383.286 2.687 20 0 GFADMN C[C@H]1SCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000645314739 565520267 /nfs/dbraw/zinc/52/02/67/565520267.db2.gz AKQINKXUGPWBFG-SKDRFNHKSA-N 0 1 396.314 2.927 20 0 GFADMN C[C@H]1SCC[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000645314739 565520271 /nfs/dbraw/zinc/52/02/71/565520271.db2.gz AKQINKXUGPWBFG-SKDRFNHKSA-N 0 1 396.314 2.927 20 0 GFADMN COc1ccc(Br)cc1C1(NC(=O)NCc2cc(C)[nH]n2)CC1 ZINC000645305560 565520483 /nfs/dbraw/zinc/52/04/83/565520483.db2.gz YCZDAINNTGCBFG-UHFFFAOYSA-N 0 1 379.258 2.978 20 0 GFADMN COCc1nc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)n[nH]1 ZINC000666118222 565522784 /nfs/dbraw/zinc/52/27/84/565522784.db2.gz SUQJQNWUPHMBEN-SNVBAGLBSA-N 0 1 382.262 2.616 20 0 GFADMN COCc1nnc(CNC(=O)N(C)[C@H](C)c2ccccc2Br)[nH]1 ZINC000666118222 565522787 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Cc1ccc([C@H](C)C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000822227586 599135877 /nfs/dbraw/zinc/13/58/77/599135877.db2.gz OFMQYUCZIJXWPR-INIZCTEOSA-N 0 1 394.479 2.606 20 0 GFADMN C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736243992 599139900 /nfs/dbraw/zinc/13/99/00/599139900.db2.gz BTKGUVPRGYBCBB-HUUCEWRRSA-N 0 1 394.483 2.501 20 0 GFADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736243992 599139902 /nfs/dbraw/zinc/13/99/02/599139902.db2.gz BTKGUVPRGYBCBB-HUUCEWRRSA-N 0 1 394.483 2.501 20 0 GFADMN C[C@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[C@H]1c1ccccc1 ZINC000736284589 599147068 /nfs/dbraw/zinc/14/70/68/599147068.db2.gz BLLHOHMJHSMOBU-HNAYVOBHSA-N 0 1 376.464 2.931 20 0 GFADMN C[C@H](C(=O)[O-])N(C)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000818075939 597480691 /nfs/dbraw/zinc/48/06/91/597480691.db2.gz WZZJSIURLUXGGK-VXGBXAGGSA-N 0 1 381.477 2.527 20 0 GFADMN CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620835 598158685 /nfs/dbraw/zinc/15/86/85/598158685.db2.gz UZZQWHDEGLEQBB-PMACEKPBSA-N 0 1 387.524 2.794 20 0 GFADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)cn1 ZINC000820330112 598179721 /nfs/dbraw/zinc/17/97/21/598179721.db2.gz LRNBTDOETUATEY-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)cn1 ZINC000820330112 598179722 /nfs/dbraw/zinc/17/97/22/598179722.db2.gz LRNBTDOETUATEY-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN C[C@H]1CN(CCCNc2ccc(C(F)(F)F)c(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820759333 607345916 /nfs/dbraw/zinc/34/59/16/607345916.db2.gz JKVQIWXAAYFVID-RYUDHWBXSA-N 0 1 384.406 2.797 20 0 GFADMN CC(C)Cc1ccc(CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000735851016 598249282 /nfs/dbraw/zinc/24/92/82/598249282.db2.gz XGUGXJGSTQKSOP-UHFFFAOYSA-N 0 1 377.496 2.782 20 0 GFADMN O[C@H](CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1F ZINC000738381816 598249670 /nfs/dbraw/zinc/24/96/70/598249670.db2.gz NATNSHGNJIVWRX-LJQANCHMSA-N 0 1 383.427 2.583 20 0 GFADMN CCCN(CCOc1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736480595 598251224 /nfs/dbraw/zinc/25/12/24/598251224.db2.gz SSMZWZMONBAVKD-INIZCTEOSA-N 0 1 394.479 2.985 20 0 GFADMN c1cc(OC2CCN(Cc3cccc4c3OCCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000738417936 598251571 /nfs/dbraw/zinc/25/15/71/598251571.db2.gz FIQAOKYRWHCREZ-UHFFFAOYSA-N 0 1 393.447 2.681 20 0 GFADMN CC(C)[C@H](CNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000735706709 598274591 /nfs/dbraw/zinc/27/45/91/598274591.db2.gz CPFDXGFLRSFPGK-HNNXBMFYSA-N 0 1 384.406 2.654 20 0 GFADMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737285475 598283695 /nfs/dbraw/zinc/28/36/95/598283695.db2.gz SMKCBSKIUJTWBL-UHFFFAOYSA-N 0 1 389.828 2.506 20 0 GFADMN Cc1ccc2nc(SC[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000737372738 598363297 /nfs/dbraw/zinc/36/32/97/598363297.db2.gz IVZDMXAJNJCOOR-CYBMUJFWSA-N 0 1 382.449 2.583 20 0 GFADMN COC1CC[NH+](C2(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)CCCC2)CC1 ZINC000736960002 598580461 /nfs/dbraw/zinc/58/04/61/598580461.db2.gz CPIZKWSSMQOMPP-UHFFFAOYSA-N 0 1 391.907 2.751 20 0 GFADMN COC1CC[NH+](C2(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)CCCC2)CC1 ZINC000736960002 598580463 /nfs/dbraw/zinc/58/04/63/598580463.db2.gz CPIZKWSSMQOMPP-UHFFFAOYSA-N 0 1 391.907 2.751 20 0 GFADMN O=S(=O)(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1Br ZINC000738342195 598596109 /nfs/dbraw/zinc/59/61/09/598596109.db2.gz OOEJCEIOBCWELP-UHFFFAOYSA-N 0 1 398.217 2.569 20 0 GFADMN CCc1cccc(C)c1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736701276 598720867 /nfs/dbraw/zinc/72/08/67/598720867.db2.gz YQEZPXHIAJMXHW-UHFFFAOYSA-N 0 1 388.431 2.691 20 0 GFADMN COc1cccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1 ZINC000821877437 599305932 /nfs/dbraw/zinc/30/59/32/599305932.db2.gz JZGDFVOENQBBHN-UHFFFAOYSA-N 0 1 399.354 2.695 20 0 GFADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ncnc3sccc32)CC1 ZINC000736201312 599310301 /nfs/dbraw/zinc/31/03/01/599310301.db2.gz WXORASHYJWBHRQ-CYBMUJFWSA-N 0 1 392.492 2.755 20 0 GFADMN Cc1cccnc1[C@@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436036 599355764 /nfs/dbraw/zinc/35/57/64/599355764.db2.gz QNECVTSGNZQFOL-PBHICJAKSA-N 0 1 379.468 2.884 20 0 GFADMN C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820456144 599369073 /nfs/dbraw/zinc/36/90/73/599369073.db2.gz QKTJZGAROBLQRK-MRXNPFEDSA-N 0 1 378.480 2.915 20 0 GFADMN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844415 599390587 /nfs/dbraw/zinc/39/05/87/599390587.db2.gz HLHAFCBJVWWBKX-OLZOCXBDSA-N 0 1 378.436 2.747 20 0 GFADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431172 599421358 /nfs/dbraw/zinc/42/13/58/599421358.db2.gz BRTPYIVTXBZHQE-CHWSQXEVSA-N 0 1 376.461 2.585 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1-c1nn[nH]n1 ZINC000821969589 599545318 /nfs/dbraw/zinc/54/53/18/599545318.db2.gz BKSRZTHBJMIPFH-YGRLFVJLSA-N 0 1 382.449 2.522 20 0 GFADMN O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000823252987 599692935 /nfs/dbraw/zinc/69/29/35/599692935.db2.gz CNKJGNSCRWKZNZ-IBGZPJMESA-N 0 1 376.464 2.538 20 0 GFADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000736422544 599703771 /nfs/dbraw/zinc/70/37/71/599703771.db2.gz RNRUXNLNYLJIBM-LJQANCHMSA-N 0 1 375.513 2.836 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@H+](Cc3occc3C(=O)[O-])CC2)cc1 ZINC000737987192 599716777 /nfs/dbraw/zinc/71/67/77/599716777.db2.gz SZHUSWYOKNLMMX-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3occc3C(=O)[O-])CC2)cc1 ZINC000737987192 599716780 /nfs/dbraw/zinc/71/67/80/599716780.db2.gz SZHUSWYOKNLMMX-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000736199278 599717482 /nfs/dbraw/zinc/71/74/82/599717482.db2.gz HZDQVLQENGKQPD-MRXNPFEDSA-N 0 1 399.491 2.918 20 0 GFADMN Cc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000738615050 599741756 /nfs/dbraw/zinc/74/17/56/599741756.db2.gz KMNZPMBBDSATEW-UHFFFAOYSA-N 0 1 390.484 2.748 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000736952914 599784921 /nfs/dbraw/zinc/78/49/21/599784921.db2.gz VZBYXNIPSWEGDK-CQSZACIVSA-N 0 1 395.525 2.630 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000736952914 599784922 /nfs/dbraw/zinc/78/49/22/599784922.db2.gz VZBYXNIPSWEGDK-CQSZACIVSA-N 0 1 395.525 2.630 20 0 GFADMN COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000738125813 599788309 /nfs/dbraw/zinc/78/83/09/599788309.db2.gz BHJYMBZCXFCDMF-UXHICEINSA-N 0 1 394.471 2.870 20 0 GFADMN COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000738125813 599788312 /nfs/dbraw/zinc/78/83/12/599788312.db2.gz BHJYMBZCXFCDMF-UXHICEINSA-N 0 1 394.471 2.870 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000737413542 599793345 /nfs/dbraw/zinc/79/33/45/599793345.db2.gz PVJMZMLANYDIST-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000737413542 599793346 /nfs/dbraw/zinc/79/33/46/599793346.db2.gz PVJMZMLANYDIST-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN Cc1cscc1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826320981 607396846 /nfs/dbraw/zinc/39/68/46/607396846.db2.gz MQFXMUSDALCFSG-UHFFFAOYSA-N 0 1 397.508 2.976 20 0 GFADMN CC[NH+]1CCN(C[C@H](C)CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000573850350 599853746 /nfs/dbraw/zinc/85/37/46/599853746.db2.gz IIJMHDNPFMVNOB-GFCCVEGCSA-N 0 1 391.541 2.692 20 0 GFADMN C[C@@H](C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1)C(=O)[O-] ZINC000736580986 599893523 /nfs/dbraw/zinc/89/35/23/599893523.db2.gz GXOYAGDHVTXQMS-NSHDSACASA-N 0 1 379.254 2.907 20 0 GFADMN C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737454161 599927634 /nfs/dbraw/zinc/92/76/34/599927634.db2.gz ATJZFNPMCINWNJ-OAHLLOKOSA-N 0 1 381.219 2.587 20 0 GFADMN Cn1cccc1C(=O)N1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000659804975 599937463 /nfs/dbraw/zinc/93/74/63/599937463.db2.gz JFEPHJSSNGZNNN-UHFFFAOYSA-N 0 1 383.473 2.896 20 0 GFADMN Cc1cnn(CC2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])CC2)c1 ZINC000738333071 599970666 /nfs/dbraw/zinc/97/06/66/599970666.db2.gz XCZKROMPPAGLIH-UHFFFAOYSA-N 0 1 390.509 2.919 20 0 GFADMN Cc1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000738368933 599973968 /nfs/dbraw/zinc/97/39/68/599973968.db2.gz IWYZXHLIFRJZBS-ZDUSSCGKSA-N 0 1 388.493 2.716 20 0 GFADMN Cc1ccc(N2CCC(C(=O)OCc3cn4cccc(C(=O)[O-])c4n3)CC2)[nH+]c1 ZINC000738614346 599988593 /nfs/dbraw/zinc/98/85/93/599988593.db2.gz KOYYPZQYJWNXST-UHFFFAOYSA-N 0 1 394.431 2.696 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000739628314 599993569 /nfs/dbraw/zinc/99/35/69/599993569.db2.gz ZFFVORWIIXRBIZ-UGKGYDQZSA-N 0 1 392.499 2.979 20 0 GFADMN COC(=O)c1cccc(CN2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000737706825 600007840 /nfs/dbraw/zinc/00/78/40/600007840.db2.gz BJWWPFKDRCCURE-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN COC(=O)c1cccc(C[N@@H+]2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000737706825 600007844 /nfs/dbraw/zinc/00/78/44/600007844.db2.gz BJWWPFKDRCCURE-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN COC(=O)c1cccc(C[N@H+]2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000737706825 600007850 /nfs/dbraw/zinc/00/78/50/600007850.db2.gz BJWWPFKDRCCURE-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1C(=O)[O-] ZINC000738442701 600018255 /nfs/dbraw/zinc/01/82/55/600018255.db2.gz YYHVHLBAFLEUBZ-UHFFFAOYSA-N 0 1 383.448 2.847 20 0 GFADMN CCc1ccc(C[N@H+](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737264941 600039103 /nfs/dbraw/zinc/03/91/03/600039103.db2.gz MTMNMKXUSWWKRK-OAQYLSRUSA-N 0 1 393.487 2.974 20 0 GFADMN CCc1ccc(C[N@@H+](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737264941 600039105 /nfs/dbraw/zinc/03/91/05/600039105.db2.gz MTMNMKXUSWWKRK-OAQYLSRUSA-N 0 1 393.487 2.974 20 0 GFADMN O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000739545763 600071356 /nfs/dbraw/zinc/07/13/56/600071356.db2.gz BURIYLFCLCVRFP-SFTDATJTSA-N 0 1 393.487 2.664 20 0 GFADMN CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302621 600097371 /nfs/dbraw/zinc/09/73/71/600097371.db2.gz GVAMWJJUHHXZCA-HOCLYGCPSA-N 0 1 385.468 2.511 20 0 GFADMN CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302621 600097374 /nfs/dbraw/zinc/09/73/74/600097374.db2.gz GVAMWJJUHHXZCA-HOCLYGCPSA-N 0 1 385.468 2.511 20 0 GFADMN C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840941 600111972 /nfs/dbraw/zinc/11/19/72/600111972.db2.gz VPEKSLCKCODRPH-QVKFZJNVSA-N 0 1 391.471 2.899 20 0 GFADMN C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840941 600111974 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TXGSAAADAJTIHA-PXNSSMCTSA-N 0 1 376.522 2.926 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000833223038 601023456 /nfs/dbraw/zinc/02/34/56/601023456.db2.gz TXGSAAADAJTIHA-PXNSSMCTSA-N 0 1 376.522 2.926 20 0 GFADMN CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3c4ccccc4sc3C(=O)[O-])C2)C1=O ZINC000826956628 601028102 /nfs/dbraw/zinc/02/81/02/601028102.db2.gz WJSFEKZYICSCKO-IBGZPJMESA-N 0 1 387.461 2.504 20 0 GFADMN COC(=O)c1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1C(=O)[O-] ZINC000831300676 601107709 /nfs/dbraw/zinc/10/77/09/601107709.db2.gz CNSMONPVHSQYTF-AWEZNQCLSA-N 0 1 391.468 2.805 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000832890109 601130878 /nfs/dbraw/zinc/13/08/78/601130878.db2.gz UBGJTNAJUFSLSY-UHFFFAOYSA-N 0 1 398.467 2.652 20 0 GFADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829150980 601139446 /nfs/dbraw/zinc/13/94/46/601139446.db2.gz PYGHXTJYXOYGDW-QGZVFWFLSA-N 0 1 385.468 2.518 20 0 GFADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829150980 601139447 /nfs/dbraw/zinc/13/94/47/601139447.db2.gz PYGHXTJYXOYGDW-QGZVFWFLSA-N 0 1 385.468 2.518 20 0 GFADMN O=C([O-])[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1cccc(F)c1 ZINC000833162988 601185676 /nfs/dbraw/zinc/18/56/76/601185676.db2.gz DETKSUUQEBGISH-SJORKVTESA-N 0 1 376.472 2.840 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000828177391 601195928 /nfs/dbraw/zinc/19/59/28/601195928.db2.gz PIHVUDWVZRAFDR-ZFWWWQNUSA-N 0 1 388.493 2.945 20 0 GFADMN COc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc1-c1nn[nH]n1 ZINC000826194130 607495285 /nfs/dbraw/zinc/49/52/85/607495285.db2.gz BSJPQDZYAKBYCX-KRWDZBQOSA-N 0 1 393.447 2.984 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000828176861 601213226 /nfs/dbraw/zinc/21/32/26/601213226.db2.gz LUZQULOFBIVXBX-QRQLOZEOSA-N 0 1 385.508 2.936 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000828214128 601224940 /nfs/dbraw/zinc/22/49/40/601224940.db2.gz IPKINFHOANTVHX-COLIAFHWSA-N 0 1 392.521 2.810 20 0 GFADMN C[C@@H](CCNS(=O)(=O)c1ccc(C(=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000379611370 601260865 /nfs/dbraw/zinc/26/08/65/601260865.db2.gz RJQKTWHQVHDUDT-ZDUSSCGKSA-N 0 1 382.507 2.635 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000832918862 601327778 /nfs/dbraw/zinc/32/77/78/601327778.db2.gz YORFNERXGVPRAV-MAUKXSAKSA-N 0 1 390.480 2.680 20 0 GFADMN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829619057 601375198 /nfs/dbraw/zinc/37/51/98/601375198.db2.gz RDFBAPHVTHINPW-FOIQADDNSA-N 0 1 382.460 2.813 20 0 GFADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829619057 601375199 /nfs/dbraw/zinc/37/51/99/601375199.db2.gz RDFBAPHVTHINPW-FOIQADDNSA-N 0 1 382.460 2.813 20 0 GFADMN 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O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000663148989 601475662 /nfs/dbraw/zinc/47/56/62/601475662.db2.gz VHRPMXDQKSNFJX-ICSRJNTNSA-N 0 1 379.460 2.504 20 0 GFADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccnc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC000824193022 607509578 /nfs/dbraw/zinc/50/95/78/607509578.db2.gz QNWGNUWXWHMFSH-OAHLLOKOSA-N 0 1 389.504 2.633 20 0 GFADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccnc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC000824193022 607509580 /nfs/dbraw/zinc/50/95/80/607509580.db2.gz QNWGNUWXWHMFSH-OAHLLOKOSA-N 0 1 389.504 2.633 20 0 GFADMN CC(C)[C@@H](CC[N@H+](C)Cc1ccnc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000824193022 607509582 /nfs/dbraw/zinc/50/95/82/607509582.db2.gz QNWGNUWXWHMFSH-OAHLLOKOSA-N 0 1 389.504 2.633 20 0 GFADMN CC(C)[C@@H](CC[N@@H+](C)Cc1ccnc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000824193022 607509583 /nfs/dbraw/zinc/50/95/83/607509583.db2.gz QNWGNUWXWHMFSH-OAHLLOKOSA-N 0 1 389.504 2.633 20 0 GFADMN 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RAOOJXNQGPMIDI-NRFANRHFSA-N 0 1 388.414 2.743 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2CCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129028 601733684 /nfs/dbraw/zinc/73/36/84/601733684.db2.gz SMNMEZGQPNGANF-NFBKMPQASA-N 0 1 378.472 2.952 20 0 GFADMN COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000832169929 601740118 /nfs/dbraw/zinc/74/01/18/601740118.db2.gz YSTZTFXOCOLRHR-QFIPXVFZSA-N 0 1 398.459 2.553 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1OC ZINC000831902588 601758652 /nfs/dbraw/zinc/75/86/52/601758652.db2.gz BVCOVADRHJTTIR-ZDUSSCGKSA-N 0 1 379.457 2.501 20 0 GFADMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC000828422099 601767695 /nfs/dbraw/zinc/76/76/95/601767695.db2.gz HSHYXGIPKYNXRQ-YPMHNXCESA-N 0 1 395.525 2.527 20 0 GFADMN COc1ccc(OC)c(CN2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)c1 ZINC000832435262 601804632 /nfs/dbraw/zinc/80/46/32/601804632.db2.gz DDLVPZFNZNWVRU-UHFFFAOYSA-N 0 1 376.478 2.781 20 0 GFADMN C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccsc1C(=O)[O-] ZINC000830777205 601809541 /nfs/dbraw/zinc/80/95/41/601809541.db2.gz VKPQIEBKCPDBAK-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccsc1C(=O)[O-] ZINC000830777205 601809543 /nfs/dbraw/zinc/80/95/43/601809543.db2.gz VKPQIEBKCPDBAK-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN C[C@@H]1C[N@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828303475 601816137 /nfs/dbraw/zinc/81/61/37/601816137.db2.gz SOVOWDOHFUVLKL-UKRRQHHQSA-N 0 1 379.530 2.595 20 0 GFADMN C[C@@H]1C[N@@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828303475 601816139 /nfs/dbraw/zinc/81/61/39/601816139.db2.gz SOVOWDOHFUVLKL-UKRRQHHQSA-N 0 1 379.530 2.595 20 0 GFADMN C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828182990 601878439 /nfs/dbraw/zinc/87/84/39/601878439.db2.gz BCIZMSFYTRXXKC-MAUKXSAKSA-N 0 1 393.443 2.989 20 0 GFADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828182990 601878440 /nfs/dbraw/zinc/87/84/40/601878440.db2.gz BCIZMSFYTRXXKC-MAUKXSAKSA-N 0 1 393.443 2.989 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000739580544 601894246 /nfs/dbraw/zinc/89/42/46/601894246.db2.gz VQHZSKVCMGIULD-AEFFLSMTSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000739580548 601894255 /nfs/dbraw/zinc/89/42/55/601894255.db2.gz VQHZSKVCMGIULD-WMZOPIPTSA-N 0 1 377.460 2.639 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1F ZINC000740235687 601908093 /nfs/dbraw/zinc/90/80/93/601908093.db2.gz ICLDENYPVIMPNW-GOSISDBHSA-N 0 1 382.395 2.945 20 0 GFADMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000740236149 601915094 /nfs/dbraw/zinc/91/50/94/601915094.db2.gz KSKLLWAHNVFNGO-SFHVURJKSA-N 0 1 378.432 2.676 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832123989 601928495 /nfs/dbraw/zinc/92/84/95/601928495.db2.gz HBGIWRAWLNDFNP-SFHVURJKSA-N 0 1 375.450 2.554 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832123989 601928497 /nfs/dbraw/zinc/92/84/97/601928497.db2.gz HBGIWRAWLNDFNP-SFHVURJKSA-N 0 1 375.450 2.554 20 0 GFADMN COc1ccc(-c2nc(C[N@@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)cc1OC ZINC000739877851 601936057 /nfs/dbraw/zinc/93/60/57/601936057.db2.gz CHJFBEXTPWZOIE-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN COc1ccc(-c2nc(C[N@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)cc1OC ZINC000739877851 601936060 /nfs/dbraw/zinc/93/60/60/601936060.db2.gz CHJFBEXTPWZOIE-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000740644764 601937068 /nfs/dbraw/zinc/93/70/68/601937068.db2.gz AXEPORYSHITEDI-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000740644764 601937069 /nfs/dbraw/zinc/93/70/69/601937069.db2.gz AXEPORYSHITEDI-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(C(=O)[O-])s3)C2=O)c1 ZINC000832088056 601962009 /nfs/dbraw/zinc/96/20/09/601962009.db2.gz IYQCEDFFRBHUHV-INIZCTEOSA-N 0 1 390.461 2.701 20 0 GFADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C(=O)[O-])s3)C2=O)c1 ZINC000832088056 601962012 /nfs/dbraw/zinc/96/20/12/601962012.db2.gz IYQCEDFFRBHUHV-INIZCTEOSA-N 0 1 390.461 2.701 20 0 GFADMN O=C([O-])NCCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740672353 602022771 /nfs/dbraw/zinc/02/27/71/602022771.db2.gz ZHDQVJYLAZQUOF-FQEVSTJZSA-N 0 1 396.491 2.570 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000831919648 602027872 /nfs/dbraw/zinc/02/78/72/602027872.db2.gz ZDLLOYDFNWEDCL-QGZVFWFLSA-N 0 1 393.480 2.558 20 0 GFADMN C[N@H+]1CCC[C@H](N2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000830935312 602044012 /nfs/dbraw/zinc/04/40/12/602044012.db2.gz VMUPIZJDJYUMHF-IRXDYDNUSA-N 0 1 386.323 2.831 20 0 GFADMN NC(=O)c1cc([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000833084668 602046132 /nfs/dbraw/zinc/04/61/32/602046132.db2.gz MEKAFVNUEZSXBD-RFAUZJTJSA-N 0 1 397.262 2.821 20 0 GFADMN O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740637179 602151182 /nfs/dbraw/zinc/15/11/82/602151182.db2.gz TZCIRWHZPJGUOU-CVEARBPZSA-N 0 1 394.541 2.649 20 0 GFADMN O=C([O-])CCCNC(=S)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000833228633 602153044 /nfs/dbraw/zinc/15/30/44/602153044.db2.gz ZNLFRKMHDWBUNJ-ZWKOTPCHSA-N 0 1 375.538 2.712 20 0 GFADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739330643 602178469 /nfs/dbraw/zinc/17/84/69/602178469.db2.gz SJGBZPOQFMJYIY-FUHWJXTLSA-N 0 1 382.549 2.918 20 0 GFADMN O=C([O-])COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc12 ZINC000833257754 602223664 /nfs/dbraw/zinc/22/36/64/602223664.db2.gz RZVLQRWNEFARQO-OAHLLOKOSA-N 0 1 383.448 2.909 20 0 GFADMN CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C1 ZINC000829049721 602241347 /nfs/dbraw/zinc/24/13/47/602241347.db2.gz FBPCZWXEYOSJMA-SFHVURJKSA-N 0 1 382.482 2.992 20 0 GFADMN O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc21 ZINC000740471773 602252947 /nfs/dbraw/zinc/25/29/47/602252947.db2.gz JRBMMFFLSXDFEZ-QGZVFWFLSA-N 0 1 380.448 2.973 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000739010551 602266103 /nfs/dbraw/zinc/26/61/03/602266103.db2.gz OJIPAUMWDNFNNS-XJKSGUPXSA-N 0 1 399.438 2.757 20 0 GFADMN CC[C@H](NC(=O)[O-])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739524691 602358891 /nfs/dbraw/zinc/35/88/91/602358891.db2.gz PSAVSZQLBSMISG-HNNXBMFYSA-N 0 1 387.402 2.786 20 0 GFADMN CN(C[C@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739638973 602379483 /nfs/dbraw/zinc/37/94/83/602379483.db2.gz XOKCWSCWOJBGRC-GFCCVEGCSA-N 0 1 389.525 2.974 20 0 GFADMN CN(C[C@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739638973 602379486 /nfs/dbraw/zinc/37/94/86/602379486.db2.gz XOKCWSCWOJBGRC-GFCCVEGCSA-N 0 1 389.525 2.974 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)nc(C)[nH+]1 ZINC000832891233 602383367 /nfs/dbraw/zinc/38/33/67/602383367.db2.gz MZIAGMQBWCDNBE-CQSZACIVSA-N 0 1 387.415 2.721 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738630557 602384678 /nfs/dbraw/zinc/38/46/78/602384678.db2.gz KRUYNNIYRJMRTQ-GFCCVEGCSA-N 0 1 385.411 2.937 20 0 GFADMN CN(CC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1)C(=O)[O-] ZINC000739652484 602413891 /nfs/dbraw/zinc/41/38/91/602413891.db2.gz VUQAEFKAEHNTRF-KRWDZBQOSA-N 0 1 396.919 2.974 20 0 GFADMN CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739251361 602443963 /nfs/dbraw/zinc/44/39/63/602443963.db2.gz CDCISQNBFPHEFS-IYBDPMFKSA-N 0 1 391.512 2.852 20 0 GFADMN CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739251361 602443965 /nfs/dbraw/zinc/44/39/65/602443965.db2.gz CDCISQNBFPHEFS-IYBDPMFKSA-N 0 1 391.512 2.852 20 0 GFADMN O=C([O-])NC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000740604753 602541004 /nfs/dbraw/zinc/54/10/04/602541004.db2.gz RZPUQPIOPHKTJT-RTBURBONSA-N 0 1 388.512 2.626 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000737929251 602543755 /nfs/dbraw/zinc/54/37/55/602543755.db2.gz NPKNHGHTCCZNGH-LJQANCHMSA-N 0 1 388.512 2.825 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118798 602557574 /nfs/dbraw/zinc/55/75/74/602557574.db2.gz SISGJSVKWMDHJM-RDTXWAMCSA-N 0 1 375.494 2.850 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118798 602557576 /nfs/dbraw/zinc/55/75/76/602557576.db2.gz SISGJSVKWMDHJM-RDTXWAMCSA-N 0 1 375.494 2.850 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737748078 602568864 /nfs/dbraw/zinc/56/88/64/602568864.db2.gz GGTBCLNFHUESLR-DLBZAZTESA-N 0 1 389.496 2.812 20 0 GFADMN CCCN(C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739350610 602618828 /nfs/dbraw/zinc/61/88/28/602618828.db2.gz JOHJLYMJZMMHKJ-HOCLYGCPSA-N 0 1 394.541 2.669 20 0 GFADMN CCCN(C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739350610 602618829 /nfs/dbraw/zinc/61/88/29/602618829.db2.gz JOHJLYMJZMMHKJ-HOCLYGCPSA-N 0 1 394.541 2.669 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000738835462 602638036 /nfs/dbraw/zinc/63/80/36/602638036.db2.gz RCGISQPBTHPUDD-GOSISDBHSA-N 0 1 382.549 2.965 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739110631 602641291 /nfs/dbraw/zinc/64/12/91/602641291.db2.gz NWXQZSRGXAHJHP-HOTGVXAUSA-N 0 1 376.501 2.653 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000739079181 602705565 /nfs/dbraw/zinc/70/55/65/602705565.db2.gz KQIGOSHGVDDFRP-XHSDSOJGSA-N 0 1 382.549 2.821 20 0 GFADMN O=C([O-])NCc1nc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000740684670 602710178 /nfs/dbraw/zinc/71/01/78/602710178.db2.gz QHVZAESTNKTBMV-HNNXBMFYSA-N 0 1 388.493 2.553 20 0 GFADMN O=C([O-])NCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000740640026 602710348 /nfs/dbraw/zinc/71/03/48/602710348.db2.gz HMSFCPKTMSNZLC-GOSISDBHSA-N 0 1 380.533 2.720 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739176362 602764411 /nfs/dbraw/zinc/76/44/11/602764411.db2.gz DBNCBBBEOVXEGA-CABZTGNLSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739176362 602764413 /nfs/dbraw/zinc/76/44/13/602764413.db2.gz DBNCBBBEOVXEGA-CABZTGNLSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739175169 602793544 /nfs/dbraw/zinc/79/35/44/602793544.db2.gz JRUVFHKIEGYQKB-KCPJHIHWSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@H]1NC(=O)[O-] ZINC000739175169 602793547 /nfs/dbraw/zinc/79/35/47/602793547.db2.gz JRUVFHKIEGYQKB-KCPJHIHWSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[C@H]1NC(=O)[O-] ZINC000739133239 602814048 /nfs/dbraw/zinc/81/40/48/602814048.db2.gz GVQBJEPJFZUOJR-CRAIPNDOSA-N 0 1 388.512 2.511 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739131054 602823920 /nfs/dbraw/zinc/82/39/20/602823920.db2.gz BIHJBFULXKOSAV-NZSAHSFTSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1NC(=O)[O-] ZINC000739132589 602824904 /nfs/dbraw/zinc/82/49/04/602824904.db2.gz FQXLVHJNFLXFPM-NZSAHSFTSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(NC(=O)[O-])CCCC3)c2)C[C@@H](C)O1 ZINC000739186054 602840890 /nfs/dbraw/zinc/84/08/90/602840890.db2.gz DIXBOJNHHFTDFY-HUUCEWRRSA-N 0 1 375.469 2.815 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739180869 602901249 /nfs/dbraw/zinc/90/12/49/602901249.db2.gz QANLVWOXESNWKX-IIDMSEBBSA-N 0 1 390.484 2.560 20 0 GFADMN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000739888698 603023982 /nfs/dbraw/zinc/02/39/82/603023982.db2.gz FVOGXPVPKDCMMI-QGZVFWFLSA-N 0 1 375.469 2.797 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)C1 ZINC000739111572 603078096 /nfs/dbraw/zinc/07/80/96/603078096.db2.gz QUGWPDYWYZOMQF-BEFAXECRSA-N 0 1 388.512 2.764 20 0 GFADMN C[C@@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)[O-] ZINC000824593820 603209813 /nfs/dbraw/zinc/20/98/13/603209813.db2.gz ZRTIKYHJPGHXNT-KRWDZBQOSA-N 0 1 381.476 2.966 20 0 GFADMN C[C@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000824908027 603306540 /nfs/dbraw/zinc/30/65/40/603306540.db2.gz PRJCCMRBECRVCJ-UZLBHIALSA-N 0 1 381.476 2.601 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000832757934 603404218 /nfs/dbraw/zinc/40/42/18/603404218.db2.gz QXRGMSKILJIEFL-ULQDDVLXSA-N 0 1 375.494 2.910 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000832757934 603404220 /nfs/dbraw/zinc/40/42/20/603404220.db2.gz QXRGMSKILJIEFL-ULQDDVLXSA-N 0 1 375.494 2.910 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000832758121 603404794 /nfs/dbraw/zinc/40/47/94/603404794.db2.gz XBLZIKGEHXCKLO-PCCBWWKXSA-N 0 1 384.476 2.690 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739175209 603414712 /nfs/dbraw/zinc/41/47/12/603414712.db2.gz QXDRPDYSHANKMZ-IAQYHMDHSA-N 0 1 388.295 2.930 20 0 GFADMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000830825056 603415045 /nfs/dbraw/zinc/41/50/45/603415045.db2.gz YPNPOAHSQKUWKJ-SFHVURJKSA-N 0 1 378.432 2.848 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000826067322 603457554 /nfs/dbraw/zinc/45/75/54/603457554.db2.gz KANVFWBSFUEOAP-UKRRQHHQSA-N 0 1 388.493 2.551 20 0 GFADMN C[C@H]1C[C@H](NC(=O)NCC2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825793955 603479041 /nfs/dbraw/zinc/47/90/41/603479041.db2.gz CYTZDIFXVYUEPR-QFBILLFUSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCC(CNC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794354 603486124 /nfs/dbraw/zinc/48/61/24/603486124.db2.gz JNCVKEOZNQNJSP-VQIMIIECSA-N 0 1 388.512 2.729 20 0 GFADMN C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828161407 603494645 /nfs/dbraw/zinc/49/46/45/603494645.db2.gz FYNPWRTWZCLSFO-VQTJNVASSA-N 0 1 384.476 2.838 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000824329524 603507768 /nfs/dbraw/zinc/50/77/68/603507768.db2.gz HEBBIEMNLBNVIV-LJQANCHMSA-N 0 1 375.513 2.834 20 0 GFADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C1 ZINC000824356799 603530360 /nfs/dbraw/zinc/53/03/60/603530360.db2.gz ICQGFMNSMRDPAM-INIZCTEOSA-N 0 1 386.496 2.759 20 0 GFADMN CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(NC(=O)[O-])nc1 ZINC000823779216 603540610 /nfs/dbraw/zinc/54/06/10/603540610.db2.gz XEHPGEWZFQSYKX-UHFFFAOYSA-N 0 1 392.481 2.538 20 0 GFADMN O=C([O-])NCC1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCCC1 ZINC000832433846 603647320 /nfs/dbraw/zinc/64/73/20/603647320.db2.gz XRYKPNZDXLPCSS-UHFFFAOYSA-N 0 1 385.508 2.864 20 0 GFADMN O=C([O-])NC[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000832584914 603730305 /nfs/dbraw/zinc/73/03/05/603730305.db2.gz YYZBKNFUJCXBPX-HXUWFJFHSA-N 0 1 381.476 2.805 20 0 GFADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000824256652 603742611 /nfs/dbraw/zinc/74/26/11/603742611.db2.gz 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2.569 20 0 GFADMN CN(C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000827793607 603899741 /nfs/dbraw/zinc/89/97/41/603899741.db2.gz CPFPXUMETCZKJR-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[N@@H+](C)C3CCN(C(=O)[O-])CC3)sc2c1 ZINC000827448509 603989978 /nfs/dbraw/zinc/98/99/78/603989978.db2.gz PLGZHOWEFQRKTB-UHFFFAOYSA-N 0 1 392.481 2.708 20 0 GFADMN CN(Cc1nc(C(C)(C)NC(=O)[O-])no1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000828416821 603997836 /nfs/dbraw/zinc/99/78/36/603997836.db2.gz PJSFNICCKROVGP-MRXNPFEDSA-N 0 1 387.484 2.669 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000828261040 604070959 /nfs/dbraw/zinc/07/09/59/604070959.db2.gz YFIRXJZHSDBXON-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000828261033 604071139 /nfs/dbraw/zinc/07/11/39/604071139.db2.gz YFIRXJZHSDBXON-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN 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ZINC000830805921 604467511 /nfs/dbraw/zinc/46/75/11/604467511.db2.gz DDWVTEVHJODVSB-UHFFFAOYSA-N 0 1 389.315 2.798 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000830805921 604467513 /nfs/dbraw/zinc/46/75/13/604467513.db2.gz DDWVTEVHJODVSB-UHFFFAOYSA-N 0 1 389.315 2.798 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000832040274 604474644 /nfs/dbraw/zinc/47/46/44/604474644.db2.gz BQUYTEHZXIRMHH-RDTXWAMCSA-N 0 1 392.496 2.704 20 0 GFADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000827664283 604482035 /nfs/dbraw/zinc/48/20/35/604482035.db2.gz FCMVEFJUBCGUSJ-CJNGLKHVSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000827664283 604482036 /nfs/dbraw/zinc/48/20/36/604482036.db2.gz FCMVEFJUBCGUSJ-CJNGLKHVSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C)CC3CCOCC3)c2C(=O)[O-])C1 ZINC000833616537 604490458 /nfs/dbraw/zinc/49/04/58/604490458.db2.gz CLRFPAKFHWIVLQ-GFCCVEGCSA-N 0 1 380.510 2.868 20 0 GFADMN CSCC[C@@H](NC(=O)[O-])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000829723439 604507179 /nfs/dbraw/zinc/50/71/79/604507179.db2.gz RXNSMQOHPUKPQM-NVXWUHKLSA-N 0 1 385.574 2.879 20 0 GFADMN Cc1cncc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832985903 604557646 /nfs/dbraw/zinc/55/76/46/604557646.db2.gz CJVYSYAITBCUDB-FMFFHWJCSA-N 0 1 379.460 2.639 20 0 GFADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000833722644 604616432 /nfs/dbraw/zinc/61/64/32/604616432.db2.gz ZXIPXNYJFCMKLI-SFHVURJKSA-N 0 1 377.466 2.797 20 0 GFADMN CC(C)Oc1cccc(C[N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)[O-])c1 ZINC000833507618 604620768 /nfs/dbraw/zinc/62/07/68/604620768.db2.gz XRYCXNBTZLBRRP-WQRHYEAKSA-N 0 1 378.494 2.797 20 0 GFADMN C[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694498 604675978 /nfs/dbraw/zinc/67/59/78/604675978.db2.gz UXRKRJXAOSMYHY-QGZVFWFLSA-N 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/nfs/dbraw/zinc/17/87/99/606178799.db2.gz CHTBSXFETWGUBI-CXAGYDPISA-N 0 1 399.476 2.787 20 0 GFADMN O=S(=O)(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589158 606205127 /nfs/dbraw/zinc/20/51/27/606205127.db2.gz QLXRALBQRMAGOB-UHFFFAOYSA-N 0 1 382.405 2.686 20 0 GFADMN C[C@@](CO)(NCc1cc(-c2nn[nH]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000820280938 606219503 /nfs/dbraw/zinc/21/95/03/606219503.db2.gz PSOYPHXZUNUZOW-HNNXBMFYSA-N 0 1 383.399 2.944 20 0 GFADMN CCS[C@@H]1CCCCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454958 606322339 /nfs/dbraw/zinc/32/23/39/606322339.db2.gz HVKVJOCIWDVBKT-OCCSQVGLSA-N 0 1 392.554 2.641 20 0 GFADMN CC1(C)CN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000820601996 606378296 /nfs/dbraw/zinc/37/82/96/606378296.db2.gz XOTRNRVLMXSCHF-PKOBYXMFSA-N 0 1 379.464 2.690 20 0 GFADMN c1ccc(C[NH+]2CCC(OCCCNc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000823779367 606403329 /nfs/dbraw/zinc/40/33/29/606403329.db2.gz BGCVBSSDKQFWCT-UHFFFAOYSA-N 0 1 393.495 2.745 20 0 GFADMN c1ccc(C[NH+]2CCC(OCCCNc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000823779367 606403331 /nfs/dbraw/zinc/40/33/31/606403331.db2.gz BGCVBSSDKQFWCT-UHFFFAOYSA-N 0 1 393.495 2.745 20 0 GFADMN Cc1cc([C@H](C)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191726 606416717 /nfs/dbraw/zinc/41/67/17/606416717.db2.gz PHTVFXJNFOQUCX-SCLBCKFNSA-N 0 1 380.427 2.770 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819939942 606422595 /nfs/dbraw/zinc/42/25/95/606422595.db2.gz LUDYXYULTIRKRO-WCQYABFASA-N 0 1 378.502 2.711 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819939942 606422597 /nfs/dbraw/zinc/42/25/97/606422597.db2.gz LUDYXYULTIRKRO-WCQYABFASA-N 0 1 378.502 2.711 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000822733196 606487762 /nfs/dbraw/zinc/48/77/62/606487762.db2.gz SCHIITXIPKZEIY-UHFFFAOYSA-N 0 1 375.383 2.571 20 0 GFADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823355340 606538584 /nfs/dbraw/zinc/53/85/84/606538584.db2.gz AOTJZNSRFQFRRD-GFCCVEGCSA-N 0 1 381.421 2.908 20 0 GFADMN CC1(C)CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1ccccc1 ZINC000820601209 606551769 /nfs/dbraw/zinc/55/17/69/606551769.db2.gz DWNIYWLOPNFISO-UHFFFAOYSA-N 0 1 390.491 2.532 20 0 GFADMN CC[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N(CC)CC ZINC000820848386 606560543 /nfs/dbraw/zinc/56/05/43/606560543.db2.gz WUCQVNAIBZMEPX-ZDUSSCGKSA-N 0 1 383.399 2.632 20 0 GFADMN C[C@@H]1CC/C(=C\C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678221 606617513 /nfs/dbraw/zinc/61/75/13/606617513.db2.gz TZFYIEDMQHHEDV-WDMNMGCXSA-N 0 1 380.496 2.647 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820704880 606670155 /nfs/dbraw/zinc/67/01/55/606670155.db2.gz QIZROYDYWGEAFP-LBPRGKRZSA-N 0 1 378.427 2.529 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820704877 606670170 /nfs/dbraw/zinc/67/01/70/606670170.db2.gz QIZROYDYWGEAFP-GFCCVEGCSA-N 0 1 378.427 2.529 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877370 606713421 /nfs/dbraw/zinc/71/34/21/606713421.db2.gz UTNHQZNLLSZKBE-UKRRQHHQSA-N 0 1 380.427 2.822 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000819877231 606717244 /nfs/dbraw/zinc/71/72/44/606717244.db2.gz RMMHILVPXAVUAN-QVKFZJNVSA-N 0 1 376.464 2.857 20 0 GFADMN CC[C@@H](C)COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000820870102 606750550 /nfs/dbraw/zinc/75/05/50/606750550.db2.gz MTQMDYDTBKYHME-SSDOTTSWSA-N 0 1 391.375 2.668 20 0 GFADMN FC(F)Oc1cc2c(cc1CNCc1ccc(-c3nn[nH]n3)s1)OCO2 ZINC000822731260 606772827 /nfs/dbraw/zinc/77/28/27/606772827.db2.gz BEHRLENFQIPAOQ-UHFFFAOYSA-N 0 1 381.364 2.548 20 0 GFADMN CN(C)C1(C(=O)Nc2ccc(OCc3cccc(-c4nn[nH]n4)c3)cc2)CCC1 ZINC000821581498 606834735 /nfs/dbraw/zinc/83/47/35/606834735.db2.gz MXTINWKVHAVOGI-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN CC(C)C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000820086774 606902160 /nfs/dbraw/zinc/90/21/60/606902160.db2.gz FJGOLUSSBCPXKU-VQTJNVASSA-N 0 1 399.470 2.731 20 0 GFADMN CC=C(C=CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC ZINC000820826978 606986993 /nfs/dbraw/zinc/98/69/93/606986993.db2.gz PMDNEMRLPASPBU-GJSHGWRVSA-N 0 1 380.496 2.814 20 0 GFADMN CC[C@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)N(C)C ZINC000820842427 607021509 /nfs/dbraw/zinc/02/15/09/607021509.db2.gz MTXGJHNJKMZFKA-GOSISDBHSA-N 0 1 380.452 2.724 20 0 GFADMN OCCCN(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823721732 607147934 /nfs/dbraw/zinc/14/79/34/607147934.db2.gz ILZVGRNDSAKFAW-UHFFFAOYSA-N 0 1 389.406 2.853 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c(Cl)cc1F ZINC000822211485 607155696 /nfs/dbraw/zinc/15/56/96/607155696.db2.gz ATEHBTXSGSRKKM-UHFFFAOYSA-N 0 1 385.783 2.908 20 0 GFADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(CSC2CCCCC2)c1 ZINC000823136185 607217996 /nfs/dbraw/zinc/21/79/96/607217996.db2.gz NQSRUJIBORKVAV-UHFFFAOYSA-N 0 1 398.496 2.663 20 0 GFADMN CC[C@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825052454 608020719 /nfs/dbraw/zinc/02/07/19/608020719.db2.gz XBTMXAXFZSBXDL-BBRMVZONSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825052454 608020720 /nfs/dbraw/zinc/02/07/20/608020720.db2.gz XBTMXAXFZSBXDL-BBRMVZONSA-N 0 1 396.499 2.510 20 0 GFADMN O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826470327 608206099 /nfs/dbraw/zinc/20/60/99/608206099.db2.gz MHONGDAZDKINEL-ZDUSSCGKSA-N 0 1 392.448 2.691 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3ccc(-c4nn[nH]n4)cc3OC)n2)cc1 ZINC000826181732 608263230 /nfs/dbraw/zinc/26/32/30/608263230.db2.gz LTSVLFDHUVGXSJ-UHFFFAOYSA-N 0 1 395.448 2.961 20 0 GFADMN c1cc2c(s1)CCN(CCNc1nc3c(cc1-c1nn[nH]n1)CCCC3)C2 ZINC000826518341 608278007 /nfs/dbraw/zinc/27/80/07/608278007.db2.gz KAGCDNJTYWUWLK-UHFFFAOYSA-N 0 1 381.509 2.672 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1-c1nn[nH]n1 ZINC000826332321 608315351 /nfs/dbraw/zinc/31/53/51/608315351.db2.gz QHJLNJCZCLUNKK-NRFANRHFSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000826332321 608315352 /nfs/dbraw/zinc/31/53/52/608315352.db2.gz QHJLNJCZCLUNKK-NRFANRHFSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000826332321 608315353 /nfs/dbraw/zinc/31/53/53/608315353.db2.gz QHJLNJCZCLUNKK-NRFANRHFSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000826332321 608315354 /nfs/dbraw/zinc/31/53/54/608315354.db2.gz QHJLNJCZCLUNKK-NRFANRHFSA-N 0 1 393.495 2.753 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000826332321 608315355 /nfs/dbraw/zinc/31/53/55/608315355.db2.gz QHJLNJCZCLUNKK-NRFANRHFSA-N 0 1 393.495 2.753 20 0 GFADMN CC[C@H](NCC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825143514 608455908 /nfs/dbraw/zinc/45/59/08/608455908.db2.gz 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C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825961088 608751299 /nfs/dbraw/zinc/75/12/99/608751299.db2.gz AOYIBGASRBIXTI-UHFFFAOYSA-N 0 1 376.461 2.727 20 0 GFADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825961088 608751309 /nfs/dbraw/zinc/75/13/09/608751309.db2.gz AOYIBGASRBIXTI-UHFFFAOYSA-N 0 1 376.461 2.727 20 0 GFADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000825961088 608751311 /nfs/dbraw/zinc/75/13/11/608751311.db2.gz AOYIBGASRBIXTI-UHFFFAOYSA-N 0 1 376.461 2.727 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000826175476 609149301 /nfs/dbraw/zinc/14/93/01/609149301.db2.gz GQKVFLKMZSCLFU-YPMHNXCESA-N 0 1 385.390 2.917 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545385 609168822 /nfs/dbraw/zinc/16/88/22/609168822.db2.gz CGBCFLYGIORTSJ-MLGOLLRUSA-N 0 1 397.870 2.761 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cc1-c1nn[nH]n1 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C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)[C@@H]1C(=O)[O-] ZINC000424411638 563378965 /nfs/dbraw/zinc/37/89/65/563378965.db2.gz LGHLGBLOXNPRDF-ABAIWWIYSA-N 0 1 379.258 2.715 20 0 GFADMN CN(C)[C@H](CNC(=O)NCc1noc(-c2cccs2)n1)c1cccs1 ZINC000299310277 563381609 /nfs/dbraw/zinc/38/16/09/563381609.db2.gz SDYNOTJFBQEUCV-LLVKDONJSA-N 0 1 377.495 2.962 20 0 GFADMN CS(=O)(=O)N1CC[C@H](CN2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000374772876 563382334 /nfs/dbraw/zinc/38/23/34/563382334.db2.gz ALDQJAIQDVOWTM-CJNGLKHVSA-N 0 1 387.343 2.868 20 0 GFADMN OC[C@@]1(NC[C@@H](O)c2ccccc2Br)CCOc2ccccc21 ZINC000281707186 563384511 /nfs/dbraw/zinc/38/45/11/563384511.db2.gz OGKJETOZLPJHFU-AEFFLSMTSA-N 0 1 378.266 2.742 20 0 GFADMN O=C(CN1CC[C@H](Cc2ccncc2)C1)Nc1ccc(Br)cn1 ZINC000374932219 563386693 /nfs/dbraw/zinc/38/66/93/563386693.db2.gz PVXJFMKWHKOQNG-CQSZACIVSA-N 0 1 375.270 2.742 20 0 GFADMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424682242 563387370 /nfs/dbraw/zinc/38/73/70/563387370.db2.gz 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COc1cc2nccc(N[C@H](C)CCS(C)(=O)=O)c2cc1Br ZINC000425241626 563414217 /nfs/dbraw/zinc/41/42/17/563414217.db2.gz QNOPOBPKAXJHNT-SNVBAGLBSA-N 0 1 387.299 2.663 20 0 GFADMN COc1cc2nccc(N3CCN4C(=O)CC[C@@H]4C3)c2cc1Br ZINC000425248001 563414947 /nfs/dbraw/zinc/41/49/47/563414947.db2.gz PWXQMAUBERZDGG-LLVKDONJSA-N 0 1 376.254 2.817 20 0 GFADMN COc1cc2nccc(N(C)CC3(O)CCOCC3)c2cc1Br ZINC000425253350 563415083 /nfs/dbraw/zinc/41/50/83/563415083.db2.gz JGFHBZCWUJAOBV-UHFFFAOYSA-N 0 1 381.270 2.984 20 0 GFADMN COC(=O)[C@@H]1CN(Cc2cncnc2)C[C@H]1c1ccc(Br)cc1 ZINC000425345639 563418971 /nfs/dbraw/zinc/41/89/71/563418971.db2.gz HRRLZLRMWGNFED-JKSUJKDBSA-N 0 1 376.254 2.628 20 0 GFADMN CCCOc1c(Br)cc(CN[C@@H](C)C(=O)NCCF)cc1OC ZINC000282700969 563421270 /nfs/dbraw/zinc/42/12/70/563421270.db2.gz OWGOWSMJFJBDHA-NSHDSACASA-N 0 1 391.281 2.810 20 0 GFADMN COCC(C)(C)N1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000425501971 563425476 /nfs/dbraw/zinc/42/54/76/563425476.db2.gz GAHHGRXOUUNVIP-UHFFFAOYSA-N 0 1 398.345 2.739 20 0 GFADMN C[C@@H]1CN(CCN(C)c2ccnc3cc(Br)cnc32)C[C@H](C)O1 ZINC000302843964 563431092 /nfs/dbraw/zinc/43/10/92/563431092.db2.gz FKNBYXCGNPONKJ-BETUJISGSA-N 0 1 379.302 2.938 20 0 GFADMN Cc1cc(I)cc(NC(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425674427 563431270 /nfs/dbraw/zinc/43/12/70/563431270.db2.gz PHYOBQFAGGIKSK-JTQLQIEISA-N 0 1 397.220 2.739 20 0 GFADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000283020153 563433291 /nfs/dbraw/zinc/43/32/91/563433291.db2.gz JRZIEKAMVCMARS-HWPZZCPQSA-N 0 1 383.279 2.511 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000303544832 563434043 /nfs/dbraw/zinc/43/40/43/563434043.db2.gz GQXFNWUTZQJNSR-AWEZNQCLSA-N 0 1 388.917 2.669 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000283081037 563435247 /nfs/dbraw/zinc/43/52/47/563435247.db2.gz YEHMZCZABCNFHO-UHFFFAOYSA-N 0 1 399.676 2.822 20 0 GFADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](O)c1cccc(Br)c1 ZINC000283139411 563436698 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COC(=O)C[C@H](C)c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000283841667 563456917 /nfs/dbraw/zinc/45/69/17/563456917.db2.gz KBERURKAZZKRQL-QMMMGPOBSA-N 0 1 392.213 2.951 20 0 GFADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000327519574 563458692 /nfs/dbraw/zinc/45/86/92/563458692.db2.gz LHKXYKVWIGGZQH-NSHDSACASA-N 0 1 381.816 2.931 20 0 GFADMN NC(=O)[C@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834637 563477135 /nfs/dbraw/zinc/47/71/35/563477135.db2.gz KJEKANAMFZHFMY-RHSMWYFYSA-N 0 1 392.272 2.983 20 0 GFADMN OC[C@@H]1C[C@@H](O)CN1[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614623 563480835 /nfs/dbraw/zinc/48/08/35/563480835.db2.gz JFSCYUJICQYQRS-RCCFBDPRSA-N 0 1 377.282 2.555 20 0 GFADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000428040821 563481941 /nfs/dbraw/zinc/48/19/41/563481941.db2.gz YFUYVVYMCKUPRL-UHFFFAOYSA-N 0 1 382.804 2.979 20 0 GFADMN Cc1nc(S(=O)(=O)NCC[C@@H]2CCO[C@H](C)C2)sc1Br ZINC000329509677 563481975 /nfs/dbraw/zinc/48/19/75/563481975.db2.gz 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CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(S(C)(=O)=O)cs2)n[nH]1 ZINC000292096817 563773765 /nfs/dbraw/zinc/77/37/65/563773765.db2.gz VFHQLQZSRHEMAP-GFCCVEGCSA-N 0 1 382.511 2.761 20 0 GFADMN COc1ccc(Br)c(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000365182078 563776144 /nfs/dbraw/zinc/77/61/44/563776144.db2.gz GRRMCUHWQCSTLW-HOTGVXAUSA-N 0 1 398.301 2.521 20 0 GFADMN CCOCCOc1ccc(Br)cc1NC(=O)N1CCN[C@@H](C)C1 ZINC000415440887 563776192 /nfs/dbraw/zinc/77/61/92/563776192.db2.gz FNWJVSWNPKQRIH-LBPRGKRZSA-N 0 1 386.290 2.690 20 0 GFADMN CS(=O)(=O)C[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000292199583 563778070 /nfs/dbraw/zinc/77/80/70/563778070.db2.gz LRGFYZIYZIPZAM-LLVKDONJSA-N 0 1 379.309 2.689 20 0 GFADMN C[C@H](NS(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(C)(C)C)no1 ZINC000442767191 563779434 /nfs/dbraw/zinc/77/94/34/563779434.db2.gz QDRQWFPOHUXLOH-QMMMGPOBSA-N 0 1 378.376 2.820 20 0 GFADMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(O)c1 ZINC000442835005 563781364 /nfs/dbraw/zinc/78/13/64/563781364.db2.gz 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CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1Br ZINC000365538092 563786139 /nfs/dbraw/zinc/78/61/39/563786139.db2.gz NMNAYASDASEEKK-OCCSQVGLSA-N 0 1 377.286 2.562 20 0 GFADMN CCc1n[nH]c(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)c1Br ZINC000365538092 563786140 /nfs/dbraw/zinc/78/61/40/563786140.db2.gz NMNAYASDASEEKK-OCCSQVGLSA-N 0 1 377.286 2.562 20 0 GFADMN CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000443021134 563787850 /nfs/dbraw/zinc/78/78/50/563787850.db2.gz GNQOYCIZLTYASN-UHFFFAOYSA-N 0 1 381.464 2.795 20 0 GFADMN O=S(=O)(NCCCN1CCC(O)CC1)c1c(Cl)ccc2ccccc21 ZINC000443154776 563793639 /nfs/dbraw/zinc/79/36/39/563793639.db2.gz HNZLAUNILSJXHF-UHFFFAOYSA-N 0 1 382.913 2.618 20 0 GFADMN Cn1cc(Br)c(CSc2nc([O-])cc(=O)n2C2CCCC2)n1 ZINC000292742275 563794154 /nfs/dbraw/zinc/79/41/54/563794154.db2.gz UXGXPILGTNYXAY-UHFFFAOYSA-N 0 1 385.287 2.852 20 0 GFADMN Cn1cc(Br)c(CSc2nc(O)cc(=O)n2C2CCCC2)n1 ZINC000292742275 563794156 /nfs/dbraw/zinc/79/41/56/563794156.db2.gz 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ZINC000737991960 597001031 /nfs/dbraw/zinc/00/10/31/597001031.db2.gz VQDPFFFGUCQYQV-CYBMUJFWSA-N 0 1 377.491 2.894 20 0 GFADMN C[N@@H+](CCC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000737991960 597001035 /nfs/dbraw/zinc/00/10/35/597001035.db2.gz VQDPFFFGUCQYQV-CYBMUJFWSA-N 0 1 377.491 2.894 20 0 GFADMN O=C(/C=C\C1CCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737797889 599262493 /nfs/dbraw/zinc/26/24/93/599262493.db2.gz SMNCONBVJYMPET-TWGQIWQCSA-N 0 1 397.483 2.517 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(CCc2ccccc2)C2CC2)cc1-c1nn[nH]n1 ZINC000821970150 607324727 /nfs/dbraw/zinc/32/47/27/607324727.db2.gz JDMZXJHZPXBIOZ-UHFFFAOYSA-N 0 1 396.476 2.537 20 0 GFADMN O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCN2CCCC[C@H]2C1 ZINC000823303665 599290012 /nfs/dbraw/zinc/29/00/12/599290012.db2.gz QFQYUAMGSCOGMV-LBPRGKRZSA-N 0 1 395.389 2.588 20 0 GFADMN C[C@H](C(=O)N1CCCCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735522221 598248294 /nfs/dbraw/zinc/24/82/94/598248294.db2.gz ZJYPIFCAHMNLNZ-MRXNPFEDSA-N 0 1 398.511 2.501 20 0 GFADMN Cc1oc(NC(=O)CN2CC[C@H](c3ccccc3C)C2)c(-c2nn[nH]n2)c1C ZINC000737420232 598255045 /nfs/dbraw/zinc/25/50/45/598255045.db2.gz DNRQYIZRYLTBND-HNNXBMFYSA-N 0 1 380.452 2.813 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](c3ccccc3C)C2)cc1-c1nn[nH]n1 ZINC000737188118 598286430 /nfs/dbraw/zinc/28/64/30/598286430.db2.gz ZGPZIUBSJHMMOH-LBPRGKRZSA-N 0 1 396.476 2.627 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000736229027 598343605 /nfs/dbraw/zinc/34/36/05/598343605.db2.gz PSZJFUITGMHZOJ-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000736229027 598343607 /nfs/dbraw/zinc/34/36/07/598343607.db2.gz PSZJFUITGMHZOJ-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000737511784 598368750 /nfs/dbraw/zinc/36/87/50/598368750.db2.gz ORRQHBYTIBLSIN-OAHLLOKOSA-N 0 1 387.875 2.778 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc3ccccc3n2C(F)F)c2ccccc12 ZINC000738370260 598504920 /nfs/dbraw/zinc/50/49/20/598504920.db2.gz ADAFPRFNUHWSKW-UHFFFAOYSA-N 0 1 393.357 2.975 20 0 GFADMN c1ccc(CC2CC[NH+](CCCCNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738427438 598593142 /nfs/dbraw/zinc/59/31/42/598593142.db2.gz HZOKGYSEILWIIS-UHFFFAOYSA-N 0 1 392.511 2.804 20 0 GFADMN c1ccc(CC2CC[NH+](CCCCNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738427438 598593144 /nfs/dbraw/zinc/59/31/44/598593144.db2.gz HZOKGYSEILWIIS-UHFFFAOYSA-N 0 1 392.511 2.804 20 0 GFADMN CC[C@H](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870517 599455709 /nfs/dbraw/zinc/45/57/09/599455709.db2.gz UGYFMPGTAITWIN-IRXDYDNUSA-N 0 1 399.543 2.909 20 0 GFADMN c1ccc(C[NH+]2CCC(Nc3cc(-c4nn[n-]n4)nc4ccccc43)CC2)nc1 ZINC000823779376 599484478 /nfs/dbraw/zinc/48/44/78/599484478.db2.gz BMEYOTKIHCDBIY-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ncc(C(C)(C)C)s2)cc1-c1nn[nH]n1 ZINC000821979740 599493147 /nfs/dbraw/zinc/49/31/47/599493147.db2.gz WAHAXDDIRCSMGW-UHFFFAOYSA-N 0 1 391.482 2.696 20 0 GFADMN C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C[C@H](O)c1ccccc1 ZINC000820768770 599530787 /nfs/dbraw/zinc/53/07/87/599530787.db2.gz PNLRDDDXJMEUMF-KUHUBIRLSA-N 0 1 398.898 2.764 20 0 GFADMN CN(CCCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821600316 599561817 /nfs/dbraw/zinc/56/18/17/599561817.db2.gz HQTMZXBUVLUBDZ-UHFFFAOYSA-N 0 1 375.436 2.981 20 0 GFADMN Cc1ccc2nc(CNc3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)[nH]c2c1 ZINC000822274629 599689228 /nfs/dbraw/zinc/68/92/28/599689228.db2.gz DABQIELPKYIIJZ-UHFFFAOYSA-N 0 1 392.373 2.912 20 0 GFADMN COc1ccc(OC)c(CN2CC[NH+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000738047654 599709793 /nfs/dbraw/zinc/70/97/93/599709793.db2.gz HYNSKVYHDDQAAB-FQEVSTJZSA-N 0 1 388.439 2.786 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236128 599719353 /nfs/dbraw/zinc/71/93/53/599719353.db2.gz KMZAFNMMZFDVAI-KBPBESRZSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236128 599719354 /nfs/dbraw/zinc/71/93/54/599719354.db2.gz KMZAFNMMZFDVAI-KBPBESRZSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000738799518 599761377 /nfs/dbraw/zinc/76/13/77/599761377.db2.gz HCUCZSGRYDWZJC-AVGNSLFASA-N 0 1 390.465 2.763 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000738799518 599761379 /nfs/dbraw/zinc/76/13/79/599761379.db2.gz HCUCZSGRYDWZJC-AVGNSLFASA-N 0 1 390.465 2.763 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)C1 ZINC000736792964 599770929 /nfs/dbraw/zinc/77/09/29/599770929.db2.gz IDXSASHXLHCOHF-AWEZNQCLSA-N 0 1 392.477 2.688 20 0 GFADMN CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736931571 599778419 /nfs/dbraw/zinc/77/84/19/599778419.db2.gz GKMZLQRDPBYNNR-JOCHJYFZSA-N 0 1 395.459 2.778 20 0 GFADMN CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736931571 599778423 /nfs/dbraw/zinc/77/84/23/599778423.db2.gz GKMZLQRDPBYNNR-JOCHJYFZSA-N 0 1 395.459 2.778 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cn2ncc3cc(C(=O)[O-])ccc32)C1)C(=O)OC(C)(C)C ZINC000737413759 599778715 /nfs/dbraw/zinc/77/87/15/599778715.db2.gz TVCPEIWEBZYQGS-CQSZACIVSA-N 0 1 388.468 2.881 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952310 599784876 /nfs/dbraw/zinc/78/48/76/599784876.db2.gz MZDCMFHYZPYNHP-LSDHHAIUSA-N 0 1 377.485 2.529 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952310 599784878 /nfs/dbraw/zinc/78/48/78/599784878.db2.gz MZDCMFHYZPYNHP-LSDHHAIUSA-N 0 1 377.485 2.529 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000737413342 599793280 /nfs/dbraw/zinc/79/32/80/599793280.db2.gz LXRXMIXNRHNZEQ-OAHLLOKOSA-N 0 1 378.469 2.952 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)CC3 ZINC000656765899 599795049 /nfs/dbraw/zinc/79/50/49/599795049.db2.gz MJKAVKXEPBFESV-INIZCTEOSA-N 0 1 380.444 2.973 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)CC3 ZINC000656765899 599795052 /nfs/dbraw/zinc/79/50/52/599795052.db2.gz MJKAVKXEPBFESV-INIZCTEOSA-N 0 1 380.444 2.973 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736788587 599809652 /nfs/dbraw/zinc/80/96/52/599809652.db2.gz FIRREUYICOZBHA-SJORKVTESA-N 0 1 389.496 2.812 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736880838 599818776 /nfs/dbraw/zinc/81/87/76/599818776.db2.gz ZTZXJLPFPSFKPE-YCRPNKLZSA-N 0 1 388.508 2.982 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCSCC(=O)[O-])cc2)C1 ZINC000736794125 599900959 /nfs/dbraw/zinc/90/09/59/599900959.db2.gz NXHAOLCVTASYOT-HNNXBMFYSA-N 0 1 379.526 2.536 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740164949 599903252 /nfs/dbraw/zinc/90/32/52/599903252.db2.gz JBGHOVNBAFGKIX-IBGZPJMESA-N 0 1 382.460 2.792 20 0 GFADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000736825288 599976014 /nfs/dbraw/zinc/97/60/14/599976014.db2.gz RAEZHXHOHPWVDQ-KRWDZBQOSA-N 0 1 387.524 2.982 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000740024613 599994271 /nfs/dbraw/zinc/99/42/71/599994271.db2.gz HKABUOPWNCRGMX-FPOVZHCZSA-N 0 1 397.475 2.981 20 0 GFADMN CCOc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)ccc1OCC(=O)[O-] ZINC000737182424 600074001 /nfs/dbraw/zinc/07/40/01/600074001.db2.gz LJZMNOHIIKNMRY-MRXNPFEDSA-N 0 1 387.436 2.531 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCCc3ccccc3C2)cc(C(=O)[O-])c1 ZINC000737666775 600094326 /nfs/dbraw/zinc/09/43/26/600094326.db2.gz PDIUHSHLFWOIDF-UHFFFAOYSA-N 0 1 382.416 2.558 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCCc3ccccc3C2)cc(C(=O)[O-])c1 ZINC000737666775 600094332 /nfs/dbraw/zinc/09/43/32/600094332.db2.gz PDIUHSHLFWOIDF-UHFFFAOYSA-N 0 1 382.416 2.558 20 0 GFADMN O=C([O-])[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308260 600098315 /nfs/dbraw/zinc/09/83/15/600098315.db2.gz YDJMRGCZMWXYSY-NVXWUHKLSA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308260 600098319 /nfs/dbraw/zinc/09/83/19/600098319.db2.gz YDJMRGCZMWXYSY-NVXWUHKLSA-N 0 1 379.888 2.811 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000737284954 600119357 /nfs/dbraw/zinc/11/93/57/600119357.db2.gz MRSZJIUFXDHIGR-HNNXBMFYSA-N 0 1 380.448 2.962 20 0 GFADMN O=C([O-])C1([NH2+]CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCCC1 ZINC000739308236 600152025 /nfs/dbraw/zinc/15/20/25/600152025.db2.gz GVWHEMTYMGWPMN-UHFFFAOYSA-N 0 1 384.358 2.897 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H](C)C1 ZINC000737168447 600183364 /nfs/dbraw/zinc/18/33/64/600183364.db2.gz VDEDFSNLTPSKKC-BBRMVZONSA-N 0 1 381.448 2.782 20 0 GFADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000826423552 607429344 /nfs/dbraw/zinc/42/93/44/607429344.db2.gz UXYPISSVZDJBIP-UHFFFAOYSA-N 0 1 387.325 2.943 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000739622376 600220024 /nfs/dbraw/zinc/22/00/24/600220024.db2.gz INZMDVDNBGMXOX-NRFANRHFSA-N 0 1 394.471 2.642 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000739622254 600273988 /nfs/dbraw/zinc/27/39/88/600273988.db2.gz CUOBZCJSUXTZDJ-UWJYYQICSA-N 0 1 396.462 2.728 20 0 GFADMN CC[C@]([NH2+]CC(=O)N(C)Cc1ccc(OC)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920109 600305970 /nfs/dbraw/zinc/30/59/70/600305970.db2.gz NLSFMNMZTVTXAV-OAQYLSRUSA-N 0 1 388.439 2.772 20 0 GFADMN CC[C@@]([NH2+]CC(=O)N(C)Cc1ccc(OC)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000736920108 600306118 /nfs/dbraw/zinc/30/61/18/600306118.db2.gz NLSFMNMZTVTXAV-NRFANRHFSA-N 0 1 388.439 2.772 20 0 GFADMN 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COC(=O)c1ccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000831418985 600653108 /nfs/dbraw/zinc/65/31/08/600653108.db2.gz OIGMBPSOICTPHO-OLZOCXBDSA-N 0 1 377.441 2.556 20 0 GFADMN COC(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000831418994 600665092 /nfs/dbraw/zinc/66/50/92/600665092.db2.gz OVLYZJINTOXXOE-CYBMUJFWSA-N 0 1 391.468 2.803 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739659986 600704481 /nfs/dbraw/zinc/70/44/81/600704481.db2.gz XMUQZELXGRZBQI-LLVKDONJSA-N 0 1 397.294 2.614 20 0 GFADMN O=C([O-])c1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2cc(Br)ccc2n1 ZINC000740080067 600707783 /nfs/dbraw/zinc/70/77/83/600707783.db2.gz BFVNJJDOBQBAJJ-GFCCVEGCSA-N 0 1 376.254 2.980 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829693205 600708864 /nfs/dbraw/zinc/70/88/64/600708864.db2.gz ZHANJFLYFJKLLY-INIZCTEOSA-N 0 1 392.477 2.511 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C12CCCC2 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QUPRNXKCURPOJZ-CABCVRRESA-N 0 1 389.452 2.650 20 0 GFADMN CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000388579846 600865427 /nfs/dbraw/zinc/86/54/27/600865427.db2.gz FROOPPQMEGRISR-MRXNPFEDSA-N 0 1 394.518 2.731 20 0 GFADMN CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000388579846 600865429 /nfs/dbraw/zinc/86/54/29/600865429.db2.gz FROOPPQMEGRISR-MRXNPFEDSA-N 0 1 394.518 2.731 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1OC ZINC000737851600 600874172 /nfs/dbraw/zinc/87/41/72/600874172.db2.gz CCQXQZFFJIRUEP-UHFFFAOYSA-N 0 1 399.447 2.961 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000736919025 600953374 /nfs/dbraw/zinc/95/33/74/600953374.db2.gz WKWPAZMYHDCHGR-FQEVSTJZSA-N 0 1 398.488 2.911 20 0 GFADMN COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737762264 600967461 /nfs/dbraw/zinc/96/74/61/600967461.db2.gz OXYLAFASEIHYFR-HNNXBMFYSA-N 0 1 378.469 2.538 20 0 GFADMN 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O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000248561523 600969122 /nfs/dbraw/zinc/96/91/22/600969122.db2.gz NNMPEYMJUZPFCQ-HAGHYFMRSA-N 0 1 386.492 2.522 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[N@@H+]3CCCC[C@H]3CC(=O)[O-])sc2c1 ZINC000830094713 600989716 /nfs/dbraw/zinc/98/97/16/600989716.db2.gz ZCJLUPQFLXMDLL-LBPRGKRZSA-N 0 1 377.466 2.963 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[N@H+]3CCCC[C@H]3CC(=O)[O-])sc2c1 ZINC000830094713 600989717 /nfs/dbraw/zinc/98/97/17/600989717.db2.gz ZCJLUPQFLXMDLL-LBPRGKRZSA-N 0 1 377.466 2.963 20 0 GFADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000833158197 600996084 /nfs/dbraw/zinc/99/60/84/600996084.db2.gz VMCIINYRINPJPG-RHSMWYFYSA-N 0 1 375.375 2.987 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000516187396 601008765 /nfs/dbraw/zinc/00/87/65/601008765.db2.gz CMKZITUISCOXSI-VQTJNVASSA-N 0 1 384.476 2.725 20 0 GFADMN CCN(C(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC000583564411 601048161 /nfs/dbraw/zinc/04/81/61/601048161.db2.gz PEMBPQBINAWNHA-HNNXBMFYSA-N 0 1 380.460 2.691 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@H+]3CC[C@@H](CC(C)C)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000833005116 601055537 /nfs/dbraw/zinc/05/55/37/601055537.db2.gz IPNSXWPDRNPNTH-INIZCTEOSA-N 0 1 388.512 2.695 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+]3CC[C@@H](CC(C)C)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000833005116 601055540 /nfs/dbraw/zinc/05/55/40/601055540.db2.gz IPNSXWPDRNPNTH-INIZCTEOSA-N 0 1 388.512 2.695 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1OC ZINC000831904495 601079589 /nfs/dbraw/zinc/07/95/89/601079589.db2.gz YEACPUOIVZXQRH-QWHCGFSZSA-N 0 1 379.457 2.644 20 0 GFADMN Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000630225296 601097813 /nfs/dbraw/zinc/09/78/13/601097813.db2.gz TVYAXFQNBBQCFH-CQSZACIVSA-N 0 1 387.505 2.663 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000827361620 601104777 /nfs/dbraw/zinc/10/47/77/601104777.db2.gz CYHOHHFWLMYXGW-INIZCTEOSA-N 0 1 386.492 2.536 20 0 GFADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000827380299 601106401 /nfs/dbraw/zinc/10/64/01/601106401.db2.gz QVMQHGNSURQRQK-GFCCVEGCSA-N 0 1 377.441 2.570 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)nc(C)[nH+]1 ZINC000820979806 601128475 /nfs/dbraw/zinc/12/84/75/601128475.db2.gz FMDAJVLTYWBXIS-UHFFFAOYSA-N 0 1 387.415 2.721 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1 ZINC000830584955 601207083 /nfs/dbraw/zinc/20/70/83/601207083.db2.gz IJHAKDVINUALFA-MZEUMTGBSA-N 0 1 392.452 2.505 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1F ZINC000232756827 601207915 /nfs/dbraw/zinc/20/79/15/601207915.db2.gz RFINFRIJTLGMCL-OAHLLOKOSA-N 0 1 398.481 2.701 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000299101187 601219298 /nfs/dbraw/zinc/21/92/98/601219298.db2.gz ZUWSALJZRGVXMJ-QWHCGFSZSA-N 0 1 393.292 2.597 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000379610613 601227225 /nfs/dbraw/zinc/22/72/25/601227225.db2.gz IZYPQJNABQUSCF-CZUORRHYSA-N 0 1 394.518 2.778 20 0 GFADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000379615752 601227334 /nfs/dbraw/zinc/22/73/34/601227334.db2.gz KQHMEHVHVITJAI-HIFRSBDPSA-N 0 1 394.518 2.778 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000829125669 601241871 /nfs/dbraw/zinc/24/18/71/601241871.db2.gz PYISJJJBOSVGSP-CYBMUJFWSA-N 0 1 386.489 2.703 20 0 GFADMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000176964140 601244020 /nfs/dbraw/zinc/24/40/20/601244020.db2.gz FSBPVMNSOQWNOU-NXEZZACHSA-N 0 1 393.292 2.549 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000830585301 601262143 /nfs/dbraw/zinc/26/21/43/601262143.db2.gz WXDLXXUFHWWPGW-KRWDZBQOSA-N 0 1 396.896 2.761 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000833009176 601268324 /nfs/dbraw/zinc/26/83/24/601268324.db2.gz MCOPGKJRMXRAKX-ZDUSSCGKSA-N 0 1 385.445 2.918 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000833321061 601284842 /nfs/dbraw/zinc/28/48/42/601284842.db2.gz GWDJAJQXZZIWJK-IBGZPJMESA-N 0 1 386.423 2.684 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000833321061 601284844 /nfs/dbraw/zinc/28/48/44/601284844.db2.gz GWDJAJQXZZIWJK-IBGZPJMESA-N 0 1 386.423 2.684 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829161281 601359806 /nfs/dbraw/zinc/35/98/06/601359806.db2.gz MWGJSUBPWJAHCA-HZPDHXFCSA-N 0 1 375.469 2.552 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000832914115 601377419 /nfs/dbraw/zinc/37/74/19/601377419.db2.gz ARGDTNAHNVOUEV-HIFRSBDPSA-N 0 1 376.453 2.684 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000832914115 601377420 /nfs/dbraw/zinc/37/74/20/601377420.db2.gz ARGDTNAHNVOUEV-HIFRSBDPSA-N 0 1 376.453 2.684 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1)CC(F)(F)F ZINC000829686847 601379035 /nfs/dbraw/zinc/37/90/35/601379035.db2.gz AVCAKNLWWCOXRN-CYBMUJFWSA-N 0 1 387.402 2.529 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000830368741 601424202 /nfs/dbraw/zinc/42/42/02/601424202.db2.gz BELOUKRYQYIULC-UHFFFAOYSA-N 0 1 388.439 2.956 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000830368741 601424203 /nfs/dbraw/zinc/42/42/03/601424203.db2.gz BELOUKRYQYIULC-UHFFFAOYSA-N 0 1 388.439 2.956 20 0 GFADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000811685423 601453153 /nfs/dbraw/zinc/45/31/53/601453153.db2.gz RNGYLFDEERFAQA-UXHICEINSA-N 0 1 384.451 2.992 20 0 GFADMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000811685423 601453154 /nfs/dbraw/zinc/45/31/54/601453154.db2.gz RNGYLFDEERFAQA-UXHICEINSA-N 0 1 384.451 2.992 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000832859989 601503598 /nfs/dbraw/zinc/50/35/98/601503598.db2.gz XBJNBIZLJZEDHS-UGSOOPFHSA-N 0 1 398.459 2.717 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828450416 601513206 /nfs/dbraw/zinc/51/32/06/601513206.db2.gz POMARCDCDZXSOB-MAUKXSAKSA-N 0 1 380.444 2.899 20 0 GFADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000662236875 601545557 /nfs/dbraw/zinc/54/55/57/601545557.db2.gz UQUDVAVFDHHUAB-IBGZPJMESA-N 0 1 378.428 2.747 20 0 GFADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000830811164 601630527 /nfs/dbraw/zinc/63/05/27/601630527.db2.gz PVNYZGQZFKDLSR-HNNXBMFYSA-N 0 1 388.443 2.881 20 0 GFADMN O=C([O-])c1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1F ZINC000833314125 601635745 /nfs/dbraw/zinc/63/57/45/601635745.db2.gz GVHBGAUQGIJYJZ-UHFFFAOYSA-N 0 1 383.423 2.763 20 0 GFADMN O=C([O-])c1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1F ZINC000833314125 601635747 /nfs/dbraw/zinc/63/57/47/601635747.db2.gz GVHBGAUQGIJYJZ-UHFFFAOYSA-N 0 1 383.423 2.763 20 0 GFADMN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000833032513 601645396 /nfs/dbraw/zinc/64/53/96/601645396.db2.gz ILGVWVLLPAJGTI-AWEZNQCLSA-N 0 1 378.498 2.967 20 0 GFADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(OCCCO)CC3)cs2)c1 ZINC000833326485 601664086 /nfs/dbraw/zinc/66/40/86/601664086.db2.gz QIELWARRDFFTTK-UHFFFAOYSA-N 0 1 376.478 2.872 20 0 GFADMN CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000826576125 601685841 /nfs/dbraw/zinc/68/58/41/601685841.db2.gz FVRKTSJAEUHDHB-CQSZACIVSA-N 0 1 387.402 2.690 20 0 GFADMN C[C@H](OCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827879974 601728931 /nfs/dbraw/zinc/72/89/31/601728931.db2.gz XQSQSIDCMZLHEK-MBSDFSHPSA-N 0 1 396.487 2.827 20 0 GFADMN O=C([O-])[C@]1(NC(=O)C2=Cc3ccccc3OC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129206 601730324 /nfs/dbraw/zinc/73/03/24/601730324.db2.gz WJPIHVQDUNYLDY-QHCPKHFHSA-N 0 1 392.455 2.698 20 0 GFADMN CC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000825946878 601740176 /nfs/dbraw/zinc/74/01/76/601740176.db2.gz VCCVCIYXHFKPLT-JOCHJYFZSA-N 0 1 380.444 2.738 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826183275 607526734 /nfs/dbraw/zinc/52/67/34/607526734.db2.gz JYRJSDLQUMLKGM-MRXNPFEDSA-N 0 1 379.420 2.941 20 0 GFADMN COc1cc(CN2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)cc(OC)c1 ZINC000831996180 601838515 /nfs/dbraw/zinc/83/85/15/601838515.db2.gz SJFMZIZHBQJQPV-UHFFFAOYSA-N 0 1 376.478 2.781 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000568771874 601891574 /nfs/dbraw/zinc/89/15/74/601891574.db2.gz FWNDIVLRHOCCLB-RTBURBONSA-N 0 1 387.501 2.985 20 0 GFADMN O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000740367863 601927259 /nfs/dbraw/zinc/92/72/59/601927259.db2.gz HHXMIWCTCZXHOG-KZNAEPCWSA-N 0 1 387.480 2.623 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000740640906 601938285 /nfs/dbraw/zinc/93/82/85/601938285.db2.gz GBLAVSRZZDHHFW-UTKZUKDTSA-N 0 1 393.487 2.750 20 0 GFADMN COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739916897 601950137 /nfs/dbraw/zinc/95/01/37/601950137.db2.gz QWZWPNHGKLLPBH-HNAYVOBHSA-N 0 1 383.448 2.965 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000740644488 601955985 /nfs/dbraw/zinc/95/59/85/601955985.db2.gz YLUSHMMVMPUZDM-UYAOXDASSA-N 0 1 381.476 2.676 20 0 GFADMN CC[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000739258634 602084283 /nfs/dbraw/zinc/08/42/83/602084283.db2.gz VXAFHGDIOGJISC-APWZRJJASA-N 0 1 388.512 2.513 20 0 GFADMN O=C([O-])c1cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1Cl ZINC000833159884 602093828 /nfs/dbraw/zinc/09/38/28/602093828.db2.gz XMXDLQGKUUWWTJ-JKSUJKDBSA-N 0 1 381.860 2.803 20 0 GFADMN CCC[C@@](C)(NC(=O)[O-])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000739290066 602122953 /nfs/dbraw/zinc/12/29/53/602122953.db2.gz XKWYOJZEJBVPAQ-VWKPWSFCSA-N 0 1 391.512 2.738 20 0 GFADMN O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000833317871 602224565 /nfs/dbraw/zinc/22/45/65/602224565.db2.gz MWMPKVNTWQQBMH-UHFFFAOYSA-N 0 1 386.901 2.677 20 0 GFADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3)cc2)C1 ZINC000738435109 602294499 /nfs/dbraw/zinc/29/44/99/602294499.db2.gz BLTIZETYFYZFGK-MRXNPFEDSA-N 0 1 396.447 2.726 20 0 GFADMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3)cc2)C1 ZINC000738435107 602294555 /nfs/dbraw/zinc/29/45/55/602294555.db2.gz BLTIZETYFYZFGK-INIZCTEOSA-N 0 1 396.447 2.726 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000740674288 602315665 /nfs/dbraw/zinc/31/56/65/602315665.db2.gz RYESQNGGRXJBBI-LJQANCHMSA-N 0 1 381.476 2.749 20 0 GFADMN O=C([O-])C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CCCC1 ZINC000833247805 602336167 /nfs/dbraw/zinc/33/61/67/602336167.db2.gz ZRJHMOFXXZZLJD-UHFFFAOYSA-N 0 1 390.871 2.853 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CCCC1 ZINC000833247805 602336170 /nfs/dbraw/zinc/33/61/70/602336170.db2.gz ZRJHMOFXXZZLJD-UHFFFAOYSA-N 0 1 390.871 2.853 20 0 GFADMN O=C([O-])N[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000740684052 602368730 /nfs/dbraw/zinc/36/87/30/602368730.db2.gz CHUIRJKEWZJKEJ-LJQANCHMSA-N 0 1 385.439 2.869 20 0 GFADMN O=C([O-])N[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000740684052 602368733 /nfs/dbraw/zinc/36/87/33/602368733.db2.gz CHUIRJKEWZJKEJ-LJQANCHMSA-N 0 1 385.439 2.869 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738630560 602384781 /nfs/dbraw/zinc/38/47/81/602384781.db2.gz KRUYNNIYRJMRTQ-LBPRGKRZSA-N 0 1 385.411 2.937 20 0 GFADMN Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@H](C)NC(=O)[O-])CC3)C2=O)cc1Cl ZINC000740131081 602457039 /nfs/dbraw/zinc/45/70/39/602457039.db2.gz RZUIQCRRROZZOF-WBMJQRKESA-N 0 1 393.871 2.648 20 0 GFADMN COc1ccccc1CN(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739976517 602526988 /nfs/dbraw/zinc/52/69/88/602526988.db2.gz VOPKSNYWJVLTKY-QZTJIDSGSA-N 0 1 389.496 2.651 20 0 GFADMN CN(C[C@@H]1CC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1)C(=O)[O-] ZINC000739660159 602534398 /nfs/dbraw/zinc/53/43/98/602534398.db2.gz LHTQONSYWQJMON-AZUAARDMSA-N 0 1 381.476 2.976 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627670 602534520 /nfs/dbraw/zinc/53/45/20/602534520.db2.gz ALLPHRRYQKBIJK-RYUDHWBXSA-N 0 1 384.274 2.708 20 0 GFADMN CCN(C(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739383304 602536176 /nfs/dbraw/zinc/53/61/76/602536176.db2.gz ZQPSVJRMKZGRBM-CYBMUJFWSA-N 0 1 376.482 2.581 20 0 GFADMN CCN(C(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739383304 602536178 /nfs/dbraw/zinc/53/61/78/602536178.db2.gz ZQPSVJRMKZGRBM-CYBMUJFWSA-N 0 1 376.482 2.581 20 0 GFADMN CCC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359358 602547320 /nfs/dbraw/zinc/54/73/20/602547320.db2.gz KFNJJTKGJATMRE-MRXNPFEDSA-N 0 1 387.436 2.716 20 0 GFADMN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000738939719 602557810 /nfs/dbraw/zinc/55/78/10/602557810.db2.gz OTTUMIZMBFSKEW-KUHUBIRLSA-N 0 1 387.505 2.810 20 0 GFADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000738939719 602557813 /nfs/dbraw/zinc/55/78/13/602557813.db2.gz OTTUMIZMBFSKEW-KUHUBIRLSA-N 0 1 387.505 2.810 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000738630177 602591423 /nfs/dbraw/zinc/59/14/23/602591423.db2.gz KGYSQSYBFNFMIV-HNNXBMFYSA-N 0 1 383.448 2.718 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000738630177 602591424 /nfs/dbraw/zinc/59/14/24/602591424.db2.gz KGYSQSYBFNFMIV-HNNXBMFYSA-N 0 1 383.448 2.718 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000740710433 602598998 /nfs/dbraw/zinc/59/89/98/602598998.db2.gz GVNIITCCTAOFAI-UHFFFAOYSA-N 0 1 390.362 2.639 20 0 GFADMN CN(C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739651492 602611395 /nfs/dbraw/zinc/61/13/95/602611395.db2.gz QDIJQVSWKVCUAJ-CZUORRHYSA-N 0 1 382.892 2.584 20 0 GFADMN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000739077712 602615075 /nfs/dbraw/zinc/61/50/75/602615075.db2.gz FXHJOXBWTNORIL-IXDOHACOSA-N 0 1 390.528 2.962 20 0 GFADMN CCOC(=O)c1cnn(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1C(F)F ZINC000739481853 602678393 /nfs/dbraw/zinc/67/83/93/602678393.db2.gz FFLKGLKMRCXKKO-UHFFFAOYSA-N 0 1 386.399 2.562 20 0 GFADMN CCOC(=O)c1cnn(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1C(F)F ZINC000739481853 602678394 /nfs/dbraw/zinc/67/83/94/602678394.db2.gz FFLKGLKMRCXKKO-UHFFFAOYSA-N 0 1 386.399 2.562 20 0 GFADMN O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000740696094 602683821 /nfs/dbraw/zinc/68/38/21/602683821.db2.gz YSNFDDSDQVUQLE-RTBURBONSA-N 0 1 383.448 2.601 20 0 GFADMN Cc1cc(N2CCC[C@H](OC(=O)c3ccc(CNC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000740079890 602684733 /nfs/dbraw/zinc/68/47/33/602684733.db2.gz LWTJJICUYJSZEI-KRWDZBQOSA-N 0 1 384.436 2.687 20 0 GFADMN C[C@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)[N@H+]1CCCC[C@H]1C ZINC000739103941 602696489 /nfs/dbraw/zinc/69/64/89/602696489.db2.gz HTXDKICGSZIMOJ-HZPDHXFCSA-N 0 1 376.501 2.796 20 0 GFADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739081736 602697594 /nfs/dbraw/zinc/69/75/94/602697594.db2.gz RWTYNCDGUVFNEB-IXDOHACOSA-N 0 1 390.528 2.899 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000740511904 602703905 /nfs/dbraw/zinc/70/39/05/602703905.db2.gz LRTLNLBQTFSIIZ-HNNXBMFYSA-N 0 1 379.888 2.878 20 0 GFADMN CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)cn1 ZINC000737301569 602739110 /nfs/dbraw/zinc/73/91/10/602739110.db2.gz VZAHRQDYJUKGKP-UHFFFAOYSA-N 0 1 386.456 2.733 20 0 GFADMN CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)cn1 ZINC000737301569 602739111 /nfs/dbraw/zinc/73/91/11/602739111.db2.gz VZAHRQDYJUKGKP-UHFFFAOYSA-N 0 1 386.456 2.733 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739178774 602775812 /nfs/dbraw/zinc/77/58/12/602775812.db2.gz KEAJSDQNURCFNA-SCDSUCTJSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739177214 602784882 /nfs/dbraw/zinc/78/48/82/602784882.db2.gz VLEZYULWSQBJHI-QAPCUYQASA-N 0 1 389.496 2.602 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739177214 602784883 /nfs/dbraw/zinc/78/48/83/602784883.db2.gz VLEZYULWSQBJHI-QAPCUYQASA-N 0 1 389.496 2.602 20 0 GFADMN C[NH+]1CCN([C@@H](C(=O)Nc2cc(NC(=O)[O-])ccc2F)c2ccccc2)CC1 ZINC000739735132 602785612 /nfs/dbraw/zinc/78/56/12/602785612.db2.gz OUAKJEGYHDYHII-GOSISDBHSA-N 0 1 386.427 2.843 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)ccc1Br ZINC000740084113 602800690 /nfs/dbraw/zinc/80/06/90/602800690.db2.gz IYKVPOBHUANYED-RISCZKNCSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)ccc1Br ZINC000740084113 602800692 /nfs/dbraw/zinc/80/06/92/602800692.db2.gz IYKVPOBHUANYED-RISCZKNCSA-N 0 1 384.274 2.674 20 0 GFADMN CC(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NC(=O)[O-] ZINC000738785129 602804090 /nfs/dbraw/zinc/80/40/90/602804090.db2.gz IQOQEEWGLXAONA-XVLXNVKGSA-N 0 1 388.512 2.773 20 0 GFADMN C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1O)[N@@H+]1CCc2sccc2C1 ZINC000738938576 602845880 /nfs/dbraw/zinc/84/58/80/602845880.db2.gz FQTZDFNHSUPARC-LLVKDONJSA-N 0 1 375.450 2.720 20 0 GFADMN C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1O)[N@H+]1CCc2sccc2C1 ZINC000738938576 602845882 /nfs/dbraw/zinc/84/58/82/602845882.db2.gz FQTZDFNHSUPARC-LLVKDONJSA-N 0 1 375.450 2.720 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000740699475 602861783 /nfs/dbraw/zinc/86/17/83/602861783.db2.gz TYOVCFSZUXWHMG-MRXNPFEDSA-N 0 1 383.448 2.777 20 0 GFADMN CN(C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1)C(=O)[O-] ZINC000739661295 602863312 /nfs/dbraw/zinc/86/33/12/602863312.db2.gz SLDPNSXEUKVKKK-DOMZBBRYSA-N 0 1 385.386 2.742 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1F ZINC000740237000 602895938 /nfs/dbraw/zinc/89/59/38/602895938.db2.gz PVMORTSWIJQIOX-BETUJISGSA-N 0 1 389.431 2.602 20 0 GFADMN O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740413434 602896296 /nfs/dbraw/zinc/89/62/96/602896296.db2.gz UJUNECGFKFYSDN-RTBURBONSA-N 0 1 388.512 2.730 20 0 GFADMN O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740413433 602896324 /nfs/dbraw/zinc/89/63/24/602896324.db2.gz UJUNECGFKFYSDN-RBUKOAKNSA-N 0 1 388.512 2.730 20 0 GFADMN O=C([O-])N1CC[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000740497784 602979661 /nfs/dbraw/zinc/97/96/61/602979661.db2.gz AUSINFACISUGSE-LBPRGKRZSA-N 0 1 386.279 2.751 20 0 GFADMN C[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000738997508 603016153 /nfs/dbraw/zinc/01/61/53/603016153.db2.gz UHNRNPHNEQYOSW-WHOFXGATSA-N 0 1 387.402 2.861 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000737720618 603030040 /nfs/dbraw/zinc/03/00/40/603030040.db2.gz IQKIOMLYDJSSAH-OAHLLOKOSA-N 0 1 390.484 2.686 20 0 GFADMN C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)[O-])CN1CC[NH+](C)CC1 ZINC000738938201 603055402 /nfs/dbraw/zinc/05/54/02/603055402.db2.gz BBIOVKFCIYFSIC-HNNXBMFYSA-N 0 1 384.480 2.543 20 0 GFADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000740184296 603106679 /nfs/dbraw/zinc/10/66/79/603106679.db2.gz PJJHNCCRTIZFEX-UHFFFAOYSA-N 0 1 388.512 2.791 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740396553 603133732 /nfs/dbraw/zinc/13/37/32/603133732.db2.gz AGJMLYBJTVPHIZ-LSDHHAIUSA-N 0 1 385.386 2.538 20 0 GFADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000826892236 603139847 /nfs/dbraw/zinc/13/98/47/603139847.db2.gz FCGKFUHQKXTDKM-MRXNPFEDSA-N 0 1 376.501 2.607 20 0 GFADMN O=C([O-])N1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000739374680 603261099 /nfs/dbraw/zinc/26/10/99/603261099.db2.gz ZPHQQQBETBXLPJ-MVCQKVDPSA-N 0 1 386.496 2.624 20 0 GFADMN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739034380 603273939 /nfs/dbraw/zinc/27/39/39/603273939.db2.gz MFVAJVTZRNLBQV-CVEARBPZSA-N 0 1 378.492 2.618 20 0 GFADMN O=C([O-])N[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000740531349 603275016 /nfs/dbraw/zinc/27/50/16/603275016.db2.gz FZSVZZYXOVYCCB-GOSISDBHSA-N 0 1 387.867 2.823 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc1 ZINC000739101695 603279876 /nfs/dbraw/zinc/27/98/76/603279876.db2.gz FDIQUHNAXKNCEB-INIZCTEOSA-N 0 1 376.501 2.860 20 0 GFADMN C[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694049 603295559 /nfs/dbraw/zinc/29/55/59/603295559.db2.gz OHWATYZNGZWRPL-OXJNMPFZSA-N 0 1 381.476 2.806 20 0 GFADMN CN(C[C@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(=O)[O-] ZINC000828211862 603298006 /nfs/dbraw/zinc/29/80/06/603298006.db2.gz LYEJNNRKNRFKDR-MRXNPFEDSA-N 0 1 392.525 2.842 20 0 GFADMN CCC(CC)[C@@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000826566238 603315490 /nfs/dbraw/zinc/31/54/90/603315490.db2.gz CBSGIAVBSFKJBU-GOSISDBHSA-N 0 1 377.485 2.952 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@@H]1NC(=O)[O-] ZINC000739126758 603330115 /nfs/dbraw/zinc/33/01/15/603330115.db2.gz MLWFFYIKPJRERI-HFTRVMKXSA-N 0 1 377.460 2.542 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@H]1NC(=O)[O-] ZINC000739126760 603330242 /nfs/dbraw/zinc/33/02/42/603330242.db2.gz MLWFFYIKPJRERI-QGPMSJSTSA-N 0 1 377.460 2.542 20 0 GFADMN O=C([O-])N1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000831328645 603368339 /nfs/dbraw/zinc/36/83/39/603368339.db2.gz UEIYNXZDLOUSKK-OAHLLOKOSA-N 0 1 381.423 2.578 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000830818418 603375550 /nfs/dbraw/zinc/37/55/50/603375550.db2.gz LCMLLDKUNOBMJF-IFXJQAMLSA-N 0 1 393.447 2.837 20 0 GFADMN CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(=O)[O-] ZINC000739389090 603376382 /nfs/dbraw/zinc/37/63/82/603376382.db2.gz FXSLRWFGJJLPFF-UHFFFAOYSA-N 0 1 387.402 2.740 20 0 GFADMN Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1NC(=O)[O-] ZINC000830191832 603408583 /nfs/dbraw/zinc/40/85/83/603408583.db2.gz FAAOWMIAJFWFNA-YQQAZPJKSA-N 0 1 375.469 2.799 20 0 GFADMN 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JXPOETAKXWWGCN-KRWDZBQOSA-N 0 1 382.460 2.887 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CC[N@H+]1CCC(=O)[O-] ZINC000833625654 605278792 /nfs/dbraw/zinc/27/87/92/605278792.db2.gz ZKJIHBKKDKORDT-SNVBAGLBSA-N 0 1 376.787 2.562 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3ncc(Br)c3C3CC3)C[C@@H]21 ZINC000834177100 605325180 /nfs/dbraw/zinc/32/51/80/605325180.db2.gz ASTHXPCPZIJEAT-SGMGOOAPSA-N 0 1 383.290 2.849 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3ncc(Br)c3C3CC3)C[C@@H]21 ZINC000834177100 605325186 /nfs/dbraw/zinc/32/51/86/605325186.db2.gz ASTHXPCPZIJEAT-SGMGOOAPSA-N 0 1 383.290 2.849 20 0 GFADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)O1 ZINC000833575554 605334927 /nfs/dbraw/zinc/33/49/27/605334927.db2.gz AOWWETMZFXOQTE-DZGCQCFKSA-N 0 1 389.370 2.524 20 0 GFADMN CS(=O)(=O)Nc1cccc(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833737195 605355905 /nfs/dbraw/zinc/35/59/05/605355905.db2.gz DJKOHOSGBHWFAL-HNNXBMFYSA-N 0 1 386.832 2.766 20 0 GFADMN CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)O1 ZINC000833581306 605361115 /nfs/dbraw/zinc/36/11/15/605361115.db2.gz WKMAFRXGTXWORI-PBHICJAKSA-N 0 1 398.463 2.563 20 0 GFADMN O=C([O-])NC[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000834216906 605373017 /nfs/dbraw/zinc/37/30/17/605373017.db2.gz CALRYBIYVRDRAG-DOTOQJQBSA-N 0 1 388.512 2.999 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000834105136 605387750 /nfs/dbraw/zinc/38/77/50/605387750.db2.gz GEJRZIZWXPWWGW-QXAKKESOSA-N 0 1 380.460 2.700 20 0 GFADMN O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000834073018 605398877 /nfs/dbraw/zinc/39/88/77/605398877.db2.gz BMUZZBOXCCUUAC-QGZVFWFLSA-N 0 1 377.460 2.640 20 0 GFADMN O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000834073018 605398886 /nfs/dbraw/zinc/39/88/86/605398886.db2.gz BMUZZBOXCCUUAC-QGZVFWFLSA-N 0 1 377.460 2.640 20 0 GFADMN CCC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826911572 605476333 /nfs/dbraw/zinc/47/63/33/605476333.db2.gz BBOHNGWSYSZSHY-UHFFFAOYSA-N 0 1 388.917 2.968 20 0 GFADMN CN(C(=O)COC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1ccccc1C(=O)[O-] ZINC000833685999 605489084 /nfs/dbraw/zinc/48/90/84/605489084.db2.gz PIHDIEBVTSSOKJ-UHFFFAOYSA-N 0 1 376.453 2.544 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000825816770 605502518 /nfs/dbraw/zinc/50/25/18/605502518.db2.gz LSAFRHRZPBRMMH-QAPCUYQASA-N 0 1 388.512 2.653 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000824330279 605509634 /nfs/dbraw/zinc/50/96/34/605509634.db2.gz XOHBMQZVWQMOJZ-QAPCUYQASA-N 0 1 376.501 2.857 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000824786069 605556429 /nfs/dbraw/zinc/55/64/29/605556429.db2.gz ISALUAIDDWNSIN-SOLBZPMBSA-N 0 1 376.501 2.727 20 0 GFADMN O=C([O-])NCC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000834224215 605676360 /nfs/dbraw/zinc/67/63/60/605676360.db2.gz HMFQBWPOASIZBP-UHFFFAOYSA-N 0 1 385.464 2.788 20 0 GFADMN O=C([O-])N1CC[C@H](C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)C1 ZINC000834051084 605728927 /nfs/dbraw/zinc/72/89/27/605728927.db2.gz ARCQBUWBTLRPQG-ZBFHGGJFSA-N 0 1 389.500 2.718 20 0 GFADMN Cc1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829949976 605805878 /nfs/dbraw/zinc/80/58/78/605805878.db2.gz FINUSJRYHHGDEN-UHFFFAOYSA-N 0 1 382.464 2.637 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000833835190 605808166 /nfs/dbraw/zinc/80/81/66/605808166.db2.gz VQBDEXQVUHIBMB-NWDGAFQWSA-N 0 1 389.525 2.673 20 0 GFADMN CC[C@@H]1CN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000833850990 605876698 /nfs/dbraw/zinc/87/66/98/605876698.db2.gz ZSUAZORZGYOPEN-WBVHZDCISA-N 0 1 389.500 2.568 20 0 GFADMN O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000834089360 605904857 /nfs/dbraw/zinc/90/48/57/605904857.db2.gz YRXYSTSBUTTZBF-LJQANCHMSA-N 0 1 385.508 2.891 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000833833507 605906026 /nfs/dbraw/zinc/90/60/26/605906026.db2.gz YSDWYBZINQUZEV-AAEUAGOBSA-N 0 1 388.295 2.930 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000833829241 605906770 /nfs/dbraw/zinc/90/67/70/605906770.db2.gz HBGOYQAOXXXZKQ-WDEREUQCSA-N 0 1 380.495 2.788 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000833829241 605906772 /nfs/dbraw/zinc/90/67/72/605906772.db2.gz HBGOYQAOXXXZKQ-WDEREUQCSA-N 0 1 380.495 2.788 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829346 605907028 /nfs/dbraw/zinc/90/70/28/605907028.db2.gz HLWOFQPNCMRMHO-MNOVXSKESA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000833829346 605907031 /nfs/dbraw/zinc/90/70/31/605907031.db2.gz HLWOFQPNCMRMHO-MNOVXSKESA-N 0 1 375.347 2.502 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000834262446 605914277 /nfs/dbraw/zinc/91/42/77/605914277.db2.gz QXMOLZYOZYTQSP-SFHVURJKSA-N 0 1 384.436 2.665 20 0 GFADMN CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833872815 605950144 /nfs/dbraw/zinc/95/01/44/605950144.db2.gz OTPNMICEHSFCSV-DFNIBXOVSA-N 0 1 388.512 2.823 20 0 GFADMN COC(=O)c1oc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1C ZINC000821671135 606021118 /nfs/dbraw/zinc/02/11/18/606021118.db2.gz JMFRGNKAXAABOI-UHFFFAOYSA-N 0 1 399.794 2.571 20 0 GFADMN CC[C@H](C)[C@H](C)N(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000820859464 606187438 /nfs/dbraw/zinc/18/74/38/606187438.db2.gz DXSQYUHQYRXNIP-KBPBESRZSA-N 0 1 377.514 2.539 20 0 GFADMN C[C@H]([NH2+]C1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1)c1ccccc1 ZINC000820412209 606219602 /nfs/dbraw/zinc/21/96/02/606219602.db2.gz KWJPBTFNHPFWCS-HNNXBMFYSA-N 0 1 379.468 2.574 20 0 GFADMN C[C@H]([NH2+]C1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1)c1ccccc1 ZINC000820412209 606219603 /nfs/dbraw/zinc/21/96/03/606219603.db2.gz KWJPBTFNHPFWCS-HNNXBMFYSA-N 0 1 379.468 2.574 20 0 GFADMN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000819976225 606249738 /nfs/dbraw/zinc/24/97/38/606249738.db2.gz RDYAVZODDHUVQI-UHFFFAOYSA-N 0 1 383.460 2.558 20 0 GFADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823140751 606251581 /nfs/dbraw/zinc/25/15/81/606251581.db2.gz ZGFJEQODNGYDSU-SFHVURJKSA-N 0 1 384.403 2.591 20 0 GFADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1ccccc1Br ZINC000820275112 606426623 /nfs/dbraw/zinc/42/66/23/606426623.db2.gz NVEZSTJPQQNUCY-SNVBAGLBSA-N 0 1 378.230 2.779 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)CC1 ZINC000820722103 606462241 /nfs/dbraw/zinc/46/22/41/606462241.db2.gz FVPWKRKXNSDITK-CQSZACIVSA-N 0 1 375.908 2.863 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)CC1 ZINC000820722103 606462243 /nfs/dbraw/zinc/46/22/43/606462243.db2.gz FVPWKRKXNSDITK-CQSZACIVSA-N 0 1 375.908 2.863 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000822731265 606484508 /nfs/dbraw/zinc/48/45/08/606484508.db2.gz BFKYFIKGQIVKPZ-GFCCVEGCSA-N 0 1 375.383 2.571 20 0 GFADMN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820479797 606500314 /nfs/dbraw/zinc/50/03/14/606500314.db2.gz CEEYKTGANYXBOY-CYBMUJFWSA-N 0 1 389.406 2.851 20 0 GFADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823146139 606559024 /nfs/dbraw/zinc/55/90/24/606559024.db2.gz UNMOZVHOBNGUKU-MQVJKMGUSA-N 0 1 394.504 2.854 20 0 GFADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823146139 606559025 /nfs/dbraw/zinc/55/90/25/606559025.db2.gz UNMOZVHOBNGUKU-MQVJKMGUSA-N 0 1 394.504 2.854 20 0 GFADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823146139 606559026 /nfs/dbraw/zinc/55/90/26/606559026.db2.gz UNMOZVHOBNGUKU-MQVJKMGUSA-N 0 1 394.504 2.854 20 0 GFADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823146139 606559027 /nfs/dbraw/zinc/55/90/27/606559027.db2.gz UNMOZVHOBNGUKU-MQVJKMGUSA-N 0 1 394.504 2.854 20 0 GFADMN O=C1[C@H](N2CC[C@@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504056 606717282 /nfs/dbraw/zinc/71/72/82/606717282.db2.gz LIBYQEFPPDNNEN-VQIMIIECSA-N 0 1 392.438 2.601 20 0 GFADMN CC(C)c1nnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000820206449 606756501 /nfs/dbraw/zinc/75/65/01/606756501.db2.gz LEUADYFUUOAFNW-UHFFFAOYSA-N 0 1 384.513 2.554 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000822223536 606788457 /nfs/dbraw/zinc/78/84/57/606788457.db2.gz AIWUIVCWDJEKCQ-UHFFFAOYSA-N 0 1 395.391 2.620 20 0 GFADMN CC(C)(C)N(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000819914460 606793919 /nfs/dbraw/zinc/79/39/19/606793919.db2.gz SIIPWHWGCXEHAE-UHFFFAOYSA-N 0 1 396.470 2.923 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(Cl)c1 ZINC000822259075 606864747 /nfs/dbraw/zinc/86/47/47/606864747.db2.gz LSHAJDYQCGWHFB-UHFFFAOYSA-N 0 1 385.783 2.908 20 0 GFADMN Cc1ccccc1[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822345916 607101843 /nfs/dbraw/zinc/10/18/43/607101843.db2.gz WNPQGAACCNGFTO-CQSZACIVSA-N 0 1 379.468 2.924 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2csc(-c3ccccn3)n2)c2ccccc12 ZINC000823657761 607237708 /nfs/dbraw/zinc/23/77/08/607237708.db2.gz UHFSRWGZCNOFAW-UHFFFAOYSA-N 0 1 387.428 2.748 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1-c1nn[nH]n1 ZINC000826303770 607816988 /nfs/dbraw/zinc/81/69/88/607816988.db2.gz DNFYXVPJBHJUHB-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN CN1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826028654 607854566 /nfs/dbraw/zinc/85/45/66/607854566.db2.gz FGHDEMBOJXZNRI-GDBMZVCRSA-N 0 1 376.823 2.787 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825140642 607911532 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COC[C@@H]1CCCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C1 ZINC000844693362 661434270 /nfs/dbraw/zinc/43/42/70/661434270.db2.gz YCEGAVRBHUEUPS-CQSZACIVSA-N 0 1 379.298 2.991 20 0 GFADMN CO[C@@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@@H]1C ZINC000844709091 661436565 /nfs/dbraw/zinc/43/65/65/661436565.db2.gz PUAWWJKUOUEXGM-SUMWQHHRSA-N 0 1 379.298 2.989 20 0 GFADMN COCC[N@@H+](CCOc1ccc(Cl)cc1Br)CCC(=O)[O-] ZINC000846271507 661541888 /nfs/dbraw/zinc/54/18/88/661541888.db2.gz IRTOAFJEVCGUIL-UHFFFAOYSA-N 0 1 380.666 2.904 20 0 GFADMN CN(Cc1ccc(Br)o1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846764465 661564685 /nfs/dbraw/zinc/56/46/85/661564685.db2.gz GXWGZKIKFOZUGK-MRXNPFEDSA-N 0 1 389.290 2.846 20 0 GFADMN O=C1NC(=O)[C@]2(CCCN(Cc3cc4cc(Cl)ccc4nc3Cl)C2)N1 ZINC000846880025 661568721 /nfs/dbraw/zinc/56/87/21/661568721.db2.gz OZBQQWNUOIJAMF-QGZVFWFLSA-N 0 1 379.247 2.716 20 0 GFADMN O=C(c1cnc(Cl)c(Br)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000847090217 661576005 /nfs/dbraw/zinc/57/60/05/661576005.db2.gz 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661779285 /nfs/dbraw/zinc/77/92/85/661779285.db2.gz HSWRSLMQCWZECS-JTQLQIEISA-N 0 1 381.274 2.784 20 0 GFADMN C[C@@H](NC[C@@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896825 661844850 /nfs/dbraw/zinc/84/48/50/661844850.db2.gz MJAVABHABUWJRN-IAQYHMDHSA-N 0 1 379.254 3.000 20 0 GFADMN Cc1ccc(N(C)[C@H]2CCCN(CCn3cnc(Br)n3)C2)cc1 ZINC000851922055 661845924 /nfs/dbraw/zinc/84/59/24/661845924.db2.gz AASOPFHJHKCEGC-INIZCTEOSA-N 0 1 378.318 2.950 20 0 GFADMN C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757374 661873600 /nfs/dbraw/zinc/87/36/00/661873600.db2.gz SMFMCEIOPOBTGZ-BIGNPOOSSA-N 0 1 382.785 2.901 20 0 GFADMN C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757374 661873601 /nfs/dbraw/zinc/87/36/01/661873601.db2.gz SMFMCEIOPOBTGZ-BIGNPOOSSA-N 0 1 382.785 2.901 20 0 GFADMN Cc1cc(N2CC[C@H](NC[C@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105772 661882528 /nfs/dbraw/zinc/88/25/28/661882528.db2.gz WQIYXBKSUGISMG-IRXDYDNUSA-N 0 1 390.281 2.581 20 0 GFADMN CN(C)C[C@H](OC(=O)CN(C)[C@@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214186 661885152 /nfs/dbraw/zinc/88/51/52/661885152.db2.gz XTTPJOGAZIKVDO-DOMZBBRYSA-N 0 1 376.444 2.687 20 0 GFADMN CC(=O)N1CCC[C@@H](c2noc(-c3sc4c(c3Br)CNC4)n2)C1 ZINC000854140195 661916178 /nfs/dbraw/zinc/91/61/78/661916178.db2.gz CTIKAUNPWNRYGU-SECBINFHSA-N 0 1 397.298 2.890 20 0 GFADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1c(Br)nnn1C ZINC000854819289 661955041 /nfs/dbraw/zinc/95/50/41/661955041.db2.gz UXJZTSSAYXWJMI-ZETCQYMHSA-N 0 1 397.664 2.941 20 0 GFADMN COC(=O)N(C)CCN(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000855891110 662011480 /nfs/dbraw/zinc/01/14/80/662011480.db2.gz ZAJZLFSITIFWAX-UHFFFAOYSA-N 0 1 395.257 2.609 20 0 GFADMN O=C(NCC[C@H]1CC1(Cl)Cl)NCC1(N2CCOCC2)CCCCC1 ZINC000856830220 662046376 /nfs/dbraw/zinc/04/63/76/662046376.db2.gz IGMYAPZNUWRXOG-AWEZNQCLSA-N 0 1 378.344 2.905 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858078445 662098070 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ZINC000861034935 662225085 /nfs/dbraw/zinc/22/50/85/662225085.db2.gz MNWGPWXXSUYYSZ-JTQLQIEISA-N 0 1 378.288 2.787 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(SC(F)(F)F)nc1 ZINC000861171222 662232246 /nfs/dbraw/zinc/23/22/46/662232246.db2.gz FHCVKYHITVGMJO-NSHDSACASA-N 0 1 377.432 2.611 20 0 GFADMN O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000861719978 662256182 /nfs/dbraw/zinc/25/61/82/662256182.db2.gz RJAVXSQWTOOAQI-RYUDHWBXSA-N 0 1 379.234 2.753 20 0 GFADMN CCN(C[C@@H](O)C(F)(F)F)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862332154 662280927 /nfs/dbraw/zinc/28/09/27/662280927.db2.gz FVALDJFABBQMRI-GHMZBOCLSA-N 0 1 376.366 2.876 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000862648909 662296700 /nfs/dbraw/zinc/29/67/00/662296700.db2.gz LCZIURHCTRMFQD-LBPRGKRZSA-N 0 1 394.249 2.541 20 0 GFADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000864869887 662389262 /nfs/dbraw/zinc/38/92/62/662389262.db2.gz TVCPSDBICLLXKM-HNNXBMFYSA-N 0 1 385.251 2.627 20 0 GFADMN O=C(Cc1ccc(Br)cc1Cl)NCCCCN1CCOCC1 ZINC000864886870 662389639 /nfs/dbraw/zinc/38/96/39/662389639.db2.gz BQDYWIBNRWYVBU-UHFFFAOYSA-N 0 1 389.721 2.874 20 0 GFADMN CCc1cc(N2CCC[C@H](NCc3cccnc3Br)C2)ncn1 ZINC000865459485 662422585 /nfs/dbraw/zinc/42/25/85/662422585.db2.gz HAKYYRZJVBIQFF-HNNXBMFYSA-N 0 1 376.302 2.955 20 0 GFADMN Cc1ccnc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1Br ZINC000865631443 662432934 /nfs/dbraw/zinc/43/29/34/662432934.db2.gz DWTMUCGJBVMFFH-HZPDHXFCSA-N 0 1 380.330 2.886 20 0 GFADMN O=C1CNC(=O)N1Cc1ccc(CNCc2csc(Br)c2)cc1 ZINC000865772887 662442343 /nfs/dbraw/zinc/44/23/43/662442343.db2.gz BNFXFLILLJRTPV-UHFFFAOYSA-N 0 1 394.294 2.852 20 0 GFADMN Cc1nn(C)c(CNC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1Br ZINC000865790556 662443879 /nfs/dbraw/zinc/44/38/79/662443879.db2.gz CBYSKFVUSFTQIT-TXEJJXNPSA-N 0 1 387.322 2.884 20 0 GFADMN O=C(NCCCOC1CCOCC1)c1cc(Br)cc(F)c1O ZINC000866058423 662458903 /nfs/dbraw/zinc/45/89/03/662458903.db2.gz ZVVOGGPUNNNUAV-UHFFFAOYSA-N 0 1 376.222 2.609 20 0 GFADMN CC[S@](C)(=O)=NS(=O)(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000866423773 662472263 /nfs/dbraw/zinc/47/22/63/662472263.db2.gz CRVXBWAAUVGKOD-FPTDNZKUSA-N 0 1 376.500 2.929 20 0 GFADMN COc1ccc2oc([C@H](C)NS(=O)(=O)N=S3(=O)CCCC3)c(C)c2c1 ZINC000866745400 662493954 /nfs/dbraw/zinc/49/39/54/662493954.db2.gz GMNLZOUFJPNNBD-LBPRGKRZSA-N 0 1 386.495 2.907 20 0 GFADMN O=C(/C=C\CN1CCOCC1)Nc1cc(Cl)cc(Br)c1O ZINC000867021064 662517149 /nfs/dbraw/zinc/51/71/49/662517149.db2.gz PVSITVJNYATJRB-UPHRSURJSA-N 0 1 375.650 2.635 20 0 GFADMN C[C@@]1(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1(Cl)Cl ZINC000867033849 662518002 /nfs/dbraw/zinc/51/80/02/662518002.db2.gz NQLOHEYMGYVUIQ-FZMZJTMJSA-N 0 1 393.340 2.775 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)OCc1ccc(Br)cc1 ZINC000867604987 662562282 /nfs/dbraw/zinc/56/22/82/662562282.db2.gz HHIZBEORYPEEGD-UHFFFAOYSA-N 0 1 395.257 2.888 20 0 GFADMN O=C(c1cc(Br)cc(F)c1[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867858263 662583288 /nfs/dbraw/zinc/58/32/88/662583288.db2.gz XSZKOBYTRNUKSA-CHWSQXEVSA-N 0 1 375.213 2.552 20 0 GFADMN Cc1noc([C@@H]2CCCN(C(=O)[C@@H](N)c3cccc(Br)c3)C2)n1 ZINC000867927743 662587741 /nfs/dbraw/zinc/58/77/41/662587741.db2.gz MYFMCBVOOBGQJN-OCCSQVGLSA-N 0 1 379.258 2.547 20 0 GFADMN N[C@H](C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942590 662588462 /nfs/dbraw/zinc/58/84/62/662588462.db2.gz CRIKLXKKGWPZPI-SJORKVTESA-N 0 1 397.313 2.636 20 0 GFADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)c1cccc(Br)c1 ZINC000867954280 662589181 /nfs/dbraw/zinc/58/91/81/662589181.db2.gz KVZKEMIWQWSGEA-KRWDZBQOSA-N 0 1 391.265 2.879 20 0 GFADMN N[C@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1cccc(Br)c1 ZINC000867962357 662589644 /nfs/dbraw/zinc/58/96/44/662589644.db2.gz OXHAYUCJGLKZIP-KRWDZBQOSA-N 0 1 389.297 2.761 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cs1 ZINC000868238382 662599331 /nfs/dbraw/zinc/59/93/31/662599331.db2.gz RINUJNNYAFRFBL-OTYXRUKQSA-N 0 1 378.420 2.619 20 0 GFADMN COC1([C@H](C)NC(=O)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000868931087 662625181 /nfs/dbraw/zinc/62/51/81/662625181.db2.gz RKJVPONAKJOCFK-VIFPVBQESA-N 0 1 376.222 2.608 20 0 GFADMN Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000869042529 662627814 /nfs/dbraw/zinc/62/78/14/662627814.db2.gz GRGOUTBYWJTLKB-OAHLLOKOSA-N 0 1 377.235 2.633 20 0 GFADMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cc(Br)n[nH]1 ZINC000869637734 662655649 /nfs/dbraw/zinc/65/56/49/662655649.db2.gz RCKISJIXVLCXLW-UHFFFAOYSA-N 0 1 392.107 2.930 20 0 GFADMN O=C(Nc1[nH]nc2cnc(Br)cc21)C(F)(F)C1CCOCC1 ZINC000869771325 662660993 /nfs/dbraw/zinc/66/09/93/662660993.db2.gz VSEAWDCEXRDORY-UHFFFAOYSA-N 0 1 375.173 2.721 20 0 GFADMN C[NH+](C)Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000870641856 662697372 /nfs/dbraw/zinc/69/73/72/662697372.db2.gz LAXVMZYIZGDIFF-MRXNPFEDSA-N 0 1 378.881 2.546 20 0 GFADMN C[NH+](C)Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000870644642 662697524 /nfs/dbraw/zinc/69/75/24/662697524.db2.gz OCJCDKJUDDXVMU-WCQYABFASA-N 0 1 378.416 2.532 20 0 GFADMN Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000870645449 662697558 /nfs/dbraw/zinc/69/75/58/662697558.db2.gz GMOGQMUSOXMWGC-UHFFFAOYSA-N 0 1 378.519 2.654 20 0 GFADMN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870878507 662704371 /nfs/dbraw/zinc/70/43/71/662704371.db2.gz MELQVYMWEOEZFG-CXAGYDPISA-N 0 1 396.329 2.604 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000871790592 662734172 /nfs/dbraw/zinc/73/41/72/662734172.db2.gz XUEWZBQJHGZMMN-NSHDSACASA-N 0 1 392.880 2.720 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000871790299 662734183 /nfs/dbraw/zinc/73/41/83/662734183.db2.gz JNYVHRLIBKRNAZ-LBPRGKRZSA-N 0 1 388.917 2.889 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)sc1C(=O)[O-] ZINC000871839145 662736766 /nfs/dbraw/zinc/73/67/66/662736766.db2.gz NWQKVYDOPSXWMW-UHFFFAOYSA-N 0 1 386.539 2.641 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000871895510 662740082 /nfs/dbraw/zinc/74/00/82/662740082.db2.gz RVQOXYJZVNJADW-CQSZACIVSA-N 0 1 388.917 2.842 20 0 GFADMN NC(=O)[C@H](NC[C@@H]1C[C@H]1C1CCOCC1)c1ccc(Br)cc1F ZINC000871922329 662742089 /nfs/dbraw/zinc/74/20/89/662742089.db2.gz XZFSWHINIOULGO-HZUKXOBISA-N 0 1 385.277 2.767 20 0 GFADMN CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871954528 662746418 /nfs/dbraw/zinc/74/64/18/662746418.db2.gz KNONTAIYIWCHGM-SNVBAGLBSA-N 0 1 395.308 2.796 20 0 GFADMN CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000871965913 662747349 /nfs/dbraw/zinc/74/73/49/662747349.db2.gz KOBGCDBYWKGHGA-JTQLQIEISA-N 0 1 380.869 2.576 20 0 GFADMN CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000871965109 662747379 /nfs/dbraw/zinc/74/73/79/662747379.db2.gz BVYVXHKOFLVITG-LLVKDONJSA-N 0 1 376.906 2.745 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000871981963 662748957 /nfs/dbraw/zinc/74/89/57/662748957.db2.gz USSYOYUHSAUXBF-LBPRGKRZSA-N 0 1 388.917 2.745 20 0 GFADMN O=S1(=O)CC[C@H](NC[C@H](O)Cc2cccc(Cl)c2)c2cc(F)ccc21 ZINC000872128998 662756409 /nfs/dbraw/zinc/75/64/09/662756409.db2.gz QCJZSYNSZUAODO-WBVHZDCISA-N 0 1 383.872 2.891 20 0 GFADMN CC(C)(O)C[C@@H](O)CNCc1ccc(I)cc1Cl ZINC000872206918 662757726 /nfs/dbraw/zinc/75/77/26/662757726.db2.gz JSUPYIWDZDMHFW-LLVKDONJSA-N 0 1 383.657 2.556 20 0 GFADMN Cn1ncc(I)c1CNC[C@@H](O)c1cccc(Cl)c1 ZINC000872243331 662759116 /nfs/dbraw/zinc/75/91/16/662759116.db2.gz XBUYZKLYJIHYFC-CYBMUJFWSA-N 0 1 391.640 2.501 20 0 GFADMN C[C@@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c1ccc(Br)cn1 ZINC000872482071 662771472 /nfs/dbraw/zinc/77/14/72/662771472.db2.gz OSFBFMUDMZJSDZ-GSDQLPOLSA-N 0 1 398.348 2.636 20 0 GFADMN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872525469 662775353 /nfs/dbraw/zinc/77/53/53/662775353.db2.gz NJZNRUYZCNPHSN-GFCCVEGCSA-N 0 1 385.921 2.797 20 0 GFADMN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Oc2ccc(Br)cc2F)cn1 ZINC000875023105 662841007 /nfs/dbraw/zinc/84/10/07/662841007.db2.gz HVXRMSPRIZYUMY-KBPBESRZSA-N 0 1 396.260 2.963 20 0 GFADMN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)OCc2ccccc2Br)cn1 ZINC000875435276 662846041 /nfs/dbraw/zinc/84/60/41/662846041.db2.gz UFTNUYCMNAWHGD-HZPDHXFCSA-N 0 1 392.297 2.961 20 0 GFADMN Cc1nc([C@H](C)NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)n[nH]1 ZINC000876262233 662858246 /nfs/dbraw/zinc/85/82/46/662858246.db2.gz ABJOCINJEUYDEL-BFFTYQLQSA-N 0 1 376.258 2.574 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)n[nH]1 ZINC000876375785 662860770 /nfs/dbraw/zinc/86/07/70/662860770.db2.gz YNYGQXZDZNFPLQ-SSDOTTSWSA-N 0 1 376.770 2.995 20 0 GFADMN N[C@@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(Br)c1 ZINC000876978250 662868995 /nfs/dbraw/zinc/86/89/95/662868995.db2.gz HTWPYEAGPXEUSL-VXGBXAGGSA-N 0 1 381.192 2.629 20 0 GFADMN COc1cc(F)c([C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1OC ZINC000878364029 662894605 /nfs/dbraw/zinc/89/46/05/662894605.db2.gz MTWPMULHZKREFI-LDYMZIIASA-N 0 1 389.221 2.978 20 0 GFADMN COC(=O)C1=NOC2(C1)CCN(C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000878400627 662895478 /nfs/dbraw/zinc/89/54/78/662895478.db2.gz FQPPDZSGWCGLCU-OAHLLOKOSA-N 0 1 387.263 2.811 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3nc(C)c(Br)s3)[C@H](C)C2)n[nH]1 ZINC000878698777 662902950 /nfs/dbraw/zinc/90/29/50/662902950.db2.gz VZZPOUAFUWRCMQ-SNVBAGLBSA-N 0 1 398.330 2.592 20 0 GFADMN O=C(Nc1cc(Cl)cc(Br)c1O)[C@@H]1CCc2nncn2CC1 ZINC000879085534 662915996 /nfs/dbraw/zinc/91/59/96/662915996.db2.gz NJPSLWXTPKEMCJ-MRVPVSSYSA-N 0 1 385.649 2.991 20 0 GFADMN OCC[C@H](NC[C@@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114579 662917522 /nfs/dbraw/zinc/91/75/22/662917522.db2.gz LOONPVALDKUGQF-NWDGAFQWSA-N 0 1 393.640 2.976 20 0 GFADMN Cc1cnc(Br)c(NC(=O)N(C)CCN2CC3(C2)CCOCC3)c1 ZINC000879621764 662930600 /nfs/dbraw/zinc/93/06/00/662930600.db2.gz YWPIRETUHBXVMW-UHFFFAOYSA-N 0 1 397.317 2.729 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762773 662938830 /nfs/dbraw/zinc/93/88/30/662938830.db2.gz KKHJUWBPDANGMU-AWEZNQCLSA-N 0 1 397.850 2.503 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000879897544 662941791 /nfs/dbraw/zinc/94/17/91/662941791.db2.gz LRGRQGCIXDAJIU-JQAFLVLXSA-N 0 1 378.270 2.688 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000880056904 662948454 /nfs/dbraw/zinc/94/84/54/662948454.db2.gz SXBZHHAEDVFIDS-QPNXVFALSA-N 0 1 379.507 2.561 20 0 GFADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC2(CC1)COCCO2 ZINC000880548849 662962201 /nfs/dbraw/zinc/96/22/01/662962201.db2.gz FSEWZKPRLYCTMC-MRXNPFEDSA-N 0 1 395.297 2.584 20 0 GFADMN O=C(NCc1n[nH]c(=O)n1C1CC1)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000880604724 662964073 /nfs/dbraw/zinc/96/40/73/662964073.db2.gz GLGFPINLWSMNRJ-UHFFFAOYSA-N 0 1 394.204 2.632 20 0 GFADMN Cc1csc(SCc2ccc(C(=O)NCc3n[nH]c(=O)n3C)cc2)n1 ZINC000880650278 662966255 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COc1ccc(Br)cc1C=CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371437301 563277512 /nfs/dbraw/zinc/27/75/12/563277512.db2.gz ANLLBZDXXZTRGK-VRMVNXKISA-N 0 1 376.254 2.868 20 0 GFADMN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4CCN(C)[C@H]4C3)s2)cs1 ZINC000371506683 563279869 /nfs/dbraw/zinc/27/98/69/563279869.db2.gz ULQHNCIGGOZAFN-OCCSQVGLSA-N 0 1 383.564 2.895 20 0 GFADMN Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)s1 ZINC000296358029 563284532 /nfs/dbraw/zinc/28/45/32/563284532.db2.gz WNRJKZXMOYSLKO-JTQLQIEISA-N 0 1 391.316 2.853 20 0 GFADMN O=C1[C@@H](Sc2nc(-c3ccc(Cl)cc3)n[nH]2)CCN1C1CCOCC1 ZINC000371825662 563288908 /nfs/dbraw/zinc/28/89/08/563288908.db2.gz XFAOOKNEJQEZBF-AWEZNQCLSA-N 0 1 378.885 2.997 20 0 GFADMN O=C(COc1ccc(F)cc1Br)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296529548 563291408 /nfs/dbraw/zinc/29/14/08/563291408.db2.gz WQMZSEQIDZVOIS-GFCCVEGCSA-N 0 1 383.221 2.839 20 0 GFADMN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC(c2nc[nH]n2)CC1 ZINC000371919369 563291433 /nfs/dbraw/zinc/29/14/33/563291433.db2.gz 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/nfs/dbraw/zinc/52/70/01/564527001.db2.gz HAURMKYUVBNMBP-MRXNPFEDSA-N 0 1 395.276 2.912 20 0 GFADMN CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)o1 ZINC000481884040 564527067 /nfs/dbraw/zinc/52/70/67/564527067.db2.gz AOVZAVCALSDXCG-UHFFFAOYSA-N 0 1 386.857 2.972 20 0 GFADMN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc2nc[nH]c21 ZINC000517275121 564529791 /nfs/dbraw/zinc/52/97/91/564529791.db2.gz PFKKJBWTLVWDNR-HNNXBMFYSA-N 0 1 399.248 2.861 20 0 GFADMN Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000517339546 564531081 /nfs/dbraw/zinc/53/10/81/564531081.db2.gz KCJLWFYYYWPQKB-HNNXBMFYSA-N 0 1 397.361 2.501 20 0 GFADMN CN(Cc1nnc2n1CCCCC2)C(=O)c1cccc(Br)c1O ZINC000517370635 564532205 /nfs/dbraw/zinc/53/22/05/564532205.db2.gz KPSHLMHLVCBKLN-UHFFFAOYSA-N 0 1 379.258 2.745 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000571217941 564541077 /nfs/dbraw/zinc/54/10/77/564541077.db2.gz RWHPWTFVBCDQCO-ZDUSSCGKSA-N 0 1 380.242 2.862 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000571217941 564541081 /nfs/dbraw/zinc/54/10/81/564541081.db2.gz RWHPWTFVBCDQCO-ZDUSSCGKSA-N 0 1 380.242 2.862 20 0 GFADMN O=C(NCCOc1cccc(Br)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000482310285 564541286 /nfs/dbraw/zinc/54/12/86/564541286.db2.gz OEYBZWPKONGGCM-AWEZNQCLSA-N 0 1 379.258 2.928 20 0 GFADMN Cc1[nH]ncc1CNC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000517788479 564542266 /nfs/dbraw/zinc/54/22/66/564542266.db2.gz WLTLIHAUZXURCZ-CYBMUJFWSA-N 0 1 392.301 2.806 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@@H]1C ZINC000455227627 564543884 /nfs/dbraw/zinc/54/38/84/564543884.db2.gz IMDMXQDMPULGIK-VHSXEESVSA-N 0 1 375.336 2.838 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000548304729 564548055 /nfs/dbraw/zinc/54/80/55/564548055.db2.gz YYQNPPAZOKOPOI-NXEZZACHSA-N 0 1 387.914 2.877 20 0 GFADMN C[C@H](NC(=O)C[N@H+](CC(=O)[O-])C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571449863 564552048 /nfs/dbraw/zinc/55/20/48/564552048.db2.gz KPZLXSIZHUIBGR-NSHDSACASA-N 0 1 389.279 2.736 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000571449863 564552049 /nfs/dbraw/zinc/55/20/49/564552049.db2.gz KPZLXSIZHUIBGR-NSHDSACASA-N 0 1 389.279 2.736 20 0 GFADMN CN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CN2CCC1CC2 ZINC000518432049 564553456 /nfs/dbraw/zinc/55/34/56/564553456.db2.gz IVDVMYUUFIPHOC-QGZVFWFLSA-N 0 1 389.297 2.801 20 0 GFADMN CCCCNC(=O)C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000518572878 564556793 /nfs/dbraw/zinc/55/67/93/564556793.db2.gz SDMVSNCYBCNAHT-UHFFFAOYSA-N 0 1 383.286 2.923 20 0 GFADMN CSc1n[nH]c(NC(=O)c2cnn(-c3cccc(Br)c3)c2)n1 ZINC000518570549 564556819 /nfs/dbraw/zinc/55/68/19/564556819.db2.gz VRPHKBFRUKWYOU-UHFFFAOYSA-N 0 1 379.243 2.727 20 0 GFADMN CSc1ccc(OCCN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000518607479 564558116 /nfs/dbraw/zinc/55/81/16/564558116.db2.gz CKMFOEVYRVWIFO-HNNXBMFYSA-N 0 1 384.567 2.581 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000518702631 564559681 /nfs/dbraw/zinc/55/96/81/564559681.db2.gz PHAOEIRNSBVHHO-LLVKDONJSA-N 0 1 384.274 2.794 20 0 GFADMN Cc1ccc(CN(CCO)C[C@H](O)COc2ccc(Br)cc2)o1 ZINC000483205857 564561214 /nfs/dbraw/zinc/56/12/14/564561214.db2.gz VXKDVCLFZYEEIY-HNNXBMFYSA-N 0 1 384.270 2.585 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@](C)(C(N)=O)C1 ZINC000483280061 564562928 /nfs/dbraw/zinc/56/29/28/564562928.db2.gz JFHLZEKURCAFRH-VFZGTOFNSA-N 0 1 377.794 2.883 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000518829013 564563790 /nfs/dbraw/zinc/56/37/90/564563790.db2.gz VSNLMRRCUVTWJZ-STQMWFEESA-N 0 1 386.277 2.775 20 0 GFADMN COc1ccc(S(=O)(=O)NCC(C)(C)N2CCC(OC)CC2)c(Cl)c1 ZINC000571715881 564563971 /nfs/dbraw/zinc/56/39/71/564563971.db2.gz RXZWOYNOOKAZIB-UHFFFAOYSA-N 0 1 390.933 2.516 20 0 GFADMN C[C@H]1CN(CCCNC(=O)Nc2nc(CC(F)(F)F)cs2)C[C@H](C)O1 ZINC000455698992 564565876 /nfs/dbraw/zinc/56/58/76/564565876.db2.gz LEOOISJTRJCKDU-QWRGUYRKSA-N 0 1 380.436 2.869 20 0 GFADMN COc1ccc(C(=O)C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1Cl ZINC000483410420 564567544 /nfs/dbraw/zinc/56/75/44/564567544.db2.gz QLWHPWOECBQILX-HOCLYGCPSA-N 0 1 382.913 2.570 20 0 GFADMN O=S(=O)(CCc1ccccc1Br)Nc1cc2ccccn2n1 ZINC000571817905 564567856 /nfs/dbraw/zinc/56/78/56/564567856.db2.gz FCQFBCGBEWFREO-UHFFFAOYSA-N 0 1 380.267 3.081 20 0 GFADMN Cc1ncc(Br)cc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000455825730 564573135 /nfs/dbraw/zinc/57/31/35/564573135.db2.gz BUUOMLVGGWWQQL-VXGBXAGGSA-N 0 1 385.306 2.773 20 0 GFADMN CCn1nccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000519347477 564575316 /nfs/dbraw/zinc/57/53/16/564575316.db2.gz CSGRBYCSMRITLN-UHFFFAOYSA-N 0 1 377.344 2.509 20 0 GFADMN O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc(Br)cc2nc[nH]c21 ZINC000548798485 564575827 /nfs/dbraw/zinc/57/58/27/564575827.db2.gz XSSALORYCWGBOJ-SNVBAGLBSA-N 0 1 390.241 2.811 20 0 GFADMN C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CN1CCCC1 ZINC000519595083 564582456 /nfs/dbraw/zinc/58/24/56/564582456.db2.gz GJQQSCUUJDHWGE-AWEZNQCLSA-N 0 1 389.359 2.544 20 0 GFADMN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000484255834 564584999 /nfs/dbraw/zinc/58/49/99/564584999.db2.gz DMHNDCHQLNQEBB-JTQLQIEISA-N 0 1 388.693 2.594 20 0 GFADMN NC(=O)c1ccc(CN[C@H]2CCCOc3c(Br)cccc32)cn1 ZINC000484282218 564585704 /nfs/dbraw/zinc/58/57/04/564585704.db2.gz XBDBBTONIYXPEH-AWEZNQCLSA-N 0 1 376.254 2.947 20 0 GFADMN Brc1cncc(Br)c1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000519672468 564586099 /nfs/dbraw/zinc/58/60/99/564586099.db2.gz LAIOMAIKPBJLKM-SECBINFHSA-N 0 1 386.091 2.977 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@H](OC(F)F)C1 ZINC000549211069 564589070 /nfs/dbraw/zinc/58/90/70/564589070.db2.gz JSJWSXOVTIVPDD-VIFPVBQESA-N 0 1 387.180 2.744 20 0 GFADMN Cc1ccc(OCCC(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(Br)c1 ZINC000572357759 564591121 /nfs/dbraw/zinc/59/11/21/564591121.db2.gz ADORAYSHFUGOIO-GFCCVEGCSA-N 0 1 379.258 2.661 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)NCCN1CC=C(C)CC1 ZINC000572419638 564594475 /nfs/dbraw/zinc/59/44/75/564594475.db2.gz ZSOZLDCXSBXCBS-UHFFFAOYSA-N 0 1 394.313 2.718 20 0 GFADMN CCO[C@@H]1COCC[C@@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000484658800 564594579 /nfs/dbraw/zinc/59/45/79/564594579.db2.gz XEHNNEBTHZTNGA-WMLDXEAASA-N 0 1 386.286 2.894 20 0 GFADMN COc1ccc(-c2n[nH]c(SCC(C)(C)CS(C)(=O)=O)n2)c(OC)c1 ZINC000484712795 564595368 /nfs/dbraw/zinc/59/53/68/564595368.db2.gz HFLBHWYCGXOLEI-UHFFFAOYSA-N 0 1 385.511 2.652 20 0 GFADMN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000519973793 564596036 /nfs/dbraw/zinc/59/60/36/564596036.db2.gz GCCNDIFYPUNKMW-WDEREUQCSA-N 0 1 395.257 2.757 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)COCC1CC1 ZINC000456377118 564603683 /nfs/dbraw/zinc/60/36/83/564603683.db2.gz SPYCCAFXJOMUFG-ZDUSSCGKSA-N 0 1 396.329 2.955 20 0 GFADMN Cc1cc(NC(=O)CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000520508081 564606304 /nfs/dbraw/zinc/60/63/04/564606304.db2.gz JRLYJZNQIVGJFV-LXZKKBNFSA-N 0 1 397.313 2.558 20 0 GFADMN Cc1cc(CC(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)n[nH]1 ZINC000572795702 564609906 /nfs/dbraw/zinc/60/99/06/564609906.db2.gz IZYOGWXBKMONSZ-UHFFFAOYSA-N 0 1 378.205 3.191 20 0 GFADMN CN(CC(=O)NCc1nc2ccc(Br)cc2o1)[C@@H]1CCSC1 ZINC000572871262 564613654 /nfs/dbraw/zinc/61/36/54/564613654.db2.gz DEZHMJIMFVMWHL-LLVKDONJSA-N 0 1 384.299 2.644 20 0 GFADMN CN(C)c1n[nH]c(C2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)n1 ZINC000550244382 564617754 /nfs/dbraw/zinc/61/77/54/564617754.db2.gz FGEJFYNCXDWOGT-UHFFFAOYSA-N 0 1 384.267 2.903 20 0 GFADMN COc1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc(Br)c1OC ZINC000550321005 564619671 /nfs/dbraw/zinc/61/96/71/564619671.db2.gz LCODJAYUMZEZKA-VIFPVBQESA-N 0 1 382.258 2.859 20 0 GFADMN Cc1cccc2nc(CNC[C@H](O)COc3ccc(Br)cc3)cn21 ZINC000521227927 564622895 /nfs/dbraw/zinc/62/28/95/564622895.db2.gz BRXBDLRTRWBPRJ-INIZCTEOSA-N 0 1 390.281 2.935 20 0 GFADMN Cc1cccc2nc(CNC[C@@H](O)COc3ccc(Br)cc3)cn21 ZINC000521227928 564622911 /nfs/dbraw/zinc/62/29/11/564622911.db2.gz BRXBDLRTRWBPRJ-MRXNPFEDSA-N 0 1 390.281 2.935 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000573151646 564625231 /nfs/dbraw/zinc/62/52/31/564625231.db2.gz MVJWGSNTCRKTGK-JTQLQIEISA-N 0 1 381.723 2.865 20 0 GFADMN Cc1n[nH]c(C(=O)NC[C@H](CO)Cc2ccc(F)c(Br)c2)c1C ZINC000456711160 564626975 /nfs/dbraw/zinc/62/69/75/564626975.db2.gz GSUROZAHPLHYIS-GFCCVEGCSA-N 0 1 384.249 2.509 20 0 GFADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000521473063 564628476 /nfs/dbraw/zinc/62/84/76/564628476.db2.gz TWLHPLOECCJWLX-UHFFFAOYSA-N 0 1 388.898 2.741 20 0 GFADMN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000456720709 564629110 /nfs/dbraw/zinc/62/91/10/564629110.db2.gz NUJBNGWZVPFELT-ZDUSSCGKSA-N 0 1 394.313 2.726 20 0 GFADMN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000521608956 564631041 /nfs/dbraw/zinc/63/10/41/564631041.db2.gz FHBNQJLKFCAHOT-LBPRGKRZSA-N 0 1 381.270 2.533 20 0 GFADMN CSC[C@@H](O)CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611660 564631515 /nfs/dbraw/zinc/63/15/15/564631515.db2.gz GPQCARMLRXXORH-HKUYNNGSSA-N 0 1 379.547 2.801 20 0 GFADMN C[C@H]1CCN(CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000573336380 564634050 /nfs/dbraw/zinc/63/40/50/564634050.db2.gz NWSPUUBNKXSENU-AWEZNQCLSA-N 0 1 381.314 2.913 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000486091512 564638589 /nfs/dbraw/zinc/63/85/89/564638589.db2.gz FZRRTISYEZDDPK-DZGCQCFKSA-N 0 1 390.958 2.549 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccsc1 ZINC000486087769 564638658 /nfs/dbraw/zinc/63/86/58/564638658.db2.gz HAMAFCOZSRZDMX-ZDUSSCGKSA-N 0 1 375.855 2.603 20 0 GFADMN Cc1cc(Br)cc(NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000486112664 564639785 /nfs/dbraw/zinc/63/97/85/564639785.db2.gz AVOSSEMBEYCPDC-KRWDZBQOSA-N 0 1 398.345 2.642 20 0 GFADMN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457032505 564644009 /nfs/dbraw/zinc/64/40/09/564644009.db2.gz IONCWYYJZVTNFP-CYBMUJFWSA-N 0 1 393.285 2.733 20 0 GFADMN 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O=C(NCc1n[nH]c(C2CC2)n1)N1CCOc2c(Br)cccc2C1 ZINC000656119801 566104915 /nfs/dbraw/zinc/10/49/15/566104915.db2.gz WTMQBTHITKCFOR-UHFFFAOYSA-N 0 1 392.257 2.549 20 0 GFADMN CCN1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@H]1C ZINC000611095784 566113060 /nfs/dbraw/zinc/11/30/60/566113060.db2.gz FAWDCAIEIRYHBO-LLVKDONJSA-N 0 1 384.274 2.794 20 0 GFADMN COCC1(O)CCN(Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000656253815 566117919 /nfs/dbraw/zinc/11/79/19/566117919.db2.gz XLIMKBXNJUMACD-UHFFFAOYSA-N 0 1 394.313 2.917 20 0 GFADMN CO[C@@H]1CN(Cc2cn(-c3ccccc3Br)nc2C)C[C@@H]1OC ZINC000656257468 566118847 /nfs/dbraw/zinc/11/88/47/566118847.db2.gz IRHRGBVZXAQQSR-CALCHBBNSA-N 0 1 380.286 2.789 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN(CCO)[C@@H]1CCO[C@@H]1C ZINC000656261427 566120892 /nfs/dbraw/zinc/12/08/92/566120892.db2.gz AQPLNIXDTYCCNE-RDTXWAMCSA-N 0 1 394.313 2.915 20 0 GFADMN C[C@H](CNC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000611305172 566125063 /nfs/dbraw/zinc/12/50/63/566125063.db2.gz YVZMZJAKOAVCBP-SECBINFHSA-N 0 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C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[N@@H+]1CCc2sccc2C1 ZINC000736025468 598957945 /nfs/dbraw/zinc/95/79/45/598957945.db2.gz HDZHPJBRVMCNJN-LBPRGKRZSA-N 0 1 392.492 2.730 20 0 GFADMN C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[N@H+]1CCc2sccc2C1 ZINC000736025468 598957946 /nfs/dbraw/zinc/95/79/46/598957946.db2.gz HDZHPJBRVMCNJN-LBPRGKRZSA-N 0 1 392.492 2.730 20 0 GFADMN Cc1ccc2cccc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3C)c2n1 ZINC000822280689 607255300 /nfs/dbraw/zinc/25/53/00/607255300.db2.gz WCKCIADLJJQFSW-UHFFFAOYSA-N 0 1 380.433 2.833 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC(c2nccs2)CC1 ZINC000737030985 598984091 /nfs/dbraw/zinc/98/40/91/598984091.db2.gz CHDYFWWFWZZYCW-UHFFFAOYSA-N 0 1 386.481 2.590 20 0 GFADMN O=C(CN(Cc1ccoc1)C1CCCCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737862804 599139989 /nfs/dbraw/zinc/13/99/89/599139989.db2.gz BXRRPQDRTLODBP-UHFFFAOYSA-N 0 1 394.479 2.911 20 0 GFADMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736295826 599221603 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391.414 2.838 20 0 GFADMN c1cc(OC2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc(-c2nn[nH]n2)c1 ZINC000738419534 598251838 /nfs/dbraw/zinc/25/18/38/598251838.db2.gz OXGFCFLDEZXADJ-UHFFFAOYSA-N 0 1 393.447 2.681 20 0 GFADMN CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000735671556 598286579 /nfs/dbraw/zinc/28/65/79/598286579.db2.gz ZJEPKTMWIFCSJM-UHFFFAOYSA-N 0 1 382.859 2.674 20 0 GFADMN CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000735671556 598286581 /nfs/dbraw/zinc/28/65/81/598286581.db2.gz ZJEPKTMWIFCSJM-UHFFFAOYSA-N 0 1 382.859 2.674 20 0 GFADMN Cc1ccc2oc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)nc2c1 ZINC000737379247 598364349 /nfs/dbraw/zinc/36/43/49/598364349.db2.gz GLGBOFZHYITPSN-UHFFFAOYSA-N 0 1 375.436 2.639 20 0 GFADMN C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000736756458 598401853 /nfs/dbraw/zinc/40/18/53/598401853.db2.gz ITNHAHNCJRNFHI-AWEZNQCLSA-N 0 1 396.426 2.574 20 0 GFADMN C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000736756458 598401854 /nfs/dbraw/zinc/40/18/54/598401854.db2.gz ITNHAHNCJRNFHI-AWEZNQCLSA-N 0 1 396.426 2.574 20 0 GFADMN CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573573 607354435 /nfs/dbraw/zinc/35/44/35/607354435.db2.gz WCLLGDYZRZLFQF-UHFFFAOYSA-N 0 1 398.492 2.679 20 0 GFADMN CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821573573 607354437 /nfs/dbraw/zinc/35/44/37/607354437.db2.gz WCLLGDYZRZLFQF-UHFFFAOYSA-N 0 1 398.492 2.679 20 0 GFADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737074074 598453462 /nfs/dbraw/zinc/45/34/62/598453462.db2.gz VEOMUAKHBSKWQS-RYUDHWBXSA-N 0 1 384.415 2.692 20 0 GFADMN CC(C)CCC[C@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735798431 598503348 /nfs/dbraw/zinc/50/33/48/598503348.db2.gz WORPSOHELWHWMP-AWEZNQCLSA-N 0 1 382.468 2.513 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000737982889 598504509 /nfs/dbraw/zinc/50/45/09/598504509.db2.gz 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393.487 2.606 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000738460897 600120166 /nfs/dbraw/zinc/12/01/66/600120166.db2.gz PNPIZCQFWOYSCH-UHFFFAOYSA-N 0 1 381.432 2.674 20 0 GFADMN O=C([O-])Nc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000740006149 600122454 /nfs/dbraw/zinc/12/24/54/600122454.db2.gz RIJHVMBBBGEVKR-UHFFFAOYSA-N 0 1 386.427 2.672 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@H+]([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262639135 600131849 /nfs/dbraw/zinc/13/18/49/600131849.db2.gz GZWBCBLOKQZWNB-YLJYHZDGSA-N 0 1 396.443 2.569 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736808841 600175056 /nfs/dbraw/zinc/17/50/56/600175056.db2.gz JSVLLSNLBFPJLB-JKIFEVAISA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736808841 600175058 /nfs/dbraw/zinc/17/50/58/600175058.db2.gz JSVLLSNLBFPJLB-JKIFEVAISA-N 0 1 376.457 2.882 20 0 GFADMN 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Cc1cc(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738437888 600481429 /nfs/dbraw/zinc/48/14/29/600481429.db2.gz KOGNJKOIOIVJTR-UHFFFAOYSA-N 0 1 396.491 2.979 20 0 GFADMN COc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1C(=O)[O-] ZINC000738002404 600488928 /nfs/dbraw/zinc/48/89/28/600488928.db2.gz TZGPAIWLFJLBTB-UHFFFAOYSA-N 0 1 375.469 2.553 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCO1 ZINC000739715961 600513749 /nfs/dbraw/zinc/51/37/49/600513749.db2.gz AODXTWKPQHNZID-LBPRGKRZSA-N 0 1 375.252 2.888 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCO1 ZINC000739715961 600513751 /nfs/dbraw/zinc/51/37/51/600513751.db2.gz AODXTWKPQHNZID-LBPRGKRZSA-N 0 1 375.252 2.888 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000736215340 600536307 /nfs/dbraw/zinc/53/63/07/600536307.db2.gz NVLAABBOAVFNHF-KRWDZBQOSA-N 0 1 396.487 2.993 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736215340 600536309 /nfs/dbraw/zinc/53/63/09/600536309.db2.gz NVLAABBOAVFNHF-KRWDZBQOSA-N 0 1 396.487 2.993 20 0 GFADMN O=C([O-])COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739823879 600541077 /nfs/dbraw/zinc/54/10/77/600541077.db2.gz NMLHQDUDENBIKH-GOSISDBHSA-N 0 1 383.448 2.936 20 0 GFADMN CN(C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000737330011 600550146 /nfs/dbraw/zinc/55/01/46/600550146.db2.gz BBRYJIAOOCFKKF-IBGZPJMESA-N 0 1 398.463 2.684 20 0 GFADMN CC[C@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736861209 600561054 /nfs/dbraw/zinc/56/10/54/600561054.db2.gz IKYHHXUGSDJILS-ACJLOTCBSA-N 0 1 375.450 2.862 20 0 GFADMN O=C([O-])c1cccc(NC(=O)COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000739319660 600580257 /nfs/dbraw/zinc/58/02/57/600580257.db2.gz JIPUUJROSWLJBU-GOSISDBHSA-N 0 1 396.443 2.779 20 0 GFADMN COc1ccc(CC[N@@H+](CC(=O)N2CCC(C(=O)[O-])CC2)CC(C)(C)C)cc1 ZINC000566359580 600628440 /nfs/dbraw/zinc/62/84/40/600628440.db2.gz JTLWZBWERJNNLB-UHFFFAOYSA-N 0 1 390.524 2.909 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)[C@@H](C)C1 ZINC000737167736 600647820 /nfs/dbraw/zinc/64/78/20/600647820.db2.gz QPMDZDNCSBCMAF-KSSFIOAISA-N 0 1 395.500 2.565 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@@H]1C ZINC000737113030 600717448 /nfs/dbraw/zinc/71/74/48/600717448.db2.gz PRYMCHXDFMMRAZ-STQMWFEESA-N 0 1 379.526 2.678 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000829613848 600721664 /nfs/dbraw/zinc/72/16/64/600721664.db2.gz UDABWCWKMKSBPJ-UHFFFAOYSA-N 0 1 396.896 2.968 20 0 GFADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000827461049 600810708 /nfs/dbraw/zinc/81/07/08/600810708.db2.gz KXKXXQRFSFNVKJ-INIZCTEOSA-N 0 1 382.464 2.717 20 0 GFADMN CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC[N@H+]1C[C@H](C)O ZINC000829149173 600826031 /nfs/dbraw/zinc/82/60/31/600826031.db2.gz FPJXMUYVXWIPES-KBXCAEBGSA-N 0 1 389.521 2.785 20 0 GFADMN C[N@@H+](CCCO)C1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000830777071 600830752 /nfs/dbraw/zinc/83/07/52/600830752.db2.gz MJKICGCRAQHYLH-UHFFFAOYSA-N 0 1 389.521 2.787 20 0 GFADMN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cs2)c1 ZINC000833326579 600839728 /nfs/dbraw/zinc/83/97/28/600839728.db2.gz SHXZBCDIADVKJI-SFHVURJKSA-N 0 1 387.505 2.805 20 0 GFADMN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cs2)c1 ZINC000833326579 600839729 /nfs/dbraw/zinc/83/97/29/600839729.db2.gz SHXZBCDIADVKJI-SFHVURJKSA-N 0 1 387.505 2.805 20 0 GFADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737853408 600855570 /nfs/dbraw/zinc/85/55/70/600855570.db2.gz FXDWFZHLOLBEFU-GFCCVEGCSA-N 0 1 395.525 2.673 20 0 GFADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000828753050 600855853 /nfs/dbraw/zinc/85/58/53/600855853.db2.gz CTKIBEKLXREPHC-LLVKDONJSA-N 0 1 383.514 2.529 20 0 GFADMN O=C([O-])C[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC000563290948 600856039 /nfs/dbraw/zinc/85/60/39/600856039.db2.gz XNPIQKKAVIGCAV-HXUWFJFHSA-N 0 1 385.460 2.659 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737515498 600880744 /nfs/dbraw/zinc/88/07/44/600880744.db2.gz KFVZYCHNXGZRQQ-FQEVSTJZSA-N 0 1 395.503 2.976 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000737505725 600973404 /nfs/dbraw/zinc/97/34/04/600973404.db2.gz OMFQYRLIUVBZRQ-LJQANCHMSA-N 0 1 399.491 2.614 20 0 GFADMN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cs2)cc1 ZINC000740098170 600976300 /nfs/dbraw/zinc/97/63/00/600976300.db2.gz MJQQSEULJWQNML-HNNXBMFYSA-N 0 1 387.505 2.662 20 0 GFADMN O=C([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)cs2)cc1 ZINC000740098170 600976302 /nfs/dbraw/zinc/97/63/02/600976302.db2.gz MJQQSEULJWQNML-HNNXBMFYSA-N 0 1 387.505 2.662 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000320798512 601012527 /nfs/dbraw/zinc/01/25/27/601012527.db2.gz VHMLFTLHASYRTH-JTQLQIEISA-N 0 1 398.282 2.891 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000320798512 601012529 /nfs/dbraw/zinc/01/25/29/601012529.db2.gz VHMLFTLHASYRTH-JTQLQIEISA-N 0 1 398.282 2.891 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000831230826 601017734 /nfs/dbraw/zinc/01/77/34/601017734.db2.gz NRPAWRFGYDOYOV-VXGBXAGGSA-N 0 1 380.466 2.744 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000831230826 601017738 /nfs/dbraw/zinc/01/77/38/601017738.db2.gz NRPAWRFGYDOYOV-VXGBXAGGSA-N 0 1 380.466 2.744 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000833223042 601023423 /nfs/dbraw/zinc/02/34/23/601023423.db2.gz TXGSAAADAJTIHA-YLJYHZDGSA-N 0 1 376.522 2.926 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000833223042 601023425 /nfs/dbraw/zinc/02/34/25/601023425.db2.gz TXGSAAADAJTIHA-YLJYHZDGSA-N 0 1 376.522 2.926 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000568065817 601023663 /nfs/dbraw/zinc/02/36/63/601023663.db2.gz HMDWUIBDGQWKEF-XLIONFOSSA-N 0 1 396.487 2.928 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)C2)o1 ZINC000830290704 601028510 /nfs/dbraw/zinc/02/85/10/601028510.db2.gz WGDULRQAQKQMLO-GXTWGEPZSA-N 0 1 375.425 2.712 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(=O)[O-])o3)C2)o1 ZINC000830290704 601028514 /nfs/dbraw/zinc/02/85/14/601028514.db2.gz WGDULRQAQKQMLO-GXTWGEPZSA-N 0 1 375.425 2.712 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000164624350 601032399 /nfs/dbraw/zinc/03/23/99/601032399.db2.gz FBRWICKLIMLJCO-AWEZNQCLSA-N 0 1 384.398 2.993 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000831364564 601041641 /nfs/dbraw/zinc/04/16/41/601041641.db2.gz NNVNJDPUXGBOTI-LRDDRELGSA-N 0 1 394.493 2.572 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000831364564 601041644 /nfs/dbraw/zinc/04/16/44/601041644.db2.gz NNVNJDPUXGBOTI-LRDDRELGSA-N 0 1 394.493 2.572 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@H+](CC(=O)[O-])C3CCOCC3)c2)cs1 ZINC000570048138 601044257 /nfs/dbraw/zinc/04/42/57/601044257.db2.gz JCRHDRZCFRJACM-UHFFFAOYSA-N 0 1 389.477 2.623 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@@H+](CC(=O)[O-])C3CCOCC3)c2)cs1 ZINC000570048138 601044261 /nfs/dbraw/zinc/04/42/61/601044261.db2.gz JCRHDRZCFRJACM-UHFFFAOYSA-N 0 1 389.477 2.623 20 0 GFADMN CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000571657713 601050740 /nfs/dbraw/zinc/05/07/40/601050740.db2.gz BLXIQPSXZCUELZ-HKUYNNGSSA-N 0 1 394.537 2.792 20 0 GFADMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000830681950 601113539 /nfs/dbraw/zinc/11/35/39/601113539.db2.gz KIXYIFWSUCNCAH-UHFFFAOYSA-N 0 1 391.468 2.655 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000828295517 601119665 /nfs/dbraw/zinc/11/96/65/601119665.db2.gz JBJPKSVHABHCJT-OAHLLOKOSA-N 0 1 387.505 2.981 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000833290831 601192475 /nfs/dbraw/zinc/19/24/75/601192475.db2.gz WKXCQEDJHFNARW-APWZRJJASA-N 0 1 398.463 2.781 20 0 GFADMN C[N@@H+](CCNC(=O)NCCc1ccc(NC(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000830785359 601196119 /nfs/dbraw/zinc/19/61/19/601196119.db2.gz PHPFLFZUTSLENK-UHFFFAOYSA-N 0 1 388.443 2.889 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(C)c1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000829765420 601201551 /nfs/dbraw/zinc/20/15/51/601201551.db2.gz TYCDYBLFWLUOQF-ZDUSSCGKSA-N 0 1 390.871 2.505 20 0 GFADMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC000013073222 601206712 /nfs/dbraw/zinc/20/67/12/601206712.db2.gz GUEDZUBOFUYBSY-SFHVURJKSA-N 0 1 394.468 2.668 20 0 GFADMN Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832896219 601213839 /nfs/dbraw/zinc/21/38/39/601213839.db2.gz CXGIJCMLXWOJOI-GOEBONIOSA-N 0 1 380.452 2.596 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000379615753 601227135 /nfs/dbraw/zinc/22/71/35/601227135.db2.gz KQHMEHVHVITJAI-UKRRQHHQSA-N 0 1 394.518 2.778 20 0 GFADMN C[C@H](CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000379608121 601260858 /nfs/dbraw/zinc/26/08/58/601260858.db2.gz MBTYPJVPTLWOSY-OAHLLOKOSA-N 0 1 376.478 2.574 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000577183250 601261587 /nfs/dbraw/zinc/26/15/87/601261587.db2.gz SFSAMMDCHLGQRY-QGZVFWFLSA-N 0 1 396.896 2.548 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1N1CCOCC1 ZINC000828457846 601325009 /nfs/dbraw/zinc/32/50/09/601325009.db2.gz ZWQIKQDAUJFBDN-DOMZBBRYSA-N 0 1 378.469 2.891 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)CC(F)(F)F ZINC000829688184 601380413 /nfs/dbraw/zinc/38/04/13/601380413.db2.gz WYKAPXKHMGQGGW-ZDUSSCGKSA-N 0 1 387.402 2.529 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)C1)CC(F)(F)F ZINC000829692335 601401291 /nfs/dbraw/zinc/40/12/91/601401291.db2.gz GVFMBKWRAIENCI-CYBMUJFWSA-N 0 1 384.402 2.898 20 0 GFADMN O=C([O-])C1(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000833138140 601414108 /nfs/dbraw/zinc/41/41/08/601414108.db2.gz GWJSSKYLKOTLAA-OAHLLOKOSA-N 0 1 379.526 2.904 20 0 GFADMN C[C@@H](C[N@@H+](C)CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)C(=O)[O-] ZINC000422583445 601418814 /nfs/dbraw/zinc/41/88/14/601418814.db2.gz CNEOFHAIHCDAND-XOBRGWDASA-N 0 1 394.899 2.789 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830856699 601423549 /nfs/dbraw/zinc/42/35/49/601423549.db2.gz PQVQJZISNCDINJ-AEFFLSMTSA-N 0 1 399.516 2.758 20 0 GFADMN O=C([O-])c1sccc1C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000833348895 601484606 /nfs/dbraw/zinc/48/46/06/601484606.db2.gz UCIJAWUFYOIYTC-UHFFFAOYSA-N 0 1 376.453 2.862 20 0 GFADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000831585740 601489968 /nfs/dbraw/zinc/48/99/68/601489968.db2.gz PFBIYBKGDPTMBD-ZDUSSCGKSA-N 0 1 390.259 2.530 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)[O-] ZINC000828438148 601506812 /nfs/dbraw/zinc/50/68/12/601506812.db2.gz DAAQLVCLCLKSCF-BLLLJJGKSA-N 0 1 376.840 2.869 20 0 GFADMN O=C([O-])CCN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000833234139 601515080 /nfs/dbraw/zinc/51/50/80/601515080.db2.gz OSDPQGZBCNUDMO-LJQANCHMSA-N 0 1 399.466 2.936 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828440139 601516085 /nfs/dbraw/zinc/51/60/85/601516085.db2.gz LLSZDLGCBQNLMQ-UTKZUKDTSA-N 0 1 380.488 2.977 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@H]1C(=O)[O-] ZINC000828439650 601522223 /nfs/dbraw/zinc/52/22/23/601522223.db2.gz IZEVHRIHRAKBKK-GXSJLCMTSA-N 0 1 381.404 2.679 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C[C@H]1C(=O)[O-] ZINC000828439650 601522225 /nfs/dbraw/zinc/52/22/25/601522225.db2.gz IZEVHRIHRAKBKK-GXSJLCMTSA-N 0 1 381.404 2.679 20 0 GFADMN Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832861758 601529212 /nfs/dbraw/zinc/52/92/12/601529212.db2.gz LIBWLEKRKUUYJN-LJQANCHMSA-N 0 1 382.460 2.896 20 0 GFADMN Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832861758 601529214 /nfs/dbraw/zinc/52/92/14/601529214.db2.gz LIBWLEKRKUUYJN-LJQANCHMSA-N 0 1 382.460 2.896 20 0 GFADMN Cc1cccc(C[N@@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)n1 ZINC000832967656 601536704 /nfs/dbraw/zinc/53/67/04/601536704.db2.gz MPNSDUFAHYTBGH-IBGZPJMESA-N 0 1 380.448 2.557 20 0 GFADMN Cc1cccc(C[N@H+](C)CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)n1 ZINC000832967656 601536705 /nfs/dbraw/zinc/53/67/05/601536705.db2.gz MPNSDUFAHYTBGH-IBGZPJMESA-N 0 1 380.448 2.557 20 0 GFADMN Cc1noc(C)c1[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833019084 601732952 /nfs/dbraw/zinc/73/29/52/601732952.db2.gz DCKWGHZQHJORKS-SZNDQCEHSA-N 0 1 385.464 2.631 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129029 601733567 /nfs/dbraw/zinc/73/35/67/601733567.db2.gz SMNMEZGQPNGANF-NZQKXSOJSA-N 0 1 378.472 2.952 20 0 GFADMN C[C@H](Sc1ccccn1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827921294 601777677 /nfs/dbraw/zinc/77/76/77/601777677.db2.gz DJQZCUAKFYPOMO-HRAATJIYSA-N 0 1 399.516 2.798 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc(OC)c1 ZINC000831996149 601778235 /nfs/dbraw/zinc/77/82/35/601778235.db2.gz QPMDFTTZZLOIJJ-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(C(=O)[O-])cc3)C2)cc(OC)c1 ZINC000831996149 601778236 /nfs/dbraw/zinc/77/82/36/601778236.db2.gz QPMDFTTZZLOIJJ-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)o1 ZINC000830290828 601834775 /nfs/dbraw/zinc/83/47/75/601834775.db2.gz YSRVCMWLPUCEDV-CQSZACIVSA-N 0 1 377.466 2.620 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCc3cccc(C(=O)[O-])c3)c2)CCO1 ZINC000666522934 601859100 /nfs/dbraw/zinc/85/91/00/601859100.db2.gz MUUBKVBGYCKQEF-MRXNPFEDSA-N 0 1 397.475 2.605 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCc3cccc(C(=O)[O-])c3)c2)CCO1 ZINC000666522934 601859102 /nfs/dbraw/zinc/85/91/02/601859102.db2.gz MUUBKVBGYCKQEF-MRXNPFEDSA-N 0 1 397.475 2.605 20 0 GFADMN C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828182991 601878544 /nfs/dbraw/zinc/87/85/44/601878544.db2.gz BCIZMSFYTRXXKC-QAPCUYQASA-N 0 1 393.443 2.989 20 0 GFADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828182991 601878546 /nfs/dbraw/zinc/87/85/46/601878546.db2.gz BCIZMSFYTRXXKC-QAPCUYQASA-N 0 1 393.443 2.989 20 0 GFADMN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000828028830 601890932 /nfs/dbraw/zinc/89/09/32/601890932.db2.gz DVOSAHRSGKXMGV-NHCUHLMSSA-N 0 1 387.480 2.505 20 0 GFADMN O=C([O-])N1CCC([N@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C2CC2)CC1 ZINC000740499137 601912616 /nfs/dbraw/zinc/91/26/16/601912616.db2.gz CXUGFPGIIOVIKN-UHFFFAOYSA-N 0 1 392.500 2.586 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CN2C(=O)NC3(CCCCCCC3)C2=O)C2CC2)CC1 ZINC000740499137 601912617 /nfs/dbraw/zinc/91/26/17/601912617.db2.gz CXUGFPGIIOVIKN-UHFFFAOYSA-N 0 1 392.500 2.586 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832971208 601920605 /nfs/dbraw/zinc/92/06/05/601920605.db2.gz QPDGBVSYHRLFAB-QFIPXVFZSA-N 0 1 395.459 2.982 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826015009 601922835 /nfs/dbraw/zinc/92/28/35/601922835.db2.gz ZSMREWNPPXRBIY-YJBOKZPZSA-N 0 1 391.537 2.896 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826015009 601922836 /nfs/dbraw/zinc/92/28/36/601922836.db2.gz ZSMREWNPPXRBIY-YJBOKZPZSA-N 0 1 391.537 2.896 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826021431 601926343 /nfs/dbraw/zinc/92/63/43/601926343.db2.gz QPDQJEWAWYHLLM-GWCFXTLKSA-N 0 1 387.299 2.668 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826021431 601926345 /nfs/dbraw/zinc/92/63/45/601926345.db2.gz QPDQJEWAWYHLLM-GWCFXTLKSA-N 0 1 387.299 2.668 20 0 GFADMN C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(=O)[O-])s1 ZINC000830777065 601945272 /nfs/dbraw/zinc/94/52/72/601945272.db2.gz MECVOTIYHMCYIT-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(=O)[O-])s1 ZINC000830777065 601945274 /nfs/dbraw/zinc/94/52/74/601945274.db2.gz MECVOTIYHMCYIT-UHFFFAOYSA-N 0 1 383.491 2.751 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000740643124 601947029 /nfs/dbraw/zinc/94/70/29/601947029.db2.gz NGDVACCYMNMHNH-HNAYVOBHSA-N 0 1 387.505 2.933 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C)n1Cc1cccs1 ZINC000740052582 601954134 /nfs/dbraw/zinc/95/41/34/601954134.db2.gz NFFBMYHNHBOSBB-HNNXBMFYSA-N 0 1 375.494 2.987 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C)n1Cc1cccs1 ZINC000740052582 601954138 /nfs/dbraw/zinc/95/41/38/601954138.db2.gz NFFBMYHNHBOSBB-HNNXBMFYSA-N 0 1 375.494 2.987 20 0 GFADMN COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000739953766 601963597 /nfs/dbraw/zinc/96/35/97/601963597.db2.gz VLVZHTUOBRUEBF-HNAYVOBHSA-N 0 1 383.448 2.965 20 0 GFADMN COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000739953766 601963600 /nfs/dbraw/zinc/96/36/00/601963600.db2.gz VLVZHTUOBRUEBF-HNAYVOBHSA-N 0 1 383.448 2.965 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1-c1nn[nH]n1 ZINC000826304141 607536916 /nfs/dbraw/zinc/53/69/16/607536916.db2.gz YDEXJVDXXASFBW-UHFFFAOYSA-N 0 1 396.432 2.995 20 0 GFADMN CC(C)(CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738750861 602008861 /nfs/dbraw/zinc/00/88/61/602008861.db2.gz NPXJMNHNLJWTER-INIZCTEOSA-N 0 1 388.512 2.513 20 0 GFADMN COc1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000831871354 602033515 /nfs/dbraw/zinc/03/35/15/602033515.db2.gz PEMKEKWZDKTBKG-OAQYLSRUSA-N 0 1 386.423 2.684 20 0 GFADMN C[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263174932 602033715 /nfs/dbraw/zinc/03/37/15/602033715.db2.gz QOAFRBZMCKXPPC-ZWKOTPCHSA-N 0 1 384.398 2.764 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccccc1Cl ZINC000739605952 602063001 /nfs/dbraw/zinc/06/30/01/602063001.db2.gz DISGFYCCPMWIQM-CZUORRHYSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739109307 602080333 /nfs/dbraw/zinc/08/03/33/602080333.db2.gz ZSFVDVUDBPIVOC-IAGOWNOFSA-N 0 1 388.512 2.860 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000739712324 602083154 /nfs/dbraw/zinc/08/31/54/602083154.db2.gz WIGSSTPSVZHAIN-UHFFFAOYSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738980906 602097506 /nfs/dbraw/zinc/09/75/06/602097506.db2.gz PKGZHCBXZDKWGI-SOUVJXGZSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738980906 602097510 /nfs/dbraw/zinc/09/75/10/602097510.db2.gz PKGZHCBXZDKWGI-SOUVJXGZSA-N 0 1 394.541 2.572 20 0 GFADMN CC1CCC2(CC(=O)N(C[N@H+](C3CC3)C3CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000739088977 602182641 /nfs/dbraw/zinc/18/26/41/602182641.db2.gz CDSMAAGJGCBUTA-UHFFFAOYSA-N 0 1 377.485 2.506 20 0 GFADMN CC1CCC2(CC(=O)N(C[N@@H+](C3CC3)C3CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000739088977 602182643 /nfs/dbraw/zinc/18/26/43/602182643.db2.gz CDSMAAGJGCBUTA-UHFFFAOYSA-N 0 1 377.485 2.506 20 0 GFADMN CCc1cc(=O)[nH]c(C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000830224791 602236883 /nfs/dbraw/zinc/23/68/83/602236883.db2.gz WCILTQNPXKCOSS-INIZCTEOSA-N 0 1 380.242 2.597 20 0 GFADMN CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C1 ZINC000829051002 602241186 /nfs/dbraw/zinc/24/11/86/602241186.db2.gz YOTLGZLAACRGIW-SFHVURJKSA-N 0 1 382.482 2.992 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H](C)NC(=O)[O-])cc(=O)oc2c1 ZINC000738573974 602265679 /nfs/dbraw/zinc/26/56/79/602265679.db2.gz XACZCJYRWUBYCI-SJCJKPOMSA-N 0 1 387.436 2.762 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000740729244 602268587 /nfs/dbraw/zinc/26/85/87/602268587.db2.gz HVDUYLHEOOQVKY-AOIWGVFYSA-N 0 1 389.471 2.954 20 0 GFADMN O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000740357368 602378342 /nfs/dbraw/zinc/37/83/42/602378342.db2.gz SATGVIROBFCNBL-CVEARBPZSA-N 0 1 389.452 2.741 20 0 GFADMN CC(C)[C@@H](NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738792122 602383557 /nfs/dbraw/zinc/38/35/57/602383557.db2.gz ZRSREFYKXHRFBN-LJQANCHMSA-N 0 1 379.476 2.961 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+](C)C3CCC(CO)CC3)c2C(=O)[O-])C1 ZINC000828310949 602387765 /nfs/dbraw/zinc/38/77/65/602387765.db2.gz RGDCPBINJHXDPW-HSBZDZAISA-N 0 1 394.537 2.993 20 0 GFADMN CC(C)C[C@H](NC(=O)[O-])c1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000738823504 602409878 /nfs/dbraw/zinc/40/98/78/602409878.db2.gz LYPWHDPUYZIVOF-KRWDZBQOSA-N 0 1 387.484 2.742 20 0 GFADMN O=C([O-])N1CCC[C@H](C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000740510036 602452475 /nfs/dbraw/zinc/45/24/75/602452475.db2.gz DPWJEZZMFXVBKD-OAHLLOKOSA-N 0 1 379.888 2.878 20 0 GFADMN Cc1csc(=O)n1CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740205937 602480644 /nfs/dbraw/zinc/48/06/44/602480644.db2.gz SLMCEBDZCBSQOZ-KRWDZBQOSA-N 0 1 375.494 2.863 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737566443 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/nfs/dbraw/zinc/60/26/13/605602613.db2.gz WOMYLNOLLNQOCG-NEPJUHHUSA-N 0 1 381.839 2.928 20 0 GFADMN O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000831409700 605628266 /nfs/dbraw/zinc/62/82/66/605628266.db2.gz WCKLBQDAGCVLCC-ZWKOTPCHSA-N 0 1 391.537 2.500 20 0 GFADMN CC[N@@H+](CCC1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1)CC1CC1 ZINC000833857900 605749033 /nfs/dbraw/zinc/74/90/33/605749033.db2.gz UEUOBGOTJXTZFJ-UHFFFAOYSA-N 0 1 380.533 2.672 20 0 GFADMN CN(C)[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821579535 606114850 /nfs/dbraw/zinc/11/48/50/606114850.db2.gz FLNRKKQSGZNODS-MRXNPFEDSA-N 0 1 385.859 2.945 20 0 GFADMN O=C(NCc1ccco1)c1cccc(CNCc2cc(-c3nn[nH]n3)cs2)c1 ZINC000823261159 606211915 /nfs/dbraw/zinc/21/19/15/606211915.db2.gz DCUYWUFSAAYTKC-UHFFFAOYSA-N 0 1 394.460 2.741 20 0 GFADMN O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822983683 606409961 /nfs/dbraw/zinc/40/99/61/606409961.db2.gz SFGXJLWILNXERE-UHFFFAOYSA-N 0 1 396.520 2.642 20 0 GFADMN O=C(CCc1ccccc1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822983683 606409963 /nfs/dbraw/zinc/40/99/63/606409963.db2.gz SFGXJLWILNXERE-UHFFFAOYSA-N 0 1 396.520 2.642 20 0 GFADMN O[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823689297 606415403 /nfs/dbraw/zinc/41/54/03/606415403.db2.gz DCSGRJLHCUCHKF-LBPRGKRZSA-N 0 1 385.371 2.650 20 0 GFADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823689297 606415405 /nfs/dbraw/zinc/41/54/05/606415405.db2.gz DCSGRJLHCUCHKF-LBPRGKRZSA-N 0 1 385.371 2.650 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933252 606419862 /nfs/dbraw/zinc/41/98/62/606419862.db2.gz LDHWZIKHEBSZSD-GFCCVEGCSA-N 0 1 378.502 2.807 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933252 606419864 /nfs/dbraw/zinc/41/98/64/606419864.db2.gz LDHWZIKHEBSZSD-GFCCVEGCSA-N 0 1 378.502 2.807 20 0 GFADMN Cn1cc([C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)cn1 ZINC000822674353 606487698 /nfs/dbraw/zinc/48/76/98/606487698.db2.gz QZDYIMYYFHZXHO-ZDUSSCGKSA-N 0 1 389.410 2.581 20 0 GFADMN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275414 606499107 /nfs/dbraw/zinc/49/91/07/606499107.db2.gz UMMGKMQDRGCQHB-UKRRQHHQSA-N 0 1 380.477 2.685 20 0 GFADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275414 606499110 /nfs/dbraw/zinc/49/91/10/606499110.db2.gz UMMGKMQDRGCQHB-UKRRQHHQSA-N 0 1 380.477 2.685 20 0 GFADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000819928230 606753376 /nfs/dbraw/zinc/75/33/76/606753376.db2.gz LITSJZWFNDETGE-CYBMUJFWSA-N 0 1 375.448 2.950 20 0 GFADMN CC[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1)N(C)C ZINC000820841608 606969135 /nfs/dbraw/zinc/96/91/35/606969135.db2.gz APKZHSYVRUXFNT-INIZCTEOSA-N 0 1 396.451 2.946 20 0 GFADMN COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821692969 606981020 /nfs/dbraw/zinc/98/10/20/606981020.db2.gz LPDCWDUTTPOIEE-UHFFFAOYSA-N 0 1 385.443 2.671 20 0 GFADMN COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821692969 606981022 /nfs/dbraw/zinc/98/10/22/606981022.db2.gz LPDCWDUTTPOIEE-UHFFFAOYSA-N 0 1 385.443 2.671 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@H]32)cc1 ZINC000823780982 607033331 /nfs/dbraw/zinc/03/33/31/607033331.db2.gz XZQOIKUQSXKOSB-PKOBYXMFSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@H]32)cc1 ZINC000823780982 607033333 /nfs/dbraw/zinc/03/33/33/607033333.db2.gz XZQOIKUQSXKOSB-PKOBYXMFSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@H]32)cc1 ZINC000823780982 607033335 /nfs/dbraw/zinc/03/33/35/607033335.db2.gz XZQOIKUQSXKOSB-PKOBYXMFSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@H]32)cc1 ZINC000823780982 607033337 /nfs/dbraw/zinc/03/33/37/607033337.db2.gz XZQOIKUQSXKOSB-PKOBYXMFSA-N 0 1 375.480 2.753 20 0 GFADMN CCC1(CC)[C@H](N(C)Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1OC ZINC000820958111 607106003 /nfs/dbraw/zinc/10/60/03/607106003.db2.gz RNAXXXGWIWLFJZ-CVEARBPZSA-N 0 1 397.483 2.942 20 0 GFADMN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)c2)n1 ZINC000822402485 607113817 /nfs/dbraw/zinc/11/38/17/607113817.db2.gz BIKYUMXSJKQOAO-UHFFFAOYSA-N 0 1 396.432 2.939 20 0 GFADMN Fc1ccc(CCN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000822767032 607173990 /nfs/dbraw/zinc/17/39/90/607173990.db2.gz UFMSOXCZNMERIR-UHFFFAOYSA-N 0 1 384.434 2.505 20 0 GFADMN O=S(=O)(CCNCc1csc2ccccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000826485120 607815591 /nfs/dbraw/zinc/81/55/91/607815591.db2.gz DDNMASJZXYSXKJ-UHFFFAOYSA-N 0 1 399.501 2.645 20 0 GFADMN CC(C)CC[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245270 607816017 /nfs/dbraw/zinc/81/60/17/607816017.db2.gz XFKINSRZNJSTIM-KRWDZBQOSA-N 0 1 391.541 2.931 20 0 GFADMN CCC[C@H](C)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234225 607829635 /nfs/dbraw/zinc/82/96/35/607829635.db2.gz XOEFVTLOBBKKGB-YOEHRIQHSA-N 0 1 377.514 2.541 20 0 GFADMN CC[NH+](CC)CCOc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000825417327 607896374 /nfs/dbraw/zinc/89/63/74/607896374.db2.gz PYHUZDNQRPSZLI-UHFFFAOYSA-N 0 1 397.483 2.603 20 0 GFADMN CC[NH+](CC)CCOc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000825417327 607896375 /nfs/dbraw/zinc/89/63/75/607896375.db2.gz PYHUZDNQRPSZLI-UHFFFAOYSA-N 0 1 397.483 2.603 20 0 GFADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974724 607913315 /nfs/dbraw/zinc/91/33/15/607913315.db2.gz DYUPHNCKCWQRHX-GASCZTMLSA-N 0 1 392.463 2.824 20 0 GFADMN O=C(c1ccc(Br)cc1O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826472373 607962122 /nfs/dbraw/zinc/96/21/22/607962122.db2.gz IUPYGMJVIHIPBQ-UHFFFAOYSA-N 0 1 386.209 2.538 20 0 GFADMN COc1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1-c1nn[nH]n1 ZINC000826207786 607972216 /nfs/dbraw/zinc/97/22/16/607972216.db2.gz DANHLDYECVDTCA-UHFFFAOYSA-N 0 1 381.421 2.658 20 0 GFADMN CC[C@@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825052456 608020989 /nfs/dbraw/zinc/02/09/89/608020989.db2.gz XBTMXAXFZSBXDL-CZUORRHYSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825052456 608020990 /nfs/dbraw/zinc/02/09/90/608020990.db2.gz XBTMXAXFZSBXDL-CZUORRHYSA-N 0 1 396.499 2.510 20 0 GFADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000824358451 608106274 /nfs/dbraw/zinc/10/62/74/608106274.db2.gz KKDQCUJSAGBTIS-QMMMGPOBSA-N 0 1 375.824 2.644 20 0 GFADMN C[NH+](C)CCN(CCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825866091 608188702 /nfs/dbraw/zinc/18/87/02/608188702.db2.gz QVRWBBMTCFWXFV-UHFFFAOYSA-N 0 1 377.905 2.587 20 0 GFADMN C[NH+](C)CCN(CCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825866091 608188703 /nfs/dbraw/zinc/18/87/03/608188703.db2.gz QVRWBBMTCFWXFV-UHFFFAOYSA-N 0 1 377.905 2.587 20 0 GFADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824858040 608202241 /nfs/dbraw/zinc/20/22/41/608202241.db2.gz HBTLDLMURYTZNO-LSDHHAIUSA-N 0 1 391.479 2.775 20 0 GFADMN O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1)OC1CCCC1 ZINC000826420728 608252745 /nfs/dbraw/zinc/25/27/45/608252745.db2.gz ZFQOBFOJUQKQOC-UHFFFAOYSA-N 0 1 389.359 2.564 20 0 GFADMN CCOC[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825589683 608311628 /nfs/dbraw/zinc/31/16/28/608311628.db2.gz ITAGYXPMGXEBRF-INIZCTEOSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000825589683 608311630 /nfs/dbraw/zinc/31/16/30/608311630.db2.gz ITAGYXPMGXEBRF-INIZCTEOSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589683 608311632 /nfs/dbraw/zinc/31/16/32/608311632.db2.gz ITAGYXPMGXEBRF-INIZCTEOSA-N 0 1 381.484 2.609 20 0 GFADMN CCOC[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000825589683 608311634 /nfs/dbraw/zinc/31/16/34/608311634.db2.gz ITAGYXPMGXEBRF-INIZCTEOSA-N 0 1 381.484 2.609 20 0 GFADMN COc1cccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826214450 608432493 /nfs/dbraw/zinc/43/24/93/608432493.db2.gz MGMYNGFHIAYPOQ-LLVKDONJSA-N 0 1 386.481 2.843 20 0 GFADMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825653345 608457934 /nfs/dbraw/zinc/45/79/34/608457934.db2.gz BCLQMUBUSLFIMG-QGZVFWFLSA-N 0 1 380.452 2.945 20 0 GFADMN CCc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825711542 608465672 /nfs/dbraw/zinc/46/56/72/608465672.db2.gz FFSWMGOCEAGOGH-OAHLLOKOSA-N 0 1 378.480 2.738 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000826184317 608476637 /nfs/dbraw/zinc/47/66/37/608476637.db2.gz SIMGLLSBUGFXQE-AWEZNQCLSA-N 0 1 392.463 2.853 20 0 GFADMN Cc1cccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826296216 608533833 /nfs/dbraw/zinc/53/38/33/608533833.db2.gz NLLXPZGTXFHRJF-OAHLLOKOSA-N 0 1 385.493 2.608 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000826412471 608534078 /nfs/dbraw/zinc/53/40/78/608534078.db2.gz PCDVALNMNOGUAY-LJQANCHMSA-N 0 1 388.475 2.639 20 0 GFADMN C[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572411 608534654 /nfs/dbraw/zinc/53/46/54/608534654.db2.gz URHJEKPELNAPIG-SMDDNHRTSA-N 0 1 391.834 2.750 20 0 GFADMN CCc1ccc(C(C)(C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825704631 608538398 /nfs/dbraw/zinc/53/83/98/608538398.db2.gz LCCXBDBJYVGZNA-UHFFFAOYSA-N 0 1 399.520 2.728 20 0 GFADMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826217082 608538861 /nfs/dbraw/zinc/53/88/61/608538861.db2.gz YEHUHGPBTRGSBT-LBPRGKRZSA-N 0 1 384.415 2.694 20 0 GFADMN c1ccc([C@H]2C[C@H]2C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1 ZINC000826520623 608591009 /nfs/dbraw/zinc/59/10/09/608591009.db2.gz OPISHEGXKTWNBK-DLBZAZTESA-N 0 1 391.479 2.658 20 0 GFADMN O=C(NC1CCCCC1)NC1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826429374 608630211 /nfs/dbraw/zinc/63/02/11/608630211.db2.gz AWOVSTLFVQKNAZ-UHFFFAOYSA-N 0 1 389.529 2.525 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521533 608845799 /nfs/dbraw/zinc/84/57/99/608845799.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 0 1 378.480 2.946 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521533 608845802 /nfs/dbraw/zinc/84/58/02/608845802.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 0 1 378.480 2.946 20 0 GFADMN Cc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283352 609168089 /nfs/dbraw/zinc/16/80/89/609168089.db2.gz OYSXBNQZGBUYOU-HNAYVOBHSA-N 0 1 391.479 2.725 20 0 GFADMN C[C@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000824539328 609250129 /nfs/dbraw/zinc/25/01/29/609250129.db2.gz MVZWZRZRVBIENI-ZDUSSCGKSA-N 0 1 383.477 2.610 20 0 GFADMN COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCN2C2CC2)c1 ZINC000826215514 609346519 /nfs/dbraw/zinc/34/65/19/609346519.db2.gz QZNJCBXGZWRATG-MJGOQNOKSA-N 0 1 380.452 2.536 20 0 GFADMN 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GFADMN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cccc(O)c1Br ZINC000882734591 663038945 /nfs/dbraw/zinc/03/89/45/663038945.db2.gz DQCIRHCSJGAYJN-NSHDSACASA-N 0 1 380.260 2.628 20 0 GFADMN CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000882749522 663040329 /nfs/dbraw/zinc/04/03/29/663040329.db2.gz DDXOEFVYMMKOGE-LJQANCHMSA-N 0 1 380.706 2.878 20 0 GFADMN COc1nsc(CNC[C@H]2CCC3(CCOCC3)CO2)c1Br ZINC000883253426 663052026 /nfs/dbraw/zinc/05/20/26/663052026.db2.gz RNNKRQMSWHZVIO-LLVKDONJSA-N 0 1 391.331 2.980 20 0 GFADMN O=S1(=O)CCC[C@H]1CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000883300317 663053008 /nfs/dbraw/zinc/05/30/08/663053008.db2.gz UGNNUEPDEQKOKF-AWEZNQCLSA-N 0 1 398.326 2.896 20 0 GFADMN NCc1nc2c(s1)CCN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000883481732 663056105 /nfs/dbraw/zinc/05/61/05/663056105.db2.gz YZFCILBHNREWGV-UHFFFAOYSA-N 0 1 395.403 2.507 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)C[C@H](C)N1 ZINC000884030368 663063995 /nfs/dbraw/zinc/06/39/95/663063995.db2.gz 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FXCXAKVWMCRKCE-MWLCHTKSSA-N 0 1 385.287 2.753 20 0 GFADMN Cc1nc([C@@H]2OCC[C@@H]2CNC(=O)c2cc(Br)ccc2C)n[nH]1 ZINC000926654865 664694692 /nfs/dbraw/zinc/69/46/92/664694692.db2.gz SLLAELUKHCTVTG-BXUZGUMPSA-N 0 1 379.258 2.692 20 0 GFADMN Cc1nc([C@@H]2OCC[C@@H]2CNC(=O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000926668644 664695090 /nfs/dbraw/zinc/69/50/90/664695090.db2.gz JEYUSZMFSWUUKS-MEBBXXQBSA-N 0 1 385.251 2.693 20 0 GFADMN COc1cc(Br)cc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000926904207 664698860 /nfs/dbraw/zinc/69/88/60/664698860.db2.gz WPSBIXPCPZDACQ-HUUCEWRRSA-N 0 1 376.316 2.903 20 0 GFADMN CCC[C@H](O)CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000927016309 664702244 /nfs/dbraw/zinc/70/22/44/664702244.db2.gz ILCYHDRZDIQQEZ-JSGCOSHPSA-N 0 1 376.316 2.808 20 0 GFADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC[C@@H](O)CS(C)(=O)=O ZINC000927035317 664702751 /nfs/dbraw/zinc/70/27/51/664702751.db2.gz VELQTHYPCRSBIY-QMTHXVAHSA-N 0 1 388.942 2.828 20 0 GFADMN Cn1c(=O)c2ccc(C(=O)NCC3C[C@H]4CC[C@@H](C3)S4)cc2[nH]c1=S ZINC000927401513 664709493 /nfs/dbraw/zinc/70/94/93/664709493.db2.gz ZHGREVCSKBAWHF-VGPLMAKISA-N 0 1 375.519 2.626 20 0 GFADMN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000928089950 664722469 /nfs/dbraw/zinc/72/24/69/664722469.db2.gz GRDNDEMKVNNMNR-GDBMZVCRSA-N 0 1 377.535 2.950 20 0 GFADMN Cc1nc(CC(F)(F)F)sc1CC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000928103137 664723318 /nfs/dbraw/zinc/72/33/18/664723318.db2.gz PWUSVWIHCVFTRA-NEPJUHHUSA-N 0 1 393.500 2.795 20 0 GFADMN Cc1nn[nH]c1C(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1 ZINC000928186257 664725390 /nfs/dbraw/zinc/72/53/90/664725390.db2.gz BKCYESHNUMGJBT-UHFFFAOYSA-N 0 1 377.242 2.833 20 0 GFADMN Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCN(C)[C@H]2C)cc1Cl ZINC000928454598 664732721 /nfs/dbraw/zinc/73/27/21/664732721.db2.gz RMEBVTSMLAZGNE-WFASDCNBSA-N 0 1 379.917 2.530 20 0 GFADMN CN1CC[C@H]1CNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000928567431 664735119 /nfs/dbraw/zinc/73/51/19/664735119.db2.gz WMAZOKRDYXWGAV-ZDUSSCGKSA-N 0 1 392.253 2.728 20 0 GFADMN CN(CC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1)[C@H]1CCSC1 ZINC000928945366 664744000 /nfs/dbraw/zinc/74/40/00/664744000.db2.gz MRLIORCNJNGYGT-UONOGXRCSA-N 0 1 399.358 2.730 20 0 GFADMN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000929902073 664759413 /nfs/dbraw/zinc/75/94/13/664759413.db2.gz QKSAPQSXCFDAAH-PWSUYJOCSA-N 0 1 376.404 2.507 20 0 GFADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(Br)cnc1Br ZINC000930675447 664775639 /nfs/dbraw/zinc/77/56/39/664775639.db2.gz LBFAYUVBERRUMV-VIFPVBQESA-N 0 1 389.091 2.573 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)N[C@H](C)Cc2cccc(Br)c2)cc1=O ZINC000930696445 664776557 /nfs/dbraw/zinc/77/65/57/664776557.db2.gz SFJKNLZMGCQBEK-CYBMUJFWSA-N 0 1 394.313 2.885 20 0 GFADMN Cc1cnc(Br)cc1NC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000930931825 664781206 /nfs/dbraw/zinc/78/12/06/664781206.db2.gz CAAAOXGSGVKZLU-WCQYABFASA-N 0 1 385.331 2.854 20 0 GFADMN COC(=O)c1cc(Br)c(CN2CCC[C@H]2c2nnc[nH]2)cc1OC ZINC000931144540 664786955 /nfs/dbraw/zinc/78/69/55/664786955.db2.gz VUZDFRPARGWUDN-ZDUSSCGKSA-N 0 1 395.257 2.700 20 0 GFADMN Nc1ccnc2c1CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000931509392 664796909 /nfs/dbraw/zinc/79/69/09/664796909.db2.gz ONEGEUPFKPIUEE-UHFFFAOYSA-N 0 1 386.304 2.803 20 0 GFADMN CCOC(=O)c1nc(NC(=O)N2CCCN(C)CC2)sc1C(F)(F)F ZINC000931594462 664800329 /nfs/dbraw/zinc/80/03/29/664800329.db2.gz RRFOHLRLIKJMFQ-UHFFFAOYSA-N 0 1 380.392 2.508 20 0 GFADMN O=C(Nc1nn(CC(F)(F)F)cc1Cl)N[C@H]1CCCN2CCSC[C@H]12 ZINC000931798196 664805211 /nfs/dbraw/zinc/80/52/11/664805211.db2.gz AJOSPCSMRJEPMC-WDEREUQCSA-N 0 1 397.854 2.800 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932030014 664809258 /nfs/dbraw/zinc/80/92/58/664809258.db2.gz GLUXGLRZAWMWER-PXAZEXFGSA-N 0 1 385.917 2.570 20 0 GFADMN CN1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC000932070473 664809657 /nfs/dbraw/zinc/80/96/57/664809657.db2.gz MOWWKPXOYASXTH-AWEZNQCLSA-N 0 1 377.286 2.518 20 0 GFADMN Cc1ccc(Br)c2cc(C(=O)N[C@@H](C)[C@@H]3CN(C)CCN3C)[nH]c21 ZINC000933385604 664861292 /nfs/dbraw/zinc/86/12/92/664861292.db2.gz FTHRNTYMJIDVCA-LRDDRELGSA-N 0 1 393.329 2.603 20 0 GFADMN C[C@@H](CN1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC000933481663 664866289 /nfs/dbraw/zinc/86/62/89/664866289.db2.gz KKVRWSLQGQSYMG-AWEZNQCLSA-N 0 1 376.563 2.682 20 0 GFADMN CCc1ccc(Br)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000934043265 664888673 /nfs/dbraw/zinc/88/86/73/664888673.db2.gz IQDCOYBCHLDIHL-UHFFFAOYSA-N 0 1 381.314 2.948 20 0 GFADMN Cn1c2cc(Br)ccc2nc1CN1CCCCCNC(=O)CC1 ZINC000934154404 664890859 /nfs/dbraw/zinc/89/08/59/664890859.db2.gz CPWSEHAUSGIKSN-UHFFFAOYSA-N 0 1 379.302 2.828 20 0 GFADMN CCC[C@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1nn[n-]n1 ZINC000934314361 664898438 /nfs/dbraw/zinc/89/84/38/664898438.db2.gz WTUHUIZFXGMWDN-SKDRFNHKSA-N 0 1 399.236 2.565 20 0 GFADMN CCC[C@H](NC(=O)[C@H](C)c1ccc(I)cc1)c1nn[nH]n1 ZINC000934314361 664898440 /nfs/dbraw/zinc/89/84/40/664898440.db2.gz WTUHUIZFXGMWDN-SKDRFNHKSA-N 0 1 399.236 2.565 20 0 GFADMN O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)N[C@@H]1CCCc2cn[nH]c21 ZINC000934897075 664929222 /nfs/dbraw/zinc/92/92/22/664929222.db2.gz GGSDLQJUOFNUTM-GXTWGEPZSA-N 0 1 389.253 2.792 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1NC(=O)c1cc(Cl)cs1 ZINC000950693703 665010478 /nfs/dbraw/zinc/01/04/78/665010478.db2.gz ZMURRGRVSAUDML-XIDUGBJDSA-N 0 1 378.885 2.505 20 0 GFADMN Cn1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(-c2ccc(Cl)s2)n1 ZINC000956978783 665012843 /nfs/dbraw/zinc/01/28/43/665012843.db2.gz OFZHRBMXTMLDRG-JTQLQIEISA-N 0 1 376.873 2.940 20 0 GFADMN C[C@@H](O)C[N@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H]1C ZINC000120575004 677396962 /nfs/dbraw/zinc/39/69/62/677396962.db2.gz HFMURAWTUQBDQI-UONOGXRCSA-N 0 1 393.329 2.726 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@@H]1C ZINC000120575004 677396965 /nfs/dbraw/zinc/39/69/65/677396965.db2.gz HFMURAWTUQBDQI-UONOGXRCSA-N 0 1 393.329 2.726 20 0 GFADMN CC(C)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070006279 677675893 /nfs/dbraw/zinc/67/58/93/677675893.db2.gz NNNFOLYEPBTYHB-SYQHCUMBSA-N 0 1 379.917 2.547 20 0 GFADMN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001080323375 677676260 /nfs/dbraw/zinc/67/62/60/677676260.db2.gz MWNZWIWNVTWQDZ-NMFUWQPSSA-N 0 1 378.929 2.875 20 0 GFADMN CN1CCO[C@H]2CN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)C[C@@H]21 ZINC001164673844 719421803 /nfs/dbraw/zinc/42/18/03/719421803.db2.gz UYIUGCXVQUWBQY-PMACEKPBSA-N 0 1 381.476 2.703 20 0 GFADMN COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc[n-]c3nc(=S)sc1-3)C2 ZINC001164813723 720156731 /nfs/dbraw/zinc/15/67/31/720156731.db2.gz DVQDDZZZHMPUFF-ACJLOTCBSA-N 0 1 391.566 2.560 20 0 GFADMN Cc1cc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)nc(Cl)n1 ZINC001164734311 720558742 /nfs/dbraw/zinc/55/87/42/720558742.db2.gz YWNAOVVBSDWPBC-UHFFFAOYSA-N 0 1 396.873 2.838 20 0 GFADMN Clc1cnc(Cl)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866344 721080416 /nfs/dbraw/zinc/08/04/16/721080416.db2.gz SNLRMCYCNTXVII-UONOGXRCSA-N 0 1 380.279 2.658 20 0 GFADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164763440 721145537 /nfs/dbraw/zinc/14/55/37/721145537.db2.gz FXBVFKMFCZCCCN-HZPDHXFCSA-N 0 1 382.899 2.975 20 0 GFADMN Cc1cccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164890952 721395599 /nfs/dbraw/zinc/39/55/99/721395599.db2.gz PPSZIVQFTGBSGM-CVDCTZTESA-N 0 1 395.551 2.704 20 0 GFADMN Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncc1Cl ZINC001164886144 721397529 /nfs/dbraw/zinc/39/75/29/721397529.db2.gz DMYFIRATANWCBJ-YLJYHZDGSA-N 0 1 378.948 2.809 20 0 GFADMN COc1cc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164888846 721401264 /nfs/dbraw/zinc/40/12/64/721401264.db2.gz OYWHKQCLQOJOJK-OXJNMPFZSA-N 0 1 394.947 2.509 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cccc(F)c54)C3)O2)CC1 ZINC001164884684 721416274 /nfs/dbraw/zinc/41/62/74/721416274.db2.gz FJXVCVDXJHXOMB-HTAPYJJXSA-N 0 1 399.514 2.534 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nncc5ccc(F)cc54)C3)O2)CC1 ZINC001164883986 721416417 /nfs/dbraw/zinc/41/64/17/721416417.db2.gz CUBLXPZYAOOMAJ-SIKLNZKXSA-N 0 1 399.514 2.534 20 0 GFADMN Cc1cc2c(ncnc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164800630 721543690 /nfs/dbraw/zinc/54/36/90/721543690.db2.gz CTUZCFVBSRMBET-GBESFXJTSA-N 0 1 378.480 2.530 20 0 GFADMN Cc1nc2c(c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n1)CCC2 ZINC001164798208 721570399 /nfs/dbraw/zinc/57/03/99/721570399.db2.gz AVNZXZDOGGTCHY-ACRUOGEOSA-N 0 1 379.508 2.537 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2nccc(Oc3ccccc3)n2)CC1 ZINC001165011585 721733577 /nfs/dbraw/zinc/73/35/77/721733577.db2.gz RTPVGGNJVXHYKQ-UHFFFAOYSA-N 0 1 395.507 2.792 20 0 GFADMN COC(=O)c1ccc2ccnc(N3CCN(CCc4ccccn4)CC3)c2c1 ZINC001165053573 722011335 /nfs/dbraw/zinc/01/13/35/722011335.db2.gz KEOCLXYMSOJXER-UHFFFAOYSA-N 0 1 376.460 2.781 20 0 GFADMN CSc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nn1 ZINC001164961498 722059834 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GFADMN Cc1cc(C)c(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1I ZINC000373537963 563341421 /nfs/dbraw/zinc/34/14/21/563341421.db2.gz MAHADLTVMICPLL-NSHDSACASA-N 0 1 395.244 2.918 20 0 GFADMN CCOc1cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc(Cl)c1O ZINC000298063939 563343608 /nfs/dbraw/zinc/34/36/08/563343608.db2.gz KIXABTVUVIICRL-LLVKDONJSA-N 0 1 380.794 2.945 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)c(Br)c1 ZINC000373634888 563344504 /nfs/dbraw/zinc/34/45/04/563344504.db2.gz GGJBHJYGWGAHJC-UHFFFAOYSA-N 0 1 399.266 2.726 20 0 GFADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000373644910 563345315 /nfs/dbraw/zinc/34/53/15/563345315.db2.gz PPTLKDMZAPXMAU-CYBMUJFWSA-N 0 1 382.873 2.967 20 0 GFADMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000374104680 563361842 /nfs/dbraw/zinc/36/18/42/563361842.db2.gz FPUQOMODOGCYKR-WMLDXEAASA-N 0 1 387.281 2.967 20 0 GFADMN Cc1[nH]ncc1CNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000298666059 563363422 /nfs/dbraw/zinc/36/34/22/563363422.db2.gz 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C[C@@H](NCCS(=O)(=O)CCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000282268186 563404432 /nfs/dbraw/zinc/40/44/32/563404432.db2.gz DDUSTSNGBAHMCU-VOIUYBSRSA-N 0 1 379.547 2.732 20 0 GFADMN CN1CCC[C@H]1CNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000425157874 563406786 /nfs/dbraw/zinc/40/67/86/563406786.db2.gz PLITVMZOTBBXLT-ZDUSSCGKSA-N 0 1 383.311 2.975 20 0 GFADMN CN(C)C(=O)Sc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000375511461 563408084 /nfs/dbraw/zinc/40/80/84/563408084.db2.gz IFLNASUEYDEPRM-CHWSQXEVSA-N 0 1 375.416 2.556 20 0 GFADMN O=C(CCN1CCO[C@@]2(CCCOC2)C1)Nc1ccc(Br)cc1 ZINC000375630271 563412742 /nfs/dbraw/zinc/41/27/42/563412742.db2.gz LHTKVVPUSYPHBK-KRWDZBQOSA-N 0 1 383.286 2.659 20 0 GFADMN O=S1(=O)CC[C@H](CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000375753716 563416810 /nfs/dbraw/zinc/41/68/10/563416810.db2.gz AHQFHODFLGWNKG-CYBMUJFWSA-N 0 1 377.337 2.940 20 0 GFADMN Cc1ccc(Br)cc1CC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425293099 563417084 /nfs/dbraw/zinc/41/70/84/563417084.db2.gz BBJTWJKXKFZBRT-LLVKDONJSA-N 0 1 380.242 2.795 20 0 GFADMN NC(=O)c1cnccc1NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000302211817 563423536 /nfs/dbraw/zinc/42/35/36/563423536.db2.gz HAGLTDXRBCJZSZ-LBPRGKRZSA-N 0 1 375.270 2.881 20 0 GFADMN COC(=O)[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425513873 563426525 /nfs/dbraw/zinc/42/65/25/563426525.db2.gz SSLIFIGZQVOUNX-JKSUJKDBSA-N 0 1 397.313 2.504 20 0 GFADMN COc1ccc(Br)cc1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376166885 563432138 /nfs/dbraw/zinc/43/21/38/563432138.db2.gz OMKMLRIJSSUZMP-SWLSCSKDSA-N 0 1 382.302 2.693 20 0 GFADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1nc2c(s1)CSCC2 ZINC000376190084 563432629 /nfs/dbraw/zinc/43/26/29/563432629.db2.gz UTTRWMYQTICWAP-UHFFFAOYSA-N 0 1 387.483 2.695 20 0 GFADMN COc1c(Br)cc(Br)cc1CN[C@@H]1CC(=O)N(C)C1 ZINC000312049915 563435766 /nfs/dbraw/zinc/43/57/66/563435766.db2.gz BOOJIQCHLJDLDJ-SNVBAGLBSA-N 0 1 392.091 2.541 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1ccn(CCC(F)(F)F)n1)c1cccs1 ZINC000425764029 563436351 /nfs/dbraw/zinc/43/63/51/563436351.db2.gz SIKVYKVCXQYFQP-NSHDSACASA-N 0 1 375.420 3.321 20 0 GFADMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(I)c[nH]3)C2)n[nH]1 ZINC000283195145 563437938 /nfs/dbraw/zinc/43/79/38/563437938.db2.gz MJBGAKVSMKJQAK-SNVBAGLBSA-N 0 1 384.221 2.671 20 0 GFADMN CCOC(=O)[C@](C)(CNCc1c(Br)cnn1C)c1ccccc1 ZINC000425970677 563441415 /nfs/dbraw/zinc/44/14/15/563441415.db2.gz IAKGHLNKPLUWPC-QGZVFWFLSA-N 0 1 380.286 2.793 20 0 GFADMN O=S(=O)(c1ccc(F)cc1Br)N1CC[C@H](N2CCCCC2)C1 ZINC000316847887 563441707 /nfs/dbraw/zinc/44/17/07/563441707.db2.gz MBERUNNCKHVLQC-ZDUSSCGKSA-N 0 1 391.306 2.837 20 0 GFADMN CCOCCCNC(=O)[C@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000283335854 563442016 /nfs/dbraw/zinc/44/20/16/563442016.db2.gz AQMXEUVZHKLZKW-WFASDCNBSA-N 0 1 385.302 2.794 20 0 GFADMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cc1 ZINC000426193787 563446126 /nfs/dbraw/zinc/44/61/26/563446126.db2.gz KCPKBBUIPPOQRK-UHFFFAOYSA-N 0 1 398.282 2.936 20 0 GFADMN C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-])c1ccc(Br)cc1 ZINC000321068541 563447767 /nfs/dbraw/zinc/44/77/67/563447767.db2.gz PEWJPDQAJNFKMZ-DOMZBBRYSA-N 0 1 383.286 2.956 20 0 GFADMN O=S(=O)(Nc1ccccc1-n1cncn1)c1ccc(Br)c(F)c1 ZINC000323132010 563450851 /nfs/dbraw/zinc/45/08/51/563450851.db2.gz YJCMXKZFDDCVGI-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN C[C@H]1CC[C@H](C)N1CC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427549871 563469630 /nfs/dbraw/zinc/46/96/30/563469630.db2.gz MXCMEBKYEQKLBA-RYUDHWBXSA-N 0 1 375.332 2.704 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000328994641 563470010 /nfs/dbraw/zinc/47/00/10/563470010.db2.gz DZZPWKLGABXPAK-TUVASFSCSA-N 0 1 391.269 2.659 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000329035526 563470739 /nfs/dbraw/zinc/47/07/39/563470739.db2.gz RAFOUUMANDVULJ-QPSCCSFWSA-N 0 1 391.269 2.659 20 0 GFADMN NC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccc(Br)cc1 ZINC000427834635 563477057 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C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000428191257 563484558 /nfs/dbraw/zinc/48/45/58/563484558.db2.gz JPRJQTZZUWDARK-FZMZJTMJSA-N 0 1 385.327 2.680 20 0 GFADMN C[C@@H]1CN(C(=O)CN[C@@H](c2cncc(Br)c2)C2CC2)C[C@@H](C)O1 ZINC000284822123 563491262 /nfs/dbraw/zinc/49/12/62/563491262.db2.gz PXKCOTHYOJKPGB-PSTGCABASA-N 0 1 382.302 2.521 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414932 563491604 /nfs/dbraw/zinc/49/16/04/563491604.db2.gz SGCNJGWTHTXICZ-LKFCYVNXSA-N 0 1 393.734 2.864 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)NCCc3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000378044895 563494358 /nfs/dbraw/zinc/49/43/58/563494358.db2.gz YGJGHQUOCOHLQT-CYBMUJFWSA-N 0 1 384.267 2.746 20 0 GFADMN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000378077724 563495232 /nfs/dbraw/zinc/49/52/32/563495232.db2.gz NIVRTJCVJNRJAG-UHFFFAOYSA-N 0 1 381.263 2.853 20 0 GFADMN O=C(CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)Nc1cc(Cl)ccc1Cl ZINC000378072628 563495292 /nfs/dbraw/zinc/49/52/92/563495292.db2.gz SBPIXPOJFAJSAT-SNVBAGLBSA-N 0 1 382.251 2.512 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc3nc(C)sc3c2)C[C@@H]1N1CCCC1 ZINC000330181818 563497763 /nfs/dbraw/zinc/49/77/63/563497763.db2.gz GXFNOERKKMGBJO-DOTOQJQBSA-N 0 1 397.591 2.805 20 0 GFADMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cncc(Br)c1 ZINC000285055076 563500954 /nfs/dbraw/zinc/50/09/54/563500954.db2.gz JDBVEWOVDJNRMA-CQSZACIVSA-N 0 1 399.266 2.813 20 0 GFADMN Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)c1Br ZINC000378273082 563501045 /nfs/dbraw/zinc/50/10/45/563501045.db2.gz QMCAUCKWQACEFB-GOEBONIOSA-N 0 1 381.314 2.988 20 0 GFADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccccc1F ZINC000428797253 563501880 /nfs/dbraw/zinc/50/18/80/563501880.db2.gz PQWMVIBCYSDFKW-SJKOYZFVSA-N 0 1 395.272 2.916 20 0 GFADMN CCC1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCOCC1 ZINC000330555231 563511237 /nfs/dbraw/zinc/51/12/37/563511237.db2.gz ZDMCFFSLDHSWAD-UHFFFAOYSA-N 0 1 384.242 2.965 20 0 GFADMN COC(=O)Cn1cc(CCN2CCC[C@H]2c2ccc(Br)s2)nn1 ZINC000378646914 563513655 /nfs/dbraw/zinc/51/36/55/563513655.db2.gz HZRAEOUSDPPURP-LBPRGKRZSA-N 0 1 399.314 2.655 20 0 GFADMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000380099882 563514363 /nfs/dbraw/zinc/51/43/63/563514363.db2.gz MYBRNKUMHQGAKA-SNVBAGLBSA-N 0 1 381.723 2.817 20 0 GFADMN CC(C)CN(C)S(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000330724349 563519191 /nfs/dbraw/zinc/51/91/91/563519191.db2.gz GROCIOUESFSIHV-UHFFFAOYSA-N 0 1 387.977 2.974 20 0 GFADMN O=c1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)nc2ccc(Cl)cn12 ZINC000285419802 563520085 /nfs/dbraw/zinc/52/00/85/563520085.db2.gz DOSSMDYFXHPVSM-OAHLLOKOSA-N 0 1 375.778 2.627 20 0 GFADMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429830562 563524125 /nfs/dbraw/zinc/52/41/25/563524125.db2.gz WVVASAMTPCATIC-LLVKDONJSA-N 0 1 381.723 2.817 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)NC1(c2nnc[nH]2)CCC1 ZINC000285608907 563528605 /nfs/dbraw/zinc/52/86/05/563528605.db2.gz LXHCVZQTQUUMLO-UHFFFAOYSA-N 0 1 385.287 2.542 20 0 GFADMN CN1CCN(c2ccc(CNC(=O)c3cscc3Br)cn2)CC1 ZINC000285614000 563528990 /nfs/dbraw/zinc/52/89/90/563528990.db2.gz WOXVNDIUXGZLLE-UHFFFAOYSA-N 0 1 395.326 2.587 20 0 GFADMN COC[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H](C)O1 ZINC000331042313 563533083 /nfs/dbraw/zinc/53/30/83/563533083.db2.gz RDOCURVHKVPKNA-RISCZKNCSA-N 0 1 394.269 2.715 20 0 GFADMN C[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153815 563534491 /nfs/dbraw/zinc/53/44/91/563534491.db2.gz CRRXQLXXUHUUPO-CMPLNLGQSA-N 0 1 379.295 2.663 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C)S1=O ZINC000331097567 563535046 /nfs/dbraw/zinc/53/50/46/563535046.db2.gz BELLPDLVNUWLRK-QWRGUYRKSA-N 0 1 396.310 2.821 20 0 GFADMN CCN1CCCC[C@H]1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430156080 563536789 /nfs/dbraw/zinc/53/67/89/563536789.db2.gz LVSSCHIQHATYDJ-RDJZCZTQSA-N 0 1 383.330 2.591 20 0 GFADMN CCN1CCCC[C@@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430163405 563537277 /nfs/dbraw/zinc/53/72/77/563537277.db2.gz HPYYXANMCYQQRH-RHSMWYFYSA-N 0 1 383.330 2.591 20 0 GFADMN NC(=O)[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000331180498 563538583 /nfs/dbraw/zinc/53/85/83/563538583.db2.gz QYXDZXDCLZOHDB-BBRMVZONSA-N 0 1 382.302 2.680 20 0 GFADMN O=C(NCCCc1nc[nH]n1)Nc1nc(SCc2ccccc2)ns1 ZINC000285861897 563540228 /nfs/dbraw/zinc/54/02/28/563540228.db2.gz QWPALEALANQXOK-UHFFFAOYSA-N 0 1 375.483 2.703 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1F ZINC000331207404 563540726 /nfs/dbraw/zinc/54/07/26/563540726.db2.gz YURBGADOAJTMSI-KGLIPLIRSA-N 0 1 379.295 2.538 20 0 GFADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000331229319 563541293 /nfs/dbraw/zinc/54/12/93/563541293.db2.gz GWJJSDFVYCTXHQ-CYBMUJFWSA-N 0 1 380.432 2.779 20 0 GFADMN Cc1nc2ccc(NS(=O)(=O)c3cc(Br)ccc3C)cn2n1 ZINC000430358551 563542292 /nfs/dbraw/zinc/54/22/92/563542292.db2.gz ONGVQDBGGPHZGG-UHFFFAOYSA-N 0 1 381.255 2.909 20 0 GFADMN Cc1nc2ccc(NS(=O)(=O)c3cccc(C)c3Br)cn2n1 ZINC000430360786 563542335 /nfs/dbraw/zinc/54/23/35/563542335.db2.gz AZLBBIFUOQZNFJ-UHFFFAOYSA-N 0 1 381.255 2.909 20 0 GFADMN CC(C)N(C)C(=O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000331276149 563543659 /nfs/dbraw/zinc/54/36/59/563543659.db2.gz CLRKGTOYRIREMY-UHFFFAOYSA-N 0 1 396.329 2.966 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1Cl ZINC000331300561 563544099 /nfs/dbraw/zinc/54/40/99/563544099.db2.gz PJIGMSYERZKPBY-QWHCGFSZSA-N 0 1 387.933 2.697 20 0 GFADMN CC(C)S(=O)(=O)c1ccc(C[S@@](=O)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000430901966 563550308 /nfs/dbraw/zinc/55/03/08/563550308.db2.gz WFWBXYHQVFEXPU-XMMPIXPASA-N 0 1 383.539 2.733 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CN1C1CC1 ZINC000331481434 563550700 /nfs/dbraw/zinc/55/07/00/563550700.db2.gz JLYKUCBITTXQQN-RYUDHWBXSA-N 0 1 378.416 2.531 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000286161912 563550986 /nfs/dbraw/zinc/55/09/86/563550986.db2.gz LWGIKIBOYQYTJN-NWDGAFQWSA-N 0 1 388.281 2.815 20 0 GFADMN C[C@@]12CCN(C(=O)Cn3c(=O)c4ccccc4[nH]c3=S)C[C@@H]1C2(Cl)Cl ZINC000286205909 563552332 /nfs/dbraw/zinc/55/23/32/563552332.db2.gz LASMQAWODZPHJK-BLLLJJGKSA-N 0 1 398.315 2.728 20 0 GFADMN Cc1nc([C@H](C)NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000286275311 563554233 /nfs/dbraw/zinc/55/42/33/563554233.db2.gz GMHCQTFULAEQNI-ZETCQYMHSA-N 0 1 376.770 2.860 20 0 GFADMN CC(C)(C)OC(=O)NCCCNCc1ncc(I)s1 ZINC000286309369 563555535 /nfs/dbraw/zinc/55/55/35/563555535.db2.gz CVDSNFVTBGXYMU-UHFFFAOYSA-N 0 1 397.282 2.752 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000408434160 563556101 /nfs/dbraw/zinc/55/61/01/563556101.db2.gz PEWUWYULVVBAPL-LBPRGKRZSA-N 0 1 399.314 2.752 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408462019 563557453 /nfs/dbraw/zinc/55/74/53/563557453.db2.gz XRQQPONNGYYOMY-DOMZBBRYSA-N 0 1 379.400 2.727 20 0 GFADMN CS(=O)(=O)C1(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCCC1 ZINC000286402919 563559145 /nfs/dbraw/zinc/55/91/45/563559145.db2.gz JVWUTKDWWHJHJQ-UHFFFAOYSA-N 0 1 387.914 2.879 20 0 GFADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)Cc2nnc[nH]2)C1=O ZINC000286462068 563560919 /nfs/dbraw/zinc/56/09/19/563560919.db2.gz OSJFAWLTSAGGKD-AWEZNQCLSA-N 0 1 392.301 2.811 20 0 GFADMN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ncc(I)s2)C1 ZINC000286515353 563563456 /nfs/dbraw/zinc/56/34/56/563563456.db2.gz NADCXGKUDDVNHJ-MHNGPXOMSA-N 0 1 398.335 2.917 20 0 GFADMN Cc1cnc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cn1 ZINC000331831420 563564273 /nfs/dbraw/zinc/56/42/73/563564273.db2.gz RYFNWNCNKAKHCQ-ZDUSSCGKSA-N 0 1 390.285 2.793 20 0 GFADMN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000331943733 563568293 /nfs/dbraw/zinc/56/82/93/563568293.db2.gz HSLZLFSYRKFNCC-PWSUYJOCSA-N 0 1 379.254 2.666 20 0 GFADMN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000286675619 563570174 /nfs/dbraw/zinc/57/01/74/563570174.db2.gz FLCFXGNYLIBZSE-AWEZNQCLSA-N 0 1 392.253 2.947 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000431908609 563570458 /nfs/dbraw/zinc/57/04/58/563570458.db2.gz DQMIRHNRANOXIU-UHFFFAOYSA-N 0 1 377.447 2.890 20 0 GFADMN C[C@@]1(C(N)=O)CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332002316 563571442 /nfs/dbraw/zinc/57/14/42/563571442.db2.gz QBMZNFDWLBIPPJ-MRXNPFEDSA-N 0 1 378.226 2.678 20 0 GFADMN Cc1cc(CNC(=O)c2cnccc2N(C)C)ccc1I ZINC000410035140 563578983 /nfs/dbraw/zinc/57/89/83/563578983.db2.gz UXOIFTSLDCNMST-UHFFFAOYSA-N 0 1 395.244 2.991 20 0 GFADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000332220899 563584585 /nfs/dbraw/zinc/58/45/85/563584585.db2.gz VVLKYIOXNPCDFR-VXGBXAGGSA-N 0 1 379.258 2.741 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccnc2C(F)(F)F)n[nH]1 ZINC000287300848 563595867 /nfs/dbraw/zinc/59/58/67/563595867.db2.gz JOKAQYZSNPPELI-RKDXNWHRSA-N 0 1 377.392 2.772 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000287436117 563601086 /nfs/dbraw/zinc/60/10/86/563601086.db2.gz GZSDPCXBPIDQRV-VXGBXAGGSA-N 0 1 382.917 2.546 20 0 GFADMN CCC[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCO1 ZINC000332484552 563601201 /nfs/dbraw/zinc/60/12/01/563601201.db2.gz ANZOOGGROHYTPD-GFCCVEGCSA-N 0 1 379.254 2.932 20 0 GFADMN CCC[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCO1 ZINC000332484556 563601765 /nfs/dbraw/zinc/60/17/65/563601765.db2.gz ANZOOGGROHYTPD-LBPRGKRZSA-N 0 1 379.254 2.932 20 0 GFADMN O=C(Nc1nc2cc(Br)ccn2n1)c1ncoc1[C@H]1CCCO1 ZINC000411045642 563602913 /nfs/dbraw/zinc/60/29/13/563602913.db2.gz KQTNQBGULKLATJ-SECBINFHSA-N 0 1 378.186 2.584 20 0 GFADMN O=C([C@@H]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510988 563605269 /nfs/dbraw/zinc/60/52/69/563605269.db2.gz ULXVXRBUEARVEP-CJNGLKHVSA-N 0 1 385.277 2.566 20 0 GFADMN O=C([C@@H]1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510994 563605342 /nfs/dbraw/zinc/60/53/42/563605342.db2.gz ULXVXRBUEARVEP-CZUORRHYSA-N 0 1 385.277 2.566 20 0 GFADMN C[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C[C@@H](C2CC2)O1 ZINC000332939256 563616233 /nfs/dbraw/zinc/61/62/33/563616233.db2.gz FNPFISJPZZXICG-QFYYESIMSA-N 0 1 391.265 2.930 20 0 GFADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000333397125 563630871 /nfs/dbraw/zinc/63/08/71/563630871.db2.gz IAFQAQGIHLQYAC-DGCLKSJQSA-N 0 1 378.416 2.516 20 0 GFADMN Cc1nc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)sc1Br ZINC000333409238 563630988 /nfs/dbraw/zinc/63/09/88/563630988.db2.gz QYZUGMZTJDPCSG-UHFFFAOYSA-N 0 1 396.376 2.709 20 0 GFADMN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)ccc1Br ZINC000434562459 563632413 /nfs/dbraw/zinc/63/24/13/563632413.db2.gz VUJORWMNOCKYNF-OAHLLOKOSA-N 0 1 394.313 2.829 20 0 GFADMN Cc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434557052 563632523 /nfs/dbraw/zinc/63/25/23/563632523.db2.gz CDEKBMMIDGNNEA-AWEZNQCLSA-N 0 1 394.313 2.829 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCOC[C@H]1C1CC1 ZINC000333441580 563632570 /nfs/dbraw/zinc/63/25/70/563632570.db2.gz JUJCIRALBOJSNE-HNNXBMFYSA-N 0 1 377.238 2.542 20 0 GFADMN O=S(=O)(CC1CC(F)(F)C1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000333442801 563632999 /nfs/dbraw/zinc/63/29/99/563632999.db2.gz PYZVWLAOHVXANK-JTQLQIEISA-N 0 1 387.374 2.983 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000434730733 563636420 /nfs/dbraw/zinc/63/64/20/563636420.db2.gz SVIINATXPIZWDZ-DOTOQJQBSA-N 0 1 384.567 2.512 20 0 GFADMN COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000411862109 563638399 /nfs/dbraw/zinc/63/83/99/563638399.db2.gz RMEKZZIMNMWKLX-WDEREUQCSA-N 0 1 393.241 2.762 20 0 GFADMN O=C(N1CCCC1)N1CCC[C@H](NCc2cccc(O)c2Br)C1 ZINC000333840885 563642993 /nfs/dbraw/zinc/64/29/93/563642993.db2.gz NKWIJHKKMGXLLH-AWEZNQCLSA-N 0 1 382.302 2.925 20 0 GFADMN COCC1CCC(NS(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000333882199 563644531 /nfs/dbraw/zinc/64/45/31/563644531.db2.gz DVLSUJIEDGVAMA-UHFFFAOYSA-N 0 1 383.333 2.698 20 0 GFADMN COC(=O)C(C)(C)CS(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000288493027 563645468 /nfs/dbraw/zinc/64/54/68/563645468.db2.gz LZCJXPUQLBFXLV-UHFFFAOYSA-N 0 1 383.495 2.512 20 0 GFADMN C[C@@H]1CC(C)(C)CN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000412050597 563645762 /nfs/dbraw/zinc/64/57/62/563645762.db2.gz YYUWGHLSSQGPGS-GFCCVEGCSA-N 0 1 382.302 2.624 20 0 GFADMN COC(=O)[C@@H]1CSCCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000412074588 563646823 /nfs/dbraw/zinc/64/68/23/563646823.db2.gz LVGWAAKRHQURSW-ZFWWWQNUSA-N 0 1 384.929 2.697 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c(F)cc1Br ZINC000333951338 563647176 /nfs/dbraw/zinc/64/71/76/563647176.db2.gz YXOOGKLJMYYJTH-UHFFFAOYSA-N 0 1 388.262 2.920 20 0 GFADMN O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000333971874 563648450 /nfs/dbraw/zinc/64/84/50/563648450.db2.gz WNAOGTOHACSKJY-ABAIWWIYSA-N 0 1 381.885 2.705 20 0 GFADMN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000435417043 563648686 /nfs/dbraw/zinc/64/86/86/563648686.db2.gz QWEVJIFIVLQHGR-DOMZBBRYSA-N 0 1 385.339 2.868 20 0 GFADMN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC[C@H]1CN(C)CCN1C ZINC000435417043 563648690 /nfs/dbraw/zinc/64/86/90/563648690.db2.gz QWEVJIFIVLQHGR-DOMZBBRYSA-N 0 1 385.339 2.868 20 0 GFADMN CNc1cc(I)ccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000412256825 563651763 /nfs/dbraw/zinc/65/17/63/563651763.db2.gz WEXPJLIXULSMAT-UHFFFAOYSA-N 0 1 397.220 2.971 20 0 GFADMN CNc1cc(I)ccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000412256825 563651765 /nfs/dbraw/zinc/65/17/65/563651765.db2.gz WEXPJLIXULSMAT-UHFFFAOYSA-N 0 1 397.220 2.971 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C[C@H](C)S1(=O)=O ZINC000288711289 563654562 /nfs/dbraw/zinc/65/45/62/563654562.db2.gz OCUUVQIGYWGWPX-SMDDNHRTSA-N 0 1 381.885 2.768 20 0 GFADMN O=C1[C@@H]2CCCCN2C(=O)N1Cc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000348875849 563657178 /nfs/dbraw/zinc/65/71/78/563657178.db2.gz PATBGBWGAGEMCD-LBPRGKRZSA-N 0 1 390.241 2.551 20 0 GFADMN O=C1[C@@H]2CCCCN2C(=O)N1Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000348875849 563657182 /nfs/dbraw/zinc/65/71/82/563657182.db2.gz PATBGBWGAGEMCD-LBPRGKRZSA-N 0 1 390.241 2.551 20 0 GFADMN O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1[C@H]1CCc2nc[nH]c2C1 ZINC000348993124 563658643 /nfs/dbraw/zinc/65/86/43/563658643.db2.gz XJCKAEXROOYUNB-WFASDCNBSA-N 0 1 379.247 2.737 20 0 GFADMN C[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CCN1CC(C)(C)O ZINC000435858772 563659519 /nfs/dbraw/zinc/65/95/19/563659519.db2.gz RWRBSSJKOQMXOL-CQSZACIVSA-N 0 1 385.961 2.919 20 0 GFADMN CCN1CCN(CC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000436006907 563662115 /nfs/dbraw/zinc/66/21/15/563662115.db2.gz OKDIACIUSVYWSK-SHTZXODSSA-N 0 1 398.320 2.588 20 0 GFADMN CC(C)N1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Br)c2)C1 ZINC000412626732 563663583 /nfs/dbraw/zinc/66/35/83/563663583.db2.gz UWBQLTPTAHCNKT-CQSZACIVSA-N 0 1 375.694 2.828 20 0 GFADMN CC(C)(CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)S(C)(=O)=O ZINC000412636495 563664812 /nfs/dbraw/zinc/66/48/12/563664812.db2.gz GHPWGXXEYHBITE-UHFFFAOYSA-N 0 1 375.903 2.735 20 0 GFADMN COc1c(NS(=O)(=O)c2cc(C)cc(Br)c2)cccc1C(N)=O ZINC000436201269 563667892 /nfs/dbraw/zinc/66/78/92/563667892.db2.gz UAFNOPUCDFVHAE-UHFFFAOYSA-N 0 1 399.266 2.666 20 0 GFADMN NC(=O)c1cc(NS(=O)(=O)c2cnc3ccc(F)cc3c2)ccc1Cl ZINC000436476806 563671044 /nfs/dbraw/zinc/67/10/44/563671044.db2.gz GPMYKFFHMROOAN-UHFFFAOYSA-N 0 1 379.800 2.927 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cnc([C@@H](C)O)s2)cc1 ZINC000289255195 563672830 /nfs/dbraw/zinc/67/28/30/563672830.db2.gz MDYRRJRINZMZNM-CYBMUJFWSA-N 0 1 383.539 2.517 20 0 GFADMN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(Cl)cc1O ZINC000436566862 563674219 /nfs/dbraw/zinc/67/42/19/563674219.db2.gz VXCAFADWVYZKIY-UHFFFAOYSA-N 0 1 382.825 2.543 20 0 GFADMN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)c1ccccc1Cl ZINC000436695163 563677039 /nfs/dbraw/zinc/67/70/39/563677039.db2.gz DSKFEEKRXUTUGD-NSHDSACASA-N 0 1 382.869 2.787 20 0 GFADMN C[C@@H]1NC(=O)N(CCSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)C1=O ZINC000413002238 563679519 /nfs/dbraw/zinc/67/95/19/563679519.db2.gz UHLGBKZGISITGX-ZETCQYMHSA-N 0 1 386.264 2.811 20 0 GFADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(Br)nc1 ZINC000289912597 563690893 /nfs/dbraw/zinc/69/08/93/563690893.db2.gz USUQIYDPPNLQJV-ZDUSSCGKSA-N 0 1 398.326 2.614 20 0 GFADMN CN(C)[C@H](CNS(=O)(=O)c1cnc2ccsc2c1)Cc1ccccc1 ZINC000437232259 563691349 /nfs/dbraw/zinc/69/13/49/563691349.db2.gz LIEHDQZYFQDLOA-HNNXBMFYSA-N 0 1 375.519 2.748 20 0 GFADMN Cc1c(Br)cccc1NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000360535091 563692851 /nfs/dbraw/zinc/69/28/51/563692851.db2.gz AAYNMVORHJFWHF-HZPDHXFCSA-N 0 1 382.302 2.820 20 0 GFADMN Cc1ccc(Br)cc1-c1nnc(N2C[C@H]3OCCN(C)[C@H]3C2)s1 ZINC000413466822 563693296 /nfs/dbraw/zinc/69/32/96/563693296.db2.gz AUYXSJFHSRFGRI-UONOGXRCSA-N 0 1 395.326 2.795 20 0 GFADMN COCC(COC)N1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000413482155 563693963 /nfs/dbraw/zinc/69/39/63/563693963.db2.gz XVJBYKDGVDREJS-UHFFFAOYSA-N 0 1 394.313 2.781 20 0 GFADMN Cc1c(NC(=O)c2cc(I)c[nH]2)[nH]nc1-c1ccncc1 ZINC000361105209 563696757 /nfs/dbraw/zinc/69/67/57/563696757.db2.gz RTIVZTHWRNJMCL-UHFFFAOYSA-N 0 1 393.188 2.965 20 0 GFADMN O=S(=O)(Nc1cc(F)c(F)cc1I)c1ccco1 ZINC000437663302 563697441 /nfs/dbraw/zinc/69/74/41/563697441.db2.gz AQNRCLWOOAWAHQ-UHFFFAOYSA-N 0 1 385.129 2.963 20 0 GFADMN c1csc(-c2nc(CNC[C@]3(N4CCOCC4)CCCOC3)cs2)c1 ZINC000362221565 563704248 /nfs/dbraw/zinc/70/42/48/563704248.db2.gz OWVUSAPCDVQCDI-GOSISDBHSA-N 0 1 379.551 2.843 20 0 GFADMN O=C(NC[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1)C(F)(F)F ZINC000290349671 563706321 /nfs/dbraw/zinc/70/63/21/563706321.db2.gz LEBPIZMQHYKHGL-MRVPVSSYSA-N 0 1 383.164 2.573 20 0 GFADMN O=S1(=O)CCCN1CCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000438593832 563707943 /nfs/dbraw/zinc/70/79/43/563707943.db2.gz CQOZCUQFSHNLIZ-UHFFFAOYSA-N 0 1 376.444 2.920 20 0 GFADMN C[C@@H]1CN(C[C@H](O)Cn2ccnc2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000438829833 563711572 /nfs/dbraw/zinc/71/15/72/563711572.db2.gz RUDOHSZMFXOQAI-CPUCHLNUSA-N 0 1 394.313 2.783 20 0 GFADMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(I)cc1 ZINC000290499497 563712233 /nfs/dbraw/zinc/71/22/33/563712233.db2.gz YDFUBRHVZYMRJE-LLVKDONJSA-N 0 1 381.279 2.765 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438909276 563713221 /nfs/dbraw/zinc/71/32/21/563713221.db2.gz IMADRBFBNIBMEU-YVEFUNNKSA-N 0 1 391.309 2.649 20 0 GFADMN CN(CCc1ccc(Br)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363139566 563715855 /nfs/dbraw/zinc/71/58/55/563715855.db2.gz SNXKQVVCPGNFLZ-QGZVFWFLSA-N 0 1 381.314 2.703 20 0 GFADMN COCCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000363592554 563727640 /nfs/dbraw/zinc/72/76/40/563727640.db2.gz OQNUBBZBACPPKS-DLBZAZTESA-N 0 1 381.314 2.733 20 0 GFADMN CN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCN(C2CC2)C1 ZINC000439594971 563728883 /nfs/dbraw/zinc/72/88/83/563728883.db2.gz JFENKNLDLSVJFW-LBPRGKRZSA-N 0 1 376.507 2.505 20 0 GFADMN CO[C@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000363675261 563729998 /nfs/dbraw/zinc/72/99/98/563729998.db2.gz OAPHKEXZTPYPIA-ZDUSSCGKSA-N 0 1 375.332 2.970 20 0 GFADMN Cc1nc(NC(=O)C(=O)NC2CCN(Cc3ccsc3)CC2)sc1C ZINC000363663357 563730419 /nfs/dbraw/zinc/73/04/19/563730419.db2.gz DYFCBIDLRIOQFE-UHFFFAOYSA-N 0 1 378.523 2.541 20 0 GFADMN Cn1cc(CNCCNC(=O)c2cccc(Br)c2)c(C(F)F)n1 ZINC000291157980 563732726 /nfs/dbraw/zinc/73/27/26/563732726.db2.gz IBZXQOUMISRLSP-UHFFFAOYSA-N 0 1 387.228 2.640 20 0 GFADMN Cn1cc(CNCCNC(=O)c2ccc(Br)cc2)c(C(F)F)n1 ZINC000291170704 563733750 /nfs/dbraw/zinc/73/37/50/563733750.db2.gz JRWKAYOESHSILZ-UHFFFAOYSA-N 0 1 387.228 2.640 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)s1 ZINC000440079491 563735224 /nfs/dbraw/zinc/73/52/24/563735224.db2.gz YKCJEDZJRRVEEO-BLLLJJGKSA-N 0 1 382.507 2.504 20 0 GFADMN O=S(=O)(NCCc1nnc(-c2ccccc2)[nH]1)c1cccc(Cl)c1F ZINC000440084338 563736282 /nfs/dbraw/zinc/73/62/82/563736282.db2.gz ZUPYTQVFWQUDGF-UHFFFAOYSA-N 0 1 380.832 2.785 20 0 GFADMN CN1CCC2(CCCN2S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000363943151 563737762 /nfs/dbraw/zinc/73/77/62/563737762.db2.gz CUBLREQVLLIQQF-UHFFFAOYSA-N 0 1 378.416 2.676 20 0 GFADMN Cc1ncc(S(=O)(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000363951914 563737964 /nfs/dbraw/zinc/73/79/64/563737964.db2.gz XTLGMUHJWCXRFS-CYBMUJFWSA-N 0 1 375.479 2.762 20 0 GFADMN Cc1occc1CNCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000414444248 563738139 /nfs/dbraw/zinc/73/81/39/563738139.db2.gz UNEAPZSBFRRTDO-UHFFFAOYSA-N 0 1 387.299 2.727 20 0 GFADMN COCCO[C@@H]1CCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000364253051 563747433 /nfs/dbraw/zinc/74/74/33/563747433.db2.gz CLDOKCGORUJNCL-OAHLLOKOSA-N 0 1 386.945 2.877 20 0 GFADMN CC(C)[C@H](C(=O)[O-])N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000414665516 563749273 /nfs/dbraw/zinc/74/92/73/563749273.db2.gz ULCFFCXGBRLQRL-SMDDNHRTSA-N 0 1 377.243 2.932 20 0 GFADMN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000440825118 563751156 /nfs/dbraw/zinc/75/11/56/563751156.db2.gz ISOHYUFVGSWOGX-ZCFIWIBFSA-N 0 1 376.103 2.772 20 0 GFADMN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1)c1nnc[nH]1 ZINC000364374458 563751278 /nfs/dbraw/zinc/75/12/78/563751278.db2.gz NAWFQUIKGAJQEU-BXGCZWRVSA-N 0 1 382.251 2.508 20 0 GFADMN Cc1n[nH]c(C2CCN(Cc3nnc(-c4ccc(Br)o4)o3)CC2)n1 ZINC000364377293 563751400 /nfs/dbraw/zinc/75/14/00/563751400.db2.gz NMDKLJGBLNLQOK-UHFFFAOYSA-N 0 1 393.245 2.898 20 0 GFADMN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1)C(F)(F)F ZINC000291647668 563751507 /nfs/dbraw/zinc/75/15/07/563751507.db2.gz UHVDWKNNLCEVDB-WCQYABFASA-N 0 1 377.432 2.885 20 0 GFADMN COc1ccc(-c2nc(C[S@@](=O)Cc3n[nH]c(C)n3)cs2)c(OC)c1 ZINC000291846059 563761558 /nfs/dbraw/zinc/76/15/58/563761558.db2.gz FIJFJWSIJMHYQN-RUZDIDTESA-N 0 1 378.479 2.703 20 0 GFADMN COc1cccc(-c2nc(C[S@@](=O)Cc3n[nH]c(C)n3)cs2)c1OC ZINC000291871440 563762144 /nfs/dbraw/zinc/76/21/44/563762144.db2.gz HKFTVNRIFQELOG-RUZDIDTESA-N 0 1 378.479 2.703 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000364922261 563768844 /nfs/dbraw/zinc/76/88/44/563768844.db2.gz MORVBXBQPJBTMZ-LLVKDONJSA-N 0 1 375.694 2.631 20 0 GFADMN Nc1c(F)cc(Cl)cc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000292190433 563777953 /nfs/dbraw/zinc/77/79/53/563777953.db2.gz YZHXLEPBRJWOIM-MRVPVSSYSA-N 0 1 381.757 2.592 20 0 GFADMN COc1ccc(NS(=O)(=O)c2ccc(Br)c(OC)c2)c(O)c1 ZINC000442838473 563781390 /nfs/dbraw/zinc/78/13/90/563781390.db2.gz SSMPDQWDRMTRAS-UHFFFAOYSA-N 0 1 388.239 2.973 20 0 GFADMN Cc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ncn1 ZINC000292341720 563782681 /nfs/dbraw/zinc/78/26/81/563782681.db2.gz CYSWZMOPKVVYTQ-CYBMUJFWSA-N 0 1 390.285 2.793 20 0 GFADMN CNC(=O)CCN(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442886881 563783034 /nfs/dbraw/zinc/78/30/34/563783034.db2.gz VEUMAFASPVZOEY-AWEZNQCLSA-N 0 1 385.302 2.575 20 0 GFADMN COc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442891006 563783325 /nfs/dbraw/zinc/78/33/25/563783325.db2.gz QQYJVCVBKQLMEV-JTQLQIEISA-N 0 1 376.450 2.664 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1Cl ZINC000415627769 563788847 /nfs/dbraw/zinc/78/88/47/563788847.db2.gz CNSWAXSJTYFNHN-PHIMTYICSA-N 0 1 386.279 2.684 20 0 GFADMN O=C(N1CCO[C@H](c2nn[nH]n2)C1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000365678515 563790980 /nfs/dbraw/zinc/79/09/80/563790980.db2.gz PKUJPQHTBUYAAM-LBPRGKRZSA-N 0 1 382.251 2.528 20 0 GFADMN Cn1cc(-c2cc(NC(=O)c3ccc(Br)cc3O)n(C)n2)cn1 ZINC000365730776 563791486 /nfs/dbraw/zinc/79/14/86/563791486.db2.gz BTVDHTPPLOUQNH-UHFFFAOYSA-N 0 1 376.214 2.541 20 0 GFADMN CS(=O)(=O)C1(CNCc2c(Cl)cccc2N2CCOCC2)CCCC1 ZINC000293067300 563799631 /nfs/dbraw/zinc/79/96/31/563799631.db2.gz VEBDPSYZEOMPKH-UHFFFAOYSA-N 0 1 386.945 2.624 20 0 GFADMN C[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)[C@@H](C)S(C)(=O)=O ZINC000416194382 563809212 /nfs/dbraw/zinc/80/92/12/563809212.db2.gz RJEQLZRISGRZBX-RWSFTLGLSA-N 0 1 383.901 2.949 20 0 GFADMN O=C(Cc1ccccc1I)N1CCC(c2cnc[nH]2)CC1 ZINC000366479727 563809785 /nfs/dbraw/zinc/80/97/85/563809785.db2.gz NZIWJAUVPWYEAM-UHFFFAOYSA-N 0 1 395.244 2.963 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCCOc1ccccc1Br ZINC000416299559 563814247 /nfs/dbraw/zinc/81/42/47/563814247.db2.gz SEZKAQWUQGOWFH-LSDHHAIUSA-N 0 1 399.329 2.522 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293490249 563815093 /nfs/dbraw/zinc/81/50/93/563815093.db2.gz STMQCARIWVGMCI-ZNMIVQPWSA-N 0 1 382.346 2.820 20 0 GFADMN CCOC(=O)CN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)C(C)C ZINC000444070079 563819881 /nfs/dbraw/zinc/81/98/81/563819881.db2.gz GXKGRKYJNNLGRT-UHFFFAOYSA-N 0 1 395.253 2.704 20 0 GFADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000293602699 563820207 /nfs/dbraw/zinc/82/02/07/563820207.db2.gz XYCIQTPSDWMFBY-DOMZBBRYSA-N 0 1 388.917 2.620 20 0 GFADMN OC[C@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000293851128 563826040 /nfs/dbraw/zinc/82/60/40/563826040.db2.gz BMZHJSKZFVVWKC-HNNXBMFYSA-N 0 1 383.330 2.880 20 0 GFADMN Cn1cc([C@H](NC[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)c(Cl)c2)cn1 ZINC000367055976 563829561 /nfs/dbraw/zinc/82/95/61/563829561.db2.gz UVRNXLOBVPFTSS-YVEFUNNKSA-N 0 1 385.892 2.716 20 0 GFADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H](C)[C@H](C)O1 ZINC000444373980 563830937 /nfs/dbraw/zinc/83/09/37/563830937.db2.gz XPXOABKKFMZAFT-VWYCJHECSA-N 0 1 379.254 2.929 20 0 GFADMN O=C(N[C@H]1CCN(c2cccnc2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000367092288 563831017 /nfs/dbraw/zinc/83/10/17/563831017.db2.gz DOFAGURODKUPKZ-LBPRGKRZSA-N 0 1 386.253 2.729 20 0 GFADMN COc1cc(S(=O)(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)ccc1Cl ZINC000416465864 563833029 /nfs/dbraw/zinc/83/30/29/563833029.db2.gz NICHEMAXCLYRQO-GDBMZVCRSA-N 0 1 390.958 2.549 20 0 GFADMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc32)CCN1CC(C)(C)O ZINC000444548370 563833247 /nfs/dbraw/zinc/83/32/47/563833247.db2.gz JHODMMHQYYXKCT-GFCCVEGCSA-N 0 1 394.313 2.848 20 0 GFADMN Cc1nn(-c2ccccn2)c(Cl)c1CN1CCN([C@H]2CCSC2)CC1 ZINC000367317370 563840591 /nfs/dbraw/zinc/84/05/91/563840591.db2.gz KIVKOTBVMICUQB-HNNXBMFYSA-N 0 1 377.945 2.852 20 0 GFADMN O=C1CC[C@H](NCc2nc(-c3ccc(Br)cc3)c[nH]2)[C@H](C2CC2)N1 ZINC000367423777 563844446 /nfs/dbraw/zinc/84/44/46/563844446.db2.gz NFPUYPIYYFNYJY-KSSFIOAISA-N 0 1 389.297 2.986 20 0 GFADMN COc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccsc2)c(C)c1F ZINC000416551979 563846824 /nfs/dbraw/zinc/84/68/24/563846824.db2.gz HDLKFTBDTBHKLQ-UHFFFAOYSA-N 0 1 386.514 2.957 20 0 GFADMN C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000416564915 563849209 /nfs/dbraw/zinc/84/92/09/563849209.db2.gz SHTGJOUMMNLIGB-LLVKDONJSA-N 0 1 379.295 2.598 20 0 GFADMN O=S1(=O)CCCN1c1ccc(N[C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000294652709 563849761 /nfs/dbraw/zinc/84/97/61/563849761.db2.gz GVEMNLNTLJNIBE-OAHLLOKOSA-N 0 1 375.479 2.608 20 0 GFADMN COc1c(C)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1C ZINC000445711539 563852703 /nfs/dbraw/zinc/85/27/03/563852703.db2.gz IPGRCBFYGXGSQM-DLBZAZTESA-N 0 1 384.567 2.512 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000368226051 563866700 /nfs/dbraw/zinc/86/67/00/563866700.db2.gz JRXWIOXKRSXHKR-HOTGVXAUSA-N 0 1 382.917 2.617 20 0 GFADMN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(C2N=NC(=S)O2)CC1 ZINC000368510068 563872921 /nfs/dbraw/zinc/87/29/21/563872921.db2.gz IQQCCDQYMJPWPY-LBPRGKRZSA-N 0 1 379.869 2.969 20 0 GFADMN CN(C)c1ncc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447066224 563873763 /nfs/dbraw/zinc/87/37/63/563873763.db2.gz DBJGDUMFCPMGRQ-CQSZACIVSA-N 0 1 395.326 2.867 20 0 GFADMN COc1cc(Br)ccc1CN[C@H]1CCCc2c1cnn2CCO ZINC000368624571 563875810 /nfs/dbraw/zinc/87/58/10/563875810.db2.gz WAUHFTAAGQCNLF-HNNXBMFYSA-N 0 1 380.286 2.814 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1C ZINC000447198312 563876811 /nfs/dbraw/zinc/87/68/11/563876811.db2.gz FDCGZMWKBQRBOX-NSHDSACASA-N 0 1 381.361 2.972 20 0 GFADMN C[C@@H]1CN(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CCN1 ZINC000417433325 563880059 /nfs/dbraw/zinc/88/00/59/563880059.db2.gz VCCZHIOALQGERM-CQSZACIVSA-N 0 1 396.329 2.501 20 0 GFADMN COc1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000417577656 563883880 /nfs/dbraw/zinc/88/38/80/563883880.db2.gz XGLHWFPUKFYAPA-MRVPVSSYSA-N 0 1 383.221 2.999 20 0 GFADMN C[C@H](N[C@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000447923641 563890374 /nfs/dbraw/zinc/89/03/74/563890374.db2.gz SXKWUULYAVJYDS-FZZIBODNSA-N 0 1 380.794 2.815 20 0 GFADMN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447944738 563891968 /nfs/dbraw/zinc/89/19/68/563891968.db2.gz SPLGVAXCGZPZTL-AWEZNQCLSA-N 0 1 380.432 2.826 20 0 GFADMN C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CCN1 ZINC000417956920 563893119 /nfs/dbraw/zinc/89/31/19/563893119.db2.gz TWQZAQNHCUELDT-SECBINFHSA-N 0 1 380.208 2.971 20 0 GFADMN O=C1CC[C@H](NCc2ccc(F)cc2I)[C@@H](C2CC2)N1 ZINC000418049475 563896865 /nfs/dbraw/zinc/89/68/65/563896865.db2.gz XTCGFPFFJWJWJO-DZGCQCFKSA-N 0 1 388.224 2.577 20 0 GFADMN O=C1CC[C@H](NCc2ccc(F)cc2I)[C@H](C2CC2)N1 ZINC000418049478 563896910 /nfs/dbraw/zinc/89/69/10/563896910.db2.gz XTCGFPFFJWJWJO-ZFWWWQNUSA-N 0 1 388.224 2.577 20 0 GFADMN CC(C)(CN1CCOCC1)NCc1ccc(F)cc1I ZINC000418095476 563898471 /nfs/dbraw/zinc/89/84/71/563898471.db2.gz JFEHWVNIGQGIJW-UHFFFAOYSA-N 0 1 392.256 2.631 20 0 GFADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418106091 563898950 /nfs/dbraw/zinc/89/89/50/563898950.db2.gz WVJIYSXXBCUILM-OWCLPIDISA-N 0 1 393.329 2.564 20 0 GFADMN COC(=O)c1ccc(CN[C@H]2CCN(CC(F)F)C2)c(Br)c1 ZINC000418141535 563899908 /nfs/dbraw/zinc/89/99/08/563899908.db2.gz WUNJHNCOMPPFSH-LBPRGKRZSA-N 0 1 377.229 2.665 20 0 GFADMN COC(=O)[C@@H](O)C1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000449045223 563906164 /nfs/dbraw/zinc/90/61/64/563906164.db2.gz HJVUERBVZFUWBY-KRWDZBQOSA-N 0 1 393.281 2.743 20 0 GFADMN Cc1cc(Br)c(CNCCC(=O)N2CCOCC2)cc1Cl ZINC000449094263 563906505 /nfs/dbraw/zinc/90/65/05/563906505.db2.gz YOPXDOBUQQSSCK-UHFFFAOYSA-N 0 1 375.694 2.749 20 0 GFADMN COC(=O)COC[C@@H](C)NCc1cc(Br)ccc1Br ZINC000449257274 564178038 /nfs/dbraw/zinc/17/80/38/564178038.db2.gz LKSHJINZWCVASG-SECBINFHSA-N 0 1 395.091 2.879 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)N(C)Cc1cn(CC(=O)OC)nn1 ZINC000449255687 564178119 /nfs/dbraw/zinc/17/81/19/564178119.db2.gz GCJYBOZNTJSWRD-HNNXBMFYSA-N 0 1 395.301 2.667 20 0 GFADMN O=C(NCc1cccc(N2CCC2=O)c1)c1cc(Br)cc2nc[nH]c21 ZINC000505172912 564178273 /nfs/dbraw/zinc/17/82/73/564178273.db2.gz IMHBIBMEAAIRGR-UHFFFAOYSA-N 0 1 399.248 2.992 20 0 GFADMN CC[C@H](O)CN(Cc1ccccc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563211932 564180004 /nfs/dbraw/zinc/18/00/04/564180004.db2.gz RGZKQFUIKOSBHW-KRWDZBQOSA-N 0 1 382.913 2.761 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@H]1C[C@@H]1C(F)F ZINC000449319305 564180506 /nfs/dbraw/zinc/18/05/06/564180506.db2.gz JLRJWSUYKCFDFK-ZHAHWJHGSA-N 0 1 377.229 2.706 20 0 GFADMN CCN(Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC)[C@H]1CCOC1 ZINC000449333184 564180866 /nfs/dbraw/zinc/18/08/66/564180866.db2.gz AMTFYCDWHGIEOT-WFASDCNBSA-N 0 1 385.302 2.573 20 0 GFADMN CC(C)OCCN1CCN(Cc2ccc(I)cc2)CC1 ZINC000538149292 564183332 /nfs/dbraw/zinc/18/33/32/564183332.db2.gz SDIJRXNBGKATDG-UHFFFAOYSA-N 0 1 388.293 2.834 20 0 GFADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1F ZINC000471114272 564185399 /nfs/dbraw/zinc/18/53/99/564185399.db2.gz USBBQKKWMKAZQE-UHFFFAOYSA-N 0 1 395.380 2.631 20 0 GFADMN O=C(N[C@H](CO)c1ccsc1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000505639076 564186320 /nfs/dbraw/zinc/18/63/20/564186320.db2.gz YAURVMZDKIILJD-CQSZACIVSA-N 0 1 393.262 2.816 20 0 GFADMN COc1ccsc1S(=O)(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000471123409 564186658 /nfs/dbraw/zinc/18/66/58/564186658.db2.gz FYJNBFKRYOAKJF-UHFFFAOYSA-N 0 1 396.899 2.582 20 0 GFADMN CCCOc1ccc(Br)cc1CN[C@@H](CC)CNS(C)(=O)=O ZINC000449442592 564186784 /nfs/dbraw/zinc/18/67/84/564186784.db2.gz LGYRWZFQDAYPPE-AWEZNQCLSA-N 0 1 393.347 2.655 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN(CCO)[C@H]1CCO[C@H]1C ZINC000449676564 564194701 /nfs/dbraw/zinc/19/47/01/564194701.db2.gz IBXZOMGXFXVULH-KSSFIOAISA-N 0 1 394.313 2.915 20 0 GFADMN Cc1n[nH]c(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 ZINC000538744459 564199585 /nfs/dbraw/zinc/19/95/85/564199585.db2.gz PPHGVVJMDYODTM-QMMMGPOBSA-N 0 1 387.665 2.655 20 0 GFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H](O)C1CCC1 ZINC000449734733 564199940 /nfs/dbraw/zinc/19/99/40/564199940.db2.gz CXLKGNKHSYGNGL-HNNXBMFYSA-N 0 1 384.454 2.788 20 0 GFADMN COC(=O)CCc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000506600315 564205746 /nfs/dbraw/zinc/20/57/46/564205746.db2.gz KFKNSTLQBOEZMH-UHFFFAOYSA-N 0 1 399.266 2.751 20 0 GFADMN O=C([C@@H]1CCCN(Cc2cc(F)ccc2Br)C1)N1CCOCC1 ZINC000506616521 564206221 /nfs/dbraw/zinc/20/62/21/564206221.db2.gz LUFNZLZUIBUDOG-CYBMUJFWSA-N 0 1 385.277 2.659 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000538957801 564206449 /nfs/dbraw/zinc/20/64/49/564206449.db2.gz KTQBNQAKJGQXIO-ZDUSSCGKSA-N 0 1 383.279 2.630 20 0 GFADMN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NS(=O)(=O)c1ccsc1 ZINC000506690570 564209771 /nfs/dbraw/zinc/20/97/71/564209771.db2.gz QEHKBNYXYDCPQD-UHFFFAOYSA-N 0 1 388.536 2.886 20 0 GFADMN CS[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000539151186 564212295 /nfs/dbraw/zinc/21/22/95/564212295.db2.gz BNPWZTCOONDKJI-GFCCVEGCSA-N 0 1 380.495 2.748 20 0 GFADMN CC[C@@H]1CN(C(=O)Cc2ccc(C)cc2Br)CCN1C[C@H](C)O ZINC000450027086 564213603 /nfs/dbraw/zinc/21/36/03/564213603.db2.gz NUCLPWOXSNFZBC-GOEBONIOSA-N 0 1 383.330 2.604 20 0 GFADMN CC[C@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CCN1C[C@@H](C)O ZINC000450023099 564213778 /nfs/dbraw/zinc/21/37/78/564213778.db2.gz CVPIWNRSEXANNN-CABCVRRESA-N 0 1 383.330 2.983 20 0 GFADMN Cc1nc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)ccc1Br ZINC000564140954 564221771 /nfs/dbraw/zinc/22/17/71/564221771.db2.gz LQFKLHUPLQZNPI-AWEZNQCLSA-N 0 1 390.329 3.170 20 0 GFADMN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccnc(N(C)C)n1 ZINC000539506665 564222013 /nfs/dbraw/zinc/22/20/13/564222013.db2.gz LDWWPNWODHCKKH-LBPRGKRZSA-N 0 1 392.301 2.812 20 0 GFADMN C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000539623866 564224201 /nfs/dbraw/zinc/22/42/01/564224201.db2.gz UQSONMVCUFLCKU-SRVKXCTJSA-N 0 1 393.336 2.583 20 0 GFADMN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000507274883 564224576 /nfs/dbraw/zinc/22/45/76/564224576.db2.gz ADXOLWGQTUFLOP-CHWSQXEVSA-N 0 1 375.332 2.914 20 0 GFADMN CN(C)Cc1ccc(CNc2cc(Br)cnc2C(N)=O)cc1F ZINC000472494766 564224729 /nfs/dbraw/zinc/22/47/29/564224729.db2.gz GGUIBJKRWBYERR-UHFFFAOYSA-N 0 1 381.249 2.756 20 0 GFADMN C[C@@H](O)CN1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1C ZINC000450316312 564226852 /nfs/dbraw/zinc/22/68/52/564226852.db2.gz YVWFCKCVQOSTKY-VHSXEESVSA-N 0 1 382.224 2.754 20 0 GFADMN Brc1ccc2c(c1)ncnc2N1CC[C@H](CN2CCOCC2)C1 ZINC000450353103 564228398 /nfs/dbraw/zinc/22/83/98/564228398.db2.gz DLFPOFGSKVJIRX-CYBMUJFWSA-N 0 1 377.286 2.551 20 0 GFADMN CNS(=O)(=O)[C@@H]1CCCN(CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000539808605 564228938 /nfs/dbraw/zinc/22/89/38/564228938.db2.gz GFMJEJWBEVUIOB-CQSZACIVSA-N 0 1 399.969 2.994 20 0 GFADMN O=S(=O)(N[C@@H](CO)c1ccsc1)c1cc(F)c(Br)cc1F ZINC000472699890 564230540 /nfs/dbraw/zinc/23/05/40/564230540.db2.gz PNRZFAVDRNSHFY-NSHDSACASA-N 0 1 398.250 2.801 20 0 GFADMN O=C(NCCSCC(F)(F)F)NCC1(N2CCOCC2)CCCCC1 ZINC000539890584 564231911 /nfs/dbraw/zinc/23/19/11/564231911.db2.gz AEMCWIPKDPWAON-UHFFFAOYSA-N 0 1 383.480 2.616 20 0 GFADMN CC(=O)c1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1F ZINC000507567263 564232369 /nfs/dbraw/zinc/23/23/69/564232369.db2.gz POSTZWWJJNITDR-UHFFFAOYSA-N 0 1 382.800 2.977 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc3ncsc3c2)cc(S(C)(=O)=O)c1 ZINC000507602163 564234456 /nfs/dbraw/zinc/23/44/56/564234456.db2.gz PMFMADJNPDWWMV-UHFFFAOYSA-N 0 1 398.487 2.509 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CCN1C ZINC000540012248 564236782 /nfs/dbraw/zinc/23/67/82/564236782.db2.gz JIOKUOBWYMLELF-RYUDHWBXSA-N 0 1 378.523 2.550 20 0 GFADMN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cn(-c5ccccc5Br)nn4)[C@H]1[C@H]3C2 ZINC000564532670 564237850 /nfs/dbraw/zinc/23/78/50/564237850.db2.gz HYLJIMQSKMLPQU-VCMWWZGJSA-N 0 1 389.297 2.885 20 0 GFADMN C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)c1ccon1 ZINC000540131675 564239786 /nfs/dbraw/zinc/23/97/86/564239786.db2.gz PSIRAMZCQZNLFC-SSDOTTSWSA-N 0 1 382.161 2.647 20 0 GFADMN NC(=O)[C@H](NCCc1c[nH]c2ncccc12)c1ccc(Br)cc1F ZINC000507854525 564245207 /nfs/dbraw/zinc/24/52/07/564245207.db2.gz YOXORZOZLOHLOT-OAHLLOKOSA-N 0 1 391.244 2.823 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(Cc3nc(-c4cccc(Br)c4)no3)C2)n1 ZINC000564712351 564246475 /nfs/dbraw/zinc/24/64/75/564246475.db2.gz LPVBMQGQHKUOBU-GFCCVEGCSA-N 0 1 389.257 2.915 20 0 GFADMN Cc1nnc([C@@H]2CCN(Cc3nc(-c4cccc(Br)c4)no3)C2)[nH]1 ZINC000564712351 564246477 /nfs/dbraw/zinc/24/64/77/564246477.db2.gz LPVBMQGQHKUOBU-GFCCVEGCSA-N 0 1 389.257 2.915 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)cs1 ZINC000473435317 564247005 /nfs/dbraw/zinc/24/70/05/564247005.db2.gz FJQPCOXVWIMOSU-UHFFFAOYSA-N 0 1 377.447 2.830 20 0 GFADMN CO[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000508056291 564251718 /nfs/dbraw/zinc/25/17/18/564251718.db2.gz WWWHFGUHYLQWGF-STQMWFEESA-N 0 1 399.232 2.855 20 0 GFADMN Cc1ccc(Br)cc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000450960683 564256934 /nfs/dbraw/zinc/25/69/34/564256934.db2.gz PHIHGHQKLSGBOS-SFHVURJKSA-N 0 1 381.314 2.707 20 0 GFADMN CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473941442 564258677 /nfs/dbraw/zinc/25/86/77/564258677.db2.gz QYMADAYJJIKCDO-ZDUSSCGKSA-N 0 1 382.448 2.882 20 0 GFADMN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473947504 564259984 /nfs/dbraw/zinc/25/99/84/564259984.db2.gz WIHSIRQQHLAEPN-LURJTMIESA-N 0 1 398.161 2.905 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1ncc(Br)cc1Br ZINC000473995921 564261553 /nfs/dbraw/zinc/26/15/53/564261553.db2.gz UUVRYIILVLXWIC-MWLCHTKSSA-N 0 1 391.107 2.611 20 0 GFADMN Cc1c2cccc(Br)c2oc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000541152375 564267704 /nfs/dbraw/zinc/26/77/04/564267704.db2.gz VMJUIJKWFICQCE-LBPRGKRZSA-N 0 1 394.313 2.869 20 0 GFADMN CC(C)N1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000508662064 564269531 /nfs/dbraw/zinc/26/95/31/564269531.db2.gz KLYFDMJOGUOMBI-AWEZNQCLSA-N 0 1 386.265 2.757 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000565183240 564269658 /nfs/dbraw/zinc/26/96/58/564269658.db2.gz VWXOJLGDXJTTPX-KGLIPLIRSA-N 0 1 391.313 2.994 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000565332353 564276013 /nfs/dbraw/zinc/27/60/13/564276013.db2.gz GEZQFZSZTMOOAJ-NSHDSACASA-N 0 1 381.311 2.910 20 0 GFADMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000508943727 564276587 /nfs/dbraw/zinc/27/65/87/564276587.db2.gz VQVPODFRLAJSDM-LURJTMIESA-N 0 1 375.738 2.601 20 0 GFADMN CS(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1Br ZINC000565362604 564277817 /nfs/dbraw/zinc/27/78/17/564277817.db2.gz ITSTWEOKPBUQGA-UHFFFAOYSA-N 0 1 386.271 2.631 20 0 GFADMN CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(F)cc(Cl)c3O)ccc21 ZINC000474439066 564278860 /nfs/dbraw/zinc/27/88/60/564278860.db2.gz SMNIWXISRYPPBA-UHFFFAOYSA-N 0 1 384.816 2.759 20 0 GFADMN Cc1cc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc(C)n1 ZINC000541665325 564285926 /nfs/dbraw/zinc/28/59/26/564285926.db2.gz LAGJQAFLZHLQLG-UHFFFAOYSA-N 0 1 387.241 2.571 20 0 GFADMN Cc1cc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc(C)n1 ZINC000541665325 564285928 /nfs/dbraw/zinc/28/59/28/564285928.db2.gz LAGJQAFLZHLQLG-UHFFFAOYSA-N 0 1 387.241 2.571 20 0 GFADMN CN(C)C1CN(C(=O)Nc2ccc(Br)cc2Br)C1 ZINC000541677854 564286004 /nfs/dbraw/zinc/28/60/04/564286004.db2.gz XQMVJFGICAWGAL-UHFFFAOYSA-N 0 1 377.080 2.989 20 0 GFADMN CSC1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCOCC1 ZINC000451244935 564291388 /nfs/dbraw/zinc/29/13/88/564291388.db2.gz GTNRYRSTXVVTEK-UHFFFAOYSA-N 0 1 385.429 2.602 20 0 GFADMN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccsc1 ZINC000509402630 564296264 /nfs/dbraw/zinc/29/62/64/564296264.db2.gz RBWBAEKTDBLUJL-LLVKDONJSA-N 0 1 382.404 2.886 20 0 GFADMN COc1ccccc1[C@@H](CO)NC[C@@H](O)COc1ccc(Br)cc1 ZINC000541985493 564297302 /nfs/dbraw/zinc/29/73/02/564297302.db2.gz YZSBVENUTNZZEQ-RHSMWYFYSA-N 0 1 396.281 2.521 20 0 GFADMN CC(C)c1nnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)s1 ZINC000451299111 564297772 /nfs/dbraw/zinc/29/77/72/564297772.db2.gz REULRYVYONHKSK-UHFFFAOYSA-N 0 1 381.401 2.864 20 0 GFADMN Cn1c2cc(Br)ccc2nc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451308426 564298686 /nfs/dbraw/zinc/29/86/86/564298686.db2.gz VOGWEGWGDZIERD-XPKDYRNWSA-N 0 1 394.313 2.698 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc(C)c1Br ZINC000565978614 564304435 /nfs/dbraw/zinc/30/44/35/564304435.db2.gz GHKPNPFFNGVWNI-CYBMUJFWSA-N 0 1 375.332 2.862 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c(Cl)c1 ZINC000509622768 564306286 /nfs/dbraw/zinc/30/62/86/564306286.db2.gz TXADRXOKOUBFDR-UHFFFAOYSA-N 0 1 382.825 2.886 20 0 GFADMN CCN1CCC[C@@H](CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000509839627 564314526 /nfs/dbraw/zinc/31/45/26/564314526.db2.gz NMCJGOPDMAKPTL-HNNXBMFYSA-N 0 1 386.945 2.742 20 0 GFADMN O=C(COc1ccccc1)N1CC[C@H](NCc2ccc(Br)o2)C1 ZINC000509992169 564320878 /nfs/dbraw/zinc/32/08/78/564320878.db2.gz YLVYHKCXWYNKSM-ZDUSSCGKSA-N 0 1 379.254 2.812 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c(Br)c1 ZINC000475819075 564322127 /nfs/dbraw/zinc/32/21/27/564322127.db2.gz LXDAGUYZHFXKLH-UHFFFAOYSA-N 0 1 397.250 2.502 20 0 GFADMN COC(=O)C[C@H]1CSCCN1CCOc1ccc(OC(F)(F)F)cc1 ZINC000475894328 564323638 /nfs/dbraw/zinc/32/36/38/564323638.db2.gz FCKPKUAPIAMWLX-LBPRGKRZSA-N 0 1 379.400 2.945 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000566341062 564323624 /nfs/dbraw/zinc/32/36/24/564323624.db2.gz BVPCDXVUYAYQCX-GOSISDBHSA-N 0 1 379.551 2.578 20 0 GFADMN C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)C[C@@H](C)O1 ZINC000451561983 564325923 /nfs/dbraw/zinc/32/59/23/564325923.db2.gz CDXAZPBHIBQVEM-IIHSZXCVSA-N 0 1 397.357 2.709 20 0 GFADMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cs1)c1ccco1 ZINC000510361505 564330825 /nfs/dbraw/zinc/33/08/25/564330825.db2.gz CNCWGDQAEHVLDG-YPMHNXCESA-N 0 1 386.495 2.535 20 0 GFADMN NC(=O)[C@H](N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc(Br)cc1F ZINC000451606495 564331150 /nfs/dbraw/zinc/33/11/50/564331150.db2.gz LOYWKFKXRAESCM-NUEKZKHPSA-N 0 1 385.277 2.501 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)cc1Cl ZINC000476279223 564333559 /nfs/dbraw/zinc/33/35/59/564333559.db2.gz BOOATAMIXZYOFQ-UHFFFAOYSA-N 0 1 380.813 2.507 20 0 GFADMN CSCCCNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000566609061 564334215 /nfs/dbraw/zinc/33/42/15/564334215.db2.gz MCMBJGDKXWXAQQ-CQSZACIVSA-N 0 1 380.901 2.749 20 0 GFADMN O=C(CSCc1ccc(Br)cc1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566733866 564340292 /nfs/dbraw/zinc/34/02/92/564340292.db2.gz KUSCHHWLDKHXSW-GFCCVEGCSA-N 0 1 381.299 2.817 20 0 GFADMN COc1ncc([C@H](C)NCCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000566730309 564340364 /nfs/dbraw/zinc/34/03/64/564340364.db2.gz ZEUWENYPWLWJIU-ZDUSSCGKSA-N 0 1 383.901 2.681 20 0 GFADMN Cc1n[nH]c([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Br)cc3)C2)n1 ZINC000566901201 564348780 /nfs/dbraw/zinc/34/87/80/564348780.db2.gz DTFJLPJVFZDXEM-RISCZKNCSA-N 0 1 392.301 2.542 20 0 GFADMN Cc1nnc([C@H]2CCN(CC(=O)N[C@H](C)c3ccc(Br)cc3)C2)[nH]1 ZINC000566901201 564348784 /nfs/dbraw/zinc/34/87/84/564348784.db2.gz DTFJLPJVFZDXEM-RISCZKNCSA-N 0 1 392.301 2.542 20 0 GFADMN C[C@@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000511031677 564353899 /nfs/dbraw/zinc/35/38/99/564353899.db2.gz OGIPKPHOBIWBRK-VXGBXAGGSA-N 0 1 381.885 2.665 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)CCCc2ccccc2Br)[C@H](C)C1 ZINC000476869946 564356493 /nfs/dbraw/zinc/35/64/93/564356493.db2.gz MXAXGCOZZRKNMQ-CABCVRRESA-N 0 1 383.330 2.685 20 0 GFADMN CN(C[C@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)C1)S(C)(=O)=O ZINC000511093437 564356651 /nfs/dbraw/zinc/35/66/51/564356651.db2.gz VTOHYWCUGNKKBC-CYBMUJFWSA-N 0 1 395.352 2.976 20 0 GFADMN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000476882023 564357626 /nfs/dbraw/zinc/35/76/26/564357626.db2.gz OREKSOYVKCHIFW-MJBXVCDLSA-N 0 1 386.945 2.840 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)C[C@@H]21 ZINC000451879220 564361380 /nfs/dbraw/zinc/36/13/80/564361380.db2.gz PYTVHPDAFOFIFK-ZBFHGGJFSA-N 0 1 384.929 2.844 20 0 GFADMN CSC[C@H](NC[C@@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773831 564362504 /nfs/dbraw/zinc/36/25/04/564362504.db2.gz DALLGBAVQRLSKK-KGLIPLIRSA-N 0 1 383.457 2.513 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000543801386 564363894 /nfs/dbraw/zinc/36/38/94/564363894.db2.gz OGIHSRJMTDMTPH-INIZCTEOSA-N 0 1 395.301 2.836 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c1 ZINC000477136648 564366131 /nfs/dbraw/zinc/36/61/31/564366131.db2.gz LXRCHNPKDNSLOM-LSDHHAIUSA-N 0 1 390.958 2.549 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1N1CCCC1 ZINC000477129168 564366412 /nfs/dbraw/zinc/36/64/12/564366412.db2.gz URMIVCRRLIBPBO-KGLIPLIRSA-N 0 1 378.922 2.679 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451914987 564366433 /nfs/dbraw/zinc/36/64/33/564366433.db2.gz AHYAJXHBCJKRMX-MDZLAQPJSA-N 0 1 379.400 2.583 20 0 GFADMN COC[C@]1(CO)CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451933160 564369307 /nfs/dbraw/zinc/36/93/07/564369307.db2.gz UILNDGPRMJEUAY-SJKOYZFVSA-N 0 1 375.296 2.501 20 0 GFADMN CN(C(=O)CN[C@@](C)(CO)c1ccc(Br)cc1)c1ccccc1 ZINC000511606430 564377337 /nfs/dbraw/zinc/37/73/37/564377337.db2.gz NBYNQINHKYKQBK-SFHVURJKSA-N 0 1 377.282 2.909 20 0 GFADMN COc1ccccc1NC(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000511622454 564377368 /nfs/dbraw/zinc/37/73/68/564377368.db2.gz KWJVZKTZKALJCX-GOSISDBHSA-N 0 1 393.281 2.894 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1c(Cl)cccc1Cl ZINC000477666529 564383046 /nfs/dbraw/zinc/38/30/46/564383046.db2.gz VIUYUDUEWOKLGL-UHFFFAOYSA-N 0 1 383.279 2.894 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567730973 564386226 /nfs/dbraw/zinc/38/62/26/564386226.db2.gz NEZAGESXFPCZGU-YPMHNXCESA-N 0 1 378.274 2.697 20 0 GFADMN 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384.261 2.782 20 0 GFADMN Cc1nc([C@H](C)NC(=O)Nc2ccc3nccnc3c2Br)n[nH]1 ZINC000490753303 564781103 /nfs/dbraw/zinc/78/11/03/564781103.db2.gz BXMFAWNEPNYSOR-ZETCQYMHSA-N 0 1 376.218 2.702 20 0 GFADMN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528390569 564781782 /nfs/dbraw/zinc/78/17/82/564781782.db2.gz NKSAPJPFKJPFFP-CRAIPNDOSA-N 0 1 397.357 2.794 20 0 GFADMN CN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)[C@H]1CCSC1 ZINC000491002644 564783893 /nfs/dbraw/zinc/78/38/93/564783893.db2.gz UHINKYLWVOFSMS-ZDUSSCGKSA-N 0 1 376.448 2.503 20 0 GFADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCOc1cccc(I)c1 ZINC000581196735 564792068 /nfs/dbraw/zinc/79/20/68/564792068.db2.gz PPWQBAXWZCNPHF-RISCZKNCSA-N 0 1 389.233 2.855 20 0 GFADMN O=S(=O)(NCCOCC1CCC1)c1cc(F)c(Br)cc1F ZINC000581224783 564792997 /nfs/dbraw/zinc/79/29/97/564792997.db2.gz QLAAGVKJTMMSRO-UHFFFAOYSA-N 0 1 384.242 2.822 20 0 GFADMN CN(C)S(=O)(=O)CCCN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000492195231 564799872 /nfs/dbraw/zinc/79/98/72/564799872.db2.gz NPCSSTJHJNWOIL-OAHLLOKOSA-N 0 1 375.332 2.868 20 0 GFADMN O=C(CCc1cncs1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000555739461 564803348 /nfs/dbraw/zinc/80/33/48/564803348.db2.gz XZYGPVRVAKXGKU-UHFFFAOYSA-N 0 1 392.282 2.940 20 0 GFADMN O=C(CCc1cncs1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000555739461 564803354 /nfs/dbraw/zinc/80/33/54/564803354.db2.gz XZYGPVRVAKXGKU-UHFFFAOYSA-N 0 1 392.282 2.940 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@H](CO)CC2CCCC2)sc1Br ZINC000461790395 564804886 /nfs/dbraw/zinc/80/48/86/564804886.db2.gz IEHBYOXSMARSKD-NSHDSACASA-N 0 1 397.360 2.681 20 0 GFADMN Cc1[nH]ncc1CNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000461920677 564808528 /nfs/dbraw/zinc/80/85/28/564808528.db2.gz SXJAOPHSQCYVMK-UHFFFAOYSA-N 0 1 375.230 2.988 20 0 GFADMN CCC[C@@H]1CN(C(=O)c2cc(O)cc(Br)c2)CCN1CCOC ZINC000528938761 564810973 /nfs/dbraw/zinc/81/09/73/564810973.db2.gz KPXLNAVQUMKBSJ-OAHLLOKOSA-N 0 1 385.302 2.728 20 0 GFADMN COC(=O)[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(Br)cc1 ZINC000581614242 564811186 /nfs/dbraw/zinc/81/11/86/564811186.db2.gz XGNOIMCDJYSVHN-OAHLLOKOSA-N 0 1 388.221 2.741 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)S[C@@H](C)C1)c1ccsc1 ZINC000556058354 564811473 /nfs/dbraw/zinc/81/14/73/564811473.db2.gz GBQZDSDFCDGDQS-OFQRWUPVSA-N 0 1 383.583 2.600 20 0 GFADMN CSC[C@@H](O)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000493905566 564812568 /nfs/dbraw/zinc/81/25/68/564812568.db2.gz IJSXCLYEYGFFOD-KRWDZBQOSA-N 0 1 380.535 2.643 20 0 GFADMN CSC[C@@H](O)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000493905566 564812571 /nfs/dbraw/zinc/81/25/71/564812571.db2.gz IJSXCLYEYGFFOD-KRWDZBQOSA-N 0 1 380.535 2.643 20 0 GFADMN COc1cc2nccc(N[C@H]3CCC(=O)N[C@H]3C3CC3)c2cc1Br ZINC000581663366 564812617 /nfs/dbraw/zinc/81/26/17/564812617.db2.gz TXWDWOPIEZCBFJ-KSSFIOAISA-N 0 1 390.281 2.897 20 0 GFADMN Cc1c(Br)cc(CNCC(=O)NC2CC2)cc1Br ZINC000556387997 564822401 /nfs/dbraw/zinc/82/24/01/564822401.db2.gz XCGAZWGUFGGTIV-UHFFFAOYSA-N 0 1 376.092 2.888 20 0 GFADMN CCCC[N@@H+](C)CC[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000462145006 564823969 /nfs/dbraw/zinc/82/39/69/564823969.db2.gz ZCKQFEOZPAMYOW-UHFFFAOYSA-N 0 1 397.875 2.587 20 0 GFADMN O=C([O-])C[N@@H+](CCCOc1cccc(I)c1)C1CCC1 ZINC000582013576 564826574 /nfs/dbraw/zinc/82/65/74/564826574.db2.gz PYZZDWKCLFYKKZ-UHFFFAOYSA-N 0 1 389.233 2.999 20 0 GFADMN Cc1sc(CNC(=O)NC[C@@H]2COCCN2)nc1-c1ccc(Cl)cc1 ZINC000529300702 564828187 /nfs/dbraw/zinc/82/81/87/564828187.db2.gz WTBGAPRNHQGPHN-CQSZACIVSA-N 0 1 380.901 2.560 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000462264687 564829923 /nfs/dbraw/zinc/82/99/23/564829923.db2.gz BFPKMNRDZGEBBG-RYUDHWBXSA-N 0 1 383.286 2.790 20 0 GFADMN COC(=O)c1cc(NC(=O)NCCN2CC=CCC2)c(C)cc1Br ZINC000494472507 564831630 /nfs/dbraw/zinc/83/16/30/564831630.db2.gz LVXCRCJCMXJSKT-UHFFFAOYSA-N 0 1 396.285 2.928 20 0 GFADMN O=C(NC[C@H]1COCCN1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000529375076 564831970 /nfs/dbraw/zinc/83/19/70/564831970.db2.gz BRMYHYSXSRJLJJ-HOTGVXAUSA-N 0 1 396.329 2.544 20 0 GFADMN CC1(c2cccc(Br)c2)CCN(C(=O)NC[C@H]2COCCN2)CC1 ZINC000529379467 564832766 /nfs/dbraw/zinc/83/27/66/564832766.db2.gz WWEKLNMDZWRSGH-INIZCTEOSA-N 0 1 396.329 2.501 20 0 GFADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3O)cc3c2N1CCC3 ZINC000462354961 564835518 /nfs/dbraw/zinc/83/55/18/564835518.db2.gz GXLYWRNCMXNFAC-UHFFFAOYSA-N 0 1 378.837 2.682 20 0 GFADMN Brc1c[nH]c(-c2nnc(N3CCN(C4CC4)CC3)n2C2CC2)c1 ZINC000582366353 564843553 /nfs/dbraw/zinc/84/35/53/564843553.db2.gz NCAXYIHDBILQLB-UHFFFAOYSA-N 0 1 377.290 2.655 20 0 GFADMN O=C(NC1CCN(C(=O)C2CC2)CC1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000494894057 564843780 /nfs/dbraw/zinc/84/37/80/564843780.db2.gz QXVZWPHTSIZKMZ-UHFFFAOYSA-N 0 1 378.885 2.922 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(Br)c(F)c1)N1CCC(C)CC1 ZINC000462510426 564844672 /nfs/dbraw/zinc/84/46/72/564844672.db2.gz LNCTXSSQAHEKJX-GFCCVEGCSA-N 0 1 393.322 2.987 20 0 GFADMN C[C@@H](C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccc(Br)c1 ZINC000462543785 564846554 /nfs/dbraw/zinc/84/65/54/564846554.db2.gz LPASSAFCJPFYSP-UONOGXRCSA-N 0 1 383.330 2.856 20 0 GFADMN Cc1cccc2c(=O)c(C(=O)N(C)CCn3cc(Br)cn3)c[nH]c12 ZINC000582458640 564847316 /nfs/dbraw/zinc/84/73/16/564847316.db2.gz WSSQHQXICQPNNU-UHFFFAOYSA-N 0 1 389.253 2.568 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000529914433 564857217 /nfs/dbraw/zinc/85/72/17/564857217.db2.gz RKTTWPSEFZYRQN-UHFFFAOYSA-N 0 1 399.304 2.844 20 0 GFADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000557230628 564858275 /nfs/dbraw/zinc/85/82/75/564858275.db2.gz HBFWYVDPNNLJHM-UHFFFAOYSA-N 0 1 381.841 2.507 20 0 GFADMN CC(C)C[C@@H](N)c1noc(CCNC(=O)c2ccc(Br)cc2)n1 ZINC000582784562 564861660 /nfs/dbraw/zinc/86/16/60/564861660.db2.gz BWKKEXWFHLVAER-CYBMUJFWSA-N 0 1 381.274 2.851 20 0 GFADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000557432251 564863369 /nfs/dbraw/zinc/86/33/69/564863369.db2.gz KCQQKNSVYDYDPR-UHFFFAOYSA-N 0 1 395.836 2.964 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1n[nH]c(C)c1Br)c1ccc(F)cc1 ZINC000530156731 564868695 /nfs/dbraw/zinc/86/86/95/564868695.db2.gz LFDQYFUCMLUWHX-NSHDSACASA-N 0 1 392.250 2.749 20 0 GFADMN CS(=O)(=O)c1ccnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000582969993 564869657 /nfs/dbraw/zinc/86/96/57/564869657.db2.gz KJKVAYUXBNPXMV-UHFFFAOYSA-N 0 1 395.289 2.734 20 0 GFADMN O=C(CNc1nc2ccccc2[nH]1)Nc1ccc(I)cc1 ZINC000557672195 564871242 /nfs/dbraw/zinc/87/12/42/564871242.db2.gz GXGDWVLQLJYNOJ-UHFFFAOYSA-N 0 1 392.200 2.640 20 0 GFADMN C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CCc1cccc(Br)c1 ZINC000463426929 564880495 /nfs/dbraw/zinc/88/04/95/564880495.db2.gz DDVUGXHQFZMDHT-GFCCVEGCSA-N 0 1 384.318 2.936 20 0 GFADMN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000497983379 564883393 /nfs/dbraw/zinc/88/33/93/564883393.db2.gz CBAWIVWMYZLBCN-WBMJQRKESA-N 0 1 379.913 2.939 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 ZINC000530538246 564886580 /nfs/dbraw/zinc/88/65/80/564886580.db2.gz SNXQSFODZDHDGD-MRVPVSSYSA-N 0 1 380.239 2.746 20 0 GFADMN CCS(=O)(=O)C1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000583424939 564891373 /nfs/dbraw/zinc/89/13/73/564891373.db2.gz ZPBPUADCEPJZKE-UHFFFAOYSA-N 0 1 375.475 2.551 20 0 GFADMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000583493014 564894218 /nfs/dbraw/zinc/89/42/18/564894218.db2.gz NCSPRDHHWGNBHJ-CQSZACIVSA-N 0 1 398.326 2.712 20 0 GFADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000498293184 564894488 /nfs/dbraw/zinc/89/44/88/564894488.db2.gz SDJJCOKYTYWDSE-BREBYQMCSA-N 0 1 382.262 2.704 20 0 GFADMN COCCC1(C)CN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000558273594 564897412 /nfs/dbraw/zinc/89/74/12/564897412.db2.gz RAUXJHIXEIPPGP-AWEZNQCLSA-N 0 1 376.266 2.686 20 0 GFADMN O=C(CNCC(F)(F)F)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000498475393 564899436 /nfs/dbraw/zinc/89/94/36/564899436.db2.gz RVHZVWQJXLFYHH-OAHLLOKOSA-N 0 1 377.838 2.963 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1S(C)(=O)=O ZINC000498482681 564899580 /nfs/dbraw/zinc/89/95/80/564899580.db2.gz VOKGGHHLKRWEEA-UHFFFAOYSA-N 0 1 382.488 2.809 20 0 GFADMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)NC[C@]1(O)CCSC1 ZINC000531107064 564901542 /nfs/dbraw/zinc/90/15/42/564901542.db2.gz XGHLLNYYFNJVNN-FUHWJXTLSA-N 0 1 383.945 2.644 20 0 GFADMN CC[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)[C@H](O)C(F)(F)F ZINC000498568714 564902737 /nfs/dbraw/zinc/90/27/37/564902737.db2.gz CQPBCCGLNCPWKE-KWQFWETISA-N 0 1 380.164 2.757 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000498572361 564902856 /nfs/dbraw/zinc/90/28/56/564902856.db2.gz OWNQLLNDQFGEDR-VXGBXAGGSA-N 0 1 383.286 2.775 20 0 GFADMN O=C(NCC1(CO)CC2(CCC2)C1)c1n[nH]c2ccc(Br)cc21 ZINC000583732848 564905091 /nfs/dbraw/zinc/90/50/91/564905091.db2.gz JSWHUTTZUIDQFD-UHFFFAOYSA-N 0 1 378.270 2.998 20 0 GFADMN CC[C@H]1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000531264893 564905306 /nfs/dbraw/zinc/90/53/06/564905306.db2.gz VGCKWSPXLFIYKC-FZMZJTMJSA-N 0 1 398.244 2.655 20 0 GFADMN NC(=O)NCCCCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000531372553 564908399 /nfs/dbraw/zinc/90/83/99/564908399.db2.gz ZJSSLJXUVSQMRW-UHFFFAOYSA-N 0 1 378.654 2.975 20 0 GFADMN CN1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000498877298 564911377 /nfs/dbraw/zinc/91/13/77/564911377.db2.gz SCCWCAHDFPXJEJ-DLBZAZTESA-N 0 1 395.322 2.825 20 0 GFADMN COC(=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)nc1 ZINC000464574854 564911824 /nfs/dbraw/zinc/91/18/24/564911824.db2.gz AFOFGDLKEXLLDQ-UHFFFAOYSA-N 0 1 375.182 2.759 20 0 GFADMN CC[C@@H](CO)N1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000464766781 564917792 /nfs/dbraw/zinc/91/77/92/564917792.db2.gz DWQADHOTPSIFSZ-ZDUSSCGKSA-N 0 1 385.295 2.932 20 0 GFADMN CSc1n[nH]c(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)n1 ZINC000499105999 564918354 /nfs/dbraw/zinc/91/83/54/564918354.db2.gz MNXOZGNIZGGANO-UHFFFAOYSA-N 0 1 395.901 2.800 20 0 GFADMN CCOCCCNC(=O)[C@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000584306649 564929595 /nfs/dbraw/zinc/92/95/95/564929595.db2.gz RIKKHNMVTZZFOG-BLLLJJGKSA-N 0 1 384.318 2.816 20 0 GFADMN COCC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCC1 ZINC000499730760 564934843 /nfs/dbraw/zinc/93/48/43/564934843.db2.gz GQJRZEMUXURJHC-UHFFFAOYSA-N 0 1 384.242 2.822 20 0 GFADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccncc1Br ZINC000532421636 564937774 /nfs/dbraw/zinc/93/77/74/564937774.db2.gz SYIWUFSYWILMLG-UHFFFAOYSA-N 0 1 376.189 2.698 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccncc1Br ZINC000532421636 564937776 /nfs/dbraw/zinc/93/77/76/564937776.db2.gz SYIWUFSYWILMLG-UHFFFAOYSA-N 0 1 376.189 2.698 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2c(F)cccc2I)C[C@@H]1C ZINC000500116912 564946404 /nfs/dbraw/zinc/94/64/04/564946404.db2.gz ZPIJRCSYJKPXPO-WDEREUQCSA-N 0 1 390.240 2.985 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000500156541 564946788 /nfs/dbraw/zinc/94/67/88/564946788.db2.gz LYCMFIGSSXLYSQ-AWEZNQCLSA-N 0 1 375.332 2.992 20 0 GFADMN CN(CC[C@@H]1CCCO1)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000467081404 564955473 /nfs/dbraw/zinc/95/54/73/564955473.db2.gz MSODYEPJWJNZDV-NSHDSACASA-N 0 1 399.232 2.809 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@H]1N1CCCC1 ZINC000560292927 564956017 /nfs/dbraw/zinc/95/60/17/564956017.db2.gz HHPKWOJRYSYLQT-GOEBONIOSA-N 0 1 384.498 2.772 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C2CCC1CC2 ZINC000533237229 564958927 /nfs/dbraw/zinc/95/89/27/564958927.db2.gz GSWQJHMYGQPLMP-UHFFFAOYSA-N 0 1 394.313 2.781 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000467509503 564965592 /nfs/dbraw/zinc/96/55/92/564965592.db2.gz GAVZZLAZVFKMNF-TVQRCGJNSA-N 0 1 393.734 2.864 20 0 GFADMN C[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)[C@@H](C)N1CCOCC1 ZINC000533753012 564971745 /nfs/dbraw/zinc/97/17/45/564971745.db2.gz RICKOBKCNUSICE-CHWSQXEVSA-N 0 1 384.311 2.773 20 0 GFADMN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533798943 564973204 /nfs/dbraw/zinc/97/32/04/564973204.db2.gz VFCUQXOKMHYKQX-UHFFFAOYSA-N 0 1 385.274 2.738 20 0 GFADMN O=C(NCCCCN1CCOCC1)c1cc(Br)cc2cccnc21 ZINC000533918295 564975792 /nfs/dbraw/zinc/97/57/92/564975792.db2.gz UJVUAIUIKAFXBS-UHFFFAOYSA-N 0 1 392.297 2.840 20 0 GFADMN Cn1cnc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)c1 ZINC000533901720 564975848 /nfs/dbraw/zinc/97/58/48/564975848.db2.gz QHCXMFHQXUGOPU-UHFFFAOYSA-N 0 1 380.426 2.674 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1N(C)C ZINC000534172438 564981553 /nfs/dbraw/zinc/98/15/53/564981553.db2.gz ZIXMBCCYUFSLRA-ZIAGYGMSSA-N 0 1 383.366 2.801 20 0 GFADMN C[N@H+](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000534512674 564991087 /nfs/dbraw/zinc/99/10/87/564991087.db2.gz BXLGEAKZFKCOHX-UHFFFAOYSA-N 0 1 397.285 2.880 20 0 GFADMN C[N@@H+](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000534512674 564991088 /nfs/dbraw/zinc/99/10/88/564991088.db2.gz BXLGEAKZFKCOHX-UHFFFAOYSA-N 0 1 397.285 2.880 20 0 GFADMN O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CCN2CCCC[C@H]2C1 ZINC000468751134 564992199 /nfs/dbraw/zinc/99/21/99/564992199.db2.gz AAJBNUTXFSXOPE-DZGCQCFKSA-N 0 1 392.297 2.572 20 0 GFADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000468790606 564993716 /nfs/dbraw/zinc/99/37/16/564993716.db2.gz CFXROYBSCNVJNU-UHFFFAOYSA-N 0 1 389.882 2.943 20 0 GFADMN CCOc1ccc(F)c(NC(=O)c2nc3ncc(Br)cn3n2)c1F ZINC000534773250 564996627 /nfs/dbraw/zinc/99/66/27/564996627.db2.gz ZSSNPBQHRPCGDQ-UHFFFAOYSA-N 0 1 398.167 2.816 20 0 GFADMN Cc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000561520387 564998643 /nfs/dbraw/zinc/99/86/43/564998643.db2.gz YIYKSRDHGDUCGR-LCWDIZFYSA-N 0 1 382.237 2.931 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000561525360 564998843 /nfs/dbraw/zinc/99/88/43/564998843.db2.gz BPIMBKFSCUGVIC-NSHDSACASA-N 0 1 384.395 2.875 20 0 GFADMN Cc1nnc(NC(=O)c2cccn2-c2cccc(I)c2)[nH]1 ZINC000502679790 565003465 /nfs/dbraw/zinc/00/34/65/565003465.db2.gz AMQWOQZTJJRETR-UHFFFAOYSA-N 0 1 393.188 2.761 20 0 GFADMN Cc1n[nH]c(NC(=O)c2cccn2-c2cccc(I)c2)n1 ZINC000502679790 565003469 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C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618361258 565293167 /nfs/dbraw/zinc/29/31/67/565293167.db2.gz IQYGSJJVOBUWEK-LRDDRELGSA-N 0 1 399.354 2.822 20 0 GFADMN O=C(CCCCc1cn[nH]n1)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000618364561 565294605 /nfs/dbraw/zinc/29/46/05/565294605.db2.gz KIPPUPQONKQPHC-MRXNPFEDSA-N 0 1 393.285 2.880 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cc(Br)ccc1F ZINC000618488373 565303125 /nfs/dbraw/zinc/30/31/25/565303125.db2.gz SUSQIPZUHAUIIG-ZDUSSCGKSA-N 0 1 376.189 2.621 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc(Br)cc1F ZINC000618486854 565303300 /nfs/dbraw/zinc/30/33/00/565303300.db2.gz FRMQRMNCPAMQFA-CYBMUJFWSA-N 0 1 376.189 2.621 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000640386711 565306415 /nfs/dbraw/zinc/30/64/15/565306415.db2.gz KAMNKIAYANOFJB-MRVPVSSYSA-N 0 1 387.378 3.140 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661600071 565330510 /nfs/dbraw/zinc/33/05/10/565330510.db2.gz 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ZINC000641135650 565349457 /nfs/dbraw/zinc/34/94/57/565349457.db2.gz XJQVEYZCZDXAQE-GFCCVEGCSA-N 0 1 393.285 2.947 20 0 GFADMN O[C@H]1CCCC[C@@H]1c1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000641162438 565351256 /nfs/dbraw/zinc/35/12/56/565351256.db2.gz MXNQUJDFNCXOGT-ABAIWWIYSA-N 0 1 376.258 2.984 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)CSCC(=O)c2ccc(Cl)cc2)n1 ZINC000619865016 565361105 /nfs/dbraw/zinc/36/11/05/565361105.db2.gz GICLFLCYGUBPAW-UHFFFAOYSA-N 0 1 381.841 2.794 20 0 GFADMN [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341499 565361635 /nfs/dbraw/zinc/36/16/35/565361635.db2.gz QMHLJBYGWKXWFA-YJBOKZPZSA-N 0 1 388.309 2.840 20 0 GFADMN COc1ccc(Br)cc1CN(C)C(=O)c1cc(C(C)(C)N)no1 ZINC000662443182 565368697 /nfs/dbraw/zinc/36/86/97/565368697.db2.gz DUNGLDZJDYYAGV-UHFFFAOYSA-N 0 1 382.258 2.912 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)[C@@H](OC)c2ccccc2Br)n1 ZINC000594020028 565371560 /nfs/dbraw/zinc/37/15/60/565371560.db2.gz XMPJKZPHKLEAKT-LBPRGKRZSA-N 0 1 382.214 2.675 20 0 GFADMN C[C@@](N)(C(=O)N[C@H]1COc2cc(F)ccc2C1)c1ccc(Br)cc1 ZINC000662874209 565388719 /nfs/dbraw/zinc/38/87/19/565388719.db2.gz GOCBFZYSYZNXGI-QAPCUYQASA-N 0 1 393.256 2.882 20 0 GFADMN NC(=O)CC1(CNC(=O)c2cc(Br)cc3nc[nH]c32)CCCCC1 ZINC000620706391 565392884 /nfs/dbraw/zinc/39/28/84/565392884.db2.gz OIAIIDRLGLBCEK-UHFFFAOYSA-N 0 1 393.285 2.881 20 0 GFADMN CO[C@@](C)(C(=O)[O-])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000663046097 565393473 /nfs/dbraw/zinc/39/34/73/565393473.db2.gz PRDYCAYOCDDZPT-QGZVFWFLSA-N 0 1 389.279 2.564 20 0 GFADMN CC(C)(CNCc1ccncc1N)S(=O)(=O)c1ccc(Br)cc1 ZINC000641728577 565397505 /nfs/dbraw/zinc/39/75/05/565397505.db2.gz VEZRWMSSXOBISF-UHFFFAOYSA-N 0 1 398.326 2.768 20 0 GFADMN CCc1[nH]nc(C(=O)N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1Br ZINC000620803646 565398003 /nfs/dbraw/zinc/39/80/03/565398003.db2.gz ADJDXVCONCXZKU-JGVFFNPUSA-N 0 1 384.196 2.917 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)COc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000641880105 565400600 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1 387.484 2.689 20 0 GFADMN CCOCCC[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736614854 599063021 /nfs/dbraw/zinc/06/30/21/599063021.db2.gz IOEAJTHNMZYYLI-WDEREUQCSA-N 0 1 385.925 2.526 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736614854 599063024 /nfs/dbraw/zinc/06/30/24/599063024.db2.gz IOEAJTHNMZYYLI-WDEREUQCSA-N 0 1 385.925 2.526 20 0 GFADMN CCOCCC[N@@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736614854 599063027 /nfs/dbraw/zinc/06/30/27/599063027.db2.gz IOEAJTHNMZYYLI-WDEREUQCSA-N 0 1 385.925 2.526 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736614854 599063029 /nfs/dbraw/zinc/06/30/29/599063029.db2.gz IOEAJTHNMZYYLI-WDEREUQCSA-N 0 1 385.925 2.526 20 0 GFADMN C[C@@H](c1nn(CN(C)CC(=O)[O-])c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000739064698 597054341 /nfs/dbraw/zinc/05/43/41/597054341.db2.gz RIFYMAUBXWROSR-HNNXBMFYSA-N 0 1 389.525 2.924 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000737187797 599239868 /nfs/dbraw/zinc/23/98/68/599239868.db2.gz VMGKOXQLGCYTSA-UHFFFAOYSA-N 0 1 398.492 2.688 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000818071780 597120508 /nfs/dbraw/zinc/12/05/08/597120508.db2.gz ZMXXFIVCMIUIJZ-HZPDHXFCSA-N 0 1 375.469 2.798 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000818478590 597226680 /nfs/dbraw/zinc/22/66/80/597226680.db2.gz RSBIHNVCTXIEPA-XJKSGUPXSA-N 0 1 387.402 2.862 20 0 GFADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NC[C@@H](c1ccco1)N(C)C ZINC000737265154 599256259 /nfs/dbraw/zinc/25/62/59/599256259.db2.gz XZTYDOFAJSJTEK-HNNXBMFYSA-N 0 1 381.415 2.592 20 0 GFADMN C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000820620864 597512645 /nfs/dbraw/zinc/51/26/45/597512645.db2.gz VTDHOMLYGHJUMW-DVOMOZLQSA-N 0 1 383.851 2.588 20 0 GFADMN Cc1ccc([C@H](CNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737322648 598234016 /nfs/dbraw/zinc/23/40/16/598234016.db2.gz ZXYRDJGFCIXGLA-SFHVURJKSA-N 0 1 394.479 2.654 20 0 GFADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737891964 598248305 /nfs/dbraw/zinc/24/83/05/598248305.db2.gz PAUTUDBIJODRPI-UHFFFAOYSA-N 0 1 396.882 2.805 20 0 GFADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000736135274 598274847 /nfs/dbraw/zinc/27/48/47/598274847.db2.gz OOMJUBFWLQITPS-HNNXBMFYSA-N 0 1 391.479 2.584 20 0 GFADMN Cn1c(Sc2nccnc2-c2nn[nH]n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000737590740 598339412 /nfs/dbraw/zinc/33/94/12/598339412.db2.gz CYUFYWPKHKKGNQ-UHFFFAOYSA-N 0 1 393.480 2.901 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)OCc1ccccc1 ZINC000737980996 598493776 /nfs/dbraw/zinc/49/37/76/598493776.db2.gz HJBVDIOQLSFFBT-UHFFFAOYSA-N 0 1 395.806 2.578 20 0 GFADMN C[C@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000737196680 598516243 /nfs/dbraw/zinc/51/62/43/598516243.db2.gz XSMMGCKILAHSDC-RUCARUNLSA-N 0 1 397.527 2.663 20 0 GFADMN Cc1cc2cccnc2c(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737282944 598594020 /nfs/dbraw/zinc/59/40/20/598594020.db2.gz LOLZGKBVFRIFHG-UHFFFAOYSA-N 0 1 384.396 2.663 20 0 GFADMN CCCc1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000736499866 598609790 /nfs/dbraw/zinc/60/97/90/598609790.db2.gz KATNCXIPIVTTMP-UHFFFAOYSA-N 0 1 396.411 2.834 20 0 GFADMN CN(C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000736759699 598624333 /nfs/dbraw/zinc/62/43/33/598624333.db2.gz OFZICJSRJWOPFR-MRXNPFEDSA-N 0 1 387.394 2.569 20 0 GFADMN O=C(Nc1ccccc1)NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000738192628 598683159 /nfs/dbraw/zinc/68/31/59/598683159.db2.gz TWHQRDMPYIYOBY-UHFFFAOYSA-N 0 1 395.442 2.792 20 0 GFADMN CCc1cc(CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000736677314 598769027 /nfs/dbraw/zinc/76/90/27/598769027.db2.gz WQIRVRJKGQAJJO-UHFFFAOYSA-N 0 1 389.419 2.875 20 0 GFADMN CCN(CC)[C@H](C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736533427 598808306 /nfs/dbraw/zinc/80/83/06/598808306.db2.gz GQFZUVBZJYJGLR-IBGZPJMESA-N 0 1 378.480 2.908 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000736487062 599313795 /nfs/dbraw/zinc/31/37/95/599313795.db2.gz BNPPGRFMTLFNES-UHFFFAOYSA-N 0 1 376.417 2.629 20 0 GFADMN CC[C@H](C)NC(=O)c1cccc(CNCc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000820876984 599405383 /nfs/dbraw/zinc/40/53/83/599405383.db2.gz XRHGOBLYBFTEPW-AWEZNQCLSA-N 0 1 394.479 2.693 20 0 GFADMN C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357287 599406231 /nfs/dbraw/zinc/40/62/31/599406231.db2.gz FNLJYJRKXIXUJC-MLGOLLRUSA-N 0 1 385.497 2.591 20 0 GFADMN COc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)N1CCCCC1 ZINC000821883321 599411034 /nfs/dbraw/zinc/41/10/34/599411034.db2.gz SVTRWFVVLNHNIU-KRWDZBQOSA-N 0 1 382.468 2.785 20 0 GFADMN FC(F)(F)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000822723884 599440452 /nfs/dbraw/zinc/44/04/52/599440452.db2.gz RVMUDNJSGHAVOC-LBPRGKRZSA-N 0 1 378.358 2.847 20 0 GFADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234761 599477576 /nfs/dbraw/zinc/47/75/76/599477576.db2.gz KIWNBGKPQYLDQG-BBRMVZONSA-N 0 1 380.427 2.822 20 0 GFADMN CCCO[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821128297 599574262 /nfs/dbraw/zinc/57/42/62/599574262.db2.gz SWHRSYOUJAAZOG-MRXNPFEDSA-N 0 1 383.456 2.698 20 0 GFADMN CC[C@H](c1ccc(F)cc1)N1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736390819 599581230 /nfs/dbraw/zinc/58/12/30/599581230.db2.gz KIPKEPWCXLAOKX-QGZVFWFLSA-N 0 1 396.474 2.686 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000738799524 599761165 /nfs/dbraw/zinc/76/11/65/599761165.db2.gz HCUCZSGRYDWZJC-XQQFMLRXSA-N 0 1 390.465 2.763 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000738799524 599761166 /nfs/dbraw/zinc/76/11/66/599761166.db2.gz HCUCZSGRYDWZJC-XQQFMLRXSA-N 0 1 390.465 2.763 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952973 599784309 /nfs/dbraw/zinc/78/43/09/599784309.db2.gz YPJMFQMWDYMTPI-JKSUJKDBSA-N 0 1 389.496 2.649 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000736952973 599784311 /nfs/dbraw/zinc/78/43/11/599784311.db2.gz YPJMFQMWDYMTPI-JKSUJKDBSA-N 0 1 389.496 2.649 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)CC2)cs1 ZINC000262424805 599835576 /nfs/dbraw/zinc/83/55/76/599835576.db2.gz QWXCAPXQDMNMIS-NJAFHUGGSA-N 0 1 391.537 2.908 20 0 GFADMN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736743056 599841003 /nfs/dbraw/zinc/84/10/03/599841003.db2.gz VSLSEQSVPUXFHR-AVRDEDQJSA-N 0 1 395.459 2.894 20 0 GFADMN Cc1ccc(C)c(OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000569701235 599865696 /nfs/dbraw/zinc/86/56/96/599865696.db2.gz ZYDJRDJXWMTBGZ-MRXNPFEDSA-N 0 1 379.403 2.908 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2F)CC1 ZINC000737115606 599950044 /nfs/dbraw/zinc/95/00/44/599950044.db2.gz MGBUWCRJWMOFCC-UHFFFAOYSA-N 0 1 387.411 2.624 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)NC3CCC(C(=O)[O-])CC3)CCCCC2)CCO1 ZINC000263249384 599958573 /nfs/dbraw/zinc/95/85/73/599958573.db2.gz OUEDGRAFUXCCGT-UHFFFAOYSA-N 0 1 395.544 2.743 20 0 GFADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000736825289 599976158 /nfs/dbraw/zinc/97/61/58/599976158.db2.gz RAEZHXHOHPWVDQ-QGZVFWFLSA-N 0 1 387.524 2.982 20 0 GFADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000736413847 600014264 /nfs/dbraw/zinc/01/42/64/600014264.db2.gz VNSDSQBHVUGJIL-IEBWSBKVSA-N 0 1 396.915 2.701 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000740175066 600016726 /nfs/dbraw/zinc/01/67/26/600016726.db2.gz CTHWAUUJDNHEDD-CQSZACIVSA-N 0 1 386.539 2.769 20 0 GFADMN O=C([O-])c1ccc(CCNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739430047 600029738 /nfs/dbraw/zinc/02/97/38/600029738.db2.gz MNCHCVZEKBUSMU-HXUWFJFHSA-N 0 1 395.503 2.791 20 0 GFADMN C[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736596038 600062829 /nfs/dbraw/zinc/06/28/29/600062829.db2.gz UKXOIIUEYORZTK-GOSISDBHSA-N 0 1 395.503 2.644 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738236160 600086251 /nfs/dbraw/zinc/08/62/51/600086251.db2.gz LDFPSNGRSYVPGF-HUUCEWRRSA-N 0 1 398.463 2.647 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738236160 600086255 /nfs/dbraw/zinc/08/62/55/600086255.db2.gz LDFPSNGRSYVPGF-HUUCEWRRSA-N 0 1 398.463 2.647 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCCc3ccccc3C2)cc(C(=O)[O-])c1 ZINC000737659809 600094665 /nfs/dbraw/zinc/09/46/65/600094665.db2.gz JDEKPBFWSYZVQI-CQSZACIVSA-N 0 1 396.443 2.947 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C1 ZINC000164646753 600129130 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Cc1oc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1C(=O)[O-] ZINC000833026309 601222832 /nfs/dbraw/zinc/22/28/32/601222832.db2.gz DZFORBSYVYWEES-UHFFFAOYSA-N 0 1 378.450 2.577 20 0 GFADMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000828168127 601251286 /nfs/dbraw/zinc/25/12/86/601251286.db2.gz NBCBCCGHZZEANX-UWVGGRQHSA-N 0 1 395.308 2.795 20 0 GFADMN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000829771048 601253160 /nfs/dbraw/zinc/25/31/60/601253160.db2.gz RFZIDGJBTZAYBC-IBGZPJMESA-N 0 1 398.507 2.720 20 0 GFADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000828296388 601262067 /nfs/dbraw/zinc/26/20/67/601262067.db2.gz WKXCRIJWWURAIX-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000828296388 601262070 /nfs/dbraw/zinc/26/20/70/601262070.db2.gz WKXCRIJWWURAIX-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 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2.844 20 0 GFADMN CCC[C@H]1C[N@@H+](Cc2occc2C(=O)[O-])CCN1Cc1occc1C(=O)OC ZINC000829266513 601554856 /nfs/dbraw/zinc/55/48/56/601554856.db2.gz JTNYJEFPPTVBDH-AWEZNQCLSA-N 0 1 390.436 2.844 20 0 GFADMN O=C([O-])c1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F ZINC000563453446 601615830 /nfs/dbraw/zinc/61/58/30/601615830.db2.gz KDUURHPHWGYZIM-UHFFFAOYSA-N 0 1 398.481 2.528 20 0 GFADMN CCCCC[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(=O)[O-] ZINC000829333228 601642411 /nfs/dbraw/zinc/64/24/11/601642411.db2.gz KLOJXZXDETUVBS-KRWDZBQOSA-N 0 1 379.476 2.731 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000824103718 607518718 /nfs/dbraw/zinc/51/87/18/607518718.db2.gz ILMSHQPQDNCSHD-UHFFFAOYSA-N 0 1 399.499 2.626 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccnc(-c3nnn[n-]3)c2)C2CC2)CC1 ZINC000824103718 607518719 /nfs/dbraw/zinc/51/87/19/607518719.db2.gz ILMSHQPQDNCSHD-UHFFFAOYSA-N 0 1 399.499 2.626 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccnc(-c3nn[n-]n3)c2)C2CC2)CC1 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CCC(=O)N1CC[C@H](C(=O)OCc2nc3ccc(Br)cc3[nH]2)C1 ZINC000780527397 657011476 /nfs/dbraw/zinc/01/14/76/657011476.db2.gz AVGIHSWROXRXDN-JTQLQIEISA-N 0 1 380.242 2.627 20 0 GFADMN Cn1ccnc1-c1cc(NC(=O)c2cn(C(C)(C)C)nc2Br)[nH]n1 ZINC000780655672 657021197 /nfs/dbraw/zinc/02/11/97/657021197.db2.gz KUDJKHHIIRDYJH-UHFFFAOYSA-N 0 1 392.261 2.777 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000782534313 657155455 /nfs/dbraw/zinc/15/54/55/657155455.db2.gz PVNCHBKBOFCGCY-UHFFFAOYSA-N 0 1 381.841 2.591 20 0 GFADMN CCOC(=O)CC1=NC(=S)N[C@H](c2sccc2Cl)C1C(=O)OCC ZINC000783806602 657262244 /nfs/dbraw/zinc/26/22/44/657262244.db2.gz KLBCYQFXPKCXDI-LBPRGKRZSA-N 0 1 388.898 2.691 20 0 GFADMN Cc1ccc(N2CCC[C@H](NCc3cc(Br)nn3C)C2=O)cc1 ZINC000785476800 657367331 /nfs/dbraw/zinc/36/73/31/657367331.db2.gz GAHIKESDHJXVKX-HNNXBMFYSA-N 0 1 377.286 2.776 20 0 GFADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cccnc1I ZINC000787928300 657623877 /nfs/dbraw/zinc/62/38/77/657623877.db2.gz GLHYQLGXNIHFSC-UHFFFAOYSA-N 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Cc1nn(-c2ccccn2)c(Cl)c1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000796310605 658912216 /nfs/dbraw/zinc/91/22/16/658912216.db2.gz BBSCBOWSIBKXPF-ZIAGYGMSSA-N 0 1 382.917 2.675 20 0 GFADMN CC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)[NH+](C)C)c(Cl)cc1Cl ZINC000798865493 659152129 /nfs/dbraw/zinc/15/21/29/659152129.db2.gz WMSGVRGMGHUWPU-CQSZACIVSA-N 0 1 395.308 2.587 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cccc(I)c2O)CCCO1 ZINC000799069304 659162905 /nfs/dbraw/zinc/16/29/05/659162905.db2.gz CWCWBWIQPBOLAO-SNVBAGLBSA-N 0 1 375.206 2.638 20 0 GFADMN COc1ccc(Cl)c(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000799582058 659199622 /nfs/dbraw/zinc/19/96/22/659199622.db2.gz IAOPBWRSPBZVHC-UHFFFAOYSA-N 0 1 375.837 2.986 20 0 GFADMN CC(C)(C)OC(=O)NCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800466770 659311994 /nfs/dbraw/zinc/31/19/94/659311994.db2.gz HDKGLYLENUQQCA-UHFFFAOYSA-N 0 1 383.246 2.580 20 0 GFADMN Cc1nn(C)c(Br)c1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000800838286 659336095 /nfs/dbraw/zinc/33/60/95/659336095.db2.gz AUZLDVMZRPOXPJ-LBPRGKRZSA-N 0 1 391.313 2.668 20 0 GFADMN Cn1c(Cl)cnc1CNCCOc1ccc(I)cc1 ZINC000800889052 659343470 /nfs/dbraw/zinc/34/34/70/659343470.db2.gz IEQVTFBNDZZDQV-UHFFFAOYSA-N 0 1 391.640 2.847 20 0 GFADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)n[nH]1 ZINC000800927162 659351126 /nfs/dbraw/zinc/35/11/26/659351126.db2.gz RCZIEJIWFJGYPD-VIFPVBQESA-N 0 1 382.873 2.750 20 0 GFADMN CC(C)(CNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O)CN1CCCC1 ZINC000800934678 659352993 /nfs/dbraw/zinc/35/29/93/659352993.db2.gz CGONQYSKPCMOGI-UHFFFAOYSA-N 0 1 384.929 2.869 20 0 GFADMN C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1occc1Br ZINC000801734773 659420332 /nfs/dbraw/zinc/42/03/32/659420332.db2.gz IVNUGVWTSTVDQX-LBPRGKRZSA-N 0 1 387.299 2.889 20 0 GFADMN COc1ccc(Br)c(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000803688844 659596830 /nfs/dbraw/zinc/59/68/30/659596830.db2.gz CUDKHCXCDBVRRY-CQSZACIVSA-N 0 1 386.286 2.971 20 0 GFADMN CC(C)(NC(=O)C(F)(F)F)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000804143002 659623390 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CCCN(C)[C@@H](CNS(=O)(=O)C[C@H](C)COC)c1ccc(Cl)cc1 ZINC000567312840 564365961 /nfs/dbraw/zinc/36/59/61/564365961.db2.gz GHEZVXPHCIVNKY-PBHICJAKSA-N 0 1 376.950 2.925 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1N1CCCC1 ZINC000477129169 564366475 /nfs/dbraw/zinc/36/64/75/564366475.db2.gz URMIVCRRLIBPBO-UONOGXRCSA-N 0 1 378.922 2.679 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000511312906 564366575 /nfs/dbraw/zinc/36/65/75/564366575.db2.gz FLMMEZIBLSVREJ-UHFFFAOYSA-N 0 1 388.917 2.623 20 0 GFADMN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc2nc[nH]c2c1 ZINC000511341151 564368101 /nfs/dbraw/zinc/36/81/01/564368101.db2.gz DAMQVDFAOKKWMA-UHFFFAOYSA-N 0 1 378.841 2.523 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br)N(C)C ZINC000451927138 564368359 /nfs/dbraw/zinc/36/83/59/564368359.db2.gz IUZFTHYGISZSJV-QMMMGPOBSA-N 0 1 389.237 2.696 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2csc(I)c2)n[nH]1 ZINC000477321354 564373133 /nfs/dbraw/zinc/37/31/33/564373133.db2.gz 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564389514 /nfs/dbraw/zinc/38/95/14/564389514.db2.gz JKXXLXVVAYKSTC-UWVGGRQHSA-N 0 1 391.228 2.987 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCN2CCCC2(C)C)cc1Cl ZINC000452088227 564389694 /nfs/dbraw/zinc/38/96/94/564389694.db2.gz NRJIAWIROHKZJD-UHFFFAOYSA-N 0 1 391.896 2.590 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000512112656 564392597 /nfs/dbraw/zinc/39/25/97/564392597.db2.gz AGTZQTORFKVLIU-QWHCGFSZSA-N 0 1 397.317 2.512 20 0 GFADMN CC(C)C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)N(C)C ZINC000512156341 564393507 /nfs/dbraw/zinc/39/35/07/564393507.db2.gz YZUFRQXXRAEHBO-HNNXBMFYSA-N 0 1 388.961 2.985 20 0 GFADMN COc1nc(C)c(Br)cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452170765 564398161 /nfs/dbraw/zinc/39/81/61/564398161.db2.gz IVVYSPBJCGIRQL-NSHDSACASA-N 0 1 382.302 2.717 20 0 GFADMN C[C@@H](Sc1ccccc1C(=O)NC[C@H](c1ccsc1)N(C)C)C(N)=O ZINC000512346799 564399006 /nfs/dbraw/zinc/39/90/06/564399006.db2.gz IIMYKHZKXREJGJ-IUODEOHRSA-N 0 1 377.535 2.747 20 0 GFADMN COC(=O)c1cnc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c(Cl)c1 ZINC000568000793 564399651 /nfs/dbraw/zinc/39/96/51/564399651.db2.gz DJCOXSHNVWPJGC-UHFFFAOYSA-N 0 1 386.861 2.717 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000544809650 564400055 /nfs/dbraw/zinc/40/00/55/564400055.db2.gz GRVAZSKDSBKCAO-FZMZJTMJSA-N 0 1 382.254 2.755 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000568086412 564404009 /nfs/dbraw/zinc/40/40/09/564404009.db2.gz UMTIXVOODGSDDP-INIZCTEOSA-N 0 1 377.286 2.849 20 0 GFADMN COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000478469647 564404111 /nfs/dbraw/zinc/40/41/11/564404111.db2.gz BHCIXTXERJIIQT-UHFFFAOYSA-N 0 1 392.253 2.521 20 0 GFADMN CC(C)OC(=O)CCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000568079434 564404603 /nfs/dbraw/zinc/40/46/03/564404603.db2.gz XXPIOOBGOAFMJS-UHFFFAOYSA-N 0 1 392.315 2.544 20 0 GFADMN CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(Cl)cc2F)c1 ZINC000512652459 564407478 /nfs/dbraw/zinc/40/74/78/564407478.db2.gz OILIEAKNQTUMTJ-UHFFFAOYSA-N 0 1 385.892 2.931 20 0 GFADMN Cc1cc(Br)c(C(=O)NC[C@@H]2CCCCN2CCO)cc1Cl ZINC000452368887 564408935 /nfs/dbraw/zinc/40/89/35/564408935.db2.gz DNZYOVKKTQAPBR-LBPRGKRZSA-N 0 1 389.721 2.988 20 0 GFADMN CNC(=O)COc1ccc(NC(=O)c2ccc(Br)c(O)c2)c(C)c1 ZINC000478668910 564411656 /nfs/dbraw/zinc/41/16/56/564411656.db2.gz FOBGYNNBGCWUSF-UHFFFAOYSA-N 0 1 393.237 2.840 20 0 GFADMN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(Br)c(Cl)c1F ZINC000452381568 564411816 /nfs/dbraw/zinc/41/18/16/564411816.db2.gz JVRVJKHEWPNSAX-JTQLQIEISA-N 0 1 393.684 2.818 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CCS1(=O)=O ZINC000545204262 564413390 /nfs/dbraw/zinc/41/33/90/564413390.db2.gz OCLFEPQNDWFZGQ-LLVKDONJSA-N 0 1 375.475 2.551 20 0 GFADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1c[nH]nc1C(C)(C)C ZINC000513013384 564417916 /nfs/dbraw/zinc/41/79/16/564417916.db2.gz YWWUJVPYNXMUBB-UHFFFAOYSA-N 0 1 384.933 2.737 20 0 GFADMN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2ccc(F)cc2Br)C1 ZINC000513093928 564419662 /nfs/dbraw/zinc/41/96/62/564419662.db2.gz FHYCEYJMLZYILV-CYBMUJFWSA-N 0 1 391.306 2.634 20 0 GFADMN CNC(=O)COc1cccc(CNCc2cc(Br)c(OC)s2)c1 ZINC000513089141 564420231 /nfs/dbraw/zinc/42/02/31/564420231.db2.gz LXYASQCFDYZVCU-UHFFFAOYSA-N 0 1 399.310 2.934 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000568567948 564425260 /nfs/dbraw/zinc/42/52/60/564425260.db2.gz XPJBNCKPWBLFRI-SSDOTTSWSA-N 0 1 378.884 2.610 20 0 GFADMN C[C@](NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)(C1CC1)C(F)(F)F ZINC000479125059 564425854 /nfs/dbraw/zinc/42/58/54/564425854.db2.gz CHXAQEWUBLEZBB-AWEZNQCLSA-N 0 1 380.363 2.720 20 0 GFADMN CCc1nnc(NC(=O)CCC(=O)c2cc(Br)ccc2OC)[nH]1 ZINC000479137259 564426924 /nfs/dbraw/zinc/42/69/24/564426924.db2.gz PLZQLNNVAXKTGF-UHFFFAOYSA-N 0 1 381.230 2.740 20 0 GFADMN CCc1n[nH]c(NC(=O)CCC(=O)c2cc(Br)ccc2OC)n1 ZINC000479137259 564426930 /nfs/dbraw/zinc/42/69/30/564426930.db2.gz PLZQLNNVAXKTGF-UHFFFAOYSA-N 0 1 381.230 2.740 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1nnc(CC)[nH]1 ZINC000479166246 564429322 /nfs/dbraw/zinc/42/93/22/564429322.db2.gz NZVZZUJBLFKGCX-NSHDSACASA-N 0 1 382.511 2.670 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1nc(CC)n[nH]1 ZINC000479166246 564429324 /nfs/dbraw/zinc/42/93/24/564429324.db2.gz NZVZZUJBLFKGCX-NSHDSACASA-N 0 1 382.511 2.670 20 0 GFADMN COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000452921809 564437120 /nfs/dbraw/zinc/43/71/20/564437120.db2.gz JCZKGUNCGQHODF-CYBMUJFWSA-N 0 1 382.258 2.985 20 0 GFADMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479486418 564441564 /nfs/dbraw/zinc/44/15/64/564441564.db2.gz FTIVWFBQNAUCRR-UHFFFAOYSA-N 0 1 397.503 2.777 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc3ncsc3c2)ccc1S(C)(=O)=O ZINC000479517222 564442527 /nfs/dbraw/zinc/44/25/27/564442527.db2.gz MSWBTNNGEFGQGO-UHFFFAOYSA-N 0 1 382.488 2.809 20 0 GFADMN Cc1cc(C(=O)N2CCN(c3nccc(C)c3Br)[C@H](C)C2)n[nH]1 ZINC000568969999 564443682 /nfs/dbraw/zinc/44/36/82/564443682.db2.gz VFBVMWBLRKPKFW-GFCCVEGCSA-N 0 1 378.274 2.535 20 0 GFADMN COC(=O)c1ccc(Br)cc1CN(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000514083991 564445813 /nfs/dbraw/zinc/44/58/13/564445813.db2.gz PEDQOEPRNWDHOP-ZDUSSCGKSA-N 0 1 383.286 2.536 20 0 GFADMN Cc1cc(Cl)cc(NC(=O)C(=O)NCCN2CCCC2)c1Br ZINC000453651185 564461780 /nfs/dbraw/zinc/46/17/80/564461780.db2.gz XYUXBNMDIXILGK-UHFFFAOYSA-N 0 1 388.693 2.561 20 0 GFADMN O=C(CCCCc1cn[nH]n1)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000546660929 564463943 /nfs/dbraw/zinc/46/39/43/564463943.db2.gz YWDSZLBKLQLUNF-UHFFFAOYSA-N 0 1 390.245 2.704 20 0 GFADMN CCC[C@@](C)(O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480264612 564466904 /nfs/dbraw/zinc/46/69/04/564466904.db2.gz WDGJIDXDYRNDES-UKRRQHHQSA-N 0 1 376.316 2.808 20 0 GFADMN Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1Br ZINC000453764999 564470439 /nfs/dbraw/zinc/47/04/39/564470439.db2.gz DRNSALGPPKNPPQ-LBPRGKRZSA-N 0 1 394.313 2.639 20 0 GFADMN O=S(=O)([N-]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000480410589 564471865 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ZINC000655875884 566093184 /nfs/dbraw/zinc/09/31/84/566093184.db2.gz ZUPXBVHSXRVTLE-LLVKDONJSA-N 0 1 388.295 2.978 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1O)c1ccc(I)cc1 ZINC000610799701 566099836 /nfs/dbraw/zinc/09/98/36/566099836.db2.gz STDYVONJLPBZIY-UHFFFAOYSA-N 0 1 393.177 2.937 20 0 GFADMN O=C(Cc1cscc1Br)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633528121 566108167 /nfs/dbraw/zinc/10/81/67/566108167.db2.gz PABWLNQGUVGYFL-UHFFFAOYSA-N 0 1 396.310 2.867 20 0 GFADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@H](c2ccc(C)o2)C(F)(F)F)s1 ZINC000656187363 566113304 /nfs/dbraw/zinc/11/33/04/566113304.db2.gz WUMTYXWLSAEMOD-SNVBAGLBSA-N 0 1 397.400 2.893 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN(CCO)[C@H]1CCO[C@@H]1C ZINC000656261425 566120442 /nfs/dbraw/zinc/12/04/42/566120442.db2.gz AQPLNIXDTYCCNE-KDOFPFPSSA-N 0 1 394.313 2.915 20 0 GFADMN CCN(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H](O)C(F)(F)F ZINC000681699311 566123587 /nfs/dbraw/zinc/12/35/87/566123587.db2.gz VSSPSULLFDNUDB-RNCFNFMXSA-N 0 1 376.202 2.978 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)c1c(F)cccc1Br ZINC000634006113 566137659 /nfs/dbraw/zinc/13/76/59/566137659.db2.gz HUHOALMQNZBXBW-UHFFFAOYSA-N 0 1 383.221 2.530 20 0 GFADMN CC1(C)CN(C(=O)CCCc2ccccc2Br)CCN1CCO ZINC000682006532 566139346 /nfs/dbraw/zinc/13/93/46/566139346.db2.gz MIDAOIKVZSPXQB-UHFFFAOYSA-N 0 1 383.330 2.687 20 0 GFADMN CCN1CCN(CC(=O)Nc2ccc(Br)c(OC(C)C)c2)CC1 ZINC000634057698 566141711 /nfs/dbraw/zinc/14/17/11/566141711.db2.gz WSARNBQTROOXOW-UHFFFAOYSA-N 0 1 384.318 2.812 20 0 GFADMN CC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1Cl ZINC000682133002 566145520 /nfs/dbraw/zinc/14/55/20/566145520.db2.gz QCJCPNRPKQNUSQ-OAHLLOKOSA-N 0 1 388.737 2.917 20 0 GFADMN CO[C@H](CS(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1C)C1CCCCC1 ZINC000656623443 566148570 /nfs/dbraw/zinc/14/85/70/566148570.db2.gz RTBFUDGPJNFNOW-QGZVFWFLSA-N 0 1 389.539 2.736 20 0 GFADMN Cc1oc(Br)cc1C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634193736 566148883 /nfs/dbraw/zinc/14/88/83/566148883.db2.gz GUKGHOUVGIOPCK-UHFFFAOYSA-N 0 1 379.258 2.750 20 0 GFADMN CCC[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)c1nn[nH]n1 ZINC000612062097 566150625 /nfs/dbraw/zinc/15/06/25/566150625.db2.gz SLPVRCFHGTTWLW-NSHDSACASA-N 0 1 391.229 2.888 20 0 GFADMN O[C@@H](CSc1nc(-c2ccccc2Br)n[nH]1)CC1(O)CCC1 ZINC000634639010 566161847 /nfs/dbraw/zinc/16/18/47/566161847.db2.gz ADOIDUQNNTXMRQ-SNVBAGLBSA-N 0 1 384.299 2.992 20 0 GFADMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1cc(C)ns1 ZINC000634657572 566166089 /nfs/dbraw/zinc/16/60/89/566166089.db2.gz RAQISBKMTUOYKF-UHFFFAOYSA-N 0 1 381.523 2.750 20 0 GFADMN Cc1ccnc(CS(=O)(=O)c2nc3cc(Br)c(C)[nH]c-3n2)c1 ZINC000682850885 566173509 /nfs/dbraw/zinc/17/35/09/566173509.db2.gz ICRKZOBCBCKMLG-UHFFFAOYSA-N 0 1 381.255 2.706 20 0 GFADMN Cc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c(C)c1Br ZINC000682915683 566177036 /nfs/dbraw/zinc/17/70/36/566177036.db2.gz VLXOPARYAVNNJT-OAHLLOKOSA-N 0 1 381.314 2.860 20 0 GFADMN CCNC(=O)c1cc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)c(C)s1 ZINC000634796773 566180084 /nfs/dbraw/zinc/18/00/84/566180084.db2.gz FPNAFRBHTNQCDI-UHFFFAOYSA-N 0 1 389.886 2.664 20 0 GFADMN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc(C)c(Br)c1 ZINC000634990716 566188208 /nfs/dbraw/zinc/18/82/08/566188208.db2.gz ZJZRBRLAAGBOLL-UHFFFAOYSA-N 0 1 393.329 2.926 20 0 GFADMN Cc1cc(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)n[nH]1 ZINC000683262230 566191394 /nfs/dbraw/zinc/19/13/94/566191394.db2.gz ZBGNFCAWLKKZBB-UHFFFAOYSA-N 0 1 395.644 2.906 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC12CCOCC2 ZINC000683492688 566202576 /nfs/dbraw/zinc/20/25/76/566202576.db2.gz SPTMMLPLLJBQLG-UHFFFAOYSA-N 0 1 377.238 2.686 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000635316368 566205306 /nfs/dbraw/zinc/20/53/06/566205306.db2.gz GTWYMVKCCRBOSE-KRWDZBQOSA-N 0 1 379.254 2.920 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000635317939 566205747 /nfs/dbraw/zinc/20/57/47/566205747.db2.gz LROFXYSDGUXEKH-KRWDZBQOSA-N 0 1 394.269 2.762 20 0 GFADMN COC1CC(CCNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000657035074 566210933 /nfs/dbraw/zinc/21/09/33/566210933.db2.gz MUKWJLRJUKTEQT-UHFFFAOYSA-N 0 1 384.242 2.821 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635462269 566214881 /nfs/dbraw/zinc/21/48/81/566214881.db2.gz OOGFNAUDJGKGHC-INIZCTEOSA-N 0 1 394.313 2.829 20 0 GFADMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000657061817 566215556 /nfs/dbraw/zinc/21/55/56/566215556.db2.gz PHOCMGABMJFRFW-LLVKDONJSA-N 0 1 379.295 2.739 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000657062858 566216167 /nfs/dbraw/zinc/21/61/67/566216167.db2.gz URZCAMHMIZIRLD-LBPRGKRZSA-N 0 1 380.432 2.865 20 0 GFADMN Cc1c(Br)c2ccccc2n1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000683907626 566218609 /nfs/dbraw/zinc/21/86/09/566218609.db2.gz NAXXVDZRXSTWKK-UHFFFAOYSA-N 0 1 376.298 2.876 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633658 566220629 /nfs/dbraw/zinc/22/06/29/566220629.db2.gz YUAZOIRIDYPZOF-GHMZBOCLSA-N 0 1 376.341 2.544 20 0 GFADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000068151606 570625687 /nfs/dbraw/zinc/62/56/87/570625687.db2.gz JOCLITFYIMJMNK-UHFFFAOYSA-N 0 1 383.895 2.836 20 0 in-vitro GFADMN C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735986961 598905976 /nfs/dbraw/zinc/90/59/76/598905976.db2.gz UVAHBPJGCXYWAI-ZDUSSCGKSA-N 0 1 399.524 2.735 20 0 GFADMN CCOC(=O)Cc1csc(Sc2c3ccccc3nnc2-c2nn[nH]n2)n1 ZINC000736601022 598955937 /nfs/dbraw/zinc/95/59/37/598955937.db2.gz YRTRXXRCSGCCGU-UHFFFAOYSA-N 0 1 399.461 2.523 20 0 GFADMN CCCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736452399 599029384 /nfs/dbraw/zinc/02/93/84/599029384.db2.gz WJERQSKGRQERBT-UHFFFAOYSA-N 0 1 385.516 2.813 20 0 GFADMN CCCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000736452399 599029385 /nfs/dbraw/zinc/02/93/85/599029385.db2.gz WJERQSKGRQERBT-UHFFFAOYSA-N 0 1 385.516 2.813 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(C)c2C)cc1-c1nn[nH]n1 ZINC000737187745 599108889 /nfs/dbraw/zinc/10/88/89/599108889.db2.gz TXPGUVHVOMCYSO-LLVKDONJSA-N 0 1 384.465 2.797 20 0 GFADMN CN(CC(=O)[O-])Cn1nc(C[NH+]2CCCCC2)n(-c2ccc(F)cc2)c1=S ZINC000739635067 597055059 /nfs/dbraw/zinc/05/50/59/597055059.db2.gz SXZXYYQVKFKZDY-UHFFFAOYSA-N 0 1 393.488 2.502 20 0 GFADMN CCc1ccccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821491915 607321779 /nfs/dbraw/zinc/32/17/79/607321779.db2.gz CFLWWLGXLAQTJU-UHFFFAOYSA-N 0 1 390.491 2.777 20 0 GFADMN CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620754 598148693 /nfs/dbraw/zinc/14/86/93/598148693.db2.gz SNOGEFIIUGGGNF-VQTJNVASSA-N 0 1 387.524 2.794 20 0 GFADMN CC(C)Cc1nc(-c2nn[nH]n2)c(NNC(=S)N[C@@H](C)c2cccs2)o1 ZINC000735851351 598322914 /nfs/dbraw/zinc/32/29/14/598322914.db2.gz QRWWJTFBXHMGSQ-VIFPVBQESA-N 0 1 392.514 2.667 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736269888 598459056 /nfs/dbraw/zinc/45/90/56/598459056.db2.gz YSONSYJHQXDIIH-OAHLLOKOSA-N 0 1 391.479 2.566 20 0 GFADMN CCn1c(C)cc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1C ZINC000736719237 598502098 /nfs/dbraw/zinc/50/20/98/598502098.db2.gz BODYQRXXVCZBAD-UHFFFAOYSA-N 0 1 376.420 2.503 20 0 GFADMN Cc1ccccc1-c1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000737416556 598502938 /nfs/dbraw/zinc/50/29/38/598502938.db2.gz BUMDHZLUGDPAGP-UHFFFAOYSA-N 0 1 385.387 2.588 20 0 GFADMN CCC[NH+](CCC)CCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736473845 598549729 /nfs/dbraw/zinc/54/97/29/598549729.db2.gz SWBNJUHANAWSJF-UHFFFAOYSA-N 0 1 399.499 2.801 20 0 GFADMN CCC[NH+](CCC)CCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736473845 598549731 /nfs/dbraw/zinc/54/97/31/598549731.db2.gz SWBNJUHANAWSJF-UHFFFAOYSA-N 0 1 399.499 2.801 20 0 GFADMN Clc1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1-c1nnn[n-]1 ZINC000737574243 598575218 /nfs/dbraw/zinc/57/52/18/598575218.db2.gz NCKHDOWSDDMBEW-UHFFFAOYSA-N 0 1 379.921 2.689 20 0 GFADMN Clc1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1-c1nn[n-]n1 ZINC000737574243 598575219 /nfs/dbraw/zinc/57/52/19/598575219.db2.gz NCKHDOWSDDMBEW-UHFFFAOYSA-N 0 1 379.921 2.689 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2ccc3c(c2)OCCO3)c2ccc(Cl)cc12 ZINC000738371190 598722072 /nfs/dbraw/zinc/72/20/72/598722072.db2.gz GPXPIRFURDYCKE-UHFFFAOYSA-N 0 1 395.806 2.655 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC(CC(C)C)CC(C)C)cc1-c1nn[nH]n1 ZINC000737187740 598779578 /nfs/dbraw/zinc/77/95/78/598779578.db2.gz SYLHXQXRQJKYNG-UHFFFAOYSA-N 0 1 378.502 2.880 20 0 GFADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358389 599299244 /nfs/dbraw/zinc/29/92/44/599299244.db2.gz NEUUPJRAZMMIQG-RHSMWYFYSA-N 0 1 395.467 2.657 20 0 GFADMN Fc1cccc(N2CCN(CCOC3CCCCCC3)CC2)c1-c1nn[nH]n1 ZINC000737661862 599363607 /nfs/dbraw/zinc/36/36/07/599363607.db2.gz QSVSBWFQEOXERO-UHFFFAOYSA-N 0 1 388.491 2.867 20 0 GFADMN C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431837 599371804 /nfs/dbraw/zinc/37/18/04/599371804.db2.gz IPGORFUXHSYTDZ-KUHUBIRLSA-N 0 1 392.463 2.835 20 0 GFADMN Brc1ccc2ncc(CNCc3ccc(-c4nn[nH]n4)cc3)n2c1 ZINC000819689227 599405851 /nfs/dbraw/zinc/40/58/51/599405851.db2.gz YEQVZIUTVZSWCO-UHFFFAOYSA-N 0 1 384.241 2.567 20 0 GFADMN COc1ccccc1[C@H](CNc1cccc(-c2nnn[n-]2)n1)[NH+]1CCCCC1 ZINC000737141158 599415120 /nfs/dbraw/zinc/41/51/20/599415120.db2.gz HNSJLQPRHRQRGX-KRWDZBQOSA-N 0 1 379.468 2.909 20 0 GFADMN COc1ccccc1[C@H](CNc1cccc(-c2nn[n-]n2)n1)[NH+]1CCCCC1 ZINC000737141158 599415122 /nfs/dbraw/zinc/41/51/22/599415122.db2.gz HNSJLQPRHRQRGX-KRWDZBQOSA-N 0 1 379.468 2.909 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000823802705 599419053 /nfs/dbraw/zinc/41/90/53/599419053.db2.gz YYXJPCXUCWIBNP-UHFFFAOYSA-N 0 1 381.465 2.828 20 0 GFADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000823802705 599419054 /nfs/dbraw/zinc/41/90/54/599419054.db2.gz YYXJPCXUCWIBNP-UHFFFAOYSA-N 0 1 381.465 2.828 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ncc(C(C)C)s2)cc1-c1nn[nH]n1 ZINC000821977503 599486742 /nfs/dbraw/zinc/48/67/42/599486742.db2.gz HNCXXJJMPMPJBF-UHFFFAOYSA-N 0 1 377.455 2.521 20 0 GFADMN CCC[C@@]1(C)CCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000821026780 599553355 /nfs/dbraw/zinc/55/33/55/599553355.db2.gz BWBJPDOBBJZXJT-KRWDZBQOSA-N 0 1 376.486 2.732 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)cc1 ZINC000737360923 599561468 /nfs/dbraw/zinc/56/14/68/599561468.db2.gz DOAZUTFWSJHKMP-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN CC(C)(C)c1noc(COc2ccc(Oc3nccnc3-c3nn[nH]n3)cc2)n1 ZINC000819971159 599575573 /nfs/dbraw/zinc/57/55/73/599575573.db2.gz FFOBYXOVKONYPG-UHFFFAOYSA-N 0 1 394.395 2.709 20 0 GFADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C3CCC2CC3)c1-c1nn[nH]n1 ZINC000822015796 599690673 /nfs/dbraw/zinc/69/06/73/599690673.db2.gz OSTAOQLGBGGOSA-UHFFFAOYSA-N 0 1 391.479 2.840 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)NCCc3ccc(C(=O)[O-])cc3)CC2)cs1 ZINC000738855920 599708590 /nfs/dbraw/zinc/70/85/90/599708590.db2.gz ZBFBGPPAOKKDHQ-UHFFFAOYSA-N 0 1 387.505 2.721 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000581255587 599714139 /nfs/dbraw/zinc/71/41/39/599714139.db2.gz CRDCZOISEBNIQE-SFHVURJKSA-N 0 1 395.452 2.756 20 0 GFADMN COc1cc(C[N@H+](C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)ccc1SC ZINC000737882232 599714730 /nfs/dbraw/zinc/71/47/30/599714730.db2.gz WSMOIRXAFRTFPO-CYBMUJFWSA-N 0 1 380.510 2.561 20 0 GFADMN COc1cc(C[N@@H+](C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)ccc1SC ZINC000737882232 599714731 /nfs/dbraw/zinc/71/47/31/599714731.db2.gz WSMOIRXAFRTFPO-CYBMUJFWSA-N 0 1 380.510 2.561 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2C)[NH+]2CCCC2)o1 ZINC000738570405 599734083 /nfs/dbraw/zinc/73/40/83/599734083.db2.gz RMHHACLJQGSXLN-INIZCTEOSA-N 0 1 392.477 2.710 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952306 599784745 /nfs/dbraw/zinc/78/47/45/599784745.db2.gz MZDCMFHYZPYNHP-GJZGRUSLSA-N 0 1 377.485 2.529 20 0 GFADMN CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952306 599784747 /nfs/dbraw/zinc/78/47/47/599784747.db2.gz MZDCMFHYZPYNHP-GJZGRUSLSA-N 0 1 377.485 2.529 20 0 GFADMN CC[N@@H+](CCNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)C1CC1 ZINC000737104160 599791371 /nfs/dbraw/zinc/79/13/71/599791371.db2.gz RLHSDIXJVOOGPL-HNNXBMFYSA-N 0 1 398.301 2.748 20 0 GFADMN COc1ccccc1C[NH+]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000738133906 599808341 /nfs/dbraw/zinc/80/83/41/599808341.db2.gz OOZBQFHJNSESGJ-UHFFFAOYSA-N 0 1 380.448 2.518 20 0 GFADMN CN(C(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1C(=O)[O-] ZINC000737321464 599814575 /nfs/dbraw/zinc/81/45/75/599814575.db2.gz FQTOUSIUJBELMY-UHFFFAOYSA-N 0 1 395.503 2.944 20 0 GFADMN C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000737520555 599821227 /nfs/dbraw/zinc/82/12/27/599821227.db2.gz KZFJIFADMNQEGO-LLVKDONJSA-N 0 1 375.347 2.542 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736810817 599827321 /nfs/dbraw/zinc/82/73/21/599827321.db2.gz VPYQBHQWPGWGCK-HUUCEWRRSA-N 0 1 377.485 2.713 20 0 GFADMN Cc1nn(-c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896962 599854344 /nfs/dbraw/zinc/85/43/44/599854344.db2.gz WNSKLQVLVVBVMF-QGZVFWFLSA-N 0 1 398.507 2.578 20 0 GFADMN C[C@@H](c1cccc(NCC(=O)Nc2ccccc2C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000736719390 599856643 /nfs/dbraw/zinc/85/66/43/599856643.db2.gz YNPRRUVRAXEGGI-HNNXBMFYSA-N 0 1 383.448 2.829 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000737650918 599874350 /nfs/dbraw/zinc/87/43/50/599874350.db2.gz OUYRTZJXUQBBCU-LBPRGKRZSA-N 0 1 380.466 2.744 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000737514448 599881302 /nfs/dbraw/zinc/88/13/02/599881302.db2.gz LCYSVGCODCAYBM-NSHDSACASA-N 0 1 389.374 2.789 20 0 GFADMN CCOc1cc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)ccc1OCC(=O)[O-] ZINC000737185919 599931653 /nfs/dbraw/zinc/93/16/53/599931653.db2.gz DRNGECBLVWJDEZ-UHFFFAOYSA-N 0 1 396.403 2.690 20 0 GFADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccco1 ZINC000184952195 599935570 /nfs/dbraw/zinc/93/55/70/599935570.db2.gz DAHAGXVFRWAVJD-OAHLLOKOSA-N 0 1 380.466 2.648 20 0 GFADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000738049381 599950805 /nfs/dbraw/zinc/95/08/05/599950805.db2.gz QUKYXHBXNUKDPN-KDOFPFPSSA-N 0 1 390.480 2.552 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113607 600073940 /nfs/dbraw/zinc/07/39/40/600073940.db2.gz FJOAALZMIXFXAM-KRWDZBQOSA-N 0 1 384.480 2.851 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738735322 600094444 /nfs/dbraw/zinc/09/44/44/600094444.db2.gz AHHLXVJYHZPXSD-KRWDZBQOSA-N 0 1 397.479 2.530 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738735322 600094448 /nfs/dbraw/zinc/09/44/48/600094448.db2.gz AHHLXVJYHZPXSD-KRWDZBQOSA-N 0 1 397.479 2.530 20 0 GFADMN C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000737440713 600097293 /nfs/dbraw/zinc/09/72/93/600097293.db2.gz LBBXDHYCQAVWIS-UHFFFAOYSA-N 0 1 398.507 2.845 20 0 GFADMN Cc1cc(C(=O)NC2CC[NH+](Cn3ncc4cc(C(=O)[O-])ccc43)CC2)c(C)o1 ZINC000738331259 600125856 /nfs/dbraw/zinc/12/58/56/600125856.db2.gz XFXZDXUMQUFGGV-UHFFFAOYSA-N 0 1 396.447 2.796 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C(C)(C)C(=O)[O-] ZINC000737408007 600137112 /nfs/dbraw/zinc/13/71/12/600137112.db2.gz ICCDKSAABMYFNV-JTQLQIEISA-N 0 1 380.666 2.637 20 0 GFADMN Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])cc1 ZINC000738553761 600161041 /nfs/dbraw/zinc/16/10/41/600161041.db2.gz HAPRGQRIBFHCGN-UXHICEINSA-N 0 1 381.476 2.587 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000739622266 600176096 /nfs/dbraw/zinc/17/60/96/600176096.db2.gz DJUWLYZZFFVHDA-PXNSSMCTSA-N 0 1 382.435 2.653 20 0 GFADMN Cc1ccc(COc2c(C)cc(C[N@H+](C)CC(=O)NCC(=O)[O-])cc2C)cc1 ZINC000262205022 600178482 /nfs/dbraw/zinc/17/84/82/600178482.db2.gz IWBQEPDLUIPQAF-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN Cc1ccc(COc2c(C)cc(C[N@@H+](C)CC(=O)NCC(=O)[O-])cc2C)cc1 ZINC000262205022 600178483 /nfs/dbraw/zinc/17/84/83/600178483.db2.gz IWBQEPDLUIPQAF-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC000820165460 607430736 /nfs/dbraw/zinc/43/07/36/607430736.db2.gz QGMKZAOWZHZKTH-IRXDYDNUSA-N 0 1 399.499 2.744 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000736788685 600233963 /nfs/dbraw/zinc/23/39/63/600233963.db2.gz GMXQPYWPROQNTK-WMZOPIPTSA-N 0 1 394.537 2.801 20 0 GFADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736759781 600264145 /nfs/dbraw/zinc/26/41/45/600264145.db2.gz KQHFXZHYQFLFLY-WCQYABFASA-N 0 1 377.441 2.726 20 0 GFADMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736759781 600264146 /nfs/dbraw/zinc/26/41/46/600264146.db2.gz KQHFXZHYQFLFLY-WCQYABFASA-N 0 1 377.441 2.726 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736220114 600287947 /nfs/dbraw/zinc/28/79/47/600287947.db2.gz WUKPJKFUJJBOPF-PWSUYJOCSA-N 0 1 377.441 2.949 20 0 GFADMN Cc1ccsc1CNC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738797922 600328067 /nfs/dbraw/zinc/32/80/67/600328067.db2.gz DBAUFEVKNOHLLH-UHFFFAOYSA-N 0 1 382.432 2.928 20 0 GFADMN Cc1ccsc1CNC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000738797922 600328071 /nfs/dbraw/zinc/32/80/71/600328071.db2.gz DBAUFEVKNOHLLH-UHFFFAOYSA-N 0 1 382.432 2.928 20 0 GFADMN O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000739524571 600349604 /nfs/dbraw/zinc/34/96/04/600349604.db2.gz ICXOLFSGMLLCSZ-MOPGFXCFSA-N 0 1 385.508 2.937 20 0 GFADMN O=C([O-])[C@H]1CC12CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000739526397 600350887 /nfs/dbraw/zinc/35/08/87/600350887.db2.gz OVRXDOLETHSWNA-NVXWUHKLSA-N 0 1 391.537 2.856 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)[C@@H](C)C1 ZINC000737168808 600356490 /nfs/dbraw/zinc/35/64/90/600356490.db2.gz WVMFIQNRJHJNCG-MAUKXSAKSA-N 0 1 392.500 2.713 20 0 GFADMN COc1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000738005627 600358424 /nfs/dbraw/zinc/35/84/24/600358424.db2.gz KJFODTDDEFVBKH-HNNXBMFYSA-N 0 1 385.464 2.713 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(OCC(F)(F)F)c1 ZINC000740150516 600393955 /nfs/dbraw/zinc/39/39/55/600393955.db2.gz RFCNUBFNLRFPLW-LBPRGKRZSA-N 0 1 387.358 2.638 20 0 GFADMN Cc1cc(C)n(CC[NH+]2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000738376698 600406078 /nfs/dbraw/zinc/40/60/78/600406078.db2.gz HHKWIPPEZZHKHA-SFHVURJKSA-N 0 1 376.888 2.597 20 0 GFADMN Cc1nc(CN2CCC[C@H]([N@@H+](C)[C@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000738856666 600407521 /nfs/dbraw/zinc/40/75/21/600407521.db2.gz AHKNZCSDFNTFSJ-RDJZCZTQSA-N 0 1 378.860 2.754 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000738334925 600420578 /nfs/dbraw/zinc/42/05/78/600420578.db2.gz HSXZLNHUUYHNBE-CYBMUJFWSA-N 0 1 379.258 2.770 20 0 GFADMN C[C@H](c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000736719373 600423244 /nfs/dbraw/zinc/42/32/44/600423244.db2.gz YFFUVGDUBRUJKM-CQSZACIVSA-N 0 1 390.461 2.579 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738533886 600434108 /nfs/dbraw/zinc/43/41/08/600434108.db2.gz VWIUNJOGCXXGPG-INIZCTEOSA-N 0 1 393.447 2.554 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738533886 600434111 /nfs/dbraw/zinc/43/41/11/600434111.db2.gz VWIUNJOGCXXGPG-INIZCTEOSA-N 0 1 393.447 2.554 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)CN(C)C[C@H]3CCC[N@@H+](C)C3)c2C(=O)[O-])C1 ZINC000736801616 600555405 /nfs/dbraw/zinc/55/54/05/600555405.db2.gz MPECFRVHGBFNRU-KGLIPLIRSA-N 0 1 393.553 2.783 20 0 GFADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(=O)[O-] ZINC000736860891 600561200 /nfs/dbraw/zinc/56/12/00/600561200.db2.gz CLHVUQXFRNTAFY-SCLBCKFNSA-N 0 1 375.450 2.862 20 0 GFADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737149974 600571478 /nfs/dbraw/zinc/57/14/78/600571478.db2.gz ZNYXKCDZZVLYFB-GXTWGEPZSA-N 0 1 394.493 2.747 20 0 GFADMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736827819 600644800 /nfs/dbraw/zinc/64/48/00/600644800.db2.gz VHZDOBUPWJUKAI-PWSUYJOCSA-N 0 1 386.279 2.799 20 0 GFADMN COC(=O)c1cc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000831300854 600666071 /nfs/dbraw/zinc/66/60/71/600666071.db2.gz HMUSGNFYCNPXMD-BETUJISGSA-N 0 1 377.441 2.556 20 0 GFADMN C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000830595919 600696565 /nfs/dbraw/zinc/69/65/65/600696565.db2.gz BVAQHHYBRGNRKS-MRXNPFEDSA-N 0 1 382.869 2.619 20 0 GFADMN O=C([O-])CC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCCO1 ZINC000573212669 600714316 /nfs/dbraw/zinc/71/43/16/600714316.db2.gz CCTOQKWNNJULLM-OAHLLOKOSA-N 0 1 379.844 2.888 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809552 600715416 /nfs/dbraw/zinc/71/54/16/600715416.db2.gz LXLRUNMGGICXHY-CZUORRHYSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809552 600715418 /nfs/dbraw/zinc/71/54/18/600715418.db2.gz LXLRUNMGGICXHY-CZUORRHYSA-N 0 1 391.468 2.558 20 0 GFADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000737165928 600718975 /nfs/dbraw/zinc/71/89/75/600718975.db2.gz WLQHXUZBYIDZJQ-WDEREUQCSA-N 0 1 379.482 2.627 20 0 GFADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000737165928 600718977 /nfs/dbraw/zinc/71/89/77/600718977.db2.gz WLQHXUZBYIDZJQ-WDEREUQCSA-N 0 1 379.482 2.627 20 0 GFADMN O=C([O-])CC[N@H+](Cn1nc(-c2ccccc2F)oc1=S)C1CCOCC1 ZINC000833235830 600721062 /nfs/dbraw/zinc/72/10/62/600721062.db2.gz 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C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1)C(=O)[O-] ZINC000833544505 604522778 /nfs/dbraw/zinc/52/27/78/604522778.db2.gz ZBWFHXCJYZXZKN-DOTOQJQBSA-N 0 1 380.448 2.961 20 0 GFADMN COc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1NC(=O)[O-] ZINC000829167551 604537759 /nfs/dbraw/zinc/53/77/59/604537759.db2.gz NHIMJPYRQPULBX-GDBMZVCRSA-N 0 1 392.456 2.550 20 0 GFADMN CN(Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)[O-] ZINC000828399547 604551259 /nfs/dbraw/zinc/55/12/59/604551259.db2.gz AIAWSGAPUSEKKE-ROUUACIJSA-N 0 1 390.484 2.561 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000832005111 604571507 /nfs/dbraw/zinc/57/15/07/604571507.db2.gz JHLCTOWUECXLQG-JTDSTZFVSA-N 0 1 387.480 2.762 20 0 GFADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833543636 604620767 /nfs/dbraw/zinc/62/07/67/604620767.db2.gz UBLXHZNJWCNUAN-ZBFHGGJFSA-N 0 1 378.469 2.885 20 0 GFADMN C[C@@H](Oc1ccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1)C(=O)[O-] ZINC000833538469 604620858 /nfs/dbraw/zinc/62/08/58/604620858.db2.gz COFWMGSJHNBLTG-CEXWTWQISA-N 0 1 389.540 2.529 20 0 GFADMN C[C@H](Oc1ccc(CN2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833541851 604636444 /nfs/dbraw/zinc/63/64/44/604636444.db2.gz OMAGLHZTIDRJPZ-KGVIQGDOSA-N 0 1 398.503 2.778 20 0 GFADMN C[C@H](Oc1ccc(C[N@@H+]2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833541851 604636449 /nfs/dbraw/zinc/63/64/49/604636449.db2.gz OMAGLHZTIDRJPZ-KGVIQGDOSA-N 0 1 398.503 2.778 20 0 GFADMN C[C@H](Oc1ccc(C[N@H+]2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833541851 604636452 /nfs/dbraw/zinc/63/64/52/604636452.db2.gz OMAGLHZTIDRJPZ-KGVIQGDOSA-N 0 1 398.503 2.778 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833698249 604708931 /nfs/dbraw/zinc/70/89/31/604708931.db2.gz LSJARVAXZWGBJW-IAGOWNOFSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833698249 604708932 /nfs/dbraw/zinc/70/89/32/604708932.db2.gz LSJARVAXZWGBJW-IAGOWNOFSA-N 0 1 394.880 2.762 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)cc2)C1 ZINC000825923958 604720021 /nfs/dbraw/zinc/72/00/21/604720021.db2.gz BDVKABPRNILZSM-QAPCUYQASA-N 0 1 375.469 2.626 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000832272932 604746010 /nfs/dbraw/zinc/74/60/10/604746010.db2.gz METRSAKETCACMC-PBHICJAKSA-N 0 1 390.480 2.552 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C)nc3nc(C(=O)[O-])nn32)cc1 ZINC000832897195 604809385 /nfs/dbraw/zinc/80/93/85/604809385.db2.gz NDJSBQSDLCWDKI-GFCCVEGCSA-N 0 1 377.408 2.798 20 0 GFADMN Cc1cc(CNc2ccc(N3CCOCC3)[nH+]c2C)cc(C)c1OCC(=O)[O-] ZINC000832886915 604810676 /nfs/dbraw/zinc/81/06/76/604810676.db2.gz YXQNPVIDWZDDPS-UHFFFAOYSA-N 0 1 385.464 2.919 20 0 GFADMN Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1OCC(=O)[O-] ZINC000832861296 604832327 /nfs/dbraw/zinc/83/23/27/604832327.db2.gz YVSBGUNBDFCNCR-APWZRJJASA-N 0 1 386.492 2.856 20 0 GFADMN O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000832248941 604908384 /nfs/dbraw/zinc/90/83/84/604908384.db2.gz ZTVOHGKXKDEZNU-MTQWCTHYSA-N 0 1 385.508 2.936 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000833417720 604934748 /nfs/dbraw/zinc/93/47/48/604934748.db2.gz VTCASYBVHGELJC-WMZOPIPTSA-N 0 1 392.471 2.548 20 0 GFADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829776449 604939510 /nfs/dbraw/zinc/93/95/10/604939510.db2.gz OMGUYGJGCJVGKX-UHFFFAOYSA-N 0 1 399.466 2.591 20 0 GFADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833550003 604950124 /nfs/dbraw/zinc/95/01/24/604950124.db2.gz UEULENYONMKSRU-AVRDEDQJSA-N 0 1 395.503 2.650 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000829139959 604958639 /nfs/dbraw/zinc/95/86/39/604958639.db2.gz BHILIVYATUWTJY-MAUKXSAKSA-N 0 1 389.496 2.623 20 0 GFADMN O=C([O-])CCc1csc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000833240697 604991132 /nfs/dbraw/zinc/99/11/32/604991132.db2.gz UYQHFAMTJKMLFL-MRXNPFEDSA-N 0 1 388.493 2.946 20 0 GFADMN C[C@@]1(c2ccccc2)CC[N@@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833578765 605000796 /nfs/dbraw/zinc/00/07/96/605000796.db2.gz SJTNKWGUUQGBNO-MGPUTAFESA-N 0 1 384.457 2.742 20 0 GFADMN C[C@@]1(c2ccccc2)CC[N@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833578765 605000798 /nfs/dbraw/zinc/00/07/98/605000798.db2.gz SJTNKWGUUQGBNO-MGPUTAFESA-N 0 1 384.457 2.742 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000833781930 605004366 /nfs/dbraw/zinc/00/43/66/605004366.db2.gz PONAJEYIGBFEGB-YVEFUNNKSA-N 0 1 398.912 2.676 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000833593680 605018246 /nfs/dbraw/zinc/01/82/46/605018246.db2.gz YHHRUIZJMVOJTB-OKILXGFUSA-N 0 1 386.489 2.560 20 0 GFADMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CC[N@H+]1C ZINC000833595772 605039450 /nfs/dbraw/zinc/03/94/50/605039450.db2.gz HSRWWNWQZYQIAQ-JQWIXIFHSA-N 0 1 394.415 2.507 20 0 GFADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833616114 605042520 /nfs/dbraw/zinc/04/25/20/605042520.db2.gz PWRIFQSVANXASB-INIZCTEOSA-N 0 1 388.489 2.670 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833616114 605042521 /nfs/dbraw/zinc/04/25/21/605042521.db2.gz PWRIFQSVANXASB-INIZCTEOSA-N 0 1 388.489 2.670 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594651 605088033 /nfs/dbraw/zinc/08/80/33/605088033.db2.gz FJFXNVSILNURQV-KBPBESRZSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833594651 605088038 /nfs/dbraw/zinc/08/80/38/605088038.db2.gz FJFXNVSILNURQV-KBPBESRZSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000833626736 605109152 /nfs/dbraw/zinc/10/91/52/605109152.db2.gz RYDIXLGCQOJQLW-LLVKDONJSA-N 0 1 399.369 2.688 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC000833495984 605135958 /nfs/dbraw/zinc/13/59/58/605135958.db2.gz JUAKOALWZYQUHV-UHFFFAOYSA-N 0 1 394.537 2.544 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000833594695 605141552 /nfs/dbraw/zinc/14/15/52/605141552.db2.gz GCQVHDKPKAJBFQ-KBPBESRZSA-N 0 1 388.468 2.927 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1c2ccccc2Oc2ccccc21 ZINC000833625655 605156150 /nfs/dbraw/zinc/15/61/50/605156150.db2.gz XCCSOHLJBVTYJJ-HNNXBMFYSA-N 0 1 380.444 2.932 20 0 GFADMN CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000833429813 605172281 /nfs/dbraw/zinc/17/22/81/605172281.db2.gz YDAWIPGXRAZTQW-UHFFFAOYSA-N 0 1 388.917 2.781 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833622184 605176036 /nfs/dbraw/zinc/17/60/36/605176036.db2.gz MYUQVKCYVQHSFX-DLBZAZTESA-N 0 1 382.460 2.885 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000184919473 605198570 /nfs/dbraw/zinc/19/85/70/605198570.db2.gz UKMGOEUQEDRZMS-OKILXGFUSA-N 0 1 386.489 2.560 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1 ZINC000833751622 605209903 /nfs/dbraw/zinc/20/99/03/605209903.db2.gz OGUBFFLYEYBITB-WBVHZDCISA-N 0 1 388.489 2.635 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000833438535 605221546 /nfs/dbraw/zinc/22/15/46/605221546.db2.gz DMBJBWXYUSFRGR-QGZVFWFLSA-N 0 1 383.533 2.695 20 0 GFADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000833513132 605232289 /nfs/dbraw/zinc/23/22/89/605232289.db2.gz FUQFCJKHPLQPDP-UONOGXRCSA-N 0 1 380.872 2.556 20 0 GFADMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCCC3CCN(C(=O)[O-])CC3)cc2)C1 ZINC000831179053 605251671 /nfs/dbraw/zinc/25/16/71/605251671.db2.gz QRCLTZCBXHGMEX-SFHVURJKSA-N 0 1 388.512 2.576 20 0 GFADMN C[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC[N@H+]1CCC(=O)[O-] ZINC000833618246 605256243 /nfs/dbraw/zinc/25/62/43/605256243.db2.gz MONLNQLXLKJSJV-ZDUSSCGKSA-N 0 1 384.398 2.744 20 0 GFADMN C[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1CCC(=O)[O-] ZINC000833621028 605258724 /nfs/dbraw/zinc/25/87/24/605258724.db2.gz ZERSPEANEBUFHQ-INIZCTEOSA-N 0 1 386.492 2.536 20 0 GFADMN C[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@H+]1CCC(=O)[O-] ZINC000833621028 605258728 /nfs/dbraw/zinc/25/87/28/605258728.db2.gz ZERSPEANEBUFHQ-INIZCTEOSA-N 0 1 386.492 2.536 20 0 GFADMN Cc1cc(N2CC[NH+](Cc3ccc(OCC(=O)[O-])cc3)CC2)nc(C(C)C)n1 ZINC000833746025 605294374 /nfs/dbraw/zinc/29/43/74/605294374.db2.gz KTWQMUKDGRUTQN-UHFFFAOYSA-N 0 1 384.480 2.694 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CN1C[C@@H](c2ccccc2F)CC1=O ZINC000834162032 605320416 /nfs/dbraw/zinc/32/04/16/605320416.db2.gz NOQNUHYTAOROST-HNSVSWJLSA-N 0 1 375.444 2.752 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2ccccc2F)CC1=O ZINC000834162032 605320422 /nfs/dbraw/zinc/32/04/22/605320422.db2.gz NOQNUHYTAOROST-HNSVSWJLSA-N 0 1 375.444 2.752 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC000834187447 605329866 /nfs/dbraw/zinc/32/98/66/605329866.db2.gz ZLHZHAFGOBYHET-XBVQOTNRSA-N 0 1 377.872 2.939 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000834223600 605338345 /nfs/dbraw/zinc/33/83/45/605338345.db2.gz CIZDHLSZWITTHR-LLVKDONJSA-N 0 1 385.258 2.700 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000834223600 605338350 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/nfs/dbraw/zinc/44/26/26/605442626.db2.gz FRYYZOMRWDQVDH-AVGNSLFASA-N 0 1 375.498 2.758 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833496038 605450016 /nfs/dbraw/zinc/45/00/16/605450016.db2.gz MXVINWMZTANRMM-UHFFFAOYSA-N 0 1 389.477 2.541 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000833419945 605553390 /nfs/dbraw/zinc/55/33/90/605553390.db2.gz KLMZAVACKBSVII-GOSISDBHSA-N 0 1 388.508 2.914 20 0 GFADMN C[N@@H+](Cc1ccc(NC(=O)[O-])nc1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000833874402 605589873 /nfs/dbraw/zinc/58/98/73/605589873.db2.gz LIKAPCGQEOZLPD-OAHLLOKOSA-N 0 1 386.456 2.528 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000832382595 605664861 /nfs/dbraw/zinc/66/48/61/605664861.db2.gz ZSIMSFVYWMWWSU-MRXNPFEDSA-N 0 1 379.888 2.606 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000833819864 605670548 /nfs/dbraw/zinc/67/05/48/605670548.db2.gz WKJUCOIUMANVME-ZENOOKHLSA-N 0 1 382.892 2.630 20 0 GFADMN COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000833708835 605692811 /nfs/dbraw/zinc/69/28/11/605692811.db2.gz PTJDDCFJAFZSKO-YJBOKZPZSA-N 0 1 384.432 2.507 20 0 GFADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833606598 605700951 /nfs/dbraw/zinc/70/09/51/605700951.db2.gz RWQHYYCWZKVRFV-KCXAZCMYSA-N 0 1 384.398 2.687 20 0 GFADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833606598 605700955 /nfs/dbraw/zinc/70/09/55/605700955.db2.gz RWQHYYCWZKVRFV-KCXAZCMYSA-N 0 1 384.398 2.687 20 0 GFADMN CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833641425 605728513 /nfs/dbraw/zinc/72/85/13/605728513.db2.gz YKUPJFJSMVEJFG-NUEKZKHPSA-N 0 1 379.453 2.711 20 0 GFADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)o1 ZINC000827583535 605757190 /nfs/dbraw/zinc/75/71/90/605757190.db2.gz KKTVTXROGJGJSN-YOEHRIQHSA-N 0 1 377.485 2.874 20 0 GFADMN C[C@@H]1CN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC[N@@H+]1CCC(=O)[O-] ZINC000833623660 605766549 /nfs/dbraw/zinc/76/65/49/605766549.db2.gz PHPUWSFBJDRCNW-LLVKDONJSA-N 0 1 395.431 2.709 20 0 GFADMN C[C@@H]1CN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC[N@H+]1CCC(=O)[O-] ZINC000833623660 605766553 /nfs/dbraw/zinc/76/65/53/605766553.db2.gz PHPUWSFBJDRCNW-LLVKDONJSA-N 0 1 395.431 2.709 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000833827973 605889503 /nfs/dbraw/zinc/88/95/03/605889503.db2.gz CKLCKLKMQJWAON-IAGOWNOFSA-N 0 1 388.512 2.984 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)COCc3ccc(Cl)cc3)C2)CC1 ZINC000834093412 605901890 /nfs/dbraw/zinc/90/18/90/605901890.db2.gz LDQVTJWBTADUHW-QGZVFWFLSA-N 0 1 382.888 2.683 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000833614976 605902981 /nfs/dbraw/zinc/90/29/81/605902981.db2.gz YLLGRRKIMQMTSO-GJZGRUSLSA-N 0 1 389.496 2.683 20 0 GFADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC000833488154 605939762 /nfs/dbraw/zinc/93/97/62/605939762.db2.gz JBLCUVCQRWKLNI-OAHLLOKOSA-N 0 1 389.496 2.541 20 0 GFADMN O=C([O-])N[C@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000834135470 606001787 /nfs/dbraw/zinc/00/17/87/606001787.db2.gz YPZMJORKKVYFFR-QGZVFWFLSA-N 0 1 391.418 2.775 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000834183936 606030147 /nfs/dbraw/zinc/03/01/47/606030147.db2.gz RCKRDJODPDXOQT-CABCVRRESA-N 0 1 385.386 2.538 20 0 GFADMN C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000833824527 606035792 /nfs/dbraw/zinc/03/57/92/606035792.db2.gz FESIZQCAAODOIS-DXIQSLLYSA-N 0 1 387.524 2.884 20 0 GFADMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000822242407 606070389 /nfs/dbraw/zinc/07/03/89/606070389.db2.gz KHLRTQWZQFOYRE-INIZCTEOSA-N 0 1 395.442 2.560 20 0 GFADMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000822242345 606071155 /nfs/dbraw/zinc/07/11/55/606071155.db2.gz IVIUKUZQDXJTLA-HNNXBMFYSA-N 0 1 395.442 2.560 20 0 GFADMN Clc1ncc(CN2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000822590153 606154107 /nfs/dbraw/zinc/15/41/07/606154107.db2.gz JHRRMNPDTPSFRR-UHFFFAOYSA-N 0 1 389.916 2.685 20 0 GFADMN CN(Cc1cc(-c2nn[nH]n2)ccc1F)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000821607596 606160124 /nfs/dbraw/zinc/16/01/24/606160124.db2.gz VSOWQDQXAHJBKC-UHFFFAOYSA-N 0 1 392.479 2.989 20 0 GFADMN CCCN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1 ZINC000821099661 606185637 /nfs/dbraw/zinc/18/56/37/606185637.db2.gz NBWCGDRZFMFUMH-UHFFFAOYSA-N 0 1 391.541 2.933 20 0 GFADMN CCc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c1 ZINC000821487842 606210230 /nfs/dbraw/zinc/21/02/30/606210230.db2.gz YZXVCUQLIPDVKL-UHFFFAOYSA-N 0 1 379.829 2.589 20 0 GFADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000823294636 606297092 /nfs/dbraw/zinc/29/70/92/606297092.db2.gz LJRNQDKGLNQHIF-UHFFFAOYSA-N 0 1 378.436 2.811 20 0 GFADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000821649975 606336386 /nfs/dbraw/zinc/33/63/86/606336386.db2.gz HLRLFRWOIVTIEU-ZMYBRWDISA-N 0 1 377.448 2.959 20 0 GFADMN Cc1cc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191727 606416639 /nfs/dbraw/zinc/41/66/39/606416639.db2.gz PHTVFXJNFOQUCX-UGSOOPFHSA-N 0 1 380.427 2.770 20 0 GFADMN COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000821827882 606417382 /nfs/dbraw/zinc/41/73/82/606417382.db2.gz LKBHQVUCMFWQMW-LBPRGKRZSA-N 0 1 390.900 2.959 20 0 GFADMN COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000821827882 606417384 /nfs/dbraw/zinc/41/73/84/606417384.db2.gz LKBHQVUCMFWQMW-LBPRGKRZSA-N 0 1 390.900 2.959 20 0 GFADMN O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000823673753 606421102 /nfs/dbraw/zinc/42/11/02/606421102.db2.gz NKLJIQRTUXMVCG-OCCSQVGLSA-N 0 1 383.399 2.552 20 0 GFADMN O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000823673753 606421105 /nfs/dbraw/zinc/42/11/05/606421105.db2.gz NKLJIQRTUXMVCG-OCCSQVGLSA-N 0 1 383.399 2.552 20 0 GFADMN Cc1cc(F)c(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1F ZINC000822202036 606626995 /nfs/dbraw/zinc/62/69/95/606626995.db2.gz IEWNZSHZNRBUHU-UHFFFAOYSA-N 0 1 381.342 2.651 20 0 GFADMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822202414 606751355 /nfs/dbraw/zinc/75/13/55/606751355.db2.gz YSVHSPPFAMLPBO-UHFFFAOYSA-N 0 1 392.872 2.695 20 0 GFADMN Cc1cccc(C)c1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822293572 606775782 /nfs/dbraw/zinc/77/57/82/606775782.db2.gz CKVOSTIFMMXDPT-UHFFFAOYSA-N 0 1 390.491 2.832 20 0 GFADMN c1ccc2[nH]c(C3CN(CCCOc4ccc(-c5nn[nH]n5)cc4)C3)nc2c1 ZINC000823791280 606847455 /nfs/dbraw/zinc/84/74/55/606847455.db2.gz AKYWFIHHIWGMOB-UHFFFAOYSA-N 0 1 375.436 2.611 20 0 GFADMN Cc1ccc(C)c([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)CO2)c1 ZINC000822231905 606903817 /nfs/dbraw/zinc/90/38/17/606903817.db2.gz MCRJOGZLXJSCEE-CZAAIQMYSA-N 0 1 393.491 2.979 20 0 GFADMN Cc1ccccc1[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)CO1 ZINC000822351753 606904143 /nfs/dbraw/zinc/90/41/43/606904143.db2.gz PWMNTOFYQLSXGY-XPGWFJOJSA-N 0 1 379.464 2.671 20 0 GFADMN CC(C)[C@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820051918 606916525 /nfs/dbraw/zinc/91/65/25/606916525.db2.gz XUYYSJVDCALOQZ-NRFANRHFSA-N 0 1 390.491 2.738 20 0 GFADMN CCc1nnc(NCc2nc3ccc(Cl)cc3[nH]2)c(-c2nn[nH]n2)c1CC ZINC000821541794 606933823 /nfs/dbraw/zinc/93/38/23/606933823.db2.gz ABGFAQUELHQGGI-UHFFFAOYSA-N 0 1 383.847 2.923 20 0 GFADMN Cc1cc(C(=O)NC2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c(C)o1 ZINC000822169007 606968158 /nfs/dbraw/zinc/96/81/58/606968158.db2.gz WIYMABWXHZNLKV-UHFFFAOYSA-N 0 1 398.442 2.610 20 0 GFADMN O=C(NC[C@@H]1CCCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823176303 606979591 /nfs/dbraw/zinc/97/95/91/606979591.db2.gz RGIQEPGFECAVNY-KRWDZBQOSA-N 0 1 394.454 2.790 20 0 GFADMN CN(Cc1cc(Br)cn1C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821611055 606984972 /nfs/dbraw/zinc/98/49/72/606984972.db2.gz OZCIJEAVOMWHLF-UHFFFAOYSA-N 0 1 379.237 2.739 20 0 GFADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOCC2)c1 ZINC000820426662 607058994 /nfs/dbraw/zinc/05/89/94/607058994.db2.gz MDMVAMKVTBLJMU-AWEZNQCLSA-N 0 1 382.443 2.693 20 0 GFADMN CN(C[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596122 607070059 /nfs/dbraw/zinc/07/00/59/607070059.db2.gz AEGSBLHQXSENPS-OAHLLOKOSA-N 0 1 390.463 2.837 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(CCC(F)(F)F)c2ccc(Br)cc12 ZINC000823658066 607237684 /nfs/dbraw/zinc/23/76/84/607237684.db2.gz ZRMXJKSTGQSXBM-UHFFFAOYSA-N 0 1 388.147 2.897 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000824598563 607814431 /nfs/dbraw/zinc/81/44/31/607814431.db2.gz GOERRYHFDKUQMT-GFCCVEGCSA-N 0 1 391.884 2.645 20 0 GFADMN CC(C)CC[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243766 607829315 /nfs/dbraw/zinc/82/93/15/607829315.db2.gz NVRBZRDFFIGPEE-INIZCTEOSA-N 0 1 377.514 2.541 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3ncco3)c2)cc1-c1nn[nH]n1 ZINC000826229827 607835795 /nfs/dbraw/zinc/83/57/95/607835795.db2.gz SVRILXWAPHAQES-UHFFFAOYSA-N 0 1 395.404 2.597 20 0 GFADMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(C)cc1 ZINC000825435315 607923752 /nfs/dbraw/zinc/92/37/52/607923752.db2.gz UALWVEKALWYPGN-GOSISDBHSA-N 0 1 395.463 2.517 20 0 GFADMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(C)cc1 ZINC000825435315 607923753 /nfs/dbraw/zinc/92/37/53/607923753.db2.gz UALWVEKALWYPGN-GOSISDBHSA-N 0 1 395.463 2.517 20 0 GFADMN CCN(Cc1ccccc1C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825439430 608122224 /nfs/dbraw/zinc/12/22/24/608122224.db2.gz BZJMRECHUFTQMK-LJQANCHMSA-N 0 1 376.464 2.803 20 0 GFADMN CCN(C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825398877 608157490 /nfs/dbraw/zinc/15/74/90/608157490.db2.gz ACSWQUWPSGIJAM-DNVCBOLYSA-N 0 1 394.479 2.558 20 0 GFADMN O=C([C@H]1CC12CCN(Cc1cc(-c3nn[nH]n3)ccc1F)CC2)N1CCCCC1 ZINC000826398202 608212837 /nfs/dbraw/zinc/21/28/37/608212837.db2.gz RSKYHEICNKRRNZ-QGZVFWFLSA-N 0 1 398.486 2.620 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826332069 608312240 /nfs/dbraw/zinc/31/22/40/608312240.db2.gz ITQJFAWDKNRMDY-OAHLLOKOSA-N 0 1 395.511 2.876 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826332069 608312242 /nfs/dbraw/zinc/31/22/42/608312242.db2.gz ITQJFAWDKNRMDY-OAHLLOKOSA-N 0 1 395.511 2.876 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826332069 608312243 /nfs/dbraw/zinc/31/22/43/608312243.db2.gz ITQJFAWDKNRMDY-OAHLLOKOSA-N 0 1 395.511 2.876 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826332069 608312245 /nfs/dbraw/zinc/31/22/45/608312245.db2.gz ITQJFAWDKNRMDY-OAHLLOKOSA-N 0 1 395.511 2.876 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000826173794 608324417 /nfs/dbraw/zinc/32/44/17/608324417.db2.gz UYYGTAVTVBLCMJ-UHFFFAOYSA-N 0 1 381.421 2.658 20 0 GFADMN COc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nnn[n-]3)c2)cc1Br ZINC000826189526 608429413 /nfs/dbraw/zinc/42/94/13/608429413.db2.gz XOCYLBQZYJSALA-SNVBAGLBSA-N 0 1 389.257 2.884 20 0 GFADMN COc1ccc([C@@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC000826189526 608429414 /nfs/dbraw/zinc/42/94/14/608429414.db2.gz XOCYLBQZYJSALA-SNVBAGLBSA-N 0 1 389.257 2.884 20 0 GFADMN CCc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704649 608467808 /nfs/dbraw/zinc/46/78/08/608467808.db2.gz LXIWRADOEAPYFU-CABCVRRESA-N 0 1 378.480 2.957 20 0 GFADMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824533118 608475949 /nfs/dbraw/zinc/47/59/49/608475949.db2.gz ZBMKDDPDNKYOPV-QWRGUYRKSA-N 0 1 386.843 2.904 20 0 GFADMN C[C@@H]([NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565157 608577932 /nfs/dbraw/zinc/57/79/32/608577932.db2.gz ZYXUPAHJKPKUBS-CQSZACIVSA-N 0 1 394.483 2.549 20 0 GFADMN C[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565157 608577933 /nfs/dbraw/zinc/57/79/33/608577933.db2.gz ZYXUPAHJKPKUBS-CQSZACIVSA-N 0 1 394.483 2.549 20 0 GFADMN Fc1ccc(/C=C/CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1 ZINC000826373899 608590503 /nfs/dbraw/zinc/59/05/03/608590503.db2.gz DJFMSWILTAEPFK-OWOJBTEDSA-N 0 1 395.442 2.707 20 0 GFADMN COc1ccc(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1C ZINC000826195405 608594944 /nfs/dbraw/zinc/59/49/44/608594944.db2.gz SKTMAYZBPGRNEK-UHFFFAOYSA-N 0 1 382.443 2.645 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824107993 608638946 /nfs/dbraw/zinc/63/89/46/608638946.db2.gz ANNVZKDDIWDGPU-CYBMUJFWSA-N 0 1 378.502 2.807 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000826372480 608641117 /nfs/dbraw/zinc/64/11/17/608641117.db2.gz YLAFWQFCQIERKV-UHFFFAOYSA-N 0 1 377.427 2.809 20 0 GFADMN CCN(C(=O)[C@H]1CCc2[nH]c(C)nc2C1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366556 609268578 /nfs/dbraw/zinc/26/85/78/609268578.db2.gz BVTRZFYZJYFUIT-LRDDRELGSA-N 0 1 379.468 2.613 20 0 GFADMN CN(C)[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000825848433 609286685 /nfs/dbraw/zinc/28/66/85/609286685.db2.gz CRHBTNAKCKLRQS-MRXNPFEDSA-N 0 1 388.834 2.692 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000825405501 609289875 /nfs/dbraw/zinc/28/98/75/609289875.db2.gz CAMWTWLYXLFQMV-HNNXBMFYSA-N 0 1 388.859 2.926 20 0 GFADMN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296772 609329668 /nfs/dbraw/zinc/32/96/68/609329668.db2.gz IRRUKTGBHZVLPQ-GDBMZVCRSA-N 0 1 385.443 2.713 20 0 GFADMN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826296775 609329742 /nfs/dbraw/zinc/32/97/42/609329742.db2.gz IRRUKTGBHZVLPQ-ZBFHGGJFSA-N 0 1 385.443 2.713 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531676 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2.982 20 0 GFADMN C[C@@H]1C[C@H](C)N(CCCCS(C)(=O)=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294586 660189249 /nfs/dbraw/zinc/18/92/49/660189249.db2.gz WWODMGKDQOETLW-PMPSAXMXSA-N 0 1 376.563 2.682 20 0 GFADMN CN1C(=S)N=NC1CCCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000818232737 660220406 /nfs/dbraw/zinc/22/04/06/660220406.db2.gz JWNUKPSAZNLCJX-UHFFFAOYSA-N 0 1 376.869 2.979 20 0 GFADMN C[C@@H](O)c1ncc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)s1 ZINC000819734070 660268020 /nfs/dbraw/zinc/26/80/20/660268020.db2.gz POGYVBKTEXVSPD-SECBINFHSA-N 0 1 377.857 2.607 20 0 GFADMN CC(C)(NC(=O)c1cnc(I)c(O)c1)c1nccs1 ZINC000820049315 660279546 /nfs/dbraw/zinc/27/95/46/660279546.db2.gz BQVRYAFEIPIQAM-UHFFFAOYSA-N 0 1 389.218 2.513 20 0 GFADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1(Br)CC1 ZINC000820453596 660293974 /nfs/dbraw/zinc/29/39/74/660293974.db2.gz WFKXBAWFTIJIBV-UHFFFAOYSA-N 0 1 382.302 2.703 20 0 GFADMN Cc1cnc([C@H](C)NC(=O)c2cnc(I)c(O)c2)s1 ZINC000820647465 660301592 /nfs/dbraw/zinc/30/15/92/660301592.db2.gz 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ZINC000822338069 660343171 /nfs/dbraw/zinc/34/31/71/660343171.db2.gz YCAFXTZFIWXEPK-UHFFFAOYSA-N 0 1 379.917 2.867 20 0 GFADMN CC(C)Cc1ncc(NC(=O)c2cnc(I)c(O)c2)cn1 ZINC000822578157 660348638 /nfs/dbraw/zinc/34/86/38/660348638.db2.gz HAYABNJOXJWUOA-UHFFFAOYSA-N 0 1 398.204 2.633 20 0 GFADMN CN(C)c1nc(Cl)c(C(=O)NC2CCN(Cc3ccncc3)CC2)s1 ZINC000822600525 660349416 /nfs/dbraw/zinc/34/94/16/660349416.db2.gz UNHGJNNTJIPLFZ-UHFFFAOYSA-N 0 1 379.917 2.652 20 0 GFADMN Cc1[nH]ncc1CN(C)C(=O)c1ccnc(Cl)c1I ZINC000824056377 660384713 /nfs/dbraw/zinc/38/47/13/660384713.db2.gz JURZVGUAUIIQHQ-UHFFFAOYSA-N 0 1 390.612 2.643 20 0 GFADMN Cn1c(Cl)cnc1-c1csc(NC(=O)N2CC[C@H](N3CC=CC3)C2)n1 ZINC000824508658 660395071 /nfs/dbraw/zinc/39/50/71/660395071.db2.gz SCQRBPDBPPHIKV-NSHDSACASA-N 0 1 378.889 2.675 20 0 GFADMN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824565218 660397313 /nfs/dbraw/zinc/39/73/13/660397313.db2.gz QRSIYCMKSWBTFY-GFCCVEGCSA-N 0 1 391.281 2.906 20 0 GFADMN COC(=O)c1ccc(CNCCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825168176 660412879 /nfs/dbraw/zinc/41/28/79/660412879.db2.gz VDLFQOXKCDTOIK-UHFFFAOYSA-N 0 1 381.881 2.831 20 0 GFADMN CN1CC[C@@H](NC(=O)c2c(Br)nc3n2CCC3)[C@@H]1c1ccccc1 ZINC000827451582 660496316 /nfs/dbraw/zinc/49/63/16/660496316.db2.gz ITDXYTIRGNWSNE-HIFRSBDPSA-N 0 1 389.297 2.767 20 0 GFADMN COC(=O)[C@@H](CC(F)F)NC(=O)C(F)(F)c1ccccc1Br ZINC000827511077 660500005 /nfs/dbraw/zinc/50/00/05/660500005.db2.gz NKTSWDZGFPCBCX-SECBINFHSA-N 0 1 386.139 2.854 20 0 GFADMN CC(C)(CNCc1nc2ccccn2c1Br)[C@@]1(O)CCCOC1 ZINC000827594287 660504025 /nfs/dbraw/zinc/50/40/25/660504025.db2.gz FOHGFBYONGXKEM-QGZVFWFLSA-N 0 1 382.302 2.754 20 0 GFADMN O=C(c1cc(=O)[nH]cc1Br)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000828205181 660539791 /nfs/dbraw/zinc/53/97/91/660539791.db2.gz XSYJVQLKYJYVSL-KBPBESRZSA-N 0 1 388.265 2.649 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000828289903 660542721 /nfs/dbraw/zinc/54/27/21/660542721.db2.gz RJCUBHQPTHNAPB-HAQNSBGRSA-N 0 1 395.531 2.557 20 0 GFADMN Cc1nc([C@H](C)OC(=O)c2cc(Br)ncc2Br)n[nH]1 ZINC000869848703 662664548 /nfs/dbraw/zinc/66/45/48/662664548.db2.gz MBZWDOZREZCPHN-YFKPBYRVSA-N 0 1 390.035 2.951 20 0 GFADMN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc(Br)n[nH]1 ZINC000829762851 660612382 /nfs/dbraw/zinc/61/23/82/660612382.db2.gz GZPFRCVCYBXLMO-UHFFFAOYSA-N 0 1 381.230 2.525 20 0 GFADMN CC(C)c1ncc(Br)c(C(=O)NCc2cc(N(C)C)ccn2)n1 ZINC000829965476 660626988 /nfs/dbraw/zinc/62/69/88/660626988.db2.gz UWCFPJABYCBKHA-UHFFFAOYSA-N 0 1 378.274 2.754 20 0 GFADMN CCS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000830195214 660641301 /nfs/dbraw/zinc/64/13/01/660641301.db2.gz RBJIROOUDNZCTR-UHFFFAOYSA-N 0 1 388.898 2.779 20 0 GFADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CCN1Cc1ccccc1 ZINC000830589867 660666282 /nfs/dbraw/zinc/66/62/82/660666282.db2.gz SBBBXBXVYDWZOT-HIFRSBDPSA-N 0 1 382.917 2.737 20 0 GFADMN C[C@@](O)(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccccc1 ZINC000830633063 660668224 /nfs/dbraw/zinc/66/82/24/660668224.db2.gz ICFOAAGAWTZSKL-OAHLLOKOSA-N 0 1 375.368 2.597 20 0 GFADMN COc1ccc(Cl)cc1CC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000830834072 660682698 /nfs/dbraw/zinc/68/26/98/660682698.db2.gz WOKUDGTVAOBMHO-OAHLLOKOSA-N 0 1 378.778 2.561 20 0 GFADMN C[C@H](NC(=O)[C@](C)(N)c1ccc(Br)cc1)C(=O)OC1CCCC1 ZINC000831013003 660690352 /nfs/dbraw/zinc/69/03/52/660690352.db2.gz WMHCROFYDCFZOQ-APPDUMDISA-N 0 1 383.286 2.614 20 0 GFADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000831125722 660697491 /nfs/dbraw/zinc/69/74/91/660697491.db2.gz IWNFKJDTKFUIMN-SNVBAGLBSA-N 0 1 396.738 2.649 20 0 GFADMN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1c[nH]nc1Cl ZINC000831404915 660709700 /nfs/dbraw/zinc/70/97/00/660709700.db2.gz YAALWQGATPRZLP-HNNXBMFYSA-N 0 1 382.917 2.642 20 0 GFADMN C[C@H]1CN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CCN1CC(C)(C)O ZINC000832677171 660794169 /nfs/dbraw/zinc/79/41/69/660794169.db2.gz FJFSOYFZRSTDIC-NSHDSACASA-N 0 1 385.295 2.558 20 0 GFADMN C[C@@H](NCCS(=O)(=O)C1CCOCC1)c1ccc(Br)c(F)c1 ZINC000834890359 660837122 /nfs/dbraw/zinc/83/71/22/660837122.db2.gz NDGYMVRNHQYEFR-LLVKDONJSA-N 0 1 394.306 2.833 20 0 GFADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ncc(Br)cc1Br ZINC000901795213 663746250 /nfs/dbraw/zinc/74/62/50/663746250.db2.gz NEDGNLSDSSPPPB-LBPRGKRZSA-N 0 1 396.079 2.576 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)Nc2cc(Br)ncc2C)CC1 ZINC000836541480 660915124 /nfs/dbraw/zinc/91/51/24/660915124.db2.gz XOKOENRLECYWER-UHFFFAOYSA-N 0 1 398.349 2.690 20 0 GFADMN C[C@]1(CNC(=O)N2CCC(CCN3CCOCC3)CC2)CC1(Cl)Cl ZINC000836594864 660919189 /nfs/dbraw/zinc/91/91/89/660919189.db2.gz WNMPKNIVROMLFI-MRXNPFEDSA-N 0 1 378.344 2.714 20 0 GFADMN C[C@]1(CCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1(Cl)Cl ZINC000836624647 660922462 /nfs/dbraw/zinc/92/24/62/660922462.db2.gz SCUONIUGOHBOEQ-ZBFHGGJFSA-N 0 1 378.344 2.714 20 0 GFADMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000016129235 654515194 /nfs/dbraw/zinc/51/51/94/654515194.db2.gz 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O=S(=O)([N-]C[C@H]1CCCC[N@@H+]1C1CC1)c1c(F)c(F)c(F)c(F)c1F ZINC000766207608 656165253 /nfs/dbraw/zinc/16/52/53/656165253.db2.gz REYJSDHOAITEOI-SECBINFHSA-N 0 1 384.370 2.677 20 0 GFADMN O=S(=O)([N-]C[C@H]1CCCC[N@H+]1C1CC1)c1c(F)c(F)c(F)c(F)c1F ZINC000766207608 656165255 /nfs/dbraw/zinc/16/52/55/656165255.db2.gz REYJSDHOAITEOI-SECBINFHSA-N 0 1 384.370 2.677 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000767183711 656195858 /nfs/dbraw/zinc/19/58/58/656195858.db2.gz FOLGEHBLIBESIV-AWEZNQCLSA-N 0 1 383.945 2.800 20 0 GFADMN O=C(/C=C\SCc1ccco1)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000767390770 656201529 /nfs/dbraw/zinc/20/15/29/656201529.db2.gz OIENZCAMICXGDS-CLFYSBASSA-N 0 1 378.431 2.592 20 0 GFADMN CCOC(CCNC(=O)c1c[nH]c2ccc(Br)cc2c1=O)OCC ZINC000768258881 656235667 /nfs/dbraw/zinc/23/56/67/656235667.db2.gz DBFFCLYWDSCZJB-UHFFFAOYSA-N 0 1 397.269 2.810 20 0 GFADMN O=S(=O)(/C=C/c1cccc(Cl)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000768826589 656253295 /nfs/dbraw/zinc/25/32/95/656253295.db2.gz GBRBEMKZNXYAJU-UTGRISEESA-N 0 1 384.929 2.827 20 0 GFADMN O=S(=O)(Nc1ncc(Br)cc1F)c1cccc2c1OCCO2 ZINC000769672868 656285478 /nfs/dbraw/zinc/28/54/78/656285478.db2.gz TXEVJUDWKHVSAZ-UHFFFAOYSA-N 0 1 389.202 2.555 20 0 GFADMN O=C(Nc1nc(-c2cccs2)n[nH]1)c1cnn2cc(Br)cnc12 ZINC000769752325 656290206 /nfs/dbraw/zinc/29/02/06/656290206.db2.gz NYROOAGUENWWMQ-UHFFFAOYSA-N 0 1 390.226 2.591 20 0 GFADMN COc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(=O)[nH]1 ZINC000770515555 656321918 /nfs/dbraw/zinc/32/19/18/656321918.db2.gz OBPCBJQMHYPQIY-ZETCQYMHSA-N 0 1 386.191 2.682 20 0 GFADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)OCc1n[nH]c(C)n1 ZINC000770645971 656325719 /nfs/dbraw/zinc/32/57/19/656325719.db2.gz WHOFUUCAJLKWTM-CYBMUJFWSA-N 0 1 382.258 2.814 20 0 GFADMN COC(=O)C[C@]1(NCC(=O)Nc2ccc(Cl)cc2Cl)CCCOC1 ZINC000770701718 656327317 /nfs/dbraw/zinc/32/73/17/656327317.db2.gz RXRJNXVMPZKPML-MRXNPFEDSA-N 0 1 375.252 2.634 20 0 GFADMN OCC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000771806491 656362944 /nfs/dbraw/zinc/36/29/44/656362944.db2.gz XCEJEDCCFVBWEL-GFCCVEGCSA-N 0 1 375.782 2.585 20 0 GFADMN Cn1ccnc1-c1cc(NC(=O)c2sc(N3CCCC3)nc2Cl)[nH]n1 ZINC000772481531 656381122 /nfs/dbraw/zinc/38/11/22/656381122.db2.gz RIJVPVUWZGXHPO-UHFFFAOYSA-N 0 1 377.861 2.773 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NOc3ccccc3)C2)s1 ZINC000773471926 656451442 /nfs/dbraw/zinc/45/14/42/656451442.db2.gz IFKSHAHKSXXZQA-CQSZACIVSA-N 0 1 380.491 2.567 20 0 GFADMN O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(F)c(Cl)c1F ZINC000773563943 656460096 /nfs/dbraw/zinc/46/00/96/656460096.db2.gz NCVGKDZVEBQLEL-UHFFFAOYSA-N 0 1 386.763 2.797 20 0 GFADMN CN(C)[C@@H](CNS(=O)(=O)c1cccc2scnc21)Cc1ccccc1 ZINC000841475136 661268845 /nfs/dbraw/zinc/26/88/45/661268845.db2.gz ZUOQZWHMRXWHBU-OAHLLOKOSA-N 0 1 375.519 2.748 20 0 GFADMN COc1ccc(Br)c(C(=O)OCCCNC(=O)C(F)(F)F)c1 ZINC000774902913 656568110 /nfs/dbraw/zinc/56/81/10/656568110.db2.gz XFCCDSGYHPXZRJ-UHFFFAOYSA-N 0 1 384.148 2.683 20 0 GFADMN Cc1cc(N2CC[C@H](NCc3cc(C)cc(Br)c3)C2=O)n(C)n1 ZINC000775004350 656584227 /nfs/dbraw/zinc/58/42/27/656584227.db2.gz BVERVHUUZSNEBB-HNNXBMFYSA-N 0 1 377.286 2.695 20 0 GFADMN C[C@H]1CCCN1CCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000775507992 656645018 /nfs/dbraw/zinc/64/50/18/656645018.db2.gz GMBZCUKJQKECMP-WFASDCNBSA-N 0 1 387.343 2.742 20 0 GFADMN CC(C)(CO)N1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000778943826 656896369 /nfs/dbraw/zinc/89/63/69/656896369.db2.gz CSESWQVDJGTXQL-UHFFFAOYSA-N 0 1 389.721 2.560 20 0 GFADMN CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000779039484 656898001 /nfs/dbraw/zinc/89/80/01/656898001.db2.gz GCMKOHLMMBBOJF-UHFFFAOYSA-N 0 1 375.903 2.687 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000780715344 657024966 /nfs/dbraw/zinc/02/49/66/657024966.db2.gz JKHDDPOHOIQOEG-LLVKDONJSA-N 0 1 379.295 2.741 20 0 GFADMN Cc1ccc(/C=C\C(=O)N2CCN(CCO)C(C)(C)C2)c(Br)c1 ZINC000781678043 657071947 /nfs/dbraw/zinc/07/19/47/657071947.db2.gz YJNPOVIRTTUPGF-SREVYHEPSA-N 0 1 381.314 2.686 20 0 GFADMN O=C(NCCOCCOC(=O)[C@@H]1CCc2c1cccc2Cl)C(F)(F)F ZINC000782645777 657169589 /nfs/dbraw/zinc/16/95/89/657169589.db2.gz DWWHDMQUNRRBEU-GFCCVEGCSA-N 0 1 379.762 2.608 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cnc1Br ZINC000782919569 657193473 /nfs/dbraw/zinc/19/34/73/657193473.db2.gz QEMSZKZKHRPZMC-UHFFFAOYSA-N 0 1 394.250 2.795 20 0 GFADMN CO[C@H](C)c1nc(COC(=O)c2ccc(F)cc2NS(C)(=O)=O)cs1 ZINC000783030430 657201656 /nfs/dbraw/zinc/20/16/56/657201656.db2.gz SCHHRTDONQBXMW-SECBINFHSA-N 0 1 388.442 2.718 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)nc1Br ZINC000783956193 657277398 /nfs/dbraw/zinc/27/73/98/657277398.db2.gz YFEYAPSXDAAWAH-UHFFFAOYSA-N 0 1 385.239 2.725 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)/C=C/c1ccccc1Cl ZINC000785314989 657354760 /nfs/dbraw/zinc/35/47/60/657354760.db2.gz QRVMMVJDVGTRCS-NRUITVPNSA-N 0 1 384.929 2.826 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(Br)nn2C)[C@@H]1Oc1ccccc1 ZINC000787276145 657537618 /nfs/dbraw/zinc/53/76/18/657537618.db2.gz PXAACWVIQCLUDO-UXLLHSPISA-N 0 1 380.286 2.897 20 0 GFADMN O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCCN1C1CC1 ZINC000787413149 657553601 /nfs/dbraw/zinc/55/36/01/657553601.db2.gz GHNXBDOQDXSMIK-HOCLYGCPSA-N 0 1 376.806 2.833 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cnc1Cl ZINC000788494283 657730177 /nfs/dbraw/zinc/73/01/77/657730177.db2.gz NRUZMXTZWIOBJS-UHFFFAOYSA-N 0 1 383.857 2.730 20 0 GFADMN Cn1ccnc1[C@](O)(CCNCc1ncc(C(F)(F)F)s1)C(F)(F)F ZINC000788507428 657732842 /nfs/dbraw/zinc/73/28/42/657732842.db2.gz MNFQIRLHUFWHAP-LLVKDONJSA-N 0 1 388.337 2.825 20 0 GFADMN CCC(=O)N1CSC[C@H]1C(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000789051087 657814500 /nfs/dbraw/zinc/81/45/00/657814500.db2.gz MNYFNSVEIJVIBS-LBPRGKRZSA-N 0 1 398.282 2.680 20 0 GFADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cnn(C)c3Br)cccc21 ZINC000790244674 657940782 /nfs/dbraw/zinc/94/07/82/657940782.db2.gz XTFKFVOCMOLPFE-ZDUSSCGKSA-N 0 1 379.258 2.820 20 0 GFADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCCC=C(C)C)s1 ZINC000790888090 658040988 /nfs/dbraw/zinc/04/09/88/658040988.db2.gz DGVMBHBEFGDZRC-UHFFFAOYSA-N 0 1 382.301 2.932 20 0 GFADMN Nc1nccc(N2CCC[C@@H](OC(=O)c3sccc3Br)C2)n1 ZINC000791105275 658060248 /nfs/dbraw/zinc/06/02/48/658060248.db2.gz BTCOIFCNKCOPLC-SECBINFHSA-N 0 1 383.271 2.709 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(Br)n[nH]2)c1 ZINC000791366396 658087002 /nfs/dbraw/zinc/08/70/02/658087002.db2.gz IMWNUOKRPAXEPF-UHFFFAOYSA-N 0 1 387.259 2.576 20 0 GFADMN O=C(Cc1cccnc1Br)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000791394986 658092199 /nfs/dbraw/zinc/09/21/99/658092199.db2.gz OQINUZAPHJXOIX-UHFFFAOYSA-N 0 1 386.253 2.531 20 0 GFADMN C[C@H]1CCSCCN1C(=O)c1cccc(I)c1O ZINC000791903655 658202163 /nfs/dbraw/zinc/20/21/63/658202163.db2.gz AWHNQIVTIHQANG-VIFPVBQESA-N 0 1 377.247 2.964 20 0 GFADMN CCS(=O)(=O)c1ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)s1 ZINC000793205652 658371236 /nfs/dbraw/zinc/37/12/36/658371236.db2.gz SJKUCYPXKDJVFX-UHFFFAOYSA-N 0 1 376.544 2.935 20 0 GFADMN Cc1cc([C@@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)n(C)n1 ZINC000793563538 658407921 /nfs/dbraw/zinc/40/79/21/658407921.db2.gz CVFVRYUBRWZWJE-IUODEOHRSA-N 0 1 377.286 2.947 20 0 GFADMN Cn1cc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)nn1 ZINC000794598430 658575845 /nfs/dbraw/zinc/57/58/45/658575845.db2.gz PDBKVGLCZGMVIA-UHFFFAOYSA-N 0 1 377.813 2.740 20 0 GFADMN CC(C)c1n[nH]c(COC(=O)c2csc(I)c2)n1 ZINC000795398475 658813940 /nfs/dbraw/zinc/81/39/40/658813940.db2.gz WUGQHBXEVUZVEF-UHFFFAOYSA-N 0 1 377.207 2.951 20 0 GFADMN CC(C)c1nc(COC(=O)c2csc(I)c2)n[nH]1 ZINC000795398475 658813947 /nfs/dbraw/zinc/81/39/47/658813947.db2.gz WUGQHBXEVUZVEF-UHFFFAOYSA-N 0 1 377.207 2.951 20 0 GFADMN Brc1ccc(CN(CCC2OCCCO2)CCn2ccnc2)o1 ZINC000796191696 658899746 /nfs/dbraw/zinc/89/97/46/658899746.db2.gz PJSRXDQZIAILBM-UHFFFAOYSA-N 0 1 384.274 2.894 20 0 GFADMN CCCN1CCC[C@H]1CNS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000796201291 658901221 /nfs/dbraw/zinc/90/12/21/658901221.db2.gz HJYFBJXOTDPRAN-NSHDSACASA-N 0 1 394.946 2.649 20 0 GFADMN Cc1nc([C@H]2CCCOC2)sc1C(=O)OCCCNC(=O)C(F)(F)F ZINC000796229243 658906731 /nfs/dbraw/zinc/90/67/31/658906731.db2.gz GKIMLFGAFARATL-JTQLQIEISA-N 0 1 380.388 2.571 20 0 GFADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000797832253 659058138 /nfs/dbraw/zinc/05/81/38/659058138.db2.gz SFTKRVBDDPKAGY-LLVKDONJSA-N 0 1 396.738 2.649 20 0 GFADMN CON(C)C(=O)CCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000799124028 659166880 /nfs/dbraw/zinc/16/68/80/659166880.db2.gz JVIWFKXVEOGJKX-CQSZACIVSA-N 0 1 384.318 2.538 20 0 GFADMN O=S(=O)(CCN[C@@]1(CO)CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000799335745 659183525 /nfs/dbraw/zinc/18/35/25/659183525.db2.gz JUSOCDKMCWWXGI-LJQANCHMSA-N 0 1 379.909 2.927 20 0 GFADMN O=C(NC[C@@H](O)c1ccc(F)cc1)c1cc(Br)cc2nc[nH]c21 ZINC000800515119 659314052 /nfs/dbraw/zinc/31/40/52/659314052.db2.gz UFIXWCSBIXVIIG-CQSZACIVSA-N 0 1 378.201 2.928 20 0 GFADMN O=C(COC(=O)C1CCN(C2CC2)CC1)Cc1cccc(Br)c1 ZINC000801874186 659431945 /nfs/dbraw/zinc/43/19/45/659431945.db2.gz LUSASLDCPNGJCL-UHFFFAOYSA-N 0 1 380.282 2.978 20 0 GFADMN C[Si](C)(C)c1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000801954415 659436693 /nfs/dbraw/zinc/43/66/93/659436693.db2.gz HHFCBKGNCALDSV-UHFFFAOYSA-N 0 1 380.630 2.622 20 0 GFADMN CC(C)N1CCO[C@@H](COC(=O)c2ccc(I)cc2)C1 ZINC000802136336 659448124 /nfs/dbraw/zinc/44/81/24/659448124.db2.gz XLDUQUFSTBULAI-CQSZACIVSA-N 0 1 389.233 2.557 20 0 GFADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000802633346 659490980 /nfs/dbraw/zinc/49/09/80/659490980.db2.gz GCKZLQIAJIZYNM-AWEZNQCLSA-N 0 1 381.263 2.746 20 0 GFADMN O=C(c1cccc(I)c1O)N1CCCCC[C@H]1CCO ZINC000803621705 659593008 /nfs/dbraw/zinc/59/30/08/659593008.db2.gz BYUFKEBALTWEIB-NSHDSACASA-N 0 1 389.233 2.764 20 0 GFADMN C[C@H]1CCN(C(=O)NC[C@H]2CC2(Cl)Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804942802 659700050 /nfs/dbraw/zinc/70/00/50/659700050.db2.gz WQHYZOIFYWXGRS-QEYWKRMJSA-N 0 1 390.233 2.667 20 0 GFADMN COCCCONC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000805042730 659725217 /nfs/dbraw/zinc/72/52/17/659725217.db2.gz DVYQGPJXESXEAE-ABAIWWIYSA-N 0 1 375.252 2.597 20 0 GFADMN CC(C)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(F)(F)F ZINC000805076161 659734339 /nfs/dbraw/zinc/73/43/39/659734339.db2.gz QHNDPOXXPYXQGL-JTQLQIEISA-N 0 1 395.371 2.548 20 0 GFADMN C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805079526 659735596 /nfs/dbraw/zinc/73/55/96/659735596.db2.gz KQBSDNRULYAJFR-QMMMGPOBSA-N 0 1 384.832 2.810 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2COC3=O)cc1Cl ZINC000808127844 659879514 /nfs/dbraw/zinc/87/95/14/659879514.db2.gz TUIFPJXOZPJLMJ-UHFFFAOYSA-N 0 1 381.793 2.598 20 0 GFADMN CCOC(=O)c1ncccc1NS(=O)(=O)Cc1ccccc1Br ZINC000808532581 659896947 /nfs/dbraw/zinc/89/69/47/659896947.db2.gz CNJBIIRMFGNGGT-UHFFFAOYSA-N 0 1 399.266 2.963 20 0 GFADMN CCN(C[C@H]1CCN(Cc2cnc(C3OCCO3)s2)C1)CC(F)(F)F ZINC000809588125 659933247 /nfs/dbraw/zinc/93/32/47/659933247.db2.gz VZMPRPASKGVZDH-GFCCVEGCSA-N 0 1 379.448 2.895 20 0 GFADMN O=C([C@@H]1CCN(Cc2ccccc2I)C1)N1CCCC1 ZINC000809772453 659938863 /nfs/dbraw/zinc/93/88/63/659938863.db2.gz XTPCIUNFBOCOAQ-CQSZACIVSA-N 0 1 384.261 2.736 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000810055291 659958243 /nfs/dbraw/zinc/95/82/43/659958243.db2.gz JVHRDRZPNMXYHM-IAQYHMDHSA-N 0 1 383.341 2.677 20 0 GFADMN O=C(NCCc1ccc(Br)cc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000811876963 660017126 /nfs/dbraw/zinc/01/71/26/660017126.db2.gz AHNDJWOXRFKRJC-LBPRGKRZSA-N 0 1 381.249 2.711 20 0 GFADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)cnc2Br)o1 ZINC000812328198 660024286 /nfs/dbraw/zinc/02/42/86/660024286.db2.gz AUYZUQKMERCLDY-UHFFFAOYSA-N 0 1 389.227 2.723 20 0 GFADMN COC(=O)/C(C)=C\CN[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000812885137 660036090 /nfs/dbraw/zinc/03/60/90/660036090.db2.gz LEBBTOHLDPCDLP-OTAKNEKHSA-N 0 1 386.286 2.980 20 0 GFADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cnn(C)n2)C1 ZINC000815139875 660114056 /nfs/dbraw/zinc/11/40/56/660114056.db2.gz HZXVMWQQDRCZRC-HNNXBMFYSA-N 0 1 378.318 2.953 20 0 GFADMN O=C(NCCCN1CCOc2cc(F)c(Br)cc21)C(F)(F)F ZINC000815304744 660120375 /nfs/dbraw/zinc/12/03/75/660120375.db2.gz KBAQLLMJDUTHOP-UHFFFAOYSA-N 0 1 385.155 2.856 20 0 GFADMN C[C@@H](NCCS(=O)(=O)N1CCOCC1)c1ccccc1SC(C)(C)C ZINC000815591438 660126011 /nfs/dbraw/zinc/12/60/11/660126011.db2.gz HMASRLLYKILYAN-OAHLLOKOSA-N 0 1 386.583 2.890 20 0 GFADMN O=C(CCc1cc(C(F)(F)F)ccc1Br)NCCc1nc[nH]n1 ZINC000815703912 660129033 /nfs/dbraw/zinc/12/90/33/660129033.db2.gz PYCVHYNAHAPTNT-UHFFFAOYSA-N 0 1 391.191 2.878 20 0 GFADMN O=C(NC[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccs1)C(F)(F)F ZINC000817151238 660183972 /nfs/dbraw/zinc/18/39/72/660183972.db2.gz PKOBFQWLAQEAPT-LLVKDONJSA-N 0 1 390.408 2.547 20 0 GFADMN CC(C)(CNCc1nc2ccccn2c1Br)C1(O)CCOCC1 ZINC000841890303 661317555 /nfs/dbraw/zinc/31/75/55/661317555.db2.gz MPUWJUABAHSTLK-UHFFFAOYSA-N 0 1 382.302 2.754 20 0 GFADMN O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627264 661346547 /nfs/dbraw/zinc/34/65/47/661346547.db2.gz UZFDDOTTWHIAFL-PVAVHDDUSA-N 0 1 379.298 2.833 20 0 GFADMN [NH3+]C1CC2(C1)CC([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C2 ZINC000842798311 661355225 /nfs/dbraw/zinc/35/52/25/661355225.db2.gz SVYVJJKOHPJSEO-UHFFFAOYSA-N 0 1 397.697 2.790 20 0 GFADMN CC(C)[C@H](N)c1noc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n1 ZINC000843154180 661371230 /nfs/dbraw/zinc/37/12/30/661371230.db2.gz YOFYGPXMPAOPMI-AWEZNQCLSA-N 0 1 384.527 2.875 20 0 GFADMN OC[C@]1([C@H](NCc2cc(Br)cnc2Cl)C2CC2)CCCO1 ZINC000843412977 661380619 /nfs/dbraw/zinc/38/06/19/661380619.db2.gz XZKZJNPQLOMKFP-HIFRSBDPSA-N 0 1 375.694 2.907 20 0 GFADMN CN(C[C@@H]1CCCOC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844693016 661433990 /nfs/dbraw/zinc/43/39/90/661433990.db2.gz QJGHKTLEEVCRLC-AWEZNQCLSA-N 0 1 379.298 2.991 20 0 GFADMN COCC[N@H+](CCC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000846271493 661541875 /nfs/dbraw/zinc/54/18/75/661541875.db2.gz HZELAXLOFPPVAJ-UHFFFAOYSA-N 0 1 388.258 2.534 20 0 GFADMN COCC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1Br)OCCCO2 ZINC000846271493 661541878 /nfs/dbraw/zinc/54/18/78/661541878.db2.gz HZELAXLOFPPVAJ-UHFFFAOYSA-N 0 1 388.258 2.534 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N1Cc2ccc(Br)cc2C1 ZINC000847401821 661590706 /nfs/dbraw/zinc/59/07/06/661590706.db2.gz KJCCJVCMQDLWCQ-ZDUSSCGKSA-N 0 1 392.257 2.644 20 0 GFADMN CCN(CC)[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000847536286 661596137 /nfs/dbraw/zinc/59/61/37/661596137.db2.gz YWUPIKSIUCXVDZ-LBPRGKRZSA-N 0 1 378.416 2.536 20 0 GFADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000847556535 661597774 /nfs/dbraw/zinc/59/77/74/661597774.db2.gz XDXMVNBNVOBCJR-OLZOCXBDSA-N 0 1 377.384 2.593 20 0 GFADMN CCN(CCNC(=O)c1cnc(F)c(Br)c1)CCC(F)(F)F ZINC000847902109 661615888 /nfs/dbraw/zinc/61/58/88/661615888.db2.gz HMRPSXHLZVAUGU-UHFFFAOYSA-N 0 1 386.187 2.987 20 0 GFADMN CC(C)(C)OC(=O)c1cncc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000848273589 661637933 /nfs/dbraw/zinc/63/79/33/661637933.db2.gz RQNMJIYTEVGLDX-UHFFFAOYSA-N 0 1 384.508 2.908 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1sc(N(C)C)nc1Cl ZINC000848338989 661642362 /nfs/dbraw/zinc/64/23/62/661642362.db2.gz UUCCXOUQYBVTIE-HTQZYQBOSA-N 0 1 398.838 2.534 20 0 GFADMN CC(C)(C)OC(=O)CS(=O)(=O)CCNCc1ccc(Cl)c(Cl)c1 ZINC000849330500 661706160 /nfs/dbraw/zinc/70/61/60/661706160.db2.gz SWFZSACBQRDQLX-UHFFFAOYSA-N 0 1 382.309 2.840 20 0 GFADMN CC(C)(C)OC(=O)[C@@]1(NS(=O)(=O)/C=C/c2cccc(Cl)c2)CCOC1 ZINC000849446746 661726686 /nfs/dbraw/zinc/72/66/86/661726686.db2.gz BXTDNWJWMRLWFZ-PYUISTEWSA-N 0 1 387.885 2.731 20 0 GFADMN CCc1nc([C@@H](C)OC(=O)C=Cc2ccc(I)o2)n[nH]1 ZINC000849630320 661735858 /nfs/dbraw/zinc/73/58/58/661735858.db2.gz WXPXPVNGLCBVLU-WVXIBAHESA-N 0 1 387.177 2.882 20 0 GFADMN O=S(=O)(CCN[C@H]1CCCOc2cc3c(cc21)CCC3)CC(F)(F)F ZINC000850517990 661780259 /nfs/dbraw/zinc/78/02/59/661780259.db2.gz BBEUVLIDUZKVHP-HNNXBMFYSA-N 0 1 377.428 2.956 20 0 GFADMN CCOP(=O)(OCC)[C@H](O)CN1CCN(c2cc(F)ccc2F)CC1 ZINC000851804167 661833238 /nfs/dbraw/zinc/83/32/38/661833238.db2.gz YYTVIVRCFDIUEN-INIZCTEOSA-N 0 1 378.356 2.671 20 0 GFADMN CCCN1CC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000851821454 661835034 /nfs/dbraw/zinc/83/50/34/661835034.db2.gz SIQMSVKYKWWYRJ-JTQLQIEISA-N 0 1 395.308 2.543 20 0 GFADMN O=C(NCCC1SCCS1)NCC1(CN2CCOCC2)CCCCC1 ZINC000852677200 661870827 /nfs/dbraw/zinc/87/08/27/661870827.db2.gz IHYCBEJWYXMRQT-UHFFFAOYSA-N 0 1 387.615 2.765 20 0 GFADMN CC(C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000852698705 661871473 /nfs/dbraw/zinc/87/14/73/661871473.db2.gz NQGYAFWKBZSCAD-CJNGLKHVSA-N 0 1 387.293 2.858 20 0 GFADMN CNC(=O)Cc1nc(CN[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cs1 ZINC000852731275 661872424 /nfs/dbraw/zinc/87/24/24/661872424.db2.gz ITAUDLLTDJNMOE-QZTJIDSGSA-N 0 1 381.929 2.933 20 0 GFADMN COC(=O)NC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000852764698 661873785 /nfs/dbraw/zinc/87/37/85/661873785.db2.gz LCIOXAAKJNIEBP-UHFFFAOYSA-N 0 1 375.238 2.787 20 0 GFADMN C[C@](N)(C(=O)N[C@@H]1C[C@H](O)c2ccccc21)c1ccc(Br)cc1 ZINC000852855583 661875921 /nfs/dbraw/zinc/87/59/21/661875921.db2.gz GBJLBGAIZSNQIU-SOLBZPMBSA-N 0 1 375.266 2.918 20 0 GFADMN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853215158 661885323 /nfs/dbraw/zinc/88/53/23/661885323.db2.gz ONIXDNZWVBUYCI-MFKMUULPSA-N 0 1 382.873 2.614 20 0 GFADMN C[C@@]1(CCNC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1(Cl)Cl ZINC000854113906 661915015 /nfs/dbraw/zinc/91/50/15/661915015.db2.gz UFZZWQUTFHICTK-GOEBONIOSA-N 0 1 378.344 2.857 20 0 GFADMN CC[C@@H](NC)c1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000854153676 661916746 /nfs/dbraw/zinc/91/67/46/661916746.db2.gz VSRFRSJMLGJOMT-SECBINFHSA-N 0 1 383.193 2.659 20 0 GFADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1c(Br)nnn1C ZINC000854819287 661955102 /nfs/dbraw/zinc/95/51/02/661955102.db2.gz UXJZTSSAYXWJMI-SSDOTTSWSA-N 0 1 397.664 2.941 20 0 GFADMN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000855134630 661972228 /nfs/dbraw/zinc/97/22/28/661972228.db2.gz UZHKEAMVLMHYQR-AWEZNQCLSA-N 0 1 376.258 2.664 20 0 GFADMN CCN(C)[C@@H](C(=O)N1CCn2ncc(Br)c2C1)c1ccccc1 ZINC000856010479 662015289 /nfs/dbraw/zinc/01/52/89/662015289.db2.gz IUJCGBBTKAECEI-MRXNPFEDSA-N 0 1 377.286 2.681 20 0 GFADMN C[C@@H]1CCN(C(=O)c2ccccc2Br)C[C@@H]1NC(=O)C(F)(F)F ZINC000856419798 662033010 /nfs/dbraw/zinc/03/30/10/662033010.db2.gz CZQJINDBXYXGQG-SKDRFNHKSA-N 0 1 393.203 2.978 20 0 GFADMN CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3nc(Cl)cs3)C2)ccn1 ZINC000856627959 662037784 /nfs/dbraw/zinc/03/77/84/662037784.db2.gz RYFGWVVGRQJRQM-CQSZACIVSA-N 0 1 380.901 2.937 20 0 GFADMN Cn1cc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(Cl)n1 ZINC000856776046 662043730 /nfs/dbraw/zinc/04/37/30/662043730.db2.gz NDHZSGBSSXZKIJ-UHFFFAOYSA-N 0 1 397.806 2.536 20 0 GFADMN NS(=O)(=O)CCCCCCC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000857354936 662075988 /nfs/dbraw/zinc/07/59/88/662075988.db2.gz PXVHWHKQYULCCK-UHFFFAOYSA-N 0 1 376.841 2.533 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858081532 662098118 /nfs/dbraw/zinc/09/81/18/662098118.db2.gz RMAUYYGQROYRBG-LBPRGKRZSA-N 0 1 377.242 2.738 20 0 GFADMN COCO[C@@H](C)c1cc(F)c(CNC[C@@H]2CCC(=O)N2)cc1Br ZINC000858192950 662104054 /nfs/dbraw/zinc/10/40/54/662104054.db2.gz RVSFQSDORBHCBN-JQWIXIFHSA-N 0 1 389.265 2.638 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2ccc(SC(F)(F)F)nc2)C[C@@H](C)O1 ZINC000858239054 662105761 /nfs/dbraw/zinc/10/57/61/662105761.db2.gz OLXNBRVVBXSSAU-VXGBXAGGSA-N 0 1 377.432 2.923 20 0 GFADMN CC(C)(C[N-]S(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCCCC1 ZINC000858896943 662126625 /nfs/dbraw/zinc/12/66/25/662126625.db2.gz VCXMLGIRHPBPPQ-UHFFFAOYSA-N 0 1 394.310 2.526 20 0 GFADMN CC(C)[C@H](CNC(=O)OCc1ccc(Br)cc1)N1CCN(C)CC1 ZINC000859026034 662132409 /nfs/dbraw/zinc/13/24/09/662132409.db2.gz ZXIKHWRYIMRBLK-KRWDZBQOSA-N 0 1 398.345 2.947 20 0 GFADMN O=C(c1ccc(SC(F)(F)F)nc1)N1CCN(C2CCOCC2)CC1 ZINC000859830247 662176136 /nfs/dbraw/zinc/17/61/36/662176136.db2.gz PUKGVLFMPQAJDZ-UHFFFAOYSA-N 0 1 375.416 2.630 20 0 GFADMN Cc1ccc(NC(=O)N2CCC(C)(N3CCOCC3)CC2)c(Br)n1 ZINC000860802498 662216227 /nfs/dbraw/zinc/21/62/27/662216227.db2.gz CKKSOYXVWZZINJ-UHFFFAOYSA-N 0 1 397.317 2.871 20 0 GFADMN CCc1cc(Cl)cnc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000861671507 662254436 /nfs/dbraw/zinc/25/44/36/662254436.db2.gz NFXCFAXNYDIQIV-CYBMUJFWSA-N 0 1 380.901 2.717 20 0 GFADMN CNC(=O)CCN(C)Cc1cc(Br)c([C@@H](C)OCOC)cc1F ZINC000862238899 662275642 /nfs/dbraw/zinc/27/56/42/662275642.db2.gz NZRDCFWUONJDJH-LLVKDONJSA-N 0 1 391.281 2.838 20 0 GFADMN CCOC(=O)C1=CC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000862882706 662304252 /nfs/dbraw/zinc/30/42/52/662304252.db2.gz SZWYRZWYIFAWDM-NSHDSACASA-N 0 1 378.226 2.707 20 0 GFADMN CC(C)NC(=O)CNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863230662 662316312 /nfs/dbraw/zinc/31/63/12/662316312.db2.gz MSHHRBQEMQTLHD-AWEZNQCLSA-N 0 1 391.368 2.585 20 0 GFADMN COc1nsc(CNC[C@H]2CC3(CO2)CCOCC3)c1Br ZINC000864053682 662352874 /nfs/dbraw/zinc/35/28/74/662352874.db2.gz MLBOFSUTJABESI-SNVBAGLBSA-N 0 1 377.304 2.590 20 0 GFADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000864375478 662368521 /nfs/dbraw/zinc/36/85/21/662368521.db2.gz CEYMJDMTRRDPIG-GHMZBOCLSA-N 0 1 379.258 2.538 20 0 GFADMN COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000864510326 662377774 /nfs/dbraw/zinc/37/77/74/662377774.db2.gz ZODYGZMPZLVFBU-AWEZNQCLSA-N 0 1 382.258 2.887 20 0 GFADMN CCOc1ccc(Br)cc1CN(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1 ZINC000865166378 662401983 /nfs/dbraw/zinc/40/19/83/662401983.db2.gz URQXNTQWGIXQCU-INIZCTEOSA-N 0 1 394.269 2.796 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=S)Nc1c(F)cc(Cl)cc1Cl ZINC000865240222 662407224 /nfs/dbraw/zinc/40/72/24/662407224.db2.gz PXLBWRZOWSXLPO-LBPRGKRZSA-N 0 1 393.315 2.759 20 0 GFADMN Cc1ccnc(CNCc2ccnc(N3CCN(C)CC3)c2)c1Br ZINC000865414670 662419649 /nfs/dbraw/zinc/41/96/49/662419649.db2.gz 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C[C@H](CCn1cccn1)N[C@@H](CO)c1ccccc1I ZINC000898511973 663653966 /nfs/dbraw/zinc/65/39/66/663653966.db2.gz GMKYHKYIOMTMJB-DOMZBBRYSA-N 0 1 385.249 2.590 20 0 GFADMN CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC000898759936 663663219 /nfs/dbraw/zinc/66/32/19/663663219.db2.gz SNYSESOYRUIUIR-VIFPVBQESA-N 0 1 385.251 2.861 20 0 GFADMN O=C(Cc1ccc(Br)c(Cl)c1)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898861927 663666859 /nfs/dbraw/zinc/66/68/59/663666859.db2.gz YTWXBGZWEIAYLE-JTQLQIEISA-N 0 1 399.676 2.583 20 0 GFADMN O=C(Cc1ccc(Br)c(Cl)c1)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898861927 663666861 /nfs/dbraw/zinc/66/68/61/663666861.db2.gz YTWXBGZWEIAYLE-JTQLQIEISA-N 0 1 399.676 2.583 20 0 GFADMN CSc1cc(C(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)ccc1Br ZINC000898864576 663667229 /nfs/dbraw/zinc/66/72/29/663667229.db2.gz VSYKJEQNDVHJBZ-SNVBAGLBSA-N 0 1 397.298 2.723 20 0 GFADMN CSc1cc(C(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)ccc1Br ZINC000898864576 663667230 /nfs/dbraw/zinc/66/72/30/663667230.db2.gz VSYKJEQNDVHJBZ-SNVBAGLBSA-N 0 1 397.298 2.723 20 0 GFADMN O=C(Cc1ccc(Br)cc1Cl)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898864833 663667492 /nfs/dbraw/zinc/66/74/92/663667492.db2.gz YQZPOKFRRNHWOH-JTQLQIEISA-N 0 1 399.676 2.583 20 0 GFADMN O=C(Cc1ccc(Br)cc1Cl)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898864833 663667494 /nfs/dbraw/zinc/66/74/94/663667494.db2.gz YQZPOKFRRNHWOH-JTQLQIEISA-N 0 1 399.676 2.583 20 0 GFADMN NC1(c2noc(C[C@H]3C(=O)Nc4ccc(Br)cc43)n2)CCCC1 ZINC000900005385 663706327 /nfs/dbraw/zinc/70/63/27/663706327.db2.gz HLDVADHDKVCUNO-LLVKDONJSA-N 0 1 377.242 2.839 20 0 GFADMN COc1ccc(Br)cc1C[NH2+][C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900071996 663707727 /nfs/dbraw/zinc/70/77/27/663707727.db2.gz VVQXTGBJVLIEMI-GFCCVEGCSA-N 0 1 380.242 2.977 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC000900613449 663718197 /nfs/dbraw/zinc/71/81/97/663718197.db2.gz KHWAJTVCPSIEGI-OAHLLOKOSA-N 0 1 396.373 2.770 20 0 GFADMN CC(C)(Cc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000901176044 663731861 /nfs/dbraw/zinc/73/18/61/663731861.db2.gz MJXIOLRDDLQESD-CYBMUJFWSA-N 0 1 392.301 2.937 20 0 GFADMN O=C(Cc1cnc[nH]1)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000901274022 663733559 /nfs/dbraw/zinc/73/35/59/663733559.db2.gz RFGGEMPDSDBREI-UHFFFAOYSA-N 0 1 392.175 2.929 20 0 GFADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cn(-c2ccccc2Br)nn1 ZINC000901591957 663738756 /nfs/dbraw/zinc/73/87/56/663738756.db2.gz LAVIJJBMOONKAW-UHFFFAOYSA-N 0 1 381.274 2.963 20 0 GFADMN COc1sc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1Br ZINC000901681678 663741804 /nfs/dbraw/zinc/74/18/04/663741804.db2.gz MHVAIYXZORRUHQ-JTQLQIEISA-N 0 1 378.288 2.975 20 0 GFADMN C[C@@H](Sc1nc(CO)cs1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901689036 663742198 /nfs/dbraw/zinc/74/21/98/663742198.db2.gz YNBYSXVGAAEZBM-UKRRQHHQSA-N 0 1 377.535 2.507 20 0 GFADMN O=C([O-])c1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000901781227 663746082 /nfs/dbraw/zinc/74/60/82/663746082.db2.gz CINQXBYANFWRIU-MRXNPFEDSA-N 0 1 397.313 2.880 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(C)(F)F)n(C)c1 ZINC000901945046 663751761 /nfs/dbraw/zinc/75/17/61/663751761.db2.gz NZEKRWAXKZFXJV-UHFFFAOYSA-N 0 1 376.356 2.863 20 0 GFADMN O=C([O-])C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000901985767 663753069 /nfs/dbraw/zinc/75/30/69/663753069.db2.gz YXSRIDILZAWKLO-UHFFFAOYSA-N 0 1 382.254 2.791 20 0 GFADMN O=C([O-])c1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)o1 ZINC000902364583 663760179 /nfs/dbraw/zinc/76/01/79/663760179.db2.gz JYDXCXOUYRJNJR-CYBMUJFWSA-N 0 1 379.210 2.635 20 0 GFADMN O=C([O-])CN1CCC([NH2+]CC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000902477971 663761869 /nfs/dbraw/zinc/76/18/69/663761869.db2.gz VCYDCVZKVYEMKB-UHFFFAOYSA-N 0 1 381.314 2.910 20 0 GFADMN CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000903135989 663775414 /nfs/dbraw/zinc/77/54/14/663775414.db2.gz UWZKFDWPJWKBNT-UHFFFAOYSA-N 0 1 396.332 2.886 20 0 GFADMN CC(C)(C)OC(=O)Cn1ccc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000903189057 663777611 /nfs/dbraw/zinc/77/76/11/663777611.db2.gz NISVMOUSUGEWOL-CYBMUJFWSA-N 0 1 398.312 2.550 20 0 GFADMN CS(=O)(=O)Cc1nc(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)n[nH]1 ZINC000903297209 663781167 /nfs/dbraw/zinc/78/11/67/663781167.db2.gz RWKRJUCKRHIAJB-QMMMGPOBSA-N 0 1 395.337 2.885 20 0 GFADMN COc1cnc(NS(=O)(=O)c2cnn(C3CCC3)c2)c(Br)c1 ZINC000903632248 663794897 /nfs/dbraw/zinc/79/48/97/663794897.db2.gz MVUURQNNFADJJX-UHFFFAOYSA-N 0 1 387.259 2.575 20 0 GFADMN O=C([O-])[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@H]([C@H]2CCCO2)C1 ZINC000903941819 663813028 /nfs/dbraw/zinc/81/30/28/663813028.db2.gz SLWJGFJJGQELRA-GRYCIOLGSA-N 0 1 375.334 2.545 20 0 GFADMN Cc1cc(Br)c(CN[C@@H](C[NH+](C)C)C(=O)[O-])cc1Br ZINC000904059572 663821531 /nfs/dbraw/zinc/82/15/31/663821531.db2.gz XEJDFPGVYDFIDO-LBPRGKRZSA-N 0 1 394.107 2.624 20 0 GFADMN COCC[C@H]1CNCCN1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000904449792 663835057 /nfs/dbraw/zinc/83/50/57/663835057.db2.gz NPVJYIRKLJYSBD-AWEZNQCLSA-N 0 1 382.302 2.780 20 0 GFADMN COCC[C@@H]1CNCCN1C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000904449793 663835099 /nfs/dbraw/zinc/83/50/99/663835099.db2.gz NPVJYIRKLJYSBD-CQSZACIVSA-N 0 1 382.302 2.780 20 0 GFADMN Ic1ccc(OCc2noc(C34CCC(CC3)N4)n2)cc1 ZINC000904707613 663841654 /nfs/dbraw/zinc/84/16/54/663841654.db2.gz ITJYPJMYXAZAQZ-UHFFFAOYSA-N 0 1 397.216 2.994 20 0 GFADMN CON1CC[C@H](N[C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000905004477 663849231 /nfs/dbraw/zinc/84/92/31/663849231.db2.gz MGZXIFBLYBZVID-DLBZAZTESA-N 0 1 390.281 2.880 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CNC[C@H](O)CC1(O)CCCCC1 ZINC000905028188 663849972 /nfs/dbraw/zinc/84/99/72/663849972.db2.gz YDKXPCAIKWTSOB-OAHLLOKOSA-N 0 1 399.329 2.732 20 0 GFADMN C[C@H]1C[C@@H](NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144449 663855210 /nfs/dbraw/zinc/85/52/10/663855210.db2.gz JFKWGVYASWZELO-AMKSKSKJSA-N 0 1 383.279 2.544 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)Nc2cncc(Cl)c2Br)cc1=O ZINC000905474382 663873192 /nfs/dbraw/zinc/87/31/92/663873192.db2.gz QPTVPFYYCGKZHO-UHFFFAOYSA-N 0 1 387.665 2.825 20 0 GFADMN CN(Cc1cn(CC(=O)Nc2ccc(Br)cc2)nn1)C(C)(C)C ZINC000905781826 663892036 /nfs/dbraw/zinc/89/20/36/663892036.db2.gz MUYFTPPXWXDUBH-UHFFFAOYSA-N 0 1 380.290 2.910 20 0 GFADMN CC(C)NCc1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000905802668 663892927 /nfs/dbraw/zinc/89/29/27/663892927.db2.gz AEXODGVTIVUYJO-UHFFFAOYSA-N 0 1 383.275 2.698 20 0 GFADMN CC(C)NCc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000905804911 663892956 /nfs/dbraw/zinc/89/29/56/663892956.db2.gz RMRCNHGBLNBIOY-OAHLLOKOSA-N 0 1 378.274 2.517 20 0 GFADMN CC[C@](O)(Cn1cc([C@@H](N)c2ccc(Br)cc2)nn1)C(F)(F)F ZINC000905827779 663894122 /nfs/dbraw/zinc/89/41/22/663894122.db2.gz KKWNRPMKDIXFOH-STQMWFEESA-N 0 1 393.207 2.792 20 0 GFADMN CN1CCC[C@@H](NC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 ZINC000906585013 663959989 /nfs/dbraw/zinc/95/99/89/663959989.db2.gz NZOXQPVGBQYUCU-GFCCVEGCSA-N 0 1 383.315 2.579 20 0 GFADMN CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)C1 ZINC000907028490 663994761 /nfs/dbraw/zinc/99/47/61/663994761.db2.gz IKWIAVVINBZZDR-JTQLQIEISA-N 0 1 392.880 2.576 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCOc3c(F)cccc32)oc1Cl ZINC000907148341 664006928 /nfs/dbraw/zinc/00/69/28/664006928.db2.gz JQRFXGQPMRRQOO-NSHDSACASA-N 0 1 389.788 2.661 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NCCC2CC(OC(C)(C)C)C2)oc1Cl ZINC000907153897 664007208 /nfs/dbraw/zinc/00/72/08/664007208.db2.gz HVHYGMLAVDOOOQ-UHFFFAOYSA-N 0 1 393.889 2.982 20 0 GFADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000907419394 664033177 /nfs/dbraw/zinc/03/31/77/664033177.db2.gz ZWXGAGYBDMHXSM-QWRGUYRKSA-N 0 1 379.258 2.538 20 0 GFADMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)C1 ZINC000907419983 664033208 /nfs/dbraw/zinc/03/32/08/664033208.db2.gz SBQJSEDBKJUSHB-SNVBAGLBSA-N 0 1 383.677 2.966 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCOc3c(F)cccc32)oc1Cl ZINC000907442916 664035145 /nfs/dbraw/zinc/03/51/45/664035145.db2.gz JQRFXGQPMRRQOO-LLVKDONJSA-N 0 1 389.788 2.661 20 0 GFADMN O=C(c1ccc(-c2cccc(F)c2)s1)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907477785 664039328 /nfs/dbraw/zinc/03/93/28/664039328.db2.gz SEJTVVXVTPJNOG-LBPRGKRZSA-N 0 1 375.454 2.998 20 0 GFADMN Cc1nc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)sc1Br ZINC000907659258 664051487 /nfs/dbraw/zinc/05/14/87/664051487.db2.gz LSNPFLGSLLHTBN-CBLAIPOGSA-N 0 1 383.358 2.919 20 0 GFADMN O=C(N[C@@H](c1nccs1)C(F)(F)F)C1CCC(N2CCOCC2)CC1 ZINC000908429240 664105928 /nfs/dbraw/zinc/10/59/28/664105928.db2.gz YKQAVPPOSPXSRK-BPCQOVAHSA-N 0 1 377.432 2.754 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000908727073 664124060 /nfs/dbraw/zinc/12/40/60/664124060.db2.gz NXIXZFFEPOSRFR-HOCLYGCPSA-N 0 1 395.297 2.909 20 0 GFADMN C[C@@H](NC(=O)C=CCN1CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000908853975 664130841 /nfs/dbraw/zinc/13/08/41/664130841.db2.gz AZSZEAKOYBRKCP-OTDNITJGSA-N 0 1 383.279 2.935 20 0 GFADMN C[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000908851503 664130874 /nfs/dbraw/zinc/13/08/74/664130874.db2.gz MYJGBCKQMWONNY-ABAIWWIYSA-N 0 1 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20 0 GFADMN C[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@@H](C)S1=O ZINC000331137342 563537169 /nfs/dbraw/zinc/53/71/69/563537169.db2.gz SKGHTWNWRZFHDR-GHMZBOCLSA-N 0 1 396.310 2.821 20 0 GFADMN CN1CCN(CCC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000331158709 563537863 /nfs/dbraw/zinc/53/78/63/563537863.db2.gz FJLFGTUFKSXAOK-UHFFFAOYSA-N 0 1 394.368 2.688 20 0 GFADMN CC1CC[NH+](C[C@H](O)C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000331227535 563541486 /nfs/dbraw/zinc/54/14/86/563541486.db2.gz NYRTZPYDWFSMCE-GFCCVEGCSA-N 0 1 399.315 2.504 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)cc1Cl ZINC000331303689 563544961 /nfs/dbraw/zinc/54/49/61/563544961.db2.gz WBZTZEMDBKFKMS-UHFFFAOYSA-N 0 1 387.933 2.699 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cc(Cl)ccc2I)n[nH]1 ZINC000286183839 563551806 /nfs/dbraw/zinc/55/18/06/563551806.db2.gz AAUFLUGMQZFVNO-LURJTMIESA-N 0 1 390.612 2.862 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)n[nH]1 ZINC000286188737 563551755 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GFADMN O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000442947059 563785118 /nfs/dbraw/zinc/78/51/18/563785118.db2.gz UHQFRIFYIIWARK-CQSZACIVSA-N 0 1 399.866 2.681 20 0 GFADMN O=S(=O)([N-]CC(F)(F)F)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000442947059 563785121 /nfs/dbraw/zinc/78/51/21/563785121.db2.gz UHQFRIFYIIWARK-CQSZACIVSA-N 0 1 399.866 2.681 20 0 GFADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000443103226 563791919 /nfs/dbraw/zinc/79/19/19/563791919.db2.gz KIPPNCXEWSQIHT-STQMWFEESA-N 0 1 388.917 2.668 20 0 GFADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000443103225 563791998 /nfs/dbraw/zinc/79/19/98/563791998.db2.gz KIPPNCXEWSQIHT-QWHCGFSZSA-N 0 1 388.917 2.668 20 0 GFADMN CC[C@H](NS(=O)(=O)c1csnc1C(=O)OC)c1ccc(F)cc1F ZINC000443115719 563792629 /nfs/dbraw/zinc/79/26/29/563792629.db2.gz IYJZRDJYEACGJG-NSHDSACASA-N 0 1 376.406 2.638 20 0 GFADMN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN([C@@H]2CCSC2)CC1 ZINC000366096846 563798898 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CN(C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCSC1 ZINC000444081864 563820531 /nfs/dbraw/zinc/82/05/31/563820531.db2.gz UYVAXFWIPVUPLP-ZDUSSCGKSA-N 0 1 386.436 2.560 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1coc(CN)c1 ZINC000444155997 563822526 /nfs/dbraw/zinc/82/25/26/563822526.db2.gz NHXWRAAFGCFTDN-UHFFFAOYSA-N 0 1 380.242 2.568 20 0 GFADMN CS(=O)(=O)N1CC[C@H](CN2CCC[C@H]2c2ccccc2Br)C1 ZINC000366887115 563823765 /nfs/dbraw/zinc/82/37/65/563823765.db2.gz UXVKZGDQUQHQIW-CJNGLKHVSA-N 0 1 387.343 2.868 20 0 GFADMN CS(=O)(=O)CC1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000293859170 563825981 /nfs/dbraw/zinc/82/59/81/563825981.db2.gz KHGJXZXTMGCBDU-UHFFFAOYSA-N 0 1 387.914 2.688 20 0 GFADMN CCCN(CC(C)(C)O)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444285355 563826874 /nfs/dbraw/zinc/82/68/74/563826874.db2.gz WDWOASOBSFRZCM-UHFFFAOYSA-N 0 1 381.270 2.914 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c(F)cc1Br ZINC000416424921 563827430 /nfs/dbraw/zinc/82/74/30/563827430.db2.gz 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COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000416469283 563833968 /nfs/dbraw/zinc/83/39/68/563833968.db2.gz DCELDPVZDFPVQY-CHWSQXEVSA-N 0 1 388.917 2.525 20 0 GFADMN O=C1[C@@H](N2CCN([C@H]3CCSC3)CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000367199570 563835530 /nfs/dbraw/zinc/83/55/30/563835530.db2.gz CQFVMCHPCDCUSY-YOEHRIQHSA-N 0 1 383.920 2.708 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NCCc1cc(C(F)(F)F)ccn1 ZINC000294254294 563836101 /nfs/dbraw/zinc/83/61/01/563836101.db2.gz SQYNUQNBUGAECN-UHFFFAOYSA-N 0 1 380.442 2.692 20 0 GFADMN O=C(CN(CCO)C1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000444768964 563836629 /nfs/dbraw/zinc/83/66/29/563836629.db2.gz GSYYNAXKUUUKRE-UHFFFAOYSA-N 0 1 380.794 2.771 20 0 GFADMN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444800978 563837739 /nfs/dbraw/zinc/83/77/39/563837739.db2.gz LUAOCCQHRWIDSN-MLGOLLRUSA-N 0 1 389.323 2.985 20 0 GFADMN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(I)c2)CN1 ZINC000367434986 563844121 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CS[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@@H]1N1CCCC1 ZINC000445736400 563853333 /nfs/dbraw/zinc/85/33/33/563853333.db2.gz ROLQQQPSHUWUMU-KBPBESRZSA-N 0 1 378.922 2.679 20 0 GFADMN CSc1ccccc1S(=O)(=O)Nc1cccc(N2CN=NC2=O)c1C ZINC000367959860 563860620 /nfs/dbraw/zinc/86/06/20/563860620.db2.gz HCTDPKAOKFNAEA-UHFFFAOYSA-N 0 1 376.463 2.804 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000416787654 563861263 /nfs/dbraw/zinc/86/12/63/563861263.db2.gz OUMOJQFXRKOCRP-SNVBAGLBSA-N 0 1 390.267 2.571 20 0 GFADMN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1C[C@H](F)CN1 ZINC000446378075 563863417 /nfs/dbraw/zinc/86/34/17/563863417.db2.gz YLCWLYHXUQVTDS-XHDPSFHLSA-N 0 1 384.238 2.842 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000417038901 563865726 /nfs/dbraw/zinc/86/57/26/563865726.db2.gz JTIMCBYPGNEPBQ-NEPJUHHUSA-N 0 1 388.281 2.815 20 0 GFADMN C[C@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)Oc1cccc(Br)c1 ZINC000368196243 563865992 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CN(C)Cc1cc(CNC(=S)Nc2ccccc2-c2nn[nH]n2)ccc1F ZINC000736771418 598977862 /nfs/dbraw/zinc/97/78/62/598977862.db2.gz KSFNVUWRPBKVSF-UHFFFAOYSA-N 0 1 385.472 2.554 20 0 GFADMN Cc1ccc(CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1C ZINC000737342752 598992353 /nfs/dbraw/zinc/99/23/53/598992353.db2.gz UGYQOCWIKSDWAT-UHFFFAOYSA-N 0 1 390.491 2.764 20 0 GFADMN NC(=O)[C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737745333 599011880 /nfs/dbraw/zinc/01/18/80/599011880.db2.gz WNBUEIUQJGINED-CYBMUJFWSA-N 0 1 385.840 2.715 20 0 GFADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCCN2CCc3sccc3C2)n1 ZINC000737635500 599048011 /nfs/dbraw/zinc/04/80/11/599048011.db2.gz IEHVCJOWMMNQHI-UHFFFAOYSA-N 0 1 395.414 2.812 20 0 GFADMN CN(CC12CC3CC(CC(C3)C1)C2)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736795685 599066928 /nfs/dbraw/zinc/06/69/28/599066928.db2.gz XJLDVSYRPABWQG-TYUXRXASSA-N 0 1 380.496 2.541 20 0 GFADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(CCc2ccccc2)CC1 ZINC000737745394 599068714 /nfs/dbraw/zinc/06/87/14/599068714.db2.gz YBEXEXUFWSQWNY-HXUWFJFHSA-N 0 1 390.491 2.738 20 0 GFADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821614595 599081127 /nfs/dbraw/zinc/08/11/27/599081127.db2.gz MMBCTSDOLNVKBS-MRXNPFEDSA-N 0 1 386.463 2.521 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821614595 599081130 /nfs/dbraw/zinc/08/11/30/599081130.db2.gz MMBCTSDOLNVKBS-MRXNPFEDSA-N 0 1 386.463 2.521 20 0 GFADMN C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821614595 599081132 /nfs/dbraw/zinc/08/11/32/599081132.db2.gz MMBCTSDOLNVKBS-MRXNPFEDSA-N 0 1 386.463 2.521 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821614595 599081134 /nfs/dbraw/zinc/08/11/34/599081134.db2.gz MMBCTSDOLNVKBS-MRXNPFEDSA-N 0 1 386.463 2.521 20 0 GFADMN CCSCc1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000736666788 599097862 /nfs/dbraw/zinc/09/78/62/599097862.db2.gz ODHQUBMOYQLVDM-UHFFFAOYSA-N 0 1 375.479 2.921 20 0 GFADMN CN(CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1nc2ccccc2o1 ZINC000821597783 607264883 /nfs/dbraw/zinc/26/48/83/607264883.db2.gz HCYSYRXOFDXSMW-UHFFFAOYSA-N 0 1 383.437 2.530 20 0 GFADMN CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735749520 599234545 /nfs/dbraw/zinc/23/45/45/599234545.db2.gz NCYBDHZGCHGWJU-KRWDZBQOSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735749520 599234547 /nfs/dbraw/zinc/23/45/47/599234547.db2.gz NCYBDHZGCHGWJU-KRWDZBQOSA-N 0 1 394.483 2.501 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000533202837 597077853 /nfs/dbraw/zinc/07/78/53/597077853.db2.gz PHNLFAXBLSEJOM-NVXWUHKLSA-N 0 1 390.480 2.554 20 0 GFADMN O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000819364729 597119271 /nfs/dbraw/zinc/11/92/71/597119271.db2.gz ADOLBVNRIZWQLQ-OAHLLOKOSA-N 0 1 377.510 2.954 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000737548222 599251932 /nfs/dbraw/zinc/25/19/32/599251932.db2.gz OPMDLGGHNZEDPU-HNNXBMFYSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000737548222 599251935 /nfs/dbraw/zinc/25/19/35/599251935.db2.gz OPMDLGGHNZEDPU-HNNXBMFYSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000737548222 599251936 /nfs/dbraw/zinc/25/19/36/599251936.db2.gz OPMDLGGHNZEDPU-HNNXBMFYSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000737548222 599251938 /nfs/dbraw/zinc/25/19/38/599251938.db2.gz OPMDLGGHNZEDPU-HNNXBMFYSA-N 0 1 397.483 2.505 20 0 GFADMN CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620836 598158717 /nfs/dbraw/zinc/15/87/17/598158717.db2.gz UZZQWHDEGLEQBB-UXHICEINSA-N 0 1 387.524 2.794 20 0 GFADMN CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)Cc1ccoc1 ZINC000736535025 598354544 /nfs/dbraw/zinc/35/45/44/598354544.db2.gz PPNOCJANBPUMQN-UHFFFAOYSA-N 0 1 386.481 2.861 20 0 GFADMN CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)Cc1ccoc1 ZINC000736535025 598354546 /nfs/dbraw/zinc/35/45/46/598354546.db2.gz PPNOCJANBPUMQN-UHFFFAOYSA-N 0 1 386.481 2.861 20 0 GFADMN Cc1csc(N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000737453286 598365082 /nfs/dbraw/zinc/36/50/82/598365082.db2.gz UIGIDTLVAMPETP-OAHLLOKOSA-N 0 1 399.524 2.611 20 0 GFADMN Clc1cccc(N2CCN(CCCNc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000737574494 598425971 /nfs/dbraw/zinc/42/59/71/598425971.db2.gz KWECRMQDXRLYHE-UHFFFAOYSA-N 0 1 398.902 2.539 20 0 GFADMN CC(C)c1cccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000735928333 598503339 /nfs/dbraw/zinc/50/33/39/598503339.db2.gz JBCPKBZIHHRRBI-UHFFFAOYSA-N 0 1 388.431 2.944 20 0 GFADMN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)c2)o1 ZINC000737446696 598557265 /nfs/dbraw/zinc/55/72/65/598557265.db2.gz STBQEWPDBKKIMU-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN CCN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000736510644 598557554 /nfs/dbraw/zinc/55/75/54/598557554.db2.gz DPQJEIHTTZCADB-OAHLLOKOSA-N 0 1 394.479 2.767 20 0 GFADMN O=S(=O)(Nc1ccc(Oc2ccccc2)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342132 598608280 /nfs/dbraw/zinc/60/82/80/598608280.db2.gz LWQLMBLOFMMSIC-UHFFFAOYSA-N 0 1 394.416 2.855 20 0 GFADMN COc1cccc(-c2nsc(NC(=O)c3sccc3-c3nn[nH]n3)n2)c1 ZINC000737120512 598609379 /nfs/dbraw/zinc/60/93/79/598609379.db2.gz CNCMOVZWYDHDIK-UHFFFAOYSA-N 0 1 385.434 2.708 20 0 GFADMN CCN(CC(=O)NCc1cccc(C)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736511540 598699884 /nfs/dbraw/zinc/69/98/84/598699884.db2.gz SFONFGRVZGVXNO-INIZCTEOSA-N 0 1 378.480 2.874 20 0 GFADMN Cn1c2ccc(Cl)cc2nc1Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737591612 598719958 /nfs/dbraw/zinc/71/99/58/598719958.db2.gz MLVKQSODSJMRGJ-UHFFFAOYSA-N 0 1 391.822 2.770 20 0 GFADMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737875806 599478339 /nfs/dbraw/zinc/47/83/39/599478339.db2.gz MWGOKTVTDMSIAV-CYBMUJFWSA-N 0 1 386.456 2.570 20 0 GFADMN Clc1ccc2ncc(-c3nn[nH]n3)c(NCCN3Cc4ccccc4C3)c2c1 ZINC000822582827 599501694 /nfs/dbraw/zinc/50/16/94/599501694.db2.gz XUCAAIYTOKFQIA-UHFFFAOYSA-N 0 1 391.866 2.918 20 0 GFADMN c1cc(-c2nnc(CN(C[C@H]3CCCO3)C3CCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823737428 599581253 /nfs/dbraw/zinc/58/12/53/599581253.db2.gz DNLXKWGVXBNOES-QGZVFWFLSA-N 0 1 395.467 2.840 20 0 GFADMN Cc1cc(CNCc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)[nH]n1 ZINC000737265751 599598577 /nfs/dbraw/zinc/59/85/77/599598577.db2.gz ZBQNCISPXBYIMU-UHFFFAOYSA-N 0 1 375.436 2.767 20 0 GFADMN Cc1ccc(C(C)(C)CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227417 599641675 /nfs/dbraw/zinc/64/16/75/599641675.db2.gz HRBUCDZNVBHFEX-GOSISDBHSA-N 0 1 378.480 2.611 20 0 GFADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000821413190 599682844 /nfs/dbraw/zinc/68/28/44/599682844.db2.gz XKPTUTPWFUEOEV-UHFFFAOYSA-N 0 1 392.423 2.772 20 0 GFADMN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000821612206 599696715 /nfs/dbraw/zinc/69/67/15/599696715.db2.gz MQROKQGKUUHTHN-HXUWFJFHSA-N 0 1 390.491 2.880 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000736212967 599711064 /nfs/dbraw/zinc/71/10/64/599711064.db2.gz BUIWOFLQMWLJLC-AXVVYFOYSA-N 0 1 387.524 2.727 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccsc1 ZINC000737358075 599725420 /nfs/dbraw/zinc/72/54/20/599725420.db2.gz HSCOMAYVCWKXOT-CYBMUJFWSA-N 0 1 388.898 2.681 20 0 GFADMN Cc1nn(-c2ccc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000738895178 599750260 /nfs/dbraw/zinc/75/02/60/599750260.db2.gz BSONADZQSSKHFV-AWEZNQCLSA-N 0 1 398.507 2.719 20 0 GFADMN C[NH+]1CCN([C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c2ccccc2)CC1 ZINC000737514824 599751952 /nfs/dbraw/zinc/75/19/52/599751952.db2.gz BOKQWYVXMXUTJA-GOSISDBHSA-N 0 1 387.867 2.965 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000737413341 599793067 /nfs/dbraw/zinc/79/30/67/599793067.db2.gz LXRXMIXNRHNZEQ-HNNXBMFYSA-N 0 1 378.469 2.952 20 0 GFADMN C[N@@H+](CCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C1CCCC1 ZINC000737442789 599834678 /nfs/dbraw/zinc/83/46/78/599834678.db2.gz KHYQFDGOWWTCRW-UHFFFAOYSA-N 0 1 384.480 2.808 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736931915 599841276 /nfs/dbraw/zinc/84/12/76/599841276.db2.gz KKMLWVCLJPGGNM-HNAYVOBHSA-N 0 1 393.871 2.784 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000571888988 599864370 /nfs/dbraw/zinc/86/43/70/599864370.db2.gz WVXNBZQZSNEVCD-AWEZNQCLSA-N 0 1 385.794 2.945 20 0 GFADMN CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000736514542 599875324 /nfs/dbraw/zinc/87/53/24/599875324.db2.gz VPYSUXZAJBMDRL-LJQANCHMSA-N 0 1 388.512 2.780 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCSCC(=O)[O-])C1 ZINC000736754732 599898976 /nfs/dbraw/zinc/89/89/76/599898976.db2.gz FHHVMBZYLDHRFW-IYBDPMFKSA-N 0 1 393.553 2.782 20 0 GFADMN CCOc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1OCC(=O)[O-] ZINC000737185543 599932324 /nfs/dbraw/zinc/93/23/24/599932324.db2.gz GFQXBNFCMFBVFS-OAHLLOKOSA-N 0 1 392.496 2.789 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccco1 ZINC000184952177 599935430 /nfs/dbraw/zinc/93/54/30/599935430.db2.gz DAHAGXVFRWAVJD-HNNXBMFYSA-N 0 1 380.466 2.648 20 0 GFADMN C[C@@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736594750 599941645 /nfs/dbraw/zinc/94/16/45/599941645.db2.gz CVBVBXMRZMPVCY-INIZCTEOSA-N 0 1 397.475 2.510 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000739416646 599941981 /nfs/dbraw/zinc/94/19/81/599941981.db2.gz KTPANYMOPBWPLD-UHFFFAOYSA-N 0 1 397.475 2.511 20 0 GFADMN CC(C)n1ccnc1CN1CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000736531821 599965241 /nfs/dbraw/zinc/96/52/41/599965241.db2.gz IWJQGULIJDWHCM-UHFFFAOYSA-N 0 1 386.496 2.749 20 0 GFADMN COc1cc(-c2noc(C[NH+]3CCC(C(=O)[O-])CC3)n2)ccc1OC(F)F ZINC000262669538 599966683 /nfs/dbraw/zinc/96/66/83/599966683.db2.gz QZAYTVMNJZJCBN-UHFFFAOYSA-N 0 1 383.351 2.643 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)nc(C)[nH+]1 ZINC000738406247 599981587 /nfs/dbraw/zinc/98/15/87/599981587.db2.gz DSQNWDCLRLBKDQ-MRXNPFEDSA-N 0 1 383.452 2.891 20 0 GFADMN C[NH+]1CCN([C@@H](CNC(=O)c2cccc(NC(=O)[O-])c2)c2cccs2)CC1 ZINC000737526882 599988261 /nfs/dbraw/zinc/98/82/61/599988261.db2.gz YJHFNJGXFSDSNF-INIZCTEOSA-N 0 1 388.493 2.557 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000737865760 600175593 /nfs/dbraw/zinc/17/55/93/600175593.db2.gz JVRSWIMWEXFUNP-JKSUJKDBSA-N 0 1 389.423 2.762 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000737684131 600215738 /nfs/dbraw/zinc/21/57/38/600215738.db2.gz JLHZHWLJWDOHQY-WBMJQRKESA-N 0 1 386.404 2.929 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000737684131 600215739 /nfs/dbraw/zinc/21/57/39/600215739.db2.gz JLHZHWLJWDOHQY-WBMJQRKESA-N 0 1 386.404 2.929 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000739285072 600215959 /nfs/dbraw/zinc/21/59/59/600215959.db2.gz BCPUGLGPURMRQM-MSOLQXFVSA-N 0 1 381.432 2.710 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000739285072 600215961 /nfs/dbraw/zinc/21/59/61/600215961.db2.gz BCPUGLGPURMRQM-MSOLQXFVSA-N 0 1 381.432 2.710 20 0 GFADMN O=C([O-])CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000116355673 600224740 /nfs/dbraw/zinc/22/47/40/600224740.db2.gz BLDBXVSVYRCDRN-HXUWFJFHSA-N 0 1 384.451 2.776 20 0 GFADMN O=C([O-])c1cccc(CS(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000740227596 600226985 /nfs/dbraw/zinc/22/69/85/600226985.db2.gz QDCKTTYRIBGUCU-UHFFFAOYSA-N 0 1 394.537 2.803 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)CC2 ZINC000739277418 600291795 /nfs/dbraw/zinc/29/17/95/600291795.db2.gz AHSSBTXPBGHVTD-NVXWUHKLSA-N 0 1 385.489 2.535 20 0 GFADMN CC[C@]([NH2+]CC(=O)N[C@H](C)Cc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000736919437 600305945 /nfs/dbraw/zinc/30/59/45/600305945.db2.gz ZAFOZLDWGMGHMK-SPLOXXLWSA-N 0 1 390.430 2.992 20 0 GFADMN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000736822146 600323802 /nfs/dbraw/zinc/32/38/02/600323802.db2.gz PSWVBSYHNXFLEX-CHWSQXEVSA-N 0 1 394.518 2.847 20 0 GFADMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000736822146 600323805 /nfs/dbraw/zinc/32/38/05/600323805.db2.gz PSWVBSYHNXFLEX-CHWSQXEVSA-N 0 1 394.518 2.847 20 0 GFADMN CN(Cc1ccccc1)C(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737486345 600328577 /nfs/dbraw/zinc/32/85/77/600328577.db2.gz IEPROXNJHZJGQV-UHFFFAOYSA-N 0 1 376.403 2.900 20 0 GFADMN CN(Cc1ccccc1)C(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737486345 600328581 /nfs/dbraw/zinc/32/85/81/600328581.db2.gz IEPROXNJHZJGQV-UHFFFAOYSA-N 0 1 376.403 2.900 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739719602 600328987 /nfs/dbraw/zinc/32/89/87/600328987.db2.gz ZXHRTSNQJNVMHE-UHFFFAOYSA-N 0 1 391.374 2.590 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739719602 600328990 /nfs/dbraw/zinc/32/89/90/600328990.db2.gz ZXHRTSNQJNVMHE-UHFFFAOYSA-N 0 1 391.374 2.590 20 0 GFADMN O=C([O-])NCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739984570 600332835 /nfs/dbraw/zinc/33/28/35/600332835.db2.gz HJDUCOTUBDAWGC-LJQANCHMSA-N 0 1 383.448 2.591 20 0 GFADMN O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)CC2 ZINC000739524264 600338066 /nfs/dbraw/zinc/33/80/66/600338066.db2.gz AWJGDDKQDLKFTN-INIZCTEOSA-N 0 1 389.521 2.954 20 0 GFADMN O=C([O-])c1cc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC000739449829 600385514 /nfs/dbraw/zinc/38/55/14/600385514.db2.gz ZBTCZVSYCVEKAR-UHFFFAOYSA-N 0 1 387.411 2.678 20 0 GFADMN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000736297553 600418272 /nfs/dbraw/zinc/41/82/72/600418272.db2.gz IOHZHIPFODIUKQ-LHSJRXKWSA-N 0 1 387.480 2.505 20 0 GFADMN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000736297553 600418273 /nfs/dbraw/zinc/41/82/73/600418273.db2.gz IOHZHIPFODIUKQ-LHSJRXKWSA-N 0 1 387.480 2.505 20 0 GFADMN C[C@H](c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000736716452 600464272 /nfs/dbraw/zinc/46/42/72/600464272.db2.gz HHBRWAYTHNHAEP-MXWWQKGMSA-N 0 1 375.469 2.845 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812870 600479010 /nfs/dbraw/zinc/47/90/10/600479010.db2.gz XFWYTYQCCLSCEA-DAYGRLMNSA-N 0 1 390.484 2.906 20 0 GFADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736812870 600479011 /nfs/dbraw/zinc/47/90/11/600479011.db2.gz XFWYTYQCCLSCEA-DAYGRLMNSA-N 0 1 390.484 2.906 20 0 GFADMN CC(C)Oc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1-c1nn[nH]n1 ZINC000820170252 607447762 /nfs/dbraw/zinc/44/77/62/607447762.db2.gz VWTIUYORAGBNGY-UHFFFAOYSA-N 0 1 381.371 2.922 20 0 GFADMN CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1nc(CC(=O)[O-])cs1 ZINC000737313593 600495904 /nfs/dbraw/zinc/49/59/04/600495904.db2.gz LHJJFAVFBJVAGS-AWEZNQCLSA-N 0 1 391.468 2.784 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000736639952 600515784 /nfs/dbraw/zinc/51/57/84/600515784.db2.gz HTTBUBWUOXDPAR-OXJNMPFZSA-N 0 1 388.508 2.698 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+]3CCC[C@H]3CC(C)C)n2C)c(C)c1CCC(=O)[O-] ZINC000738871914 600553022 /nfs/dbraw/zinc/55/30/22/600553022.db2.gz KZOBYYWZOOMGJX-INIZCTEOSA-N 0 1 388.512 2.837 20 0 GFADMN COc1ccc([C@@H]2[C@@H](COC(=O)[C@H](NC(=O)[O-])C(C)C)CCC[N@H+]2C)cc1 ZINC000737980630 600572144 /nfs/dbraw/zinc/57/21/44/600572144.db2.gz JEHOASLZZCZKJJ-KBAYOESNSA-N 0 1 378.469 2.914 20 0 GFADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccccc3NC(=O)[O-])c2)CCO1 ZINC000736815508 600573993 /nfs/dbraw/zinc/57/39/93/600573993.db2.gz RVCRLWPTWJNLDY-HNNXBMFYSA-N 0 1 383.448 2.927 20 0 GFADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccccc3NC(=O)[O-])c2)CCO1 ZINC000736815508 600573994 /nfs/dbraw/zinc/57/39/94/600573994.db2.gz RVCRLWPTWJNLDY-HNNXBMFYSA-N 0 1 383.448 2.927 20 0 GFADMN C[C@H](CSCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(=O)[O-] ZINC000736615610 600599175 /nfs/dbraw/zinc/59/91/75/600599175.db2.gz HDJKMHGUIAIGAB-MRXNPFEDSA-N 0 1 386.517 2.938 20 0 GFADMN Cc1ccc(N2CCC[N@@H+](CCOc3ccc(C(=O)[O-])cc3Cl)CC2)nn1 ZINC000738616252 600675007 /nfs/dbraw/zinc/67/50/07/600675007.db2.gz QHJDXHHCPOOVRC-UHFFFAOYSA-N 0 1 390.871 2.728 20 0 GFADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000737574411 600711810 /nfs/dbraw/zinc/71/18/10/600711810.db2.gz DGHJGVYJRDJNQH-RABCQHRBSA-N 0 1 392.540 2.900 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000826930055 600735634 /nfs/dbraw/zinc/73/56/34/600735634.db2.gz COSJHNDVZNUCEB-UHFFFAOYSA-N 0 1 388.917 2.779 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000830327854 600753455 /nfs/dbraw/zinc/75/34/55/600753455.db2.gz JDGHQVTZPAZDFO-CQSZACIVSA-N 0 1 397.884 2.823 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2noc(C3CCCCC3)n2)c2ccccc12 ZINC000823657984 607467100 /nfs/dbraw/zinc/46/71/00/607467100.db2.gz XSYBYFBNFFUDBK-UHFFFAOYSA-N 0 1 377.408 2.661 20 0 GFADMN C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582471 600770446 /nfs/dbraw/zinc/77/04/46/600770446.db2.gz IAXFMCLZNPUQGL-WIYYLYMNSA-N 0 1 396.487 2.637 20 0 GFADMN C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582471 600770447 /nfs/dbraw/zinc/77/04/47/600770447.db2.gz IAXFMCLZNPUQGL-WIYYLYMNSA-N 0 1 396.487 2.637 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000184954819 600773387 /nfs/dbraw/zinc/77/33/87/600773387.db2.gz OOYPDVATSXKODG-UHFFFAOYSA-N 0 1 376.478 2.623 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832902019 600786459 /nfs/dbraw/zinc/78/64/59/600786459.db2.gz VACXBKKRQPYSFF-QGZVFWFLSA-N 0 1 388.489 2.588 20 0 GFADMN CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000829160721 600787735 /nfs/dbraw/zinc/78/77/35/600787735.db2.gz JQAGFWQXJGGIIJ-KGLIPLIRSA-N 0 1 386.901 2.676 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000829160721 600787738 /nfs/dbraw/zinc/78/77/38/600787738.db2.gz JQAGFWQXJGGIIJ-KGLIPLIRSA-N 0 1 386.901 2.676 20 0 GFADMN Cc1cccc(C[NH+]2CCN([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)CC2)c1 ZINC000832966977 600793390 /nfs/dbraw/zinc/79/33/90/600793390.db2.gz JCSODJOGBZZLIA-SFHVURJKSA-N 0 1 399.516 2.678 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000833355051 600822917 /nfs/dbraw/zinc/82/29/17/600822917.db2.gz REJOPLFLNCZURL-QGZVFWFLSA-N 0 1 388.851 2.980 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC000833321254 600829458 /nfs/dbraw/zinc/82/94/58/600829458.db2.gz PDAHKAZZONCTKZ-HNNXBMFYSA-N 0 1 380.872 2.751 20 0 GFADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000828201044 600835557 /nfs/dbraw/zinc/83/55/57/600835557.db2.gz NVKBVYCKHMQHHP-VVVONTASSA-N 0 1 383.492 2.933 20 0 GFADMN CN(C(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830479033 600839372 /nfs/dbraw/zinc/83/93/72/600839372.db2.gz ZGDAGXDGBDXOFG-GOSISDBHSA-N 0 1 382.460 2.886 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000829873069 600843867 /nfs/dbraw/zinc/84/38/67/600843867.db2.gz KMZITTZXGIZDAK-NEPJUHHUSA-N 0 1 382.482 2.611 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000829873069 600843868 /nfs/dbraw/zinc/84/38/68/600843868.db2.gz KMZITTZXGIZDAK-NEPJUHHUSA-N 0 1 382.482 2.611 20 0 GFADMN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC000737641589 600852625 /nfs/dbraw/zinc/85/26/25/600852625.db2.gz YOYZMBZYFCLSPY-GFCCVEGCSA-N 0 1 395.525 2.529 20 0 GFADMN C[C@@H]1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c2ccccc2S1 ZINC000577609685 600859649 /nfs/dbraw/zinc/85/96/49/600859649.db2.gz HYHVGHOBHSEMFR-OAHLLOKOSA-N 0 1 392.521 2.860 20 0 GFADMN CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000388609548 600865695 /nfs/dbraw/zinc/86/56/95/600865695.db2.gz LUPJWTQCVWIYNN-GOSISDBHSA-N 0 1 388.489 2.670 20 0 GFADMN CN(C(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000564209649 600870894 /nfs/dbraw/zinc/87/08/94/600870894.db2.gz BCOBNDLLUMSQMO-LJQANCHMSA-N 0 1 395.459 2.803 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000383154373 600987580 /nfs/dbraw/zinc/98/75/80/600987580.db2.gz LFMZWPBSSUYTPK-OAHLLOKOSA-N 0 1 394.518 2.589 20 0 GFADMN C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC[N@@H+]1Cc1ccccc1 ZINC000382593679 600990922 /nfs/dbraw/zinc/99/09/22/600990922.db2.gz IKXNLOKDHMIQAV-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC[N@H+]1Cc1ccccc1 ZINC000382593679 600990924 /nfs/dbraw/zinc/99/09/24/600990924.db2.gz IKXNLOKDHMIQAV-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN CN(CCCN1CC[NH+](C)CC1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000830954942 601013985 /nfs/dbraw/zinc/01/39/85/601013985.db2.gz SLXNLMYUWMPGNX-UHFFFAOYSA-N 0 1 388.537 2.578 20 0 GFADMN CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCN2C(=O)CS/C2=C\C(=O)[O-])c1 ZINC000830643807 601014111 /nfs/dbraw/zinc/01/41/11/601014111.db2.gz MHMUOUAMAKNOJT-NFBGKYEXSA-N 0 1 389.521 2.781 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC000831476226 601017655 /nfs/dbraw/zinc/01/76/55/601017655.db2.gz TYXYNPQURVBLRA-VXGBXAGGSA-N 0 1 380.466 2.744 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)c(C(=O)[O-])c1C ZINC000831476226 601017657 /nfs/dbraw/zinc/01/76/57/601017657.db2.gz TYXYNPQURVBLRA-VXGBXAGGSA-N 0 1 380.466 2.744 20 0 GFADMN C[C@@]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)(C(=O)[O-])C1CC1 ZINC000827728300 601032435 /nfs/dbraw/zinc/03/24/35/601032435.db2.gz QVHWWFMGIQRIKS-LIRRHRJNSA-N 0 1 387.461 2.862 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000825978173 601035065 /nfs/dbraw/zinc/03/50/65/601035065.db2.gz ZBZFBUYJPUXVMH-HZPDHXFCSA-N 0 1 376.522 2.812 20 0 GFADMN CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000829776392 601087963 /nfs/dbraw/zinc/08/79/63/601087963.db2.gz NPRKJRUOEPJKOP-UHFFFAOYSA-N 0 1 390.528 2.588 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000740281136 601117280 /nfs/dbraw/zinc/11/72/80/601117280.db2.gz QGXGBMYPPBFNSI-CYBMUJFWSA-N 0 1 384.461 2.702 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000740281136 601117282 /nfs/dbraw/zinc/11/72/82/601117282.db2.gz 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Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@H](CN(C)C(=O)[O-])C3)c2C)no1 ZINC000740054267 602380123 /nfs/dbraw/zinc/38/01/23/602380123.db2.gz KAZAWLAZMZMQEG-MRXNPFEDSA-N 0 1 388.468 2.895 20 0 GFADMN Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@H](CN(C)C(=O)[O-])C3)c2C)no1 ZINC000740054267 602380124 /nfs/dbraw/zinc/38/01/24/602380124.db2.gz KAZAWLAZMZMQEG-MRXNPFEDSA-N 0 1 388.468 2.895 20 0 GFADMN CN(CC1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1)C(=O)[O-] ZINC000739661883 602382859 /nfs/dbraw/zinc/38/28/59/602382859.db2.gz ULXGRFAGPHFELV-UHFFFAOYSA-N 0 1 388.512 2.937 20 0 GFADMN CCN(C(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1)c1nc2ccccc2s1 ZINC000739380379 602385138 /nfs/dbraw/zinc/38/51/38/602385138.db2.gz JFPUVBMCBDPLPH-UHFFFAOYSA-N 0 1 390.509 2.971 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000740594150 602435165 /nfs/dbraw/zinc/43/51/65/602435165.db2.gz NNBBFXDFTWRHFZ-MRXNPFEDSA-N 0 1 381.432 2.588 20 0 GFADMN CN(C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1)C(=O)[O-] ZINC000739661657 602532933 /nfs/dbraw/zinc/53/29/33/602532933.db2.gz SHMPKQAHQCRHCM-NEPJUHHUSA-N 0 1 377.268 2.665 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H](CN(C)C(=O)[O-])C3)ccc2c1 ZINC000739937173 602536757 /nfs/dbraw/zinc/53/67/57/602536757.db2.gz KZDSFSAWFVGZHO-KRWDZBQOSA-N 0 1 399.491 2.739 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739061032 602569759 /nfs/dbraw/zinc/56/97/59/602569759.db2.gz WYAXKJVHPRSRIZ-FFZOFVMBSA-N 0 1 381.476 2.817 20 0 GFADMN C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000739079128 602615101 /nfs/dbraw/zinc/61/51/01/602615101.db2.gz KBPDANTZIBIYPJ-BBWFWOEESA-N 0 1 390.528 2.962 20 0 GFADMN O=C([O-])N1CCC[C@H](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740425648 602642689 /nfs/dbraw/zinc/64/26/89/602642689.db2.gz UDUJWGHZLKLEDZ-AEFFLSMTSA-N 0 1 391.487 2.934 20 0 GFADMN C[C@@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)[N@H+]1CCCC[C@H]1C ZINC000739103928 602696622 /nfs/dbraw/zinc/69/66/22/602696622.db2.gz HTXDKICGSZIMOJ-CVEARBPZSA-N 0 1 376.501 2.796 20 0 GFADMN O=C([O-])N1CCC[C@H](C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000740511905 602703997 /nfs/dbraw/zinc/70/39/97/602703997.db2.gz LRTLNLBQTFSIIZ-OAHLLOKOSA-N 0 1 379.888 2.878 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739384331 602709724 /nfs/dbraw/zinc/70/97/24/602709724.db2.gz DUALXCBHADNMEI-OAHLLOKOSA-N 0 1 376.501 2.716 20 0 GFADMN O=C([O-])NCc1nc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000740684672 602710159 /nfs/dbraw/zinc/71/01/59/602710159.db2.gz QHVZAESTNKTBMV-OAHLLOKOSA-N 0 1 388.493 2.553 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C2CC2)CC1 ZINC000740365335 602718793 /nfs/dbraw/zinc/71/87/93/602718793.db2.gz IIMJZZJEYSCQOY-UHFFFAOYSA-N 0 1 392.456 2.981 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@H]1NC(=O)[O-] ZINC000739182278 602777207 /nfs/dbraw/zinc/77/72/07/602777207.db2.gz WLVZBESVWTYBBR-UKRRQHHQSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@H]1NC(=O)[O-] ZINC000739182278 602777210 /nfs/dbraw/zinc/77/72/10/602777210.db2.gz WLVZBESVWTYBBR-UKRRQHHQSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739185998 602838602 /nfs/dbraw/zinc/83/86/02/602838602.db2.gz CKGNHWDMDHEULL-IPJUCJBFSA-N 0 1 388.512 2.871 20 0 GFADMN C[C@H]1C[NH+](Cc2cccc(NC(=O)C3CCN(C(=O)[O-])CC3)c2)C[C@H](C)O1 ZINC000737762202 602840120 /nfs/dbraw/zinc/84/01/20/602840120.db2.gz DOIAMLSQRDFTNH-GJZGRUSLSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000739190591 602841120 /nfs/dbraw/zinc/84/11/20/602841120.db2.gz ONGWLLUAVPCWJN-DAYGRLMNSA-N 0 1 375.469 2.767 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000739190591 602841123 /nfs/dbraw/zinc/84/11/23/602841123.db2.gz ONGWLLUAVPCWJN-DAYGRLMNSA-N 0 1 375.469 2.767 20 0 GFADMN O=C([O-])NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634944 602863790 /nfs/dbraw/zinc/86/37/90/602863790.db2.gz TXMKZKBENDBMCQ-DOMZBBRYSA-N 0 1 385.386 2.790 20 0 GFADMN O=C([O-])NC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000740634944 602863794 /nfs/dbraw/zinc/86/37/94/602863794.db2.gz TXMKZKBENDBMCQ-DOMZBBRYSA-N 0 1 385.386 2.790 20 0 GFADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739180872 602901112 /nfs/dbraw/zinc/90/11/12/602901112.db2.gz QANLVWOXESNWKX-RKVPGOIHSA-N 0 1 390.484 2.560 20 0 GFADMN CCN(CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000739425236 602912597 /nfs/dbraw/zinc/91/25/97/602912597.db2.gz MYBJLNIMLXMLBU-AEFFLSMTSA-N 0 1 376.501 2.681 20 0 GFADMN O=C([O-])NC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000832408950 602942751 /nfs/dbraw/zinc/94/27/51/602942751.db2.gz VZTHROZERAEZHR-UXHICEINSA-N 0 1 381.476 2.819 20 0 GFADMN CN(Cc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1)C(=O)[O-] ZINC000739706628 602991145 /nfs/dbraw/zinc/99/11/45/602991145.db2.gz CPAGDQSYEWWCFI-LJQANCHMSA-N 0 1 383.448 2.636 20 0 GFADMN CN(Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1)C(=O)[O-] ZINC000739706628 602991150 /nfs/dbraw/zinc/99/11/50/602991150.db2.gz CPAGDQSYEWWCFI-LJQANCHMSA-N 0 1 383.448 2.636 20 0 GFADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@H]1C ZINC000739489528 602997304 /nfs/dbraw/zinc/99/73/04/602997304.db2.gz RXDWEMSJMDCFRR-OAHLLOKOSA-N 0 1 390.484 2.692 20 0 GFADMN CCOCC[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@H]1C ZINC000739489528 602997309 /nfs/dbraw/zinc/99/73/09/602997309.db2.gz RXDWEMSJMDCFRR-OAHLLOKOSA-N 0 1 390.484 2.692 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000740573300 603017088 /nfs/dbraw/zinc/01/70/88/603017088.db2.gz IDVDTQHSAKTFPH-DLBZAZTESA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000740573300 603017090 /nfs/dbraw/zinc/01/70/90/603017090.db2.gz IDVDTQHSAKTFPH-DLBZAZTESA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000740573304 603017759 /nfs/dbraw/zinc/01/77/59/603017759.db2.gz IDVDTQHSAKTFPH-IRXDYDNUSA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000740573304 603017762 /nfs/dbraw/zinc/01/77/62/603017762.db2.gz IDVDTQHSAKTFPH-IRXDYDNUSA-N 0 1 379.888 2.811 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000739170623 603033861 /nfs/dbraw/zinc/03/38/61/603033861.db2.gz AXNVIUCNCCZFJX-RYUDHWBXSA-N 0 1 382.436 2.925 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN(C(=O)[O-])C2CC2)C1 ZINC000739098910 603041853 /nfs/dbraw/zinc/04/18/53/603041853.db2.gz AEYAOLKRASMVFW-SJORKVTESA-N 0 1 380.533 2.815 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000739056369 603170796 /nfs/dbraw/zinc/17/07/96/603170796.db2.gz DQNZEOJXWWOWRB-OXQOHEQNSA-N 0 1 393.487 2.743 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000739681498 603256552 /nfs/dbraw/zinc/25/65/52/603256552.db2.gz FMINGBGLSYXFNP-UHFFFAOYSA-N 0 1 377.441 2.646 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000739681498 603256554 /nfs/dbraw/zinc/25/65/54/603256554.db2.gz FMINGBGLSYXFNP-UHFFFAOYSA-N 0 1 377.441 2.646 20 0 GFADMN O=C([O-])NC[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000832403496 603265469 /nfs/dbraw/zinc/26/54/69/603265469.db2.gz RWPYMARTMTULPT-FQEVSTJZSA-N 0 1 381.476 2.772 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000739011005 603273296 /nfs/dbraw/zinc/27/32/96/603273296.db2.gz YUMGXTWAYPBYMM-APWZRJJASA-N 0 1 388.512 2.729 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000739640958 603308662 /nfs/dbraw/zinc/30/86/62/603308662.db2.gz IAPPHHVZTRUCNC-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000824906077 603311633 /nfs/dbraw/zinc/31/16/33/603311633.db2.gz BDOYYBRAWWIAJK-WMLDXEAASA-N 0 1 387.505 2.662 20 0 GFADMN C[C@@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000824906077 603311638 /nfs/dbraw/zinc/31/16/38/603311638.db2.gz BDOYYBRAWWIAJK-WMLDXEAASA-N 0 1 387.505 2.662 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739175207 603414753 /nfs/dbraw/zinc/41/47/53/603414753.db2.gz QXDRPDYSHANKMZ-ABAIWWIYSA-N 0 1 388.295 2.930 20 0 GFADMN CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1nc2ccccc2s1 ZINC000739380514 603416241 /nfs/dbraw/zinc/41/62/41/603416241.db2.gz LQPNNUSOSMNMCA-STQMWFEESA-N 0 1 376.482 2.627 20 0 GFADMN CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1)c1nc2ccccc2s1 ZINC000739380514 603416242 /nfs/dbraw/zinc/41/62/42/603416242.db2.gz LQPNNUSOSMNMCA-STQMWFEESA-N 0 1 376.482 2.627 20 0 GFADMN C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823677461 603450404 /nfs/dbraw/zinc/45/04/04/603450404.db2.gz LNGKMQWLZHYJTC-AWEZNQCLSA-N 0 1 388.468 2.578 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244901 603485766 /nfs/dbraw/zinc/48/57/66/603485766.db2.gz ARLGRWFSVZKDSR-WMZOPIPTSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244901 603485769 /nfs/dbraw/zinc/48/57/69/603485769.db2.gz ARLGRWFSVZKDSR-WMZOPIPTSA-N 0 1 377.460 2.639 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)N2CCC(CNC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794352 603486787 /nfs/dbraw/zinc/48/67/87/603486787.db2.gz JNCVKEOZNQNJSP-LPHOPBHVSA-N 0 1 388.512 2.729 20 0 GFADMN CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C1 ZINC000827214135 603530073 /nfs/dbraw/zinc/53/00/73/603530073.db2.gz ADFAMYACUDZFMQ-INIZCTEOSA-N 0 1 386.496 2.761 20 0 GFADMN CCN(CC1CC[NH+](CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1)C(=O)[O-] ZINC000827099597 603601168 /nfs/dbraw/zinc/60/11/68/603601168.db2.gz QQVLJFPVZDXCKI-KRWDZBQOSA-N 0 1 377.460 2.811 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)C3(CNC(=O)[O-])CCCC3)CC2)cc1 ZINC000829363169 603623946 /nfs/dbraw/zinc/62/39/46/603623946.db2.gz SGUFPWRXCGWMJF-UHFFFAOYSA-N 0 1 389.496 2.558 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000825637417 603716328 /nfs/dbraw/zinc/71/63/28/603716328.db2.gz CWXPHZJXTMGMJA-ZUWIJXEISA-N 0 1 386.496 2.795 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000827099050 603778530 /nfs/dbraw/zinc/77/85/30/603778530.db2.gz KEOVJULALNBVQX-RTBURBONSA-N 0 1 388.512 2.682 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)[C@H]1c1cccs1 ZINC000828470606 603798252 /nfs/dbraw/zinc/79/82/52/603798252.db2.gz DYSDYQALXGVKAH-FMKPAKJESA-N 0 1 380.514 2.573 20 0 GFADMN C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000824923227 603835202 /nfs/dbraw/zinc/83/52/02/603835202.db2.gz XABAFEPVJAAQMQ-SYKANANRSA-N 0 1 385.508 2.861 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@H+](C)CC[C@@H](NC(=O)[O-])C(C)C)cc(=O)oc2c1 ZINC000823611723 603851132 /nfs/dbraw/zinc/85/11/32/603851132.db2.gz UGNVDHNOWDRBCG-QGZVFWFLSA-N 0 1 389.452 2.866 20 0 GFADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)C1 ZINC000828169221 603880430 /nfs/dbraw/zinc/88/04/30/603880430.db2.gz NTKQRRPOQCDXOU-PBHICJAKSA-N 0 1 379.888 2.839 20 0 GFADMN COc1ccccc1[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)NC(=O)[O-] ZINC000829597320 604021609 /nfs/dbraw/zinc/02/16/09/604021609.db2.gz HFKSEWNPFJYAIZ-WBVHZDCISA-N 0 1 392.500 2.520 20 0 GFADMN C[C@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000826059530 604036388 /nfs/dbraw/zinc/03/63/88/604036388.db2.gz WPKFEKPHGGXNFO-FIRPJDEBSA-N 0 1 384.476 2.688 20 0 GFADMN 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ZINC000826189525 608429364 /nfs/dbraw/zinc/42/93/64/608429364.db2.gz XOCYLBQZYJSALA-JTQLQIEISA-N 0 1 389.257 2.884 20 0 GFADMN COc1ccc([C@H](C)[NH2+]Cc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC000826189525 608429365 /nfs/dbraw/zinc/42/93/65/608429365.db2.gz XOCYLBQZYJSALA-JTQLQIEISA-N 0 1 389.257 2.884 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN[C@H](C)c1c(F)cccc1F ZINC000826176616 608433848 /nfs/dbraw/zinc/43/38/48/608433848.db2.gz WPAIMABUSZKSPK-LLVKDONJSA-N 0 1 375.379 2.883 20 0 GFADMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824332933 608452420 /nfs/dbraw/zinc/45/24/20/608452420.db2.gz AZDOTKJQIAEOFO-OAHLLOKOSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@@H](NCC(=O)NCCCSc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562324 608460977 /nfs/dbraw/zinc/46/09/77/608460977.db2.gz FMBZXZZGWYMJCN-OAHLLOKOSA-N 0 1 396.520 2.816 20 0 GFADMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826209837 608461365 /nfs/dbraw/zinc/46/13/65/608461365.db2.gz SSKLNPFFWVZRCD-NSHDSACASA-N 0 1 386.843 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Cn1cc(CNCc2ccc(Cl)nc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361812 609337707 /nfs/dbraw/zinc/33/77/07/609337707.db2.gz QEQGMFYKYBWYKL-UHFFFAOYSA-N 0 1 380.843 2.605 20 0 GFADMN O=C1[C@H](NCc2ccc(Cl)s2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477012 609413524 /nfs/dbraw/zinc/41/35/24/609413524.db2.gz UFGMCTCDEKLGRK-CQSZACIVSA-N 0 1 388.884 2.867 20 0 GFADMN CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000824314500 609468436 /nfs/dbraw/zinc/46/84/36/609468436.db2.gz BZUVRTOLKOBEOD-UHFFFAOYSA-N 0 1 395.391 2.733 20 0 GFADMN O=C([C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2)N1CCCCC1 ZINC000826398300 609495621 /nfs/dbraw/zinc/49/56/21/609495621.db2.gz UGJFCPKJGDENIR-OAHLLOKOSA-N 0 1 386.525 2.543 20 0 GFADMN c1cc(-c2nn[nH]n2)ccc1CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000826513916 609524832 /nfs/dbraw/zinc/52/48/32/609524832.db2.gz AOTNPENIKKZBCL-UHFFFAOYSA-N 0 1 393.432 2.715 20 0 GFADMN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000817645261 660204096 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660293841 /nfs/dbraw/zinc/29/38/41/660293841.db2.gz VKVPKCKXFYMTIU-UHFFFAOYSA-N 0 1 380.221 2.653 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)N(C)c2nnc(-c3ccccc3)[nH]2)c1 ZINC000820800611 660307012 /nfs/dbraw/zinc/30/70/12/660307012.db2.gz WZSMBJFZPZYKKV-UHFFFAOYSA-N 0 1 378.841 2.959 20 0 GFADMN CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000821128108 660316943 /nfs/dbraw/zinc/31/69/43/660316943.db2.gz RXVWDSXNUDHFNC-UHFFFAOYSA-N 0 1 387.866 2.747 20 0 GFADMN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC000821173159 660317818 /nfs/dbraw/zinc/31/78/18/660317818.db2.gz MMTODJZPARBQGF-AWEZNQCLSA-N 0 1 388.511 2.934 20 0 GFADMN CO[C@H](C)c1noc(CN2CCCN(CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667992 660351462 /nfs/dbraw/zinc/35/14/62/660351462.db2.gz DSFZBXNVKPCATD-OLZOCXBDSA-N 0 1 377.316 2.869 20 0 GFADMN CN(CCCN(C)C(=O)c1cc(N)nc(Br)c1)Cc1ccco1 ZINC000822908044 660357576 /nfs/dbraw/zinc/35/75/76/660357576.db2.gz JIRGBJGDGKFJKC-UHFFFAOYSA-N 0 1 381.274 2.613 20 0 GFADMN O=C(CSC(F)F)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000823003859 660359643 /nfs/dbraw/zinc/35/96/43/660359643.db2.gz KJEILZDPAFZJBN-UHFFFAOYSA-N 0 1 377.214 2.806 20 0 GFADMN O=C(CSC(F)F)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000823003859 660359644 /nfs/dbraw/zinc/35/96/44/660359644.db2.gz KJEILZDPAFZJBN-UHFFFAOYSA-N 0 1 377.214 2.806 20 0 GFADMN Cc1nc(Cl)ccc1NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000823074115 660361137 /nfs/dbraw/zinc/36/11/37/660361137.db2.gz VNTZSVTWFAXGLB-KCJUWKMLSA-N 0 1 378.782 2.964 20 0 GFADMN C[C@@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccc(I)cc1 ZINC000823188881 660364354 /nfs/dbraw/zinc/36/43/54/660364354.db2.gz MZDFNHCCUIVDBR-ZYHUDNBSSA-N 0 1 396.232 2.529 20 0 GFADMN O=S(=O)(c1ccc(OCCNCc2ccncc2F)cc1)C(F)(F)F ZINC000824032471 660384306 /nfs/dbraw/zinc/38/43/06/660384306.db2.gz QVKJWGYDKLBPER-UHFFFAOYSA-N 0 1 378.347 2.683 20 0 GFADMN CCc1ccc(Br)cc1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000824258117 660388202 /nfs/dbraw/zinc/38/82/02/660388202.db2.gz 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GFADMN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000249449150 553143434 /nfs/dbraw/zinc/14/34/34/553143434.db2.gz FXLILMUXBUMBAB-GUYCJALGSA-N 0 1 381.523 2.513 20 0 GFADMN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000252444726 553149842 /nfs/dbraw/zinc/14/98/42/553149842.db2.gz ZTHBEHVEDDKJBZ-CXAGYDPISA-N 0 1 389.297 2.880 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(I)s1 ZINC000261598642 553154114 /nfs/dbraw/zinc/15/41/14/553154114.db2.gz PENVJAKOCKFXFX-BBBLOLIVSA-N 0 1 392.262 2.965 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(I)s1 ZINC000261598642 553154115 /nfs/dbraw/zinc/15/41/15/553154115.db2.gz PENVJAKOCKFXFX-BBBLOLIVSA-N 0 1 392.262 2.965 20 0 GFADMN C[C@@H](COCC(F)(F)F)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261808217 553159650 /nfs/dbraw/zinc/15/96/50/553159650.db2.gz RQWBZUNGCDJCCP-TVQRCGJNSA-N 0 1 383.208 2.707 20 0 GFADMN Nc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000261884144 553161631 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O=c1[n-]nc([C@@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)o1 ZINC000450899761 564253779 /nfs/dbraw/zinc/25/37/79/564253779.db2.gz XHNKPJATOFYIHZ-LLVKDONJSA-N 0 1 385.205 2.759 20 0 GFADMN O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)o1 ZINC000450899761 564253784 /nfs/dbraw/zinc/25/37/84/564253784.db2.gz XHNKPJATOFYIHZ-LLVKDONJSA-N 0 1 385.205 2.759 20 0 GFADMN Ic1ccc(-c2noc([C@H]3C[C@H]3c3nc[nH]n3)n2)cc1 ZINC000377517893 563477448 /nfs/dbraw/zinc/47/74/48/563477448.db2.gz UWNVYRIDONBKCG-ZJUUUORDSA-N 0 1 379.161 2.730 20 0 GFADMN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465855 563214805 /nfs/dbraw/zinc/21/48/05/563214805.db2.gz FSOHTINXUFDKHI-AEFFLSMTSA-N 0 1 379.913 2.772 20 0 GFADMN CN1CCC2(CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)C1=O ZINC000369670102 563221185 /nfs/dbraw/zinc/22/11/85/563221185.db2.gz JBHUAPGOYPWRMR-UHFFFAOYSA-N 0 1 378.885 2.876 20 0 GFADMN Cn1cc(C[C@H]2CCN(C(=O)c3[nH]nc4ccc(Br)cc43)C2)cn1 ZINC000369994732 563230384 /nfs/dbraw/zinc/23/03/84/563230384.db2.gz 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563238208 /nfs/dbraw/zinc/23/82/08/563238208.db2.gz JTDKNKMQOUZXKK-UHFFFAOYSA-N 0 1 393.694 2.823 20 0 GFADMN COCCCCN(C)CC(=O)Nc1cccc(I)c1 ZINC000419383976 563239273 /nfs/dbraw/zinc/23/92/73/563239273.db2.gz LUPLQXKVLDQKPR-UHFFFAOYSA-N 0 1 376.238 2.588 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[C@H](C)CN1CCO ZINC000419412843 563240240 /nfs/dbraw/zinc/24/02/40/563240240.db2.gz ROSQCVJECZHZEZ-IOASZLSFSA-N 0 1 383.945 2.973 20 0 GFADMN CCN(CC)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)c1ccco1 ZINC000278125149 563241827 /nfs/dbraw/zinc/24/18/27/563241827.db2.gz MDFVVXWTEFFCRB-CYBMUJFWSA-N 0 1 396.285 2.885 20 0 GFADMN CC(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2Br)n[nH]1 ZINC000295326835 563242559 /nfs/dbraw/zinc/24/25/59/563242559.db2.gz PZGNZSMLNWMWOP-UHFFFAOYSA-N 0 1 393.694 2.823 20 0 GFADMN O=S(=O)(C=Cc1ccc(Br)cc1)NCc1n[nH]c(C2CC2)n1 ZINC000295434980 563247690 /nfs/dbraw/zinc/24/76/90/563247690.db2.gz XYWRFHVQZWVXAE-BQYQJAHWSA-N 0 1 383.271 2.535 20 0 GFADMN CCn1cc(Br)cc1C(=O)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000370760228 563253925 /nfs/dbraw/zinc/25/39/25/563253925.db2.gz NIDLILFONZFLHH-HIFRSBDPSA-N 0 1 384.318 2.501 20 0 GFADMN COC(=O)c1cccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1Cl ZINC000295869354 563266214 /nfs/dbraw/zinc/26/62/14/563266214.db2.gz YWMNNLFGLUVEOQ-LLVKDONJSA-N 0 1 378.778 2.627 20 0 GFADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3c(Br)cnn3C)C1)CCCC2 ZINC000295954923 563269711 /nfs/dbraw/zinc/26/97/11/563269711.db2.gz IVXOIDMYWFDRHO-LBPRGKRZSA-N 0 1 392.301 2.654 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)N1CCC[C@H](C)C1 ZINC000420658118 563269917 /nfs/dbraw/zinc/26/99/17/563269917.db2.gz UFJMEYBKXDIWHG-RYUDHWBXSA-N 0 1 380.432 2.826 20 0 GFADMN Cc1ccc(I)cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371358453 563274120 /nfs/dbraw/zinc/27/41/20/563274120.db2.gz ATFNADJYBUEPJP-NSHDSACASA-N 0 1 381.217 2.610 20 0 GFADMN COc1ccc(S(=O)(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c(Cl)c1Cl ZINC000371506433 563280000 /nfs/dbraw/zinc/28/00/00/563280000.db2.gz 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CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000297499313 563327867 /nfs/dbraw/zinc/32/78/67/563327867.db2.gz YDPPMBJJLAUXMY-LSDHHAIUSA-N 0 1 393.285 2.925 20 0 GFADMN CCc1nc(CNC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)n[nH]1 ZINC000297500684 563327881 /nfs/dbraw/zinc/32/78/81/563327881.db2.gz OCVKPNGWXPAQAX-UHFFFAOYSA-N 0 1 387.271 2.726 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000373071048 563328009 /nfs/dbraw/zinc/32/80/09/563328009.db2.gz QOKVBIKLHWQIGX-JTQLQIEISA-N 0 1 393.684 2.770 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@]2(CCOC2)O1 ZINC000280271478 563329964 /nfs/dbraw/zinc/32/99/64/563329964.db2.gz CTNHJFKVFZJPCG-IFIJOSMWSA-N 0 1 376.280 2.613 20 0 GFADMN CC(C)c1nc(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)n[nH]1 ZINC000297590440 563330377 /nfs/dbraw/zinc/33/03/77/563330377.db2.gz DAIDCIGEDUTNTI-NSHDSACASA-N 0 1 398.236 2.763 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280341827 563332586 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CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)ccc1F ZINC000427645116 563471551 /nfs/dbraw/zinc/47/15/51/563471551.db2.gz BZDSVDQDYYMOSB-UHFFFAOYSA-N 0 1 375.328 2.581 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2C(C)C)sc1Br ZINC000329159812 563473801 /nfs/dbraw/zinc/47/38/01/563473801.db2.gz XSJOBHXWVALTRI-VHSXEESVSA-N 0 1 383.333 2.553 20 0 GFADMN Ic1cccc(-c2noc([C@@H]3C[C@H]3c3nc[nH]n3)n2)c1 ZINC000377454154 563475376 /nfs/dbraw/zinc/47/53/76/563475376.db2.gz ZWBFQBNPGVEOFQ-NXEZZACHSA-N 0 1 379.161 2.730 20 0 GFADMN C[C@@H](Cn1cc(Br)cn1)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000284560560 563480232 /nfs/dbraw/zinc/48/02/32/563480232.db2.gz HCZSSDPPIRRLTC-SWLSCSKDSA-N 0 1 382.306 2.525 20 0 GFADMN CN(C(=O)CC[C@H]1CCCCN1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000329523297 563481983 /nfs/dbraw/zinc/48/19/83/563481983.db2.gz GKBPUPFLRYGCKV-GDBMZVCRSA-N 0 1 384.929 2.891 20 0 GFADMN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377704127 563483354 /nfs/dbraw/zinc/48/33/54/563483354.db2.gz 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GFADMN C[C@@H]1CN(CC2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000430062512 563532827 /nfs/dbraw/zinc/53/28/27/563532827.db2.gz UDJNVAWHZDZVGP-BETUJISGSA-N 0 1 384.929 2.932 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc(Br)c2Cl)C1 ZINC000285702278 563532985 /nfs/dbraw/zinc/53/29/85/563532985.db2.gz IUORMXMBJKHUIK-KCJUWKMLSA-N 0 1 385.649 2.823 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1F ZINC000400153820 563534295 /nfs/dbraw/zinc/53/42/95/563534295.db2.gz CRRXQLXXUHUUPO-ZYHUDNBSSA-N 0 1 379.295 2.663 20 0 GFADMN O=C(NC[C@H](CO)Cc1cccc(Br)c1)c1cccc2nc[nH]c21 ZINC000430162322 563537380 /nfs/dbraw/zinc/53/73/80/563537380.db2.gz JBNKXEGQIAGYOH-CYBMUJFWSA-N 0 1 388.265 2.906 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000331181607 563539317 /nfs/dbraw/zinc/53/93/17/563539317.db2.gz MZOYYKYPSZUWSJ-UONOGXRCSA-N 0 1 384.318 2.985 20 0 GFADMN CCNCc1cn(Cc2cc(Cl)ccc2I)nn1 ZINC000405861365 563539840 /nfs/dbraw/zinc/53/98/40/563539840.db2.gz 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399.266 2.979 20 0 GFADMN O=c1cc(CN2CCC[C@@H]2Cc2ccccc2Br)[nH]c2ccnn21 ZINC000563854205 564210000 /nfs/dbraw/zinc/21/00/00/564210000.db2.gz UAJPLBUTSHCBLN-OAHLLOKOSA-N 0 1 387.281 2.992 20 0 GFADMN O=C(Cc1ncccc1F)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000472027962 564211065 /nfs/dbraw/zinc/21/10/65/564211065.db2.gz RJFQMJOGYHWEOU-UHFFFAOYSA-N 0 1 390.216 2.627 20 0 GFADMN O=C(Cc1ncccc1F)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000472027962 564211070 /nfs/dbraw/zinc/21/10/70/564211070.db2.gz RJFQMJOGYHWEOU-UHFFFAOYSA-N 0 1 390.216 2.627 20 0 GFADMN O=C(NCCN1CC=CCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000506768841 564212013 /nfs/dbraw/zinc/21/20/13/564212013.db2.gz WWWIRVJRFWNZAH-UHFFFAOYSA-N 0 1 375.270 2.627 20 0 GFADMN O=C(Cc1cccc(I)c1)N1CCN(C2CCC2)CC1 ZINC000472065211 564212014 /nfs/dbraw/zinc/21/20/14/564212014.db2.gz VRYMRRSFPRCNJZ-UHFFFAOYSA-N 0 1 384.261 2.530 20 0 GFADMN CCC[C@H](NC(=O)c1cc2c(Br)cccc2cn1)c1nn[nH]n1 ZINC000450122855 564217988 /nfs/dbraw/zinc/21/79/88/564217988.db2.gz 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COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1Cl ZINC000473952201 564259510 /nfs/dbraw/zinc/25/95/10/564259510.db2.gz QASXHXKUSLSVJN-CHWSQXEVSA-N 0 1 388.917 2.525 20 0 GFADMN CNC(=O)[C@H]1CCC[C@H]1NCc1ncc(Br)cc1Br ZINC000473995919 564261519 /nfs/dbraw/zinc/26/15/19/564261519.db2.gz UUVRYIILVLXWIC-GXSJLCMTSA-N 0 1 391.107 2.611 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000451021725 564264145 /nfs/dbraw/zinc/26/41/45/564264145.db2.gz FCFDWHCROSOSEM-QGZVFWFLSA-N 0 1 379.551 2.751 20 0 GFADMN COc1cc(C)c(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2C)cc1Cl ZINC000451092993 564272940 /nfs/dbraw/zinc/27/29/40/564272940.db2.gz DOMNINXRFIMATK-GFCCVEGCSA-N 0 1 385.873 2.924 20 0 GFADMN CCCS(=O)(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000451090801 564273117 /nfs/dbraw/zinc/27/31/17/564273117.db2.gz PONCKKYNLVZBLO-LBPRGKRZSA-N 0 1 390.347 2.741 20 0 GFADMN CCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2S(C)(=O)=O)cc1 ZINC000451097880 564274193 /nfs/dbraw/zinc/27/41/93/564274193.db2.gz 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/nfs/dbraw/zinc/28/26/42/564282642.db2.gz UDKQVPSHVOZHMX-UHFFFAOYSA-N 0 1 397.250 2.502 20 0 GFADMN CS(=O)(=O)c1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000474605457 564283086 /nfs/dbraw/zinc/28/30/86/564283086.db2.gz KSPZPNPWWONUNH-UHFFFAOYSA-N 0 1 376.869 2.614 20 0 GFADMN C[C@@H](O)CC(C)(C)CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000541573483 564284388 /nfs/dbraw/zinc/28/43/88/564284388.db2.gz KZTAZAOKBYIHDF-SNVBAGLBSA-N 0 1 381.270 2.818 20 0 GFADMN CCN(CC(F)F)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000541705688 564285916 /nfs/dbraw/zinc/28/59/16/564285916.db2.gz NBMQXISLPWSXMX-UHFFFAOYSA-N 0 1 379.148 2.895 20 0 GFADMN C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000541841075 564291613 /nfs/dbraw/zinc/29/16/13/564291613.db2.gz RSZSXLQUVFPJQA-NSHDSACASA-N 0 1 377.491 2.797 20 0 GFADMN O=C(N1CCC(c2n[nH]c(=O)o2)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000509292607 564291910 /nfs/dbraw/zinc/29/19/10/564291910.db2.gz BGMUWBCKRRJHRD-UHFFFAOYSA-N 0 1 392.253 2.976 20 0 GFADMN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000565870695 564299909 /nfs/dbraw/zinc/29/99/09/564299909.db2.gz AFFSZUFQXKOHKE-LURJTMIESA-N 0 1 377.348 2.944 20 0 GFADMN C[C@@H]1CN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@@H](C)CN1C ZINC000509449449 564300350 /nfs/dbraw/zinc/30/03/50/564300350.db2.gz MTPMNRUFGMPPQS-ZJUUUORDSA-N 0 1 376.245 2.690 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000542166645 564303252 /nfs/dbraw/zinc/30/32/52/564303252.db2.gz RLIOPNIYHHQRJJ-OLZOCXBDSA-N 0 1 387.293 2.604 20 0 GFADMN C[C@H](CCO)C1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCC1 ZINC000451369271 564305387 /nfs/dbraw/zinc/30/53/87/564305387.db2.gz RTCXCBZKJCREGM-LLVKDONJSA-N 0 1 381.416 2.878 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000542239585 564305939 /nfs/dbraw/zinc/30/59/39/564305939.db2.gz CGPNMJKXJNNNTA-RISCZKNCSA-N 0 1 396.292 2.696 20 0 GFADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC1(S(C)(=O)=O)CC1 ZINC000475429979 564308087 /nfs/dbraw/zinc/30/80/87/564308087.db2.gz RMGURPYMADVZFG-UHFFFAOYSA-N 0 1 381.929 2.868 20 0 GFADMN C[C@@H]1CN(CCCNS(=O)(=O)C2CCC(C(F)(F)F)CC2)CCCO1 ZINC000451465479 564316416 /nfs/dbraw/zinc/31/64/16/564316416.db2.gz PMCHEDVJADDGID-WLYUNCDWSA-N 0 1 386.480 2.528 20 0 GFADMN CCOC(=O)Cc1csc(NC(=O)CN(C)[C@H]2CC[C@H](SCC)C2)n1 ZINC000542515712 564317222 /nfs/dbraw/zinc/31/72/22/564317222.db2.gz XCLQNEDOMWLMHX-KBPBESRZSA-N 0 1 385.555 2.793 20 0 GFADMN Cn1ncc(Br)c1CN[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509957802 564320197 /nfs/dbraw/zinc/32/01/97/564320197.db2.gz LVKMELYSMFPDPR-HNNXBMFYSA-N 0 1 391.313 2.506 20 0 GFADMN Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000566317238 564322778 /nfs/dbraw/zinc/32/27/78/564322778.db2.gz YVAOEYOOXZPCOF-AWEZNQCLSA-N 0 1 382.507 2.644 20 0 GFADMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566408665 564326973 /nfs/dbraw/zinc/32/69/73/564326973.db2.gz YCYXCWBUEJTVOF-FZMZJTMJSA-N 0 1 391.273 2.612 20 0 GFADMN O=C(Nc1cncc(Br)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000566429611 564326988 /nfs/dbraw/zinc/32/69/88/564326988.db2.gz XNAIPCRSOCMWAV-HNNXBMFYSA-N 0 1 383.290 2.563 20 0 GFADMN COC(=O)[C@@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000566435081 564327966 /nfs/dbraw/zinc/32/79/66/564327966.db2.gz DUXPYYPBNOANDA-HNNXBMFYSA-N 0 1 383.286 2.511 20 0 GFADMN O=C(NCc1ccc(Br)cc1Cl)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566557805 564331412 /nfs/dbraw/zinc/33/14/12/564331412.db2.gz PWIWQLYQNCTAHA-JTQLQIEISA-N 0 1 384.665 2.920 20 0 GFADMN CCOC(=O)C1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CC1 ZINC000542940811 564332454 /nfs/dbraw/zinc/33/24/54/564332454.db2.gz JEDAGRJDSDEQJL-UHFFFAOYSA-N 0 1 379.214 2.516 20 0 GFADMN COCCN1CCCN(C(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000542952021 564333717 /nfs/dbraw/zinc/33/37/17/564333717.db2.gz PEORAONCDAXLKG-UHFFFAOYSA-N 0 1 399.329 2.571 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558221 564338683 /nfs/dbraw/zinc/33/86/83/564338683.db2.gz IVIXVYVOKUJFRW-RYUDHWBXSA-N 0 1 391.306 2.836 20 0 GFADMN COc1ccc(CN[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Br ZINC000543161307 564340691 /nfs/dbraw/zinc/34/06/91/564340691.db2.gz KPXMHEGNNXUQQX-HNNXBMFYSA-N 0 1 381.245 2.783 20 0 GFADMN NC(=O)[C@H](Cc1ccc(F)cc1)NCc1cc2c(c(Br)c1)OCO2 ZINC000543159822 564340901 /nfs/dbraw/zinc/34/09/01/564340901.db2.gz PUUZYZWHXAQRSZ-AWEZNQCLSA-N 0 1 395.228 2.503 20 0 GFADMN CCOc1cc(CN(C)[C@@H]2COC[C@H]2O)cc(Br)c1OC(F)F ZINC000566764513 564341923 /nfs/dbraw/zinc/34/19/23/564341923.db2.gz MPFIHENIYUUKSA-VXGBXAGGSA-N 0 1 396.228 2.641 20 0 GFADMN C[C@@H](Cc1cnn(C)c1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000566842094 564346057 /nfs/dbraw/zinc/34/60/57/564346057.db2.gz VOWHJNXCUHJIIE-JTQLQIEISA-N 0 1 389.257 2.785 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Br)cc3)C2)n1 ZINC000566901202 564349138 /nfs/dbraw/zinc/34/91/38/564349138.db2.gz DTFJLPJVFZDXEM-SMDDNHRTSA-N 0 1 392.301 2.542 20 0 GFADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@@H](C)c3ccc(Br)cc3)C2)[nH]1 ZINC000566901202 564349140 /nfs/dbraw/zinc/34/91/40/564349140.db2.gz DTFJLPJVFZDXEM-SMDDNHRTSA-N 0 1 392.301 2.542 20 0 GFADMN CC(C)(O)CN1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000510923868 564350955 /nfs/dbraw/zinc/35/09/55/564350955.db2.gz XLJVUOAYYIWNOM-UHFFFAOYSA-N 0 1 375.847 2.530 20 0 GFADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000510968083 564352139 /nfs/dbraw/zinc/35/21/39/564352139.db2.gz MGOXTWQOHWHXSD-NEPJUHHUSA-N 0 1 381.885 2.665 20 0 GFADMN O=S1(=O)CC[C@H](NCCCOC(F)F)c2cc(Br)ccc21 ZINC000511028913 564353799 /nfs/dbraw/zinc/35/37/99/564353799.db2.gz HVZDSEUTRUXFGA-NSHDSACASA-N 0 1 384.242 2.887 20 0 GFADMN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC1(c2nn[nH]n2)CC1 ZINC000477025777 564361768 /nfs/dbraw/zinc/36/17/68/564361768.db2.gz PCADVOVBHWQNEP-ZDUSSCGKSA-N 0 1 392.301 2.973 20 0 GFADMN O=C(NC1(c2nn[nH]n2)CC1)c1csc(-c2ccc(Br)s2)n1 ZINC000477056522 564362651 /nfs/dbraw/zinc/36/26/51/564362651.db2.gz HTQCWGMHMJPJFL-UHFFFAOYSA-N 0 1 397.283 2.566 20 0 GFADMN OCC[C@H](NC[C@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810900 564364588 /nfs/dbraw/zinc/36/45/88/564364588.db2.gz MCLLISQQVMUFLO-KSSFIOAISA-N 0 1 380.282 2.902 20 0 GFADMN OCC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccccc1Br ZINC000543810901 564364811 /nfs/dbraw/zinc/36/48/11/564364811.db2.gz MCLLISQQVMUFLO-RDTXWAMCSA-N 0 1 380.282 2.902 20 0 GFADMN CC1CCN(CC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000477126920 564365577 /nfs/dbraw/zinc/36/55/77/564365577.db2.gz MBBPPXYEQWXDAF-UHFFFAOYSA-N 0 1 393.285 2.847 20 0 GFADMN O[C@H](COc1c(Cl)cccc1Cl)CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451918767 564366423 /nfs/dbraw/zinc/36/64/23/564366423.db2.gz YXBOKROFWNEWOH-BHDSKKPTSA-N 0 1 388.213 2.978 20 0 GFADMN C[C@@H]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000567542135 564376434 /nfs/dbraw/zinc/37/64/34/564376434.db2.gz XJMGGWZSHAAQFW-SNVBAGLBSA-N 0 1 381.723 2.723 20 0 GFADMN O=S(=O)(CCc1cccs1)NCC1(N2CCSCC2)CCCCC1 ZINC000477601162 564381101 /nfs/dbraw/zinc/38/11/01/564381101.db2.gz LGGWDTFEJHJCOB-UHFFFAOYSA-N 0 1 388.624 2.962 20 0 GFADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000452105377 564392667 /nfs/dbraw/zinc/39/26/67/564392667.db2.gz NYUDOCWBKZWXJF-LLVKDONJSA-N 0 1 384.395 2.828 20 0 GFADMN CCSCc1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000544963258 564406176 /nfs/dbraw/zinc/40/61/76/564406176.db2.gz UYPJROHWSKHENR-UHFFFAOYSA-N 0 1 398.329 2.625 20 0 GFADMN COCCCOC1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000478556226 564407316 /nfs/dbraw/zinc/40/73/16/564407316.db2.gz AXAPVDGQEXLJKE-UHFFFAOYSA-N 0 1 394.269 2.717 20 0 GFADMN CS[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000452560656 564420532 /nfs/dbraw/zinc/42/05/32/564420532.db2.gz RIFDNIDQBIKMLG-SECBINFHSA-N 0 1 387.246 2.745 20 0 GFADMN CCc1nc(CNC(=O)c2c(Cl)cccc2I)n[nH]1 ZINC000452574910 564421433 /nfs/dbraw/zinc/42/14/33/564421433.db2.gz PIYIUPQUOHDYCV-UHFFFAOYSA-N 0 1 390.612 2.555 20 0 GFADMN CCc1nnc(NC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)[nH]1 ZINC000479079315 564424835 /nfs/dbraw/zinc/42/48/35/564424835.db2.gz KVDYDQUADFBXMI-LBPRGKRZSA-N 0 1 381.274 2.964 20 0 GFADMN CCc1n[nH]c(NC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)n1 ZINC000479079315 564424839 /nfs/dbraw/zinc/42/48/39/564424839.db2.gz KVDYDQUADFBXMI-LBPRGKRZSA-N 0 1 381.274 2.964 20 0 GFADMN Cc1cc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)ccc1I ZINC000568651792 564428703 /nfs/dbraw/zinc/42/87/03/564428703.db2.gz JJIUKHTUSOMCQR-NSHDSACASA-N 0 1 383.233 2.818 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)c(Br)c1 ZINC000479328181 564436300 /nfs/dbraw/zinc/43/63/00/564436300.db2.gz XUEBFXZQOLXVHM-LBPRGKRZSA-N 0 1 393.347 2.712 20 0 GFADMN O=C(Cc1ccc(Cl)s1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000513806299 564439404 /nfs/dbraw/zinc/43/94/04/564439404.db2.gz GXHSAWWDOARKLN-DOTOQJQBSA-N 0 1 378.925 2.943 20 0 GFADMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000568983732 564443530 /nfs/dbraw/zinc/44/35/30/564443530.db2.gz MYRSDNYATOCNIB-VHSXEESVSA-N 0 1 381.723 2.615 20 0 GFADMN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)c1sccc1CN(C)C ZINC000513994992 564443910 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COc1ccc(S(=O)(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c(Cl)c1 ZINC000514751058 564456481 /nfs/dbraw/zinc/45/64/81/564456481.db2.gz BHDMIWPXWPRYSV-LBPRGKRZSA-N 0 1 380.853 2.753 20 0 GFADMN O=S(=O)(c1cc(Br)cc2cccnc21)N1CCCc2[nH]ncc21 ZINC000514759148 564456591 /nfs/dbraw/zinc/45/65/91/564456591.db2.gz SXLZDGZGYOJETH-UHFFFAOYSA-N 0 1 393.266 2.862 20 0 GFADMN Cn1c2ccc(Cl)cc2nc1CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000514776524 564456988 /nfs/dbraw/zinc/45/69/88/564456988.db2.gz SDRCEEWPEBEISG-GFCCVEGCSA-N 0 1 375.881 2.887 20 0 GFADMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCCS(=O)(=O)N(C)C ZINC000569279457 564457225 /nfs/dbraw/zinc/45/72/25/564457225.db2.gz PJNKZIBHZKGJBL-QMTHXVAHSA-N 0 1 393.372 2.713 20 0 GFADMN CCn1cc(Br)c(=O)c(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000546564854 564459225 /nfs/dbraw/zinc/45/92/25/564459225.db2.gz DFAUVMGZTHEKPN-UHFFFAOYSA-N 0 1 389.246 2.712 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000514870538 564460911 /nfs/dbraw/zinc/46/09/11/564460911.db2.gz IXOGVNIBWZOYAK-LRDDRELGSA-N 0 1 378.270 2.951 20 0 GFADMN O=S1(=O)CC[C@H](NCC2(CCO)CCC2)c2cc(Br)ccc21 ZINC000480213257 564464040 /nfs/dbraw/zinc/46/40/40/564464040.db2.gz JMRHSJKUICAAQB-AWEZNQCLSA-N 0 1 388.327 2.810 20 0 GFADMN C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CN1C1CC1 ZINC000480204552 564464177 /nfs/dbraw/zinc/46/41/77/564464177.db2.gz YVJWXCNCCSHYID-KFNAQCHYSA-N 0 1 399.354 2.882 20 0 GFADMN CCN1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2C)CC1 ZINC000480214332 564464339 /nfs/dbraw/zinc/46/43/39/564464339.db2.gz ODRAMUCNLJANIC-UHFFFAOYSA-N 0 1 379.295 2.659 20 0 GFADMN C[C@H](Cn1ccnc1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228114 564465072 /nfs/dbraw/zinc/46/50/72/564465072.db2.gz RLMMFOFDBGIMBO-BXUZGUMPSA-N 0 1 384.299 2.542 20 0 GFADMN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546770061 564467603 /nfs/dbraw/zinc/46/76/03/564467603.db2.gz NURFCCITSWFQND-UTUOFQBUSA-N 0 1 379.320 2.687 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000480297034 564467995 /nfs/dbraw/zinc/46/79/95/564467995.db2.gz ZEBHAGHLDHSUAT-UHFFFAOYSA-N 0 1 391.331 2.563 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000453771655 564471120 /nfs/dbraw/zinc/47/11/20/564471120.db2.gz NYRWWXPMVHMHBW-GFCCVEGCSA-N 0 1 394.313 2.639 20 0 GFADMN COC(=O)c1coc(C(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000546861135 564471652 /nfs/dbraw/zinc/47/16/52/564471652.db2.gz YLWMZJAVWGCUCR-UHFFFAOYSA-N 0 1 381.460 3.524 20 0 GFADMN CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000569730285 564475730 /nfs/dbraw/zinc/47/57/30/564475730.db2.gz LUEXJBCIMRANJB-CQSZACIVSA-N 0 1 381.270 2.532 20 0 GFADMN C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccccc1Cl ZINC000569729563 564476064 /nfs/dbraw/zinc/47/60/64/564476064.db2.gz LLPUPFBUUFJLEN-JTQLQIEISA-N 0 1 388.823 2.774 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000480741443 564485754 /nfs/dbraw/zinc/48/57/54/564485754.db2.gz ZWOBUBNMHZZHOF-WDEREUQCSA-N 0 1 391.306 2.800 20 0 GFADMN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)cc1Cl ZINC000516041732 564492508 /nfs/dbraw/zinc/49/25/08/564492508.db2.gz MAFQETRLTPCLDB-UHFFFAOYSA-N 0 1 382.804 2.979 20 0 GFADMN Cc1cc(Br)cn2cc(CNC(=O)CN3CCC(C)(C)C3)nc12 ZINC000570176194 564495227 /nfs/dbraw/zinc/49/52/27/564495227.db2.gz OYGCUACEXBOMFT-UHFFFAOYSA-N 0 1 379.302 2.753 20 0 GFADMN COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000480936075 564496748 /nfs/dbraw/zinc/49/67/48/564496748.db2.gz UZTIWCFIGCHZMH-BLLLJJGKSA-N 0 1 382.507 2.504 20 0 GFADMN CC(C)(COc1ncccc1Br)NC(=O)CCCCc1cn[nH]n1 ZINC000570221515 564497451 /nfs/dbraw/zinc/49/74/51/564497451.db2.gz NKDPNOAWUZCYTF-UHFFFAOYSA-N 0 1 396.289 2.649 20 0 GFADMN C[C@@H]1CCN(CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000516393272 564501431 /nfs/dbraw/zinc/50/14/31/564501431.db2.gz SOQWZAHPGXDMPZ-CYBMUJFWSA-N 0 1 379.298 2.508 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000516590504 564506238 /nfs/dbraw/zinc/50/62/38/564506238.db2.gz MSRCJPWZIQBDKD-HNNXBMFYSA-N 0 1 387.237 2.991 20 0 GFADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000570470262 564507407 /nfs/dbraw/zinc/50/74/07/564507407.db2.gz FEVPMUTYQDJWEN-PWSUYJOCSA-N 0 1 375.270 2.646 20 0 GFADMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000570470262 564507410 /nfs/dbraw/zinc/50/74/10/564507410.db2.gz FEVPMUTYQDJWEN-PWSUYJOCSA-N 0 1 375.270 2.646 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000570480358 564507506 /nfs/dbraw/zinc/50/75/06/564507506.db2.gz ZMDDMXLBHVWGIL-NVXWUHKLSA-N 0 1 379.551 2.749 20 0 GFADMN CC=CC[C@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000570504791 564509047 /nfs/dbraw/zinc/50/90/47/564509047.db2.gz RQMPXTDRKYDSIB-ZZKXABKFSA-N 0 1 390.241 2.621 20 0 GFADMN CC=CC[C@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000570504791 564509050 /nfs/dbraw/zinc/50/90/50/564509050.db2.gz RQMPXTDRKYDSIB-ZZKXABKFSA-N 0 1 390.241 2.621 20 0 GFADMN O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000516860562 564514113 /nfs/dbraw/zinc/51/41/13/564514113.db2.gz TUGZIEKNOOYDJJ-LBPRGKRZSA-N 0 1 380.844 2.800 20 0 GFADMN COC(=O)c1cc(NC(=O)N2CCN(C3CCC3)CC2)ccc1Br ZINC000548081748 564529914 /nfs/dbraw/zinc/52/99/14/564529914.db2.gz AJSHPSVDOWRYGR-UHFFFAOYSA-N 0 1 396.285 2.938 20 0 GFADMN C[C@H]1c2cccc(Br)c2CCN1C(=O)NCCN1CCCOCC1 ZINC000455007154 564531929 /nfs/dbraw/zinc/53/19/29/564531929.db2.gz XPTABDHPFNPZGH-AWEZNQCLSA-N 0 1 396.329 2.800 20 0 GFADMN CCN1CCN(CC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000548141663 564532983 /nfs/dbraw/zinc/53/29/83/564532983.db2.gz LUENBAUCORPLIE-UHFFFAOYSA-N 0 1 383.880 2.574 20 0 GFADMN O=S(=O)(Cc1cccc(F)c1)NCC1(N2CCSCC2)CCCCC1 ZINC000482107549 564534036 /nfs/dbraw/zinc/53/40/36/564534036.db2.gz WTHUQCGANASTHI-UHFFFAOYSA-N 0 1 386.558 2.997 20 0 GFADMN C[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC[S@]1=O ZINC000517478939 564534948 /nfs/dbraw/zinc/53/49/48/564534948.db2.gz SMGDMJNLWZXIIN-QVQLBTGDSA-N 0 1 396.310 2.822 20 0 GFADMN COC(=O)c1cc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1Br ZINC000455081560 564536161 /nfs/dbraw/zinc/53/61/61/564536161.db2.gz WSVBMLZDNCMRLH-PHIMTYICSA-N 0 1 384.274 2.792 20 0 GFADMN CN(C(=O)c1ccc(I)c(F)c1)[C@H]1CN2CCC1CC2 ZINC000517697114 564538927 /nfs/dbraw/zinc/53/89/27/564538927.db2.gz ISGZCTPBTXJJCX-AWEZNQCLSA-N 0 1 388.224 2.597 20 0 GFADMN COc1cc(Br)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000517759416 564542396 /nfs/dbraw/zinc/54/23/96/564542396.db2.gz VYQJNTZPULWPLC-DGCLKSJQSA-N 0 1 388.258 2.530 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCC(O)(C(F)F)CC1)c1ccc(Cl)cc1 ZINC000548326394 564548544 /nfs/dbraw/zinc/54/85/44/564548544.db2.gz IQGHFZGBZPAHOH-AWEZNQCLSA-N 0 1 375.847 2.744 20 0 GFADMN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cccnc1OC ZINC000571390384 564549362 /nfs/dbraw/zinc/54/93/62/564549362.db2.gz FMWKQAAZUZTOMD-UHFFFAOYSA-N 0 1 385.829 2.511 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000571397311 564549565 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C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cccnn1 ZINC000529456211 564835767 /nfs/dbraw/zinc/83/57/67/564835767.db2.gz GDTLOFWXXZIEDK-LBPRGKRZSA-N 0 1 390.285 2.632 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cccnn1 ZINC000529456211 564835769 /nfs/dbraw/zinc/83/57/69/564835769.db2.gz GDTLOFWXXZIEDK-LBPRGKRZSA-N 0 1 390.285 2.632 20 0 GFADMN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000556922460 564847191 /nfs/dbraw/zinc/84/71/91/564847191.db2.gz BWSIRLFFJRTLCV-JSGCOSHPSA-N 0 1 384.933 2.691 20 0 GFADMN Cc1cc(C(C)(C)C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)ccc1Br ZINC000582598869 564854086 /nfs/dbraw/zinc/85/40/86/564854086.db2.gz KNZFDBFNUMWUCG-GFCCVEGCSA-N 0 1 392.301 2.954 20 0 GFADMN CCc1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2F)on1 ZINC000582637684 564855265 /nfs/dbraw/zinc/85/52/65/564855265.db2.gz PTPWBYFLLNDVOC-UHFFFAOYSA-N 0 1 381.198 2.756 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000529913508 564856351 /nfs/dbraw/zinc/85/63/51/564856351.db2.gz 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ZINC000530156906 564868550 /nfs/dbraw/zinc/86/85/50/564868550.db2.gz ITSNSCOVRRWIIT-UHFFFAOYSA-N 0 1 384.255 2.926 20 0 GFADMN Cc1cc(Cl)cnc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000530156544 564868657 /nfs/dbraw/zinc/86/86/57/564868657.db2.gz HYHZFOJCLDAOGF-UHFFFAOYSA-N 0 1 377.853 2.680 20 0 GFADMN Cc1nc(NC(=O)[C@@H]2Cc3ccccc3CN2)ccc1I ZINC000463141181 564870674 /nfs/dbraw/zinc/87/06/74/564870674.db2.gz BVHWXMNAOKZRJN-AWEZNQCLSA-N 0 1 393.228 2.648 20 0 GFADMN CN(Cc1cscn1)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000463157368 564871038 /nfs/dbraw/zinc/87/10/38/564871038.db2.gz RMUWTHQETJEWQW-UHFFFAOYSA-N 0 1 398.229 2.896 20 0 GFADMN COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(NS(C)(=O)=O)c1OC ZINC000463240348 564873586 /nfs/dbraw/zinc/87/35/86/564873586.db2.gz OURQSEIXLCJIMN-UHFFFAOYSA-N 0 1 384.841 2.981 20 0 GFADMN Cc1ccoc1CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000557725889 564874119 /nfs/dbraw/zinc/87/41/19/564874119.db2.gz ANBVUVGWMROYNT-UHFFFAOYSA-N 0 1 381.173 2.999 20 0 GFADMN Cc1ccc2nc(NC(=O)c3ccc(-n4cc(Br)cn4)nn3)[nH]c2c1 ZINC000557808619 564877628 /nfs/dbraw/zinc/87/76/28/564877628.db2.gz XFKJANQPSUEFRK-UHFFFAOYSA-N 0 1 398.224 2.862 20 0 GFADMN CN(CCc1cccc(Br)c1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000463423051 564880383 /nfs/dbraw/zinc/88/03/83/564880383.db2.gz FUBGRZCJLFLKHK-MRXNPFEDSA-N 0 1 391.313 2.853 20 0 GFADMN O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000583247353 564882695 /nfs/dbraw/zinc/88/26/95/564882695.db2.gz FDYJUFFQWGLASB-UONOGXRCSA-N 0 1 392.974 2.649 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920401 564885315 /nfs/dbraw/zinc/88/53/15/564885315.db2.gz VGTSTLJDANKROI-IAGOWNOFSA-N 0 1 396.329 2.569 20 0 GFADMN C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C[C@H]1C ZINC000530728388 564893423 /nfs/dbraw/zinc/89/34/23/564893423.db2.gz UMNWPIOIWFTSQV-GYSYKLTISA-N 0 1 398.244 2.511 20 0 GFADMN O=C([C@H]1CCN(Cc2ccc(I)cc2)C1)N1CCCC1 ZINC000558148440 564893619 /nfs/dbraw/zinc/89/36/19/564893619.db2.gz 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CNS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1O ZINC000583956328 564914291 /nfs/dbraw/zinc/91/42/91/564914291.db2.gz DJOLXKGJLSCKBF-UHFFFAOYSA-N 0 1 389.260 2.788 20 0 GFADMN CC[C@@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCS1 ZINC000464792030 564918298 /nfs/dbraw/zinc/91/82/98/564918298.db2.gz VPLTTZHBYMWLFR-GOSISDBHSA-N 0 1 381.973 2.812 20 0 GFADMN CSCC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000531743534 564919097 /nfs/dbraw/zinc/91/90/97/564919097.db2.gz UIQLWYMAKWPDGF-YOEHRIQHSA-N 0 1 385.961 2.890 20 0 GFADMN COC(=O)c1cc(CN2CCC(C(=O)NCC(F)(F)F)CC2)c(C)s1 ZINC000531801794 564921237 /nfs/dbraw/zinc/92/12/37/564921237.db2.gz PSLFYEYLOZCMMX-UHFFFAOYSA-N 0 1 378.416 2.734 20 0 GFADMN O=C(NC[C@H]1CCCS1)c1n[nH]c2ccc(I)cc21 ZINC000465045699 564921971 /nfs/dbraw/zinc/92/19/71/564921971.db2.gz RYSINCROMRYSNU-SECBINFHSA-N 0 1 387.246 2.793 20 0 GFADMN CCCSc1nsc(NC(=O)N2CCN(CC3CCOCC3)CC2)n1 ZINC000531904928 564923655 /nfs/dbraw/zinc/92/36/55/564923655.db2.gz PZEXBSZDLQVMQK-UHFFFAOYSA-N 0 1 385.559 2.616 20 0 GFADMN COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(Br)cn2)c1 ZINC000584207116 564924856 /nfs/dbraw/zinc/92/48/56/564924856.db2.gz HVOOPUNXUVCWTN-LBPRGKRZSA-N 0 1 378.270 2.933 20 0 GFADMN CCN1CCCN(C(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000584248825 564927118 /nfs/dbraw/zinc/92/71/18/564927118.db2.gz GLBSTAGRWIGTMC-ZDUSSCGKSA-N 0 1 386.323 2.767 20 0 GFADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(F)c1 ZINC000559277673 564928543 /nfs/dbraw/zinc/92/85/43/564928543.db2.gz NBFJHHOVMCBFDQ-UHFFFAOYSA-N 0 1 378.759 2.674 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2C)c(Cl)cc1F ZINC000532110661 564930088 /nfs/dbraw/zinc/93/00/88/564930088.db2.gz ODYLTJXOBNGLAZ-UHFFFAOYSA-N 0 1 381.820 2.872 20 0 GFADMN Cc1ccccc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000532197986 564932465 /nfs/dbraw/zinc/93/24/65/564932465.db2.gz KCHXVSQKGQKUOV-HNNXBMFYSA-N 0 1 380.535 2.928 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@@H]1CCSC1 ZINC000465984585 564934532 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565362186 /nfs/dbraw/zinc/36/21/86/565362186.db2.gz CAUUVUNDTCUONY-MAUKXSAKSA-N 0 1 390.325 2.738 20 0 GFADMN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000619979751 565364897 /nfs/dbraw/zinc/36/48/97/565364897.db2.gz UDIAFAKBXFPYRO-JTQLQIEISA-N 0 1 381.889 2.620 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000594033838 565373521 /nfs/dbraw/zinc/37/35/21/565373521.db2.gz RWAZRWLABGWTOX-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN COc1cc(CNC(=O)c2cc(C(C)(C)N)no2)cc(Br)c1OC ZINC000662553528 565376817 /nfs/dbraw/zinc/37/68/17/565376817.db2.gz LEGRFXJWYSQCIM-UHFFFAOYSA-N 0 1 398.257 2.578 20 0 GFADMN O=C1N=NC([C@@H]2CCCN(c3ncnc(C(F)(F)F)c3Br)C2)O1 ZINC000641550346 565381765 /nfs/dbraw/zinc/38/17/65/565381765.db2.gz SJSLNFBWQXCKNA-ZCFIWIBFSA-N 0 1 394.151 2.731 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@]1(C)CO ZINC000620444416 565384016 /nfs/dbraw/zinc/38/40/16/565384016.db2.gz DUMQXSSUUPBOPM-APPDUMDISA-N 0 1 378.270 2.930 20 0 GFADMN C[C@@](N)(C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccc(Br)cc1 ZINC000662760757 565384531 /nfs/dbraw/zinc/38/45/31/565384531.db2.gz LDWVFWRHIFTKQM-SFHVURJKSA-N 0 1 391.313 2.957 20 0 GFADMN C[C@](N)(C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccc(Br)cc1 ZINC000662760755 565384947 /nfs/dbraw/zinc/38/49/47/565384947.db2.gz LDWVFWRHIFTKQM-GOSISDBHSA-N 0 1 391.313 2.957 20 0 GFADMN C[C@@H]1COCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000641623657 565386898 /nfs/dbraw/zinc/38/68/98/565386898.db2.gz OFKORFYJAHAURS-ZWNOBZJWSA-N 0 1 398.269 2.885 20 0 GFADMN CC(C)(N)c1nocc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662939453 565389685 /nfs/dbraw/zinc/38/96/85/565389685.db2.gz NXVQGCLLIXEURI-UHFFFAOYSA-N 0 1 380.242 2.666 20 0 GFADMN CC[C@H](CS(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1)OC ZINC000641644457 565390495 /nfs/dbraw/zinc/39/04/95/565390495.db2.gz PWRXDSUBSWVYOI-LLVKDONJSA-N 0 1 379.404 2.768 20 0 GFADMN C[C@](N)(C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000662950528 565391103 /nfs/dbraw/zinc/39/11/03/565391103.db2.gz 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385.283 2.531 20 0 GFADMN CCc1cc(Br)ccc1-n1[nH]c(C)c([C@H]2CCS(=O)(=O)C2)c1=O ZINC000634615077 566160959 /nfs/dbraw/zinc/16/09/59/566160959.db2.gz WQWSIUQMXSXPNS-WFASDCNBSA-N 0 1 399.310 2.785 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2)[C@H]1CCOC1 ZINC000656739699 566163822 /nfs/dbraw/zinc/16/38/22/566163822.db2.gz WWMBEUKOVJNWKL-JSGCOSHPSA-N 0 1 389.901 2.847 20 0 GFADMN Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]c1ccc(Cl)c(C[NH+](C)C)c1 ZINC000634658255 566165422 /nfs/dbraw/zinc/16/54/22/566165422.db2.gz YCXRWCCUWFVSKT-UHFFFAOYSA-N 0 1 396.822 2.955 20 0 GFADMN CC(C)[C@@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614240 566166096 /nfs/dbraw/zinc/16/60/96/566166096.db2.gz UPCWVJRFENPTGC-CZUORRHYSA-N 0 1 397.292 2.878 20 0 GFADMN O=S(=O)(Nc1ncc2c(n1)CCOC2)c1ccc(C(F)(F)F)c(F)c1 ZINC000634660277 566166999 /nfs/dbraw/zinc/16/69/99/566166999.db2.gz DRUMUMAXJNUOPL-UHFFFAOYSA-N 0 1 377.319 2.508 20 0 GFADMN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ncccc1Br)C(C)C ZINC000656925100 566184841 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C[C@H](CC[N-]S(=O)(=O)c1cc(Br)sc1Cl)[NH+](C)C ZINC000657091038 566221771 /nfs/dbraw/zinc/22/17/71/566221771.db2.gz LFMMUGFTWVEEKK-SSDOTTSWSA-N 0 1 375.741 2.783 20 0 GFADMN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(Br)ccc2Cl)cn1 ZINC000275644144 570698043 /nfs/dbraw/zinc/69/80/43/570698043.db2.gz TWNBZAWJTVDVDO-ZBFHGGJFSA-N 0 1 397.704 2.946 20 0 GFADMN COC1(c2nc(C3CCOCC3)no2)CCN(Cc2scnc2C)CC1 ZINC000583615899 570800909 /nfs/dbraw/zinc/80/09/09/570800909.db2.gz LLTTVOAPQKFTSB-UHFFFAOYSA-N 0 1 378.498 2.866 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)CC1 ZINC000736275978 598963034 /nfs/dbraw/zinc/96/30/34/598963034.db2.gz LTIKHRIHPCJRLW-MRXNPFEDSA-N 0 1 392.511 2.758 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)CC1 ZINC000736275978 598963036 /nfs/dbraw/zinc/96/30/36/598963036.db2.gz LTIKHRIHPCJRLW-MRXNPFEDSA-N 0 1 392.511 2.758 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000736812713 599029918 /nfs/dbraw/zinc/02/99/18/599029918.db2.gz GJPCZLCDGSLCMF-FQEVSTJZSA-N 0 1 390.491 2.880 20 0 GFADMN CC(C)(CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000735670905 599095251 /nfs/dbraw/zinc/09/52/51/599095251.db2.gz XQIHCHOILDRYKI-MRXNPFEDSA-N 0 1 384.871 2.614 20 0 GFADMN C[C@H]1CCC[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736244914 599097604 /nfs/dbraw/zinc/09/76/04/599097604.db2.gz PLDNNJBDTGQKAG-QFBILLFUSA-N 0 1 382.512 2.727 20 0 GFADMN C/C(=C/C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000819765425 599134520 /nfs/dbraw/zinc/13/45/20/599134520.db2.gz PXHJAKPDPOACQK-PEZBUJJGSA-N 0 1 382.512 2.893 20 0 GFADMN O=C(Nc1ccc(O)cc1)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738174546 599134623 /nfs/dbraw/zinc/13/46/23/599134623.db2.gz UAEONLJNTNCXEX-UHFFFAOYSA-N 0 1 396.426 2.562 20 0 GFADMN O=S(=O)(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)c1cccc2cccnc21 ZINC000738346285 599157689 /nfs/dbraw/zinc/15/76/89/599157689.db2.gz XPQMXDBWPYAGOF-UHFFFAOYSA-N 0 1 386.824 2.869 20 0 GFADMN CC(C)(C)c1n[nH]c(SCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)n1 ZINC000735655316 599161147 /nfs/dbraw/zinc/16/11/47/599161147.db2.gz MVJBVCAKZTXPLB-UHFFFAOYSA-N 0 1 383.441 2.625 20 0 GFADMN C[C@](CO)(NCc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736038515 599175992 /nfs/dbraw/zinc/17/59/92/599175992.db2.gz VQWFXSLYIBRKKA-QGZVFWFLSA-N 0 1 377.370 2.883 20 0 GFADMN C[C@H]1CCN(C(=O)c2sccc2-c2nn[nH]n2)CCN1Cc1ccccc1 ZINC000820716803 599217543 /nfs/dbraw/zinc/21/75/43/599217543.db2.gz LLDULZTUGMHAIQ-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN O=C([O-])C[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000819357598 597059471 /nfs/dbraw/zinc/05/94/71/597059471.db2.gz HNTQHUBNAXMMIK-CVEARBPZSA-N 0 1 379.526 2.856 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000818478585 597226450 /nfs/dbraw/zinc/22/64/50/597226450.db2.gz RSBIHNVCTXIEPA-BBRMVZONSA-N 0 1 387.402 2.862 20 0 GFADMN CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)C2)o1 ZINC000735932488 599291815 /nfs/dbraw/zinc/29/18/15/599291815.db2.gz MRRZJWPBIDTTNN-INIZCTEOSA-N 0 1 399.474 2.824 20 0 GFADMN O=C([O-])C1CCC(Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000821377461 598111130 /nfs/dbraw/zinc/11/11/30/598111130.db2.gz GBDRRGPBRQLJGG-UHFFFAOYSA-N 0 1 393.459 2.542 20 0 GFADMN CC[NH+]1CCN(C(=O)Cc2ccc(NCc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000414634752 598204957 /nfs/dbraw/zinc/20/49/57/598204957.db2.gz DFEXALPUXDMNDP-UHFFFAOYSA-N 0 1 381.476 2.704 20 0 GFADMN CC(C)Cc1ccc(CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000735848894 598249414 /nfs/dbraw/zinc/24/94/14/598249414.db2.gz BYMCZTSCVJIRTD-UHFFFAOYSA-N 0 1 377.496 2.782 20 0 GFADMN CN(Cc1ccccc1-c1nn[nH]n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736827382 598312815 /nfs/dbraw/zinc/31/28/15/598312815.db2.gz CFSRYYLIMOEVBI-IBGZPJMESA-N 0 1 377.427 2.961 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000737510307 598368429 /nfs/dbraw/zinc/36/84/29/598368429.db2.gz CPHFNNIDXCFWTQ-AWEZNQCLSA-N 0 1 387.875 2.778 20 0 GFADMN COc1ccc(CN2CCCN(c3ncc(-c4nn[nH]n4)cc3Cl)CC2)cc1 ZINC000737091283 598388098 /nfs/dbraw/zinc/38/80/98/598388098.db2.gz SGAZFMAHECNNKV-UHFFFAOYSA-N 0 1 399.886 2.636 20 0 GFADMN CSc1cccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000737193050 598503151 /nfs/dbraw/zinc/50/31/51/598503151.db2.gz VSOGIOJHVORHGA-UHFFFAOYSA-N 0 1 392.444 2.542 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2noc3c2CCCC3)c2ccc(Cl)cc12 ZINC000738370308 598532673 /nfs/dbraw/zinc/53/26/73/598532673.db2.gz BRBBLCPAGRYJIS-UHFFFAOYSA-N 0 1 382.811 2.750 20 0 GFADMN c1c(CSc2nc(-c3cccnc3)n[nH]2)c(-c2nn[nH]n2)c2ccccn12 ZINC000738445025 598570075 /nfs/dbraw/zinc/57/00/75/598570075.db2.gz CCYBDLDTFLQADM-UHFFFAOYSA-N 0 1 375.421 2.592 20 0 GFADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)N2CCCC2)o1 ZINC000737319071 598626203 /nfs/dbraw/zinc/62/62/03/598626203.db2.gz CMHWXTJZGTVMNN-INIZCTEOSA-N 0 1 399.430 2.866 20 0 GFADMN COc1cc(F)ccc1N1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737054737 599322426 /nfs/dbraw/zinc/32/24/26/599322426.db2.gz UZOYBWNJOUAJJY-AWEZNQCLSA-N 0 1 382.443 2.898 20 0 GFADMN COc1ccc([C@H](CNc2cccc(-c3nnn[n-]3)n2)[NH+]2CCCCC2)cc1 ZINC000737073615 599395627 /nfs/dbraw/zinc/39/56/27/599395627.db2.gz GBVGGUQSZKYXOB-SFHVURJKSA-N 0 1 379.468 2.909 20 0 GFADMN COc1ccc([C@H](CNc2cccc(-c3nn[n-]n3)n2)[NH+]2CCCCC2)cc1 ZINC000737073615 599395628 /nfs/dbraw/zinc/39/56/28/599395628.db2.gz GBVGGUQSZKYXOB-SFHVURJKSA-N 0 1 379.468 2.909 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccc(Oc2ccccc2)nc1 ZINC000738432494 599489936 /nfs/dbraw/zinc/48/99/36/599489936.db2.gz GJKGBUWBFXJXTI-UHFFFAOYSA-N 0 1 398.430 2.992 20 0 GFADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820260298 599575414 /nfs/dbraw/zinc/57/54/14/599575414.db2.gz GYHXZPBCONVOMZ-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820260298 599575415 /nfs/dbraw/zinc/57/54/15/599575415.db2.gz GYHXZPBCONVOMZ-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN CCc1nc(CN2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736703737 599581388 /nfs/dbraw/zinc/58/13/88/599581388.db2.gz GDJVOBGHCZTSKX-CQSZACIVSA-N 0 1 383.525 2.764 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)c2ccc(C)cc2)cc1-c1nn[nH]n1 ZINC000737186056 599604355 /nfs/dbraw/zinc/60/43/55/599604355.db2.gz FKGOGZAHRHPPIV-NSHDSACASA-N 0 1 384.465 2.531 20 0 GFADMN CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821589204 599639576 /nfs/dbraw/zinc/63/95/76/599639576.db2.gz CBOXEOSXQPJQDM-LJQANCHMSA-N 0 1 391.479 2.708 20 0 GFADMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2CCC2)c1-c1nn[nH]n1 ZINC000822014863 599641534 /nfs/dbraw/zinc/64/15/34/599641534.db2.gz AJHPZDHGYKVATB-UHFFFAOYSA-N 0 1 393.495 2.756 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC000737986954 599716880 /nfs/dbraw/zinc/71/68/80/599716880.db2.gz OJCGSMXCAVWHJR-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC000737986954 599716884 /nfs/dbraw/zinc/71/68/84/599716884.db2.gz OJCGSMXCAVWHJR-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN O=C([O-])NCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000739940650 599719523 /nfs/dbraw/zinc/71/95/23/599719523.db2.gz DHZOSZHGPHRQIH-UHFFFAOYSA-N 0 1 391.468 2.856 20 0 GFADMN O=C([O-])NCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000739953225 599741396 /nfs/dbraw/zinc/74/13/96/599741396.db2.gz IPKYDRBJSMPOCH-UHFFFAOYSA-N 0 1 381.476 2.968 20 0 GFADMN Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738767753 599753393 /nfs/dbraw/zinc/75/33/93/599753393.db2.gz HDIKIRLLRZVQLP-PZJWPPBQSA-N 0 1 378.472 2.822 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000739622977 599815213 /nfs/dbraw/zinc/81/52/13/599815213.db2.gz YOUUZHZFINXZBU-UYAOXDASSA-N 0 1 382.435 2.653 20 0 GFADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000736488184 599819659 /nfs/dbraw/zinc/81/96/59/599819659.db2.gz RETAVKDFDORYSR-INIZCTEOSA-N 0 1 391.468 2.501 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)c3ccc(C(=O)[O-])s3)CCCCC2)CCO1 ZINC000736736087 599920123 /nfs/dbraw/zinc/92/01/23/599920123.db2.gz VAFGMUIZYJJWSO-UHFFFAOYSA-N 0 1 380.510 2.990 20 0 GFADMN CCc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+](C)C)cc1 ZINC000184878802 599929660 /nfs/dbraw/zinc/92/96/60/599929660.db2.gz IWVWQZFUUFYJRX-GOSISDBHSA-N 0 1 390.505 2.837 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000738277551 599935556 /nfs/dbraw/zinc/93/55/56/599935556.db2.gz HOMPJLIITOCLKC-UHFFFAOYSA-N 0 1 380.510 2.580 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)C1CC1)C(=O)[O-] ZINC000736578278 599950717 /nfs/dbraw/zinc/95/07/17/599950717.db2.gz LAKYFJGEJFUUPQ-VXGBXAGGSA-N 0 1 383.286 2.811 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738367792 599976305 /nfs/dbraw/zinc/97/63/05/599976305.db2.gz AIBWDQGUVHQXLP-GOSISDBHSA-N 0 1 385.468 2.543 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738367792 599976306 /nfs/dbraw/zinc/97/63/06/599976306.db2.gz AIBWDQGUVHQXLP-GOSISDBHSA-N 0 1 385.468 2.543 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(CCC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738409476 599981693 /nfs/dbraw/zinc/98/16/93/599981693.db2.gz XSCPTEICILJJLC-SFHVURJKSA-N 0 1 397.479 2.901 20 0 GFADMN O=C([O-])c1ccc(CCNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739430044 600029798 /nfs/dbraw/zinc/02/97/98/600029798.db2.gz MNCHCVZEKBUSMU-FQEVSTJZSA-N 0 1 395.503 2.791 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)c(C)c1C(=O)[O-] ZINC000738234429 600049767 /nfs/dbraw/zinc/04/97/67/600049767.db2.gz DDSSGBMDKFMBEN-AWEZNQCLSA-N 0 1 395.463 2.823 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@H+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262639131 600131425 /nfs/dbraw/zinc/13/14/25/600131425.db2.gz GZWBCBLOKQZWNB-XLIONFOSSA-N 0 1 396.443 2.569 20 0 GFADMN C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C(=O)[O-])o4)CC3)cc2NC1=O ZINC000736833537 600142117 /nfs/dbraw/zinc/14/21/17/600142117.db2.gz FUGKTDCKOHIEAG-LBPRGKRZSA-N 0 1 398.415 2.792 20 0 GFADMN Cc1cccc(COc2c(C)cc(C[N@H+](C)CC(=O)NCC(=O)[O-])cc2C)c1 ZINC000262266430 600178451 /nfs/dbraw/zinc/17/84/51/600178451.db2.gz UBBLYDIFYXDUOI-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN Cc1cccc(COc2c(C)cc(C[N@@H+](C)CC(=O)NCC(=O)[O-])cc2C)c1 ZINC000262266430 600178452 /nfs/dbraw/zinc/17/84/52/600178452.db2.gz UBBLYDIFYXDUOI-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN O=C([O-])c1cc(Cl)cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000739290069 600202512 /nfs/dbraw/zinc/20/25/12/600202512.db2.gz PKHXYMXDYBSEKJ-UHFFFAOYSA-N 0 1 387.867 2.795 20 0 GFADMN CC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(C[C@@H]3C(=O)[O-])CC1)C2=O ZINC000736252530 600281639 /nfs/dbraw/zinc/28/16/39/600281639.db2.gz QUEXUERDNRZUHX-FAGJFJLWSA-N 0 1 391.512 2.658 20 0 GFADMN CNC(=O)c1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1 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CSCCc1ccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)cc1 ZINC000826228958 607535519 /nfs/dbraw/zinc/53/55/19/607535519.db2.gz IHHZRPRXPMGQFY-UHFFFAOYSA-N 0 1 389.506 2.881 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000740644478 601956277 /nfs/dbraw/zinc/95/62/77/601956277.db2.gz YKEOQZMULQTKKD-FZKQIMNGSA-N 0 1 391.468 2.682 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000740644478 601956281 /nfs/dbraw/zinc/95/62/81/601956281.db2.gz YKEOQZMULQTKKD-FZKQIMNGSA-N 0 1 391.468 2.682 20 0 GFADMN CC[N@H+](Cc1ccccn1)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000829687870 601963927 /nfs/dbraw/zinc/96/39/27/601963927.db2.gz PLJLOGAKNSOAJK-IBGZPJMESA-N 0 1 380.448 2.639 20 0 GFADMN CC[N@@H+](Cc1ccccn1)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000829687870 601963929 /nfs/dbraw/zinc/96/39/29/601963929.db2.gz PLJLOGAKNSOAJK-IBGZPJMESA-N 0 1 380.448 2.639 20 0 GFADMN CCC[N@@H+]1Cc2cccc(NC(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)c2C1 ZINC000739366793 601999345 /nfs/dbraw/zinc/99/93/45/601999345.db2.gz XFLLVFWVOYLGOF-UHFFFAOYSA-N 0 1 398.467 2.571 20 0 GFADMN CCC[N@H+]1Cc2cccc(NC(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)c2C1 ZINC000739366793 601999347 /nfs/dbraw/zinc/99/93/47/601999347.db2.gz XFLLVFWVOYLGOF-UHFFFAOYSA-N 0 1 398.467 2.571 20 0 GFADMN O=C([O-])Cc1cccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000738622995 602096031 /nfs/dbraw/zinc/09/60/31/602096031.db2.gz YEXNQSKWBOCBHH-UHFFFAOYSA-N 0 1 383.448 2.832 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738980898 602097607 /nfs/dbraw/zinc/09/76/07/602097607.db2.gz PKGZHCBXZDKWGI-ILXRZTDVSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738980898 602097610 /nfs/dbraw/zinc/09/76/10/602097610.db2.gz PKGZHCBXZDKWGI-ILXRZTDVSA-N 0 1 394.541 2.572 20 0 GFADMN O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000740637172 602145623 /nfs/dbraw/zinc/14/56/23/602145623.db2.gz TXSXZMBDWBULRE-RBUKOAKNSA-N 0 1 388.512 2.730 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739384457 602148874 /nfs/dbraw/zinc/14/88/74/602148874.db2.gz GWSOQVDLRORPHZ-SFHVURJKSA-N 0 1 376.501 2.670 20 0 GFADMN CCc1cc(=O)[nH]c(C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000830224792 602237053 /nfs/dbraw/zinc/23/70/53/602237053.db2.gz WCILTQNPXKCOSS-MRXNPFEDSA-N 0 1 380.242 2.597 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000739013067 602274436 /nfs/dbraw/zinc/27/44/36/602274436.db2.gz XQPXIKMEBVWSDH-LWCVALJOSA-N 0 1 376.497 2.952 20 0 GFADMN CN(CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1)C(=O)[O-] ZINC000739640615 602364692 /nfs/dbraw/zinc/36/46/92/602364692.db2.gz HNYRSGLFUHVELZ-GOSISDBHSA-N 0 1 391.537 2.625 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000740688019 602391707 /nfs/dbraw/zinc/39/17/07/602391707.db2.gz FTQNFQLCEXEDJD-UXHICEINSA-N 0 1 381.476 2.646 20 0 GFADMN CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000739462642 602393543 /nfs/dbraw/zinc/39/35/43/602393543.db2.gz YXDFAFLDTBQOBX-HXUWFJFHSA-N 0 1 396.491 2.772 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739858832 602446378 /nfs/dbraw/zinc/44/63/78/602446378.db2.gz BGCZMTOWIFTERL-GFCCVEGCSA-N 0 1 383.876 2.964 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000739175793 602455752 /nfs/dbraw/zinc/45/57/52/602455752.db2.gz LAFDMNNTIBHCKG-SOLBZPMBSA-N 0 1 391.512 2.780 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000739175793 602455753 /nfs/dbraw/zinc/45/57/53/602455753.db2.gz LAFDMNNTIBHCKG-SOLBZPMBSA-N 0 1 391.512 2.780 20 0 GFADMN Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@H](C)NC(=O)[O-])CC3)C2=O)cc1Cl ZINC000740131076 602457073 /nfs/dbraw/zinc/45/70/73/602457073.db2.gz RZUIQCRRROZZOF-LRDDRELGSA-N 0 1 393.871 2.648 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737566504 602534439 /nfs/dbraw/zinc/53/44/39/602534439.db2.gz PZIRFLRXFHPUTE-LLVKDONJSA-N 0 1 389.374 2.986 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738628348 602536817 /nfs/dbraw/zinc/53/68/17/602536817.db2.gz CMZKYQFDWZPMCY-NWDGAFQWSA-N 0 1 389.374 2.844 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1)C(=O)[O-] ZINC000739659389 602537685 /nfs/dbraw/zinc/53/76/85/602537685.db2.gz CFUPTMYUOQAWAP-DNVCBOLYSA-N 0 1 387.505 2.885 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1)C(=O)[O-] ZINC000739659389 602537687 /nfs/dbraw/zinc/53/76/87/602537687.db2.gz CFUPTMYUOQAWAP-DNVCBOLYSA-N 0 1 387.505 2.885 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000737931824 602544048 /nfs/dbraw/zinc/54/40/48/602544048.db2.gz XZTXWBNFWPZBCO-SFHVURJKSA-N 0 1 388.512 2.682 20 0 GFADMN Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740202587 602557917 /nfs/dbraw/zinc/55/79/17/602557917.db2.gz GIMAOOOVTDXBKC-KRWDZBQOSA-N 0 1 385.468 2.610 20 0 GFADMN Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740202587 602557919 /nfs/dbraw/zinc/55/79/19/602557919.db2.gz GIMAOOOVTDXBKC-KRWDZBQOSA-N 0 1 385.468 2.610 20 0 GFADMN CCC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360458 602578388 /nfs/dbraw/zinc/57/83/88/602578388.db2.gz VYUNLFGVHJFFCM-CYBMUJFWSA-N 0 1 376.425 2.647 20 0 GFADMN CCC[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360458 602578389 /nfs/dbraw/zinc/57/83/89/602578389.db2.gz VYUNLFGVHJFFCM-CYBMUJFWSA-N 0 1 376.425 2.647 20 0 GFADMN CCC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359961 602578800 /nfs/dbraw/zinc/57/88/00/602578800.db2.gz QVKAZZCXUUTAHA-ZDUSSCGKSA-N 0 1 390.440 2.718 20 0 GFADMN CCC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359961 602578801 /nfs/dbraw/zinc/57/88/01/602578801.db2.gz QVKAZZCXUUTAHA-ZDUSSCGKSA-N 0 1 390.440 2.718 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(CCNC(=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000738626325 602590374 /nfs/dbraw/zinc/59/03/74/602590374.db2.gz CIBWDXORXSTVBS-INIZCTEOSA-N 0 1 381.476 2.560 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(CCNC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000738626325 602590376 /nfs/dbraw/zinc/59/03/76/602590376.db2.gz CIBWDXORXSTVBS-INIZCTEOSA-N 0 1 381.476 2.560 20 0 GFADMN O=C([O-])N1CCC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740425649 602642722 /nfs/dbraw/zinc/64/27/22/602642722.db2.gz UDUJWGHZLKLEDZ-FUHWJXTLSA-N 0 1 391.487 2.934 20 0 GFADMN C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)CC1CCN(C(=O)[O-])CC1 ZINC000738913636 602647583 /nfs/dbraw/zinc/64/75/83/602647583.db2.gz WXCBADBZGCDLCC-SFHVURJKSA-N 0 1 375.513 2.599 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1)C(=O)[O-] ZINC000739662941 602666640 /nfs/dbraw/zinc/66/66/40/602666640.db2.gz CHOMCVSVPLAYKZ-LBPRGKRZSA-N 0 1 394.269 2.653 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739176360 602764378 /nfs/dbraw/zinc/76/43/78/602764378.db2.gz DBNCBBBEOVXEGA-BXKDBHETSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739176360 602764379 /nfs/dbraw/zinc/76/43/79/602764379.db2.gz DBNCBBBEOVXEGA-BXKDBHETSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739181693 602775586 /nfs/dbraw/zinc/77/55/86/602775586.db2.gz KYOJKNLYBSFAAG-FZMZJTMJSA-N 0 1 384.274 2.756 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179131 602788137 /nfs/dbraw/zinc/78/81/37/602788137.db2.gz LRQISRUCNFENQW-LPHOPBHVSA-N 0 1 388.512 2.984 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179131 602788139 /nfs/dbraw/zinc/78/81/39/602788139.db2.gz LRQISRUCNFENQW-LPHOPBHVSA-N 0 1 388.512 2.984 20 0 GFADMN CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC(=O)[O-] ZINC000738790135 602800086 /nfs/dbraw/zinc/80/00/86/602800086.db2.gz UWIWMVGSBSDWQF-ZBFHGGJFSA-N 0 1 382.530 2.552 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])c2)C[C@@H](C)O1 ZINC000739190592 602840966 /nfs/dbraw/zinc/84/09/66/602840966.db2.gz ONGWLLUAVPCWJN-IIDMSEBBSA-N 0 1 375.469 2.767 20 0 GFADMN CC(C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)NC(=O)[O-] ZINC000738788613 602853576 /nfs/dbraw/zinc/85/35/76/602853576.db2.gz ZDAKCNNXLXLSHM-IBGZPJMESA-N 0 1 390.528 2.629 20 0 GFADMN CCN(CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000739425244 602912639 /nfs/dbraw/zinc/91/26/39/602912639.db2.gz MYBJLNIMLXMLBU-SJLPKXTDSA-N 0 1 376.501 2.681 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739144933 602922614 /nfs/dbraw/zinc/92/26/14/602922614.db2.gz IGNDRXOLSQRQCL-RKVPGOIHSA-N 0 1 390.484 2.590 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CN(CC3CC3)C(=O)[O-])c2)C[C@H](C)O1 ZINC000826066213 602969247 /nfs/dbraw/zinc/96/92/47/602969247.db2.gz CXSSMDXYJPVFRX-GASCZTMLSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CN(CC3CC3)C(=O)[O-])c2)C[C@H](C)O1 ZINC000826066213 602969249 /nfs/dbraw/zinc/96/92/49/602969249.db2.gz CXSSMDXYJPVFRX-GASCZTMLSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000826069971 602969353 /nfs/dbraw/zinc/96/93/53/602969353.db2.gz XYCOOYTUNJQGPI-DAYGRLMNSA-N 0 1 375.469 2.767 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000826069971 602969355 /nfs/dbraw/zinc/96/93/55/602969355.db2.gz XYCOOYTUNJQGPI-DAYGRLMNSA-N 0 1 375.469 2.767 20 0 GFADMN COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)[O-] ZINC000739921972 602991876 /nfs/dbraw/zinc/99/18/76/602991876.db2.gz WHEFVBBRRPIUJF-GOSISDBHSA-N 0 1 385.420 2.625 20 0 GFADMN COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)[O-] ZINC000739921972 602991878 /nfs/dbraw/zinc/99/18/78/602991878.db2.gz WHEFVBBRRPIUJF-GOSISDBHSA-N 0 1 385.420 2.625 20 0 GFADMN CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC[N@H+]1CCOC ZINC000739277788 602997232 /nfs/dbraw/zinc/99/72/32/602997232.db2.gz HKNILLZRGNKUOA-QGZVFWFLSA-N 0 1 390.484 2.692 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739099722 603028116 /nfs/dbraw/zinc/02/81/16/603028116.db2.gz DGKSAENIMICXOA-HOJAQTOUSA-N 0 1 387.524 2.978 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739060242 603030935 /nfs/dbraw/zinc/03/09/35/603030935.db2.gz WQYSUIAEIUBKMJ-JKSUJKDBSA-N 0 1 390.484 2.543 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C1CC[NH+](CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000740521122 603080417 /nfs/dbraw/zinc/08/04/17/603080417.db2.gz YKILLVHGWLGNEV-RBUKOAKNSA-N 0 1 387.480 2.862 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CCC(NC(=O)[O-])CC2)C1 ZINC000739106735 603152354 /nfs/dbraw/zinc/15/23/54/603152354.db2.gz NOGXUIFUENSMHJ-KNXWPPODSA-N 0 1 380.533 2.861 20 0 GFADMN CC(=O)N(c1nc(C[NH2+][C@]2(CNC(=O)[O-])CCCC[C@H]2C)cs1)C1CC1 ZINC000738515456 603237202 /nfs/dbraw/zinc/23/72/02/603237202.db2.gz WXUDROSGBFLPQZ-XIKOKIGWSA-N 0 1 380.514 2.965 20 0 GFADMN O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831322056 603284632 /nfs/dbraw/zinc/28/46/32/603284632.db2.gz ZOQVDJJFCILRTO-QGZVFWFLSA-N 0 1 379.888 2.907 20 0 GFADMN O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831322056 603284635 /nfs/dbraw/zinc/28/46/35/603284635.db2.gz ZOQVDJJFCILRTO-QGZVFWFLSA-N 0 1 379.888 2.907 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CC[C@@H]1NC(=O)[O-] ZINC000739184220 603411892 /nfs/dbraw/zinc/41/18/92/603411892.db2.gz WBWZGVPAJCJWED-AAEUAGOBSA-N 0 1 384.274 2.756 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 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O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc(Br)ccc1[O-] ZINC000436645928 563676326 /nfs/dbraw/zinc/67/63/26/563676326.db2.gz DMZBBFWVNARPJS-HNNXBMFYSA-N 0 1 391.265 2.974 20 0 GFADMN CC(=O)c1ccc(O)c(NC(=O)CCn2cc(Br)ccc2=O)c1 ZINC000436679124 563676887 /nfs/dbraw/zinc/67/68/87/563676887.db2.gz IVODESHQWNPSAX-UHFFFAOYSA-N 0 1 379.210 2.548 20 0 GFADMN CCC(CC)N(CC)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289520738 563677437 /nfs/dbraw/zinc/67/74/37/563677437.db2.gz VOSAPQBQXCDEQB-MRXNPFEDSA-N 0 1 386.583 2.774 20 0 GFADMN Cc1n[nH]cc1CCCNCc1cn(-c2ccccc2Br)nn1 ZINC000289679838 563682909 /nfs/dbraw/zinc/68/29/09/563682909.db2.gz AVJHKJMPXTWNOG-UHFFFAOYSA-N 0 1 375.274 2.784 20 0 GFADMN COc1cc(CN[C@H](C)c2ccc(Br)nc2)ccc1OCC(N)=O ZINC000289799298 563687355 /nfs/dbraw/zinc/68/73/55/563687355.db2.gz OTQSASJNNUDDDM-LLVKDONJSA-N 0 1 394.269 2.568 20 0 GFADMN Cn1nnc2cc(C(=O)Nc3cc(Br)cc(Cl)c3O)cnc21 ZINC000436989831 563687911 /nfs/dbraw/zinc/68/79/11/563687911.db2.gz SJVFRRQVLJJBCR-UHFFFAOYSA-N 0 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C[C@@H](CNS(=O)(=O)c1ccc(F)c(Br)c1)N1CCC[C@H](C)C1 ZINC000439248334 563720629 /nfs/dbraw/zinc/72/06/29/563720629.db2.gz QCLZBGIBYRBULH-RYUDHWBXSA-N 0 1 393.322 2.987 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)cc1Cl ZINC000439359931 563723112 /nfs/dbraw/zinc/72/31/12/563723112.db2.gz PKQVVRPJZRIPDJ-LLVKDONJSA-N 0 1 388.295 2.883 20 0 GFADMN O=C(NCCn1cccc1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000439341275 563723194 /nfs/dbraw/zinc/72/31/94/563723194.db2.gz ABODELLVQPPOKV-UHFFFAOYSA-N 0 1 389.257 2.535 20 0 GFADMN O=C(NCCn1cccc1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000439341275 563723195 /nfs/dbraw/zinc/72/31/95/563723195.db2.gz ABODELLVQPPOKV-UHFFFAOYSA-N 0 1 389.257 2.535 20 0 GFADMN CCOCc1nc([C@H](C)NC(=O)c2n[nH]c3ccc(Br)cc32)no1 ZINC000290887528 563725051 /nfs/dbraw/zinc/72/50/51/563725051.db2.gz FJNNZDVAHDZCKX-QMMMGPOBSA-N 0 1 394.229 2.736 20 0 GFADMN CC(C)(C(N)=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439563522 563728722 /nfs/dbraw/zinc/72/87/22/563728722.db2.gz 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/nfs/dbraw/zinc/78/52/22/563785222.db2.gz RFDLMZWJITVSCX-NXEZZACHSA-N 0 1 388.693 2.558 20 0 GFADMN COc1ccc(Br)cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000365807845 563793522 /nfs/dbraw/zinc/79/35/22/563793522.db2.gz XNTFYPFVDPQTPV-UHFFFAOYSA-N 0 1 398.301 2.786 20 0 GFADMN Cc1sc(Br)c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1C ZINC000443315849 563800482 /nfs/dbraw/zinc/80/04/82/563800482.db2.gz UQAGYLDCRJFEEI-UHFFFAOYSA-N 0 1 380.271 3.503 20 0 GFADMN CCN(CC(=O)NC(C)C)C(=O)CN[C@H](C)c1ccc(Br)s1 ZINC000443344585 563801902 /nfs/dbraw/zinc/80/19/02/563801902.db2.gz IIBAEMOWEGJHQC-LLVKDONJSA-N 0 1 390.347 2.534 20 0 GFADMN CCCOc1cc(C)ccc1CNS(=O)(=O)c1csnc1C(=O)OC ZINC000443359447 563802599 /nfs/dbraw/zinc/80/25/99/563802599.db2.gz PQEJNQYGZFLSAF-UHFFFAOYSA-N 0 1 384.479 2.505 20 0 GFADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nccn1-c1ccccc1 ZINC000366262894 563803499 /nfs/dbraw/zinc/80/34/99/563803499.db2.gz OBFLPSBNIUVNDI-JTQLQIEISA-N 0 1 377.520 2.982 20 0 GFADMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766277 563811595 /nfs/dbraw/zinc/81/15/95/563811595.db2.gz ULFIXOLATLHSOF-OTYXRUKQSA-N 0 1 393.734 2.864 20 0 GFADMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443780127 563812601 /nfs/dbraw/zinc/81/26/01/563812601.db2.gz MXGGPLXVLIAMBZ-SNVBAGLBSA-N 0 1 381.723 2.817 20 0 GFADMN Cc1nc(S(=O)(=O)NCCc2cccc(F)c2)sc1Br ZINC000443887606 563814047 /nfs/dbraw/zinc/81/40/47/563814047.db2.gz HPDGQAXPRZQSHN-UHFFFAOYSA-N 0 1 379.276 2.874 20 0 GFADMN CN(Cc1cnn(-c2cccc(Cl)c2)c1)C[C@H](O)COCC(F)(F)F ZINC000366611329 563815269 /nfs/dbraw/zinc/81/52/69/563815269.db2.gz MBTJNCCRGNRWSS-HNNXBMFYSA-N 0 1 377.794 2.897 20 0 GFADMN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC1CC(N2CCCCC2)C1 ZINC000366698629 563817711 /nfs/dbraw/zinc/81/77/11/563817711.db2.gz JBKWTYVWTWPLMN-UHFFFAOYSA-N 0 1 384.929 2.637 20 0 GFADMN O=C(CCCOc1ccccc1Br)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000366734388 563818307 /nfs/dbraw/zinc/81/83/07/563818307.db2.gz CKISYUMNTQLEII-LBPRGKRZSA-N 0 1 394.273 2.527 20 0 GFADMN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000366737397 563818401 /nfs/dbraw/zinc/81/84/01/563818401.db2.gz IWDYLTPDVSZBPH-QMMMGPOBSA-N 0 1 390.658 2.945 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1SC)c1ccc(OC)cc1 ZINC000444071660 563819970 /nfs/dbraw/zinc/81/99/70/563819970.db2.gz CLBLDWFDCHLGBN-MRXNPFEDSA-N 0 1 381.475 2.610 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC([C@@H]2CCOC2)C1 ZINC000366850480 563822065 /nfs/dbraw/zinc/82/20/65/563822065.db2.gz SCXAQMPASKDYSG-GFCCVEGCSA-N 0 1 376.254 2.948 20 0 GFADMN COCC1(O)CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000293728567 563822571 /nfs/dbraw/zinc/82/25/71/563822571.db2.gz GIXFBXHVYHFDPK-OAHLLOKOSA-N 0 1 392.721 2.783 20 0 GFADMN COc1cc(S(=O)(=O)NC2CCN(CCOC(C)C)CC2)ccc1Cl ZINC000416414292 563825037 /nfs/dbraw/zinc/82/50/37/563825037.db2.gz HRRCZSDFILMHRQ-UHFFFAOYSA-N 0 1 390.933 2.516 20 0 GFADMN CCS(=O)(=O)Nc1ccc(NC(=O)[C@]2(N(C)C)CCCSC2)cc1C ZINC000366956247 563826029 /nfs/dbraw/zinc/82/60/29/563826029.db2.gz 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O=C(CSc1nc2ccccc2o1)N1CCC(C2N=NC(=S)O2)CC1 ZINC000368510033 563872810 /nfs/dbraw/zinc/87/28/10/563872810.db2.gz HCEKKCHWOBCVBL-UHFFFAOYSA-N 0 1 376.463 2.998 20 0 GFADMN O=C(NCc1ccc(Br)cc1)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000368517994 563873053 /nfs/dbraw/zinc/87/30/53/563873053.db2.gz GHWCGKHDTIMHGJ-WBVHZDCISA-N 0 1 396.329 2.749 20 0 GFADMN CCn1nccc1S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000368697938 563877190 /nfs/dbraw/zinc/87/71/90/563877190.db2.gz FGXQCOPBSXSVQT-WMLDXEAASA-N 0 1 382.917 2.528 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000447263971 563878454 /nfs/dbraw/zinc/87/84/54/563878454.db2.gz KMZHQOWPADPQJJ-UHFFFAOYSA-N 0 1 381.841 2.591 20 0 GFADMN COCC[C@@]1(NCC(=O)Nc2ccc(Br)cc2Cl)CCOC1 ZINC000447398294 563881317 /nfs/dbraw/zinc/88/13/17/563881317.db2.gz SDEPLSLFXBJKCZ-OAHLLOKOSA-N 0 1 391.693 2.826 20 0 GFADMN Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)[nH]n1 ZINC000368951944 563882868 /nfs/dbraw/zinc/88/28/68/563882868.db2.gz SMPPVGOVKOCLDP-CQSZACIVSA-N 0 1 381.263 2.879 20 0 GFADMN C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3sccc3Br)C2)CC1 ZINC000368978244 563883556 /nfs/dbraw/zinc/88/35/56/563883556.db2.gz BLONEWWIIQTZGJ-CYBMUJFWSA-N 0 1 386.359 2.610 20 0 GFADMN Cn1cc([C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C(=O)[O-])cn1 ZINC000417598684 563885400 /nfs/dbraw/zinc/88/54/00/563885400.db2.gz NWRCENRYDSRHBV-GFCCVEGCSA-N 0 1 390.184 2.700 20 0 GFADMN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)c1Br ZINC000369056764 563885503 /nfs/dbraw/zinc/88/55/03/563885503.db2.gz HVLPWKNCJQKJRO-QWHCGFSZSA-N 0 1 399.333 2.526 20 0 GFADMN CN(C)[C@H](CNC(=O)CN1c2ccsc2CCCC1=O)c1cccs1 ZINC000369082010 563886268 /nfs/dbraw/zinc/88/62/68/563886268.db2.gz VFYAAGKHAPDSAJ-CQSZACIVSA-N 0 1 377.535 2.898 20 0 GFADMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCSC1 ZINC000447875372 563889589 /nfs/dbraw/zinc/88/95/89/563889589.db2.gz QLXYZCVICVHMAM-CYBMUJFWSA-N 0 1 386.436 2.560 20 0 GFADMN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(F)cc1I ZINC000417924453 563892153 /nfs/dbraw/zinc/89/21/53/563892153.db2.gz AKBFHCMDOWENNS-ZWNOBZJWSA-N 0 1 379.213 2.714 20 0 GFADMN CCO[C@H]1COCC[C@H]1NCc1ccc(F)cc1I ZINC000417992674 563894163 /nfs/dbraw/zinc/89/41/63/563894163.db2.gz OYHQVNZTDUTCBY-KGLIPLIRSA-N 0 1 379.213 2.714 20 0 GFADMN COC(=O)[C@@](C)(CNCc1c(Br)c(C)nn1C)c1ccc(F)cc1 ZINC000448369644 563896505 /nfs/dbraw/zinc/89/65/05/563896505.db2.gz APRZONUCYKOTPD-KRWDZBQOSA-N 0 1 398.276 2.851 20 0 GFADMN O=C1CC[C@@H](NCc2ccc(F)cc2I)[C@H](C2CC2)N1 ZINC000418049476 563896902 /nfs/dbraw/zinc/89/69/02/563896902.db2.gz XTCGFPFFJWJWJO-HIFRSBDPSA-N 0 1 388.224 2.577 20 0 GFADMN CN(C(=O)c1ccc(I)cc1F)[C@H]1CN2CCC1CC2 ZINC000448956329 563903778 /nfs/dbraw/zinc/90/37/78/563903778.db2.gz QAUIVRYMSSSHNH-AWEZNQCLSA-N 0 1 388.224 2.597 20 0 GFADMN CS(=O)(=O)NC[C@H]1CCCN(Cc2cnc(-c3ccccc3F)s2)C1 ZINC000448990263 563904807 /nfs/dbraw/zinc/90/48/07/563904807.db2.gz GSIUNFGIGVYZGD-CYBMUJFWSA-N 0 1 383.514 2.710 20 0 GFADMN CC(C)COc1ccccc1CNC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000449194459 563907748 /nfs/dbraw/zinc/90/77/48/563907748.db2.gz SMJHXANHUAAZPM-INIZCTEOSA-N 0 1 383.535 2.707 20 0 GFADMN COc1nccc(CNCCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000449237786 563908089 /nfs/dbraw/zinc/90/80/89/563908089.db2.gz DDILMAPNAARZIL-UHFFFAOYSA-N 0 1 379.258 2.675 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNc1cc(OC)ccn1 ZINC000449203891 563908177 /nfs/dbraw/zinc/90/81/77/563908177.db2.gz IOFQQSKJZUFWDH-NSHDSACASA-N 0 1 394.269 2.978 20 0 GFADMN C[C@H](NCc1ccc(I)cc1)C(=O)NCc1ccco1 ZINC000449225960 563908289 /nfs/dbraw/zinc/90/82/89/563908289.db2.gz PNISUGRVGBHPCN-NSHDSACASA-N 0 1 384.217 2.679 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cccc(Br)c1F ZINC000449248706 564177905 /nfs/dbraw/zinc/17/79/05/564177905.db2.gz JVLXJAMYDRXDPI-OLZOCXBDSA-N 0 1 379.295 2.538 20 0 GFADMN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(Br)c(F)c1 ZINC000537938529 564178211 /nfs/dbraw/zinc/17/82/11/564178211.db2.gz DCXCURAHTSVHKI-SNVBAGLBSA-N 0 1 381.311 2.957 20 0 GFADMN COc1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000537951322 564178666 /nfs/dbraw/zinc/17/86/66/564178666.db2.gz IGVAGZZYGGNSRT-AAEUAGOBSA-N 0 1 389.926 2.896 20 0 GFADMN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1cc(Cl)sc1Cl ZINC000449331271 564180576 /nfs/dbraw/zinc/18/05/76/564180576.db2.gz XXFDSPVFXYZEIZ-NSHDSACASA-N 0 1 386.370 2.805 20 0 GFADMN O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(Cc2cc(Br)cc3c2OCC3)C1 ZINC000449433860 564187012 /nfs/dbraw/zinc/18/70/12/564187012.db2.gz ODEOVGVGERIHTA-KBRIMQKVSA-N 0 1 382.298 2.746 20 0 GFADMN O=C(N1CC[C@H](N2CCCC2)C1)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000538345156 564188967 /nfs/dbraw/zinc/18/89/67/564188967.db2.gz DWBCWHFAXKWOFN-INIZCTEOSA-N 0 1 391.309 2.747 20 0 GFADMN CCN1CCCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000471274092 564190731 /nfs/dbraw/zinc/19/07/31/564190731.db2.gz UIHZHMBOKNEBIB-UHFFFAOYSA-N 0 1 394.203 2.737 20 0 GFADMN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000563444804 564191569 /nfs/dbraw/zinc/19/15/69/564191569.db2.gz QSIRLKKMSHVEJJ-UHFFFAOYSA-N 0 1 379.258 2.893 20 0 GFADMN O=C1CCCN1[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000563435730 564191849 /nfs/dbraw/zinc/19/18/49/564191849.db2.gz BLTGTDLTWGRHDA-MNOVXSKESA-N 0 1 392.855 2.830 20 0 GFADMN COc1cc(Cl)c(CN2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481654 564193303 /nfs/dbraw/zinc/19/33/03/564193303.db2.gz FWCNEYQUJTURBU-GTNSWQLSSA-N 0 1 386.279 2.955 20 0 GFADMN O[C@@H]([C@@H]1CCN(Cc2c(Cl)cccc2N2CCOCC2)C1)C(F)(F)F ZINC000449671897 564193989 /nfs/dbraw/zinc/19/39/89/564193989.db2.gz LAYBJUKDUZMTDP-WBMJQRKESA-N 0 1 378.822 2.922 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cn1 ZINC000506584671 564205430 /nfs/dbraw/zinc/20/54/30/564205430.db2.gz MSISXKGNKKLMRG-UHFFFAOYSA-N 0 1 376.463 2.776 20 0 GFADMN O=C(Cc1ncccc1F)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000471888873 564205952 /nfs/dbraw/zinc/20/59/52/564205952.db2.gz MUXQGERTPKTICW-UHFFFAOYSA-N 0 1 376.189 2.950 20 0 GFADMN C[C@H](CNC(=O)c1c(Cl)cc(F)cc1Br)N1CCN(C)CC1 ZINC000449888347 564207486 /nfs/dbraw/zinc/20/74/86/564207486.db2.gz MTKBJEBFMAVJGM-SNVBAGLBSA-N 0 1 392.700 2.607 20 0 GFADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC[C@H]1CS(=O)(=O)CCO1 ZINC000539056353 564208336 /nfs/dbraw/zinc/20/83/36/564208336.db2.gz HPUCGXORODORJY-GOEBONIOSA-N 0 1 375.918 2.839 20 0 GFADMN CCO[C@@H]1C[C@@H]1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000563857018 564209528 /nfs/dbraw/zinc/20/95/28/564209528.db2.gz AIOIKHKELCMTSF-UONOGXRCSA-N 0 1 380.491 2.765 20 0 GFADMN Cc1nc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)sc1C(F)(F)F ZINC000563863116 564210101 /nfs/dbraw/zinc/21/01/01/564210101.db2.gz POGLAOHEZGBKMX-SECBINFHSA-N 0 1 380.436 2.779 20 0 GFADMN Cc1nc(C)n(Cc2cccc(NS(=O)(=O)c3cncc(Cl)c3)c2)n1 ZINC000507021865 564216069 /nfs/dbraw/zinc/21/60/69/564216069.db2.gz PAIXJESJNUDFLG-UHFFFAOYSA-N 0 1 377.857 2.792 20 0 GFADMN Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C)cc1Br ZINC000472323141 564220643 /nfs/dbraw/zinc/22/06/43/564220643.db2.gz SYRQLWMGMKTGNE-CHWSQXEVSA-N 0 1 387.343 2.969 20 0 GFADMN C[C@@H](CNc1ncc(Br)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000450300483 564225788 /nfs/dbraw/zinc/22/57/88/564225788.db2.gz DAGRKKWDUASRBD-JTQLQIEISA-N 0 1 381.240 2.911 20 0 GFADMN CN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1(C)C ZINC000564286051 564227546 /nfs/dbraw/zinc/22/75/46/564227546.db2.gz DCJQLENKQWOPEG-UHFFFAOYSA-N 0 1 378.523 2.552 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cc3cc(Br)cc(C)c3o2)C1 ZINC000507399882 564227641 /nfs/dbraw/zinc/22/76/41/564227641.db2.gz FWMJZVWOJZPBIE-CQSZACIVSA-N 0 1 381.270 2.954 20 0 GFADMN FC(F)(F)c1ccc(I)c(NCCCc2nc[nH]n2)n1 ZINC000450347295 564229145 /nfs/dbraw/zinc/22/91/45/564229145.db2.gz PBLMHXOCUGFIOB-UHFFFAOYSA-N 0 1 397.142 2.868 20 0 GFADMN COc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)cc(Cl)cc1C(N)=O ZINC000564462594 564234495 /nfs/dbraw/zinc/23/44/95/564234495.db2.gz MAXIRNHLWONDRB-UHFFFAOYSA-N 0 1 380.853 2.737 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(OC)c(Cl)c1 ZINC000472922370 564237525 /nfs/dbraw/zinc/23/75/25/564237525.db2.gz BQHBJMNFTOPGCT-HNNXBMFYSA-N 0 1 387.816 2.680 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000564542571 564238558 /nfs/dbraw/zinc/23/85/58/564238558.db2.gz HGXZVGMLXPFOBO-CYBMUJFWSA-N 0 1 394.313 2.557 20 0 GFADMN COC(=O)CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1CC1 ZINC000473377605 564245566 /nfs/dbraw/zinc/24/55/66/564245566.db2.gz ACQSPGMKSUPIDQ-UHFFFAOYSA-N 0 1 378.226 2.617 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ncccc2I)s1 ZINC000540696112 564254794 /nfs/dbraw/zinc/25/47/94/564254794.db2.gz KIMBNAWHGCHIRM-UHFFFAOYSA-N 0 1 380.232 2.857 20 0 GFADMN COC(=O)c1csc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000540868401 564258458 /nfs/dbraw/zinc/25/84/58/564258458.db2.gz SBMBPDGPKZRGCJ-UHFFFAOYSA-N 0 1 396.368 2.672 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1N(C)C ZINC000473935599 564258580 /nfs/dbraw/zinc/25/85/80/564258580.db2.gz BRRZRJUBRQWGSS-VHSXEESVSA-N 0 1 387.329 2.799 20 0 GFADMN CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)[C@H](C)C1 ZINC000508301131 564260148 /nfs/dbraw/zinc/26/01/48/564260148.db2.gz MJSLLYLHGVVLFD-MWLCHTKSSA-N 0 1 399.232 2.807 20 0 GFADMN Cc1nnc(SCCC(=O)N2CCC3(CC2)OCCc2ccsc23)[nH]1 ZINC000540915836 564260523 /nfs/dbraw/zinc/26/05/23/564260523.db2.gz SATFGVADQKZTSL-UHFFFAOYSA-N 0 1 378.523 2.747 20 0 GFADMN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)s1 ZINC000474443918 564278922 /nfs/dbraw/zinc/27/89/22/564278922.db2.gz FXBBZUZIWAWJDQ-UHFFFAOYSA-N 0 1 392.861 2.590 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)ccc1O ZINC000509088094 564281421 /nfs/dbraw/zinc/28/14/21/564281421.db2.gz ZEUBIFHZEQZMEB-NSHDSACASA-N 0 1 382.869 2.771 20 0 GFADMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000474581988 564282519 /nfs/dbraw/zinc/28/25/19/564282519.db2.gz XLOYXQCZTODGTN-GFCCVEGCSA-N 0 1 379.295 2.739 20 0 GFADMN CN(C)S(=O)(=O)CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000509139331 564283365 /nfs/dbraw/zinc/28/33/65/564283365.db2.gz NOLJGZRKDVPJCR-CQSZACIVSA-N 0 1 379.295 2.520 20 0 GFADMN CO[C@H](C)CS(=O)(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000509388820 564295564 /nfs/dbraw/zinc/29/55/64/564295564.db2.gz ZSGCHLLIDKMMRB-SSDOTTSWSA-N 0 1 387.330 2.994 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)N[C@H](CCO)c2ccccc2Br)n[nH]1 ZINC000541968208 564296457 /nfs/dbraw/zinc/29/64/57/564296457.db2.gz UVHGAHXMJRJYJD-MEDUHNTESA-N 0 1 395.301 2.835 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](CCO)c2ccccc2Br)n[nH]1 ZINC000541968206 564296805 /nfs/dbraw/zinc/29/68/05/564296805.db2.gz UVHGAHXMJRJYJD-BZNIZROVSA-N 0 1 395.301 2.835 20 0 GFADMN CCN(C)C(=O)[C@@H](NCC(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000451319257 564300061 /nfs/dbraw/zinc/30/00/61/564300061.db2.gz ZRPZCVFYWBOJAZ-INIZCTEOSA-N 0 1 384.318 2.789 20 0 GFADMN CC(C)N1C(=O)C[C@@H](N[C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542160527 564302966 /nfs/dbraw/zinc/30/29/66/564302966.db2.gz PUXWFJQYCQUFRZ-JGFGOQIWSA-N 0 1 390.908 2.552 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H](C)CN1C ZINC000509623633 564306283 /nfs/dbraw/zinc/30/62/83/564306283.db2.gz FHLTZJUNQGYFJV-MNOVXSKESA-N 0 1 378.270 2.868 20 0 GFADMN COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000509652729 564308163 /nfs/dbraw/zinc/30/81/63/564308163.db2.gz QKEVZZZBMUHXHI-UHFFFAOYSA-N 0 1 389.838 2.776 20 0 GFADMN C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)[C@H](C)CN1C ZINC000509651468 564308228 /nfs/dbraw/zinc/30/82/28/564308228.db2.gz KRHKNVZNKQSDKG-CHWSQXEVSA-N 0 1 383.945 2.805 20 0 GFADMN CC(C)n1ccc(C[C@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434247 564308867 /nfs/dbraw/zinc/30/88/67/564308867.db2.gz MMSKGHZLOUKXOH-BLLLJJGKSA-N 0 1 379.302 2.974 20 0 GFADMN O=S(=O)(Cc1ccccc1Cl)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000509765607 564311611 /nfs/dbraw/zinc/31/16/11/564311611.db2.gz HBLYAKSEGUVACY-MRXNPFEDSA-N 0 1 376.869 2.862 20 0 GFADMN O=C1NCC[C@H]1N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC000475688802 564316514 /nfs/dbraw/zinc/31/65/14/564316514.db2.gz PUORUXUHDITFJY-HZPDHXFCSA-N 0 1 399.354 2.914 20 0 GFADMN CO[C@@]1(C)C[C@@H](NCc2nnnn2-c2ccccc2Br)C1(C)C ZINC000451481958 564317830 /nfs/dbraw/zinc/31/78/30/564317830.db2.gz BWAVHSNCAHHYBB-CJNGLKHVSA-N 0 1 380.290 2.718 20 0 GFADMN O=C([C@H]1CCc2cc(Br)ccc21)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000566292733 564320572 /nfs/dbraw/zinc/32/05/72/564320572.db2.gz VMDDSWGVMZSUGR-AWEZNQCLSA-N 0 1 392.253 2.974 20 0 GFADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000475800886 564321315 /nfs/dbraw/zinc/32/13/15/564321315.db2.gz WLQZCQXJZOHPCO-CYBMUJFWSA-N 0 1 390.933 2.516 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000475883140 564323580 /nfs/dbraw/zinc/32/35/80/564323580.db2.gz QKQGDOHUYHLGFY-OLZOCXBDSA-N 0 1 394.320 2.714 20 0 GFADMN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000451545560 564325035 /nfs/dbraw/zinc/32/50/35/564325035.db2.gz HSBAUUXBTPLOOG-UHFFFAOYSA-N 0 1 390.278 2.839 20 0 GFADMN CCN(CC(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1)C1CC1 ZINC000476098510 564327114 /nfs/dbraw/zinc/32/71/14/564327114.db2.gz 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C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(F)c(I)c1 ZINC000556424284 564825194 /nfs/dbraw/zinc/82/51/94/564825194.db2.gz WOVACZYRSJLFCY-IUCAKERBSA-N 0 1 385.242 2.514 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)c1cc2c([nH]1)CCOC2 ZINC000582106866 564831209 /nfs/dbraw/zinc/83/12/09/564831209.db2.gz XDAUONDEOFYJLR-UHFFFAOYSA-N 0 1 375.226 2.656 20 0 GFADMN COc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000582147716 564832216 /nfs/dbraw/zinc/83/22/16/564832216.db2.gz DADQXIFZENQHJL-UHFFFAOYSA-N 0 1 375.368 2.941 20 0 GFADMN O=C([O-])C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1 ZINC000582186834 564834437 /nfs/dbraw/zinc/83/44/37/564834437.db2.gz SVGIONBUSWOVDL-INIZCTEOSA-N 0 1 394.265 2.776 20 0 GFADMN NC(=O)[C@H](Cc1ccc(F)cc1)NCc1cc(Br)cc2c1OCC2 ZINC000462376635 564836407 /nfs/dbraw/zinc/83/64/07/564836407.db2.gz RBEXITXAEDFPIL-INIZCTEOSA-N 0 1 393.256 2.709 20 0 GFADMN Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000582247066 564836812 /nfs/dbraw/zinc/83/68/12/564836812.db2.gz 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Cc1ccc(Br)c(S(=O)(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000497534678 564870370 /nfs/dbraw/zinc/87/03/70/564870370.db2.gz KZHLODUWGFOCRS-ZDUSSCGKSA-N 0 1 375.332 2.768 20 0 GFADMN Cc1[nH]ncc1CN1C(=O)N[C@]2(C[C@@]2(C)c2ccc(Br)cc2)C1=O ZINC000530191351 564870511 /nfs/dbraw/zinc/87/05/11/564870511.db2.gz VXTLICUBLYRKOB-DLBZAZTESA-N 0 1 389.253 2.633 20 0 GFADMN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1nc2ccc(Br)cc2o1 ZINC000463204619 564871704 /nfs/dbraw/zinc/87/17/04/564871704.db2.gz RSVRZCZEPPKSNA-IUODEOHRSA-N 0 1 380.286 2.885 20 0 GFADMN C[C@@H]1COCC[C@H]1CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000557652874 564871729 /nfs/dbraw/zinc/87/17/29/564871729.db2.gz SVGXFTJYUQTALR-MNOVXSKESA-N 0 1 379.254 2.693 20 0 GFADMN O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000557812375 564877557 /nfs/dbraw/zinc/87/75/57/564877557.db2.gz SYUWSNNIZGMQBX-LLVKDONJSA-N 0 1 382.379 2.583 20 0 GFADMN CN(CCN1CCCC1)C(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000583234556 564881465 /nfs/dbraw/zinc/88/14/65/564881465.db2.gz 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O=C(Cc1ccc(Br)c(Cl)c1)NC1(c2nn[nH]n2)CCCC1 ZINC000682503199 566159727 /nfs/dbraw/zinc/15/97/27/566159727.db2.gz XHXNBGAUJROYPS-UHFFFAOYSA-N 0 1 384.665 2.744 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682575514 566164119 /nfs/dbraw/zinc/16/41/19/566164119.db2.gz QYELHFYASYZRCW-NSHDSACASA-N 0 1 386.196 2.681 20 0 GFADMN CC(C)[C@H](CN[C@@H](C(N)=O)c1ccc(Br)cc1F)c1ccnn1C ZINC000682614242 566166148 /nfs/dbraw/zinc/16/61/48/566166148.db2.gz UPCWVJRFENPTGC-XJKSGUPXSA-N 0 1 397.292 2.878 20 0 GFADMN C[C@H](NC[C@H](O)CC1(O)CCOCC1)c1cc(F)c(Br)cc1F ZINC000634722948 566173839 /nfs/dbraw/zinc/17/38/39/566173839.db2.gz XQGJGRVIOZVKIH-WDEREUQCSA-N 0 1 394.256 2.670 20 0 GFADMN O=S(=O)(c1ccccc1O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000656883318 566174891 /nfs/dbraw/zinc/17/48/91/566174891.db2.gz BFCBQIKHDFZQRV-HNNXBMFYSA-N 0 1 398.278 2.917 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000635020364 566190036 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C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1)N(C)C ZINC000635463542 566214313 /nfs/dbraw/zinc/21/43/13/566214313.db2.gz QTKSLQQWVNLGEO-GFCCVEGCSA-N 0 1 382.302 2.576 20 0 GFADMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000657060160 566214758 /nfs/dbraw/zinc/21/47/58/566214758.db2.gz FZDKZHBUYJLZRY-JTQLQIEISA-N 0 1 384.395 2.875 20 0 GFADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000684105195 566227847 /nfs/dbraw/zinc/22/78/47/566227847.db2.gz ZKHRUAMSPATHJB-LBPRGKRZSA-N 0 1 376.906 2.510 20 0 GFADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCCn1cc(Br)cn1 ZINC000684322359 566233126 /nfs/dbraw/zinc/23/31/26/566233126.db2.gz XWJFUTWKPCCYCF-UHFFFAOYSA-N 0 1 394.195 2.906 20 0 GFADMN Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186669042 570311231 /nfs/dbraw/zinc/31/12/31/570311231.db2.gz IAPHAUOZFXFVGM-KRWDZBQOSA-N 0 1 383.492 2.792 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000275587011 570697296 /nfs/dbraw/zinc/69/72/96/570697296.db2.gz HCWPKKOBXQRORJ-UHFFFAOYSA-N 0 1 376.350 2.856 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000275821117 570699963 /nfs/dbraw/zinc/69/99/63/570699963.db2.gz WBHZMHGOXRENGW-UHFFFAOYSA-N 0 1 383.286 2.769 20 0 GFADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000737524688 598850191 /nfs/dbraw/zinc/85/01/91/598850191.db2.gz PVENRWSFBNGAKY-CQSZACIVSA-N 0 1 392.389 2.665 20 0 GFADMN Cc1cc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)n[nH]1 ZINC000737263154 598890759 /nfs/dbraw/zinc/89/07/59/598890759.db2.gz DAJKSGWMZVPVKQ-UHFFFAOYSA-N 0 1 394.464 2.626 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000737032323 598890850 /nfs/dbraw/zinc/89/08/50/598890850.db2.gz KUNCPIKDHOZMLT-INIZCTEOSA-N 0 1 394.435 2.700 20 0 GFADMN C[NH+](C)CCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736759496 598891570 /nfs/dbraw/zinc/89/15/70/598891570.db2.gz SPRWLTRVGAAPCB-UHFFFAOYSA-N 0 1 384.509 2.943 20 0 GFADMN COc1cccc([C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+](C)C)c1 ZINC000737129079 598934917 /nfs/dbraw/zinc/93/49/17/598934917.db2.gz YKWZNIAZPHOCLI-QGZVFWFLSA-N 0 1 390.451 2.533 20 0 GFADMN COc1cccc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+](C)C)c1 ZINC000737129079 598934920 /nfs/dbraw/zinc/93/49/20/598934920.db2.gz YKWZNIAZPHOCLI-QGZVFWFLSA-N 0 1 390.451 2.533 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736268903 598992012 /nfs/dbraw/zinc/99/20/12/598992012.db2.gz VLFZGOXSBRXPAH-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736268903 598992014 /nfs/dbraw/zinc/99/20/14/598992014.db2.gz VLFZGOXSBRXPAH-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736268903 598992015 /nfs/dbraw/zinc/99/20/15/598992015.db2.gz VLFZGOXSBRXPAH-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736268903 598992017 /nfs/dbraw/zinc/99/20/17/598992017.db2.gz VLFZGOXSBRXPAH-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)c2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000737185663 599055868 /nfs/dbraw/zinc/05/58/68/599055868.db2.gz ATENNQJJCMIBPF-NSHDSACASA-N 0 1 384.465 2.531 20 0 GFADMN CN(Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736818771 599083316 /nfs/dbraw/zinc/08/33/16/599083316.db2.gz BBFPVVMTBPNAPP-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736008822 599267954 /nfs/dbraw/zinc/26/79/54/599267954.db2.gz BKMCKQHIIPMBLX-CQSZACIVSA-N 0 1 398.902 2.538 20 0 GFADMN CCCN(CCOc1ccccc1-c1nn[nH]n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000736481707 598251270 /nfs/dbraw/zinc/25/12/70/598251270.db2.gz ZQQPCQXFYHGMOS-INIZCTEOSA-N 0 1 394.479 2.985 20 0 GFADMN FC(F)(F)Cn1ccnc1CNCCSCc1ccccc1-c1nn[nH]n1 ZINC000737628028 598285272 /nfs/dbraw/zinc/28/52/72/598285272.db2.gz UGYTXOBXMDZUSA-UHFFFAOYSA-N 0 1 397.430 2.649 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000737548980 598466852 /nfs/dbraw/zinc/46/68/52/598466852.db2.gz SPLDEKGYKPOOLE-ZIAGYGMSSA-N 0 1 397.483 2.552 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000737548980 598466854 /nfs/dbraw/zinc/46/68/54/598466854.db2.gz SPLDEKGYKPOOLE-ZIAGYGMSSA-N 0 1 397.483 2.552 20 0 GFADMN CC(C)C[C@H](C)CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735762245 598495878 /nfs/dbraw/zinc/49/58/78/598495878.db2.gz VMLMXZQKIAFTQT-KRWDZBQOSA-N 0 1 384.528 2.973 20 0 GFADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132971 598596172 /nfs/dbraw/zinc/59/61/72/598596172.db2.gz QTRBVHPYLHQNDM-ZIAGYGMSSA-N 0 1 382.443 2.704 20 0 GFADMN Clc1cc(NCCN2CCN(c3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000737562928 598639519 /nfs/dbraw/zinc/63/95/19/598639519.db2.gz ANCHYRNZGZDPQC-UHFFFAOYSA-N 0 1 383.887 2.754 20 0 GFADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737797065 598697688 /nfs/dbraw/zinc/69/76/88/598697688.db2.gz DCCJKWZQMRNYNN-YVMONPNESA-N 0 1 379.811 2.726 20 0 GFADMN C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135848 598712479 /nfs/dbraw/zinc/71/24/79/598712479.db2.gz YTRDGDMGTDZTKG-WBMJQRKESA-N 0 1 382.855 2.976 20 0 GFADMN CCCCCC[C@@H](C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736446291 598719469 /nfs/dbraw/zinc/71/94/69/598719469.db2.gz PFRNFLDPYDCMKP-CQSZACIVSA-N 0 1 382.468 2.657 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1F ZINC000737980281 598722017 /nfs/dbraw/zinc/72/20/17/598722017.db2.gz BJGANKWFSXJCAU-UHFFFAOYSA-N 0 1 398.785 2.613 20 0 GFADMN C[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736104672 598742228 /nfs/dbraw/zinc/74/22/28/598742228.db2.gz IFQCPOFFPYPOJG-JTQLQIEISA-N 0 1 397.826 2.653 20 0 GFADMN O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1ccccc1-c1nn[nH]n1 ZINC000823589393 599307892 /nfs/dbraw/zinc/30/78/92/599307892.db2.gz XSEMRQSQOXTQOB-UHFFFAOYSA-N 0 1 394.416 2.855 20 0 GFADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000823583164 599308570 /nfs/dbraw/zinc/30/85/70/599308570.db2.gz JVBKPBNWKOCAJP-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN CCOc1cccc(N2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000736654321 599320032 /nfs/dbraw/zinc/32/00/32/599320032.db2.gz KCGZQGXBMMZKND-OAHLLOKOSA-N 0 1 379.468 2.544 20 0 GFADMN C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)N(C)Cc1ccccc1 ZINC000735550206 599371619 /nfs/dbraw/zinc/37/16/19/599371619.db2.gz GCOSBRPUFPNZEX-CQSZACIVSA-N 0 1 381.484 2.882 20 0 GFADMN C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820431836 599371632 /nfs/dbraw/zinc/37/16/32/599371632.db2.gz IPGORFUXHSYTDZ-IFXJQAMLSA-N 0 1 392.463 2.835 20 0 GFADMN C[C@@H]1CN(C(C)(C)CNc2cc(-c3nn[nH]n3)c3ccccc3n2)C[C@@H](C)O1 ZINC000736292984 599401603 /nfs/dbraw/zinc/40/16/03/599401603.db2.gz SJKXAMJTUHIGKT-ZIAGYGMSSA-N 0 1 381.484 2.715 20 0 GFADMN CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)o2)CC1)c1ccccc1 ZINC000820841706 599421286 /nfs/dbraw/zinc/42/12/86/599421286.db2.gz BZMFQEHDRRPCDH-SFHVURJKSA-N 0 1 394.479 2.734 20 0 GFADMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000819933444 599451701 /nfs/dbraw/zinc/45/17/01/599451701.db2.gz RRGNTECWXDCTCX-OAHLLOKOSA-N 0 1 384.440 2.815 20 0 GFADMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736057534 599474124 /nfs/dbraw/zinc/47/41/24/599474124.db2.gz WWASQKZOWPBNHI-AWEZNQCLSA-N 0 1 398.898 2.699 20 0 GFADMN Fc1cccc2c1SCC[C@H]2NCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737666410 599483040 /nfs/dbraw/zinc/48/30/40/599483040.db2.gz XLRWKBRGNHWJPA-OAHLLOKOSA-N 0 1 381.440 2.980 20 0 GFADMN c1csc(CC[NH+]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)c1 ZINC000823815340 599494301 /nfs/dbraw/zinc/49/43/01/599494301.db2.gz CWJIAZXRTUEZDN-UHFFFAOYSA-N 0 1 391.504 2.841 20 0 GFADMN c1csc(CC[NH+]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)c1 ZINC000823815340 599494303 /nfs/dbraw/zinc/49/43/03/599494303.db2.gz CWJIAZXRTUEZDN-UHFFFAOYSA-N 0 1 391.504 2.841 20 0 GFADMN c1csc(C([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c2cccs2)c1 ZINC000738453955 599599547 /nfs/dbraw/zinc/59/95/47/599599547.db2.gz ZYEGFYZIZOZPPS-LLVKDONJSA-N 0 1 398.521 2.607 20 0 GFADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000737011145 599755000 /nfs/dbraw/zinc/75/50/00/599755000.db2.gz UGIBZVZBHMKYHG-QGZVFWFLSA-N 0 1 389.496 2.501 20 0 GFADMN COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125814 599787877 /nfs/dbraw/zinc/78/78/77/599787877.db2.gz BHJYMBZCXFCDMF-VQTJNVASSA-N 0 1 394.471 2.870 20 0 GFADMN COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125814 599787879 /nfs/dbraw/zinc/78/78/79/599787879.db2.gz BHJYMBZCXFCDMF-VQTJNVASSA-N 0 1 394.471 2.870 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413227 599793342 /nfs/dbraw/zinc/79/33/42/599793342.db2.gz JCLXVJKBACPMNA-LBPRGKRZSA-N 0 1 397.497 2.574 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413227 599793343 /nfs/dbraw/zinc/79/33/43/599793343.db2.gz JCLXVJKBACPMNA-LBPRGKRZSA-N 0 1 397.497 2.574 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737668822 599811470 /nfs/dbraw/zinc/81/14/70/599811470.db2.gz XOXLWMPSTJCXJR-UHFFFAOYSA-N 0 1 376.434 2.612 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000737668822 599811471 /nfs/dbraw/zinc/81/14/71/599811471.db2.gz XOXLWMPSTJCXJR-UHFFFAOYSA-N 0 1 376.434 2.612 20 0 GFADMN O=C([O-])c1cccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000739273758 599867338 /nfs/dbraw/zinc/86/73/38/599867338.db2.gz NKKQWIQDQUFIIF-HXUWFJFHSA-N 0 1 386.423 2.908 20 0 GFADMN C[C@@H](C[N@H+](CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580077 599934239 /nfs/dbraw/zinc/93/42/39/599934239.db2.gz XKCZFXPXQGRQPJ-RCDICMHDSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@@H](C[N@@H+](CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580077 599934241 /nfs/dbraw/zinc/93/42/41/599934241.db2.gz XKCZFXPXQGRQPJ-RCDICMHDSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@H]1CN(CCOc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736808021 599960296 /nfs/dbraw/zinc/96/02/96/599960296.db2.gz HWQNNUCDUIAYED-LAUBAEHRSA-N 0 1 384.476 2.503 20 0 GFADMN C[C@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808021 599960299 /nfs/dbraw/zinc/96/02/99/599960299.db2.gz HWQNNUCDUIAYED-LAUBAEHRSA-N 0 1 384.476 2.503 20 0 GFADMN C[C@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808021 599960302 /nfs/dbraw/zinc/96/03/02/599960302.db2.gz HWQNNUCDUIAYED-LAUBAEHRSA-N 0 1 384.476 2.503 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738915604 599974572 /nfs/dbraw/zinc/97/45/72/599974572.db2.gz PXSSEHMMTYSWGG-HOCLYGCPSA-N 0 1 393.871 2.657 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738915604 599974573 /nfs/dbraw/zinc/97/45/73/599974573.db2.gz PXSSEHMMTYSWGG-HOCLYGCPSA-N 0 1 393.871 2.657 20 0 GFADMN COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)C2 ZINC000568772597 599978754 /nfs/dbraw/zinc/97/87/54/599978754.db2.gz XYEFPLWHNVENBW-HNNXBMFYSA-N 0 1 382.460 2.847 20 0 GFADMN O=C([O-])COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739824350 600007417 /nfs/dbraw/zinc/00/74/17/600007417.db2.gz SZUBXBYADAMTKW-SFHVURJKSA-N 0 1 397.475 2.836 20 0 GFADMN Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1C(=O)[O-] ZINC000738443987 600015082 /nfs/dbraw/zinc/01/50/82/600015082.db2.gz CYORMIFJDWNJMT-UHFFFAOYSA-N 0 1 383.448 2.847 20 0 GFADMN O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000740235933 600016963 /nfs/dbraw/zinc/01/69/63/600016963.db2.gz UXVTUHCVMWJIJM-QGZVFWFLSA-N 0 1 380.510 2.708 20 0 GFADMN CCN(CC(=O)[O-])Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000737078802 600028123 /nfs/dbraw/zinc/02/81/23/600028123.db2.gz CNLXHHGLVXHDSQ-GFCCVEGCSA-N 0 1 381.477 2.529 20 0 GFADMN Cc1cc(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1C(=O)[O-] ZINC000738415281 600043758 /nfs/dbraw/zinc/04/37/58/600043758.db2.gz JFGRDQSRLKSTPP-UHFFFAOYSA-N 0 1 397.475 2.788 20 0 GFADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000736202220 600089378 /nfs/dbraw/zinc/08/93/78/600089378.db2.gz ZMLPQHUCOWKUTD-ZDUSSCGKSA-N 0 1 397.313 2.635 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])cc1 ZINC000738553762 600160953 /nfs/dbraw/zinc/16/09/53/600160953.db2.gz HAPRGQRIBFHCGN-VQTJNVASSA-N 0 1 381.476 2.587 20 0 GFADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736759748 600179006 /nfs/dbraw/zinc/17/90/06/600179006.db2.gz KDHRNSHYSCGCOK-HBGVWJBISA-N 0 1 378.472 2.903 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000737168923 600182125 /nfs/dbraw/zinc/18/21/25/600182125.db2.gz YCAHSRIPVPLADF-GUYCJALGSA-N 0 1 381.448 2.782 20 0 GFADMN O=C([O-])CCc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)s1 ZINC000739773329 600204005 /nfs/dbraw/zinc/20/40/05/600204005.db2.gz PTTHLDPHBZBIDZ-ZDUSSCGKSA-N 0 1 392.456 2.545 20 0 GFADMN C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737411916 600209680 /nfs/dbraw/zinc/20/96/80/600209680.db2.gz DRQJNSQLTXCIBR-OAQYLSRUSA-N 0 1 397.475 2.610 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCCC[C@@H]3C[NH+]3CCOCC3)c12 ZINC000738361204 600239701 /nfs/dbraw/zinc/23/97/01/600239701.db2.gz DEWNKLZOQSNCDX-CQSZACIVSA-N 0 1 390.509 2.697 20 0 GFADMN COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCC(=O)N(C)CC(=O)[O-] ZINC000737917479 600297137 /nfs/dbraw/zinc/29/71/37/600297137.db2.gz IHVCDZSLYDFRAQ-AWEZNQCLSA-N 0 1 399.285 2.528 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248898975 600309859 /nfs/dbraw/zinc/30/98/59/600309859.db2.gz WLHAHTCKGGFGPY-IAGOWNOFSA-N 0 1 394.537 2.968 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736789485 600311481 /nfs/dbraw/zinc/31/14/81/600311481.db2.gz NRRGVYULSAJQSN-FUHWJXTLSA-N 0 1 394.537 2.801 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000736783702 600314434 /nfs/dbraw/zinc/31/44/34/600314434.db2.gz HGMUFTOTOLBVPL-ZIAGYGMSSA-N 0 1 380.514 2.889 20 0 GFADMN O=C([O-])NCc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000739987628 600353045 /nfs/dbraw/zinc/35/30/45/600353045.db2.gz CAUUUPMHPBXJEC-UHFFFAOYSA-N 0 1 382.464 2.846 20 0 GFADMN C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000736573863 600375141 /nfs/dbraw/zinc/37/51/41/600375141.db2.gz XSZACWIXHWQMKT-GFCCVEGCSA-N 0 1 375.450 2.591 20 0 GFADMN CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737394918 600390247 /nfs/dbraw/zinc/39/02/47/600390247.db2.gz PAHWTYKXGSGIAX-XJKSGUPXSA-N 0 1 387.402 2.814 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737439403 600401776 /nfs/dbraw/zinc/40/17/76/600401776.db2.gz NTSBXLHXFUQNSN-GOSISDBHSA-N 0 1 377.462 2.617 20 0 GFADMN CC[N@H+](CCC(=O)[O-])CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000737096683 600426051 /nfs/dbraw/zinc/42/60/51/600426051.db2.gz AGAMSWGMCKOCKG-HXUWFJFHSA-N 0 1 395.459 2.946 20 0 GFADMN CC[N@@H+](CCC(=O)[O-])CN1C(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000737096683 600426052 /nfs/dbraw/zinc/42/60/52/600426052.db2.gz AGAMSWGMCKOCKG-HXUWFJFHSA-N 0 1 395.459 2.946 20 0 GFADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000736465845 600444857 /nfs/dbraw/zinc/44/48/57/600444857.db2.gz LUGCEWRYZUBKEJ-UHFFFAOYSA-N 0 1 377.304 2.654 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])C(C)C)c(OC)c1 ZINC000737986965 600445230 /nfs/dbraw/zinc/44/52/30/600445230.db2.gz OFYODGFHKURJGA-KRWDZBQOSA-N 0 1 378.469 2.552 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000737868425 600454843 /nfs/dbraw/zinc/45/48/43/600454843.db2.gz SKZUUYCLOUMCGO-UWJYYQICSA-N 0 1 375.465 2.955 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737521224 600464018 /nfs/dbraw/zinc/46/40/18/600464018.db2.gz NOXFFNOSKGNURW-ZIAGYGMSSA-N 0 1 394.518 2.847 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000736640447 600512879 /nfs/dbraw/zinc/51/28/79/600512879.db2.gz LCOMEFINPORNEA-WMZOPIPTSA-N 0 1 384.476 2.973 20 0 GFADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H](NC(=O)[O-])C(C)C)CCC[N@H+]2C)cc1 ZINC000737980631 600572180 /nfs/dbraw/zinc/57/21/80/600572180.db2.gz JEHOASLZZCZKJJ-RYQLBKOJSA-N 0 1 378.469 2.914 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)N(CC(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000156345953 600605322 /nfs/dbraw/zinc/60/53/22/600605322.db2.gz ZVDBURXAXSMLAK-UHFFFAOYSA-N 0 1 385.439 2.699 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000736750692 600643542 /nfs/dbraw/zinc/64/35/42/600643542.db2.gz REQIQMMVRTUTIF-IYBDPMFKSA-N 0 1 391.512 2.706 20 0 GFADMN Cc1ccc([C@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000832923349 600707856 /nfs/dbraw/zinc/70/78/56/600707856.db2.gz YDCKMAKJYYPVLG-SFTDATJTSA-N 0 1 396.487 2.571 20 0 GFADMN Cc1ccc([C@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000832923349 600707858 /nfs/dbraw/zinc/70/78/58/600707858.db2.gz YDCKMAKJYYPVLG-SFTDATJTSA-N 0 1 396.487 2.571 20 0 GFADMN Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC000832903000 600722523 /nfs/dbraw/zinc/72/25/23/600722523.db2.gz RSZGITLTMLLXNC-WBVHZDCISA-N 0 1 388.489 2.807 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000285097096 600726739 /nfs/dbraw/zinc/72/67/39/600726739.db2.gz OJIGBWPNGNHMHK-SFHVURJKSA-N 0 1 376.478 2.583 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1C(=O)[O-] ZINC000832954777 600774012 /nfs/dbraw/zinc/77/40/12/600774012.db2.gz POMPLZCUCHGWRW-UHFFFAOYSA-N 0 1 380.510 2.580 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C(=O)[O-] ZINC000832955545 600774148 /nfs/dbraw/zinc/77/41/48/600774148.db2.gz NBDSBCNIYYUSHA-OWCLPIDISA-N 0 1 380.510 2.719 20 0 GFADMN C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828500676 600812770 /nfs/dbraw/zinc/81/27/70/600812770.db2.gz WJFZLKKHJJGAMM-AAEUAGOBSA-N 0 1 381.885 2.739 20 0 GFADMN C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828500676 600812773 /nfs/dbraw/zinc/81/27/73/600812773.db2.gz WJFZLKKHJJGAMM-AAEUAGOBSA-N 0 1 381.885 2.739 20 0 GFADMN COc1cc(C[N@H+](CC(=O)[O-])C[C@@H](O)c2cccc(Cl)c2)cc(OC)c1 ZINC000831990027 600821468 /nfs/dbraw/zinc/82/14/68/600821468.db2.gz UZPOALNDJPWGGE-GOSISDBHSA-N 0 1 379.840 2.977 20 0 GFADMN CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000830434247 600821838 /nfs/dbraw/zinc/82/18/38/600821838.db2.gz CLMINHYVTVMCCG-AWEZNQCLSA-N 0 1 378.860 2.908 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000830478190 600852458 /nfs/dbraw/zinc/85/24/58/600852458.db2.gz MCUKPECHKNHMOW-PXNSSMCTSA-N 0 1 382.460 2.936 20 0 GFADMN CCc1[nH]c(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000737240955 600864176 /nfs/dbraw/zinc/86/41/76/600864176.db2.gz LGHVKAHVMDPLCQ-OAHLLOKOSA-N 0 1 398.507 2.524 20 0 GFADMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cs1 ZINC000830313943 600945069 /nfs/dbraw/zinc/94/50/69/600945069.db2.gz GYGPLKGTYYSREZ-JKSUJKDBSA-N 0 1 393.553 2.925 20 0 GFADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000826114549 600970333 /nfs/dbraw/zinc/97/03/33/600970333.db2.gz QQTCDIAWTDCNEP-QFIPXVFZSA-N 0 1 382.460 2.624 20 0 GFADMN O=C([O-])c1sc2cccc(F)c2c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000738713758 600976278 /nfs/dbraw/zinc/97/62/78/600976278.db2.gz LKJAHAJGKTXTRH-CYBMUJFWSA-N 0 1 378.469 2.893 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000737867817 600979100 /nfs/dbraw/zinc/97/91/00/600979100.db2.gz QLGWIIUERGQPFQ-IEBWSBKVSA-N 0 1 385.460 2.698 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000248570200 600986046 /nfs/dbraw/zinc/98/60/46/600986046.db2.gz ROLGTMICZYPIRK-KBMXLJTQSA-N 0 1 387.505 2.673 20 0 GFADMN C[C@H](O)C[N@@H+](C)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000827796627 600999725 /nfs/dbraw/zinc/99/97/25/600999725.db2.gz ZSLJBWBBVDFAGQ-MEDUHNTESA-N 0 1 375.296 2.896 20 0 GFADMN C[C@H](O)C[N@@H+](C)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000827796628 600999746 /nfs/dbraw/zinc/99/97/46/600999746.db2.gz ZSLJBWBBVDFAGQ-ZBEGNZNMSA-N 0 1 375.296 2.896 20 0 GFADMN C[N@H+]1CCC[C@@H](N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)C1 ZINC000830935167 601011190 /nfs/dbraw/zinc/01/11/90/601011190.db2.gz RAKOAAWHPBDYIG-RHSMWYFYSA-N 0 1 386.323 2.831 20 0 GFADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000833195533 601035865 /nfs/dbraw/zinc/03/58/65/601035865.db2.gz GJTBRVSRTVHVRP-GZQZNAIASA-N 0 1 392.546 2.992 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000831371175 601042233 /nfs/dbraw/zinc/04/22/33/601042233.db2.gz UTXMKJXNHQUCEL-WBMJQRKESA-N 0 1 394.493 2.572 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000831371175 601042235 /nfs/dbraw/zinc/04/22/35/601042235.db2.gz UTXMKJXNHQUCEL-WBMJQRKESA-N 0 1 394.493 2.572 20 0 GFADMN C[C@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000828289849 601046846 /nfs/dbraw/zinc/04/68/46/601046846.db2.gz NVPFXPYHCRJFJA-KRWDZBQOSA-N 0 1 381.476 2.920 20 0 GFADMN CC(C)C[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000424378248 601047197 /nfs/dbraw/zinc/04/71/97/601047197.db2.gz FYALARNEFDPIFG-WBVHZDCISA-N 0 1 377.485 2.948 20 0 GFADMN CN(C)c1cc(CNCc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2n1 ZINC000821588090 607486406 /nfs/dbraw/zinc/48/64/06/607486406.db2.gz AKEOSYWVQLWSDK-UHFFFAOYSA-N 0 1 377.427 2.910 20 0 GFADMN Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C(=O)[O-] ZINC000832946571 601140776 /nfs/dbraw/zinc/14/07/76/601140776.db2.gz GHPXGYYKAHTQCT-UHFFFAOYSA-N 0 1 396.491 2.762 20 0 GFADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1cccc(F)c1 ZINC000833162985 601185553 /nfs/dbraw/zinc/18/55/53/601185553.db2.gz DETKSUUQEBGISH-DLBZAZTESA-N 0 1 376.472 2.840 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1C(=O)[O-] ZINC000830478193 601195223 /nfs/dbraw/zinc/19/52/23/601195223.db2.gz MEDCBLIVSCQAGU-PBHICJAKSA-N 0 1 388.489 2.997 20 0 GFADMN CC(C)C[C@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000826785821 601195253 /nfs/dbraw/zinc/19/52/53/601195253.db2.gz FLJIYYZXJDBTDB-SXLOBPIMSA-N 0 1 389.540 2.587 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000831917709 601221810 /nfs/dbraw/zinc/22/18/10/601221810.db2.gz IWZVOLAAPAHZCP-IAGOWNOFSA-N 0 1 375.396 2.719 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000831917709 601221811 /nfs/dbraw/zinc/22/18/11/601221811.db2.gz IWZVOLAAPAHZCP-IAGOWNOFSA-N 0 1 375.396 2.719 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000828214126 601225109 /nfs/dbraw/zinc/22/51/09/601225109.db2.gz IPKINFHOANTVHX-BSHMHQBXSA-N 0 1 392.521 2.810 20 0 GFADMN C[C@@H](CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000379608120 601261005 /nfs/dbraw/zinc/26/10/05/601261005.db2.gz MBTYPJVPTLWOSY-HNNXBMFYSA-N 0 1 376.478 2.574 20 0 GFADMN Nc1nc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nc(Nc2ccc(F)cc2)n1 ZINC000263576454 601311261 /nfs/dbraw/zinc/31/12/61/601311261.db2.gz QKVCYBICQWFPLK-GLQYFDAESA-N 0 1 386.431 2.554 20 0 GFADMN C[C@@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1N1CCOCC1 ZINC000828464342 601325047 /nfs/dbraw/zinc/32/50/47/601325047.db2.gz UDLXHWBPVDWBIX-RDTXWAMCSA-N 0 1 387.505 2.661 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1N1CCOCC1 ZINC000828464342 601325049 /nfs/dbraw/zinc/32/50/49/601325049.db2.gz UDLXHWBPVDWBIX-RDTXWAMCSA-N 0 1 387.505 2.661 20 0 GFADMN Cc1ccc(N2CC[N@@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@@H](C)C2)cc1C ZINC000832937646 601377982 /nfs/dbraw/zinc/37/79/82/601377982.db2.gz AQTIBVBRENODMS-ROUUACIJSA-N 0 1 387.524 2.526 20 0 GFADMN Cc1ccc(N2CC[N@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@@H](C)C2)cc1C ZINC000832937646 601377985 /nfs/dbraw/zinc/37/79/85/601377985.db2.gz AQTIBVBRENODMS-ROUUACIJSA-N 0 1 387.524 2.526 20 0 GFADMN CCN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)CC(F)(F)F ZINC000829688182 601380488 /nfs/dbraw/zinc/38/04/88/601380488.db2.gz WXZOPNQGWZHDBL-NSHDSACASA-N 0 1 393.431 2.591 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)CC(F)(F)F ZINC000829688182 601380491 /nfs/dbraw/zinc/38/04/91/601380491.db2.gz WXZOPNQGWZHDBL-NSHDSACASA-N 0 1 393.431 2.591 20 0 GFADMN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000832970603 601397596 /nfs/dbraw/zinc/39/75/96/601397596.db2.gz JGFNUANBVUKPBP-OAHLLOKOSA-N 0 1 393.447 2.746 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830856704 601423332 /nfs/dbraw/zinc/42/33/32/601423332.db2.gz PQVQJZISNCDINJ-WMZOPIPTSA-N 0 1 399.516 2.758 20 0 GFADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000833181129 601435170 /nfs/dbraw/zinc/43/51/70/601435170.db2.gz ZXLSHMGYMLTSOP-IAGOWNOFSA-N 0 1 376.522 2.988 20 0 GFADMN Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)c2ccccc2)cc1 ZINC000569583005 601461577 /nfs/dbraw/zinc/46/15/77/601461577.db2.gz FSPCCAAPFCVNCM-FUPPJEDESA-N 0 1 399.487 2.637 20 0 GFADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c2ccccc2)cc1 ZINC000569583005 601461580 /nfs/dbraw/zinc/46/15/80/601461580.db2.gz FSPCCAAPFCVNCM-FUPPJEDESA-N 0 1 399.487 2.637 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC000828266328 601507171 /nfs/dbraw/zinc/50/71/71/601507171.db2.gz TVKSVHXZGLNMFV-INIZCTEOSA-N 0 1 394.537 2.593 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C[C@@H]1C(=O)[O-] ZINC000828430879 601527982 /nfs/dbraw/zinc/52/79/82/601527982.db2.gz DYGFIFBTTCHTDO-VNHYZAJKSA-N 0 1 387.461 2.671 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000825903075 601539293 /nfs/dbraw/zinc/53/92/93/601539293.db2.gz ROVYZNMMRLADEC-VQIMIIECSA-N 0 1 387.480 2.939 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000825903075 601539297 /nfs/dbraw/zinc/53/92/97/601539297.db2.gz ROVYZNMMRLADEC-VQIMIIECSA-N 0 1 387.480 2.939 20 0 GFADMN COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000662236365 601541327 /nfs/dbraw/zinc/54/13/27/601541327.db2.gz VYNYIYDEIHWISI-LJQANCHMSA-N 0 1 388.851 2.649 20 0 GFADMN 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ZINC000833128825 601741514 /nfs/dbraw/zinc/74/15/14/601741514.db2.gz NUMRHMJAKHIMLU-UNEJAWRNSA-N 0 1 398.503 2.617 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)CC2)cs1 ZINC000833001245 601785964 /nfs/dbraw/zinc/78/59/64/601785964.db2.gz RVJJTZHAANHGKP-QGZVFWFLSA-N 0 1 379.526 2.813 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000826021263 601807413 /nfs/dbraw/zinc/80/74/13/601807413.db2.gz OLXXKNVFTCUGMV-ZDUSSCGKSA-N 0 1 391.468 2.730 20 0 GFADMN C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000237032616 601833207 /nfs/dbraw/zinc/83/32/07/601833207.db2.gz BOHCFAOXDKKHLK-INIZCTEOSA-N 0 1 382.869 2.619 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739101304 601897902 /nfs/dbraw/zinc/89/79/02/601897902.db2.gz BKFHBTDLUGWCRK-ZWKOTPCHSA-N 0 1 387.524 2.935 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000833222328 601925310 /nfs/dbraw/zinc/92/53/10/601925310.db2.gz VTJFWUSVSDLESB-CYBMUJFWSA-N 0 1 387.299 2.670 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000740370130 601926658 /nfs/dbraw/zinc/92/66/58/601926658.db2.gz WFHPGHOYSXMTFS-HOTGVXAUSA-N 0 1 377.510 2.630 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000740368821 601926753 /nfs/dbraw/zinc/92/67/53/601926753.db2.gz MKKWEVCGLDOVLI-ZNMIVQPWSA-N 0 1 391.434 2.784 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000263560683 601929009 /nfs/dbraw/zinc/92/90/09/601929009.db2.gz BPQMSSLFJFIKOP-GOSISDBHSA-N 0 1 377.441 2.608 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000263560683 601929011 /nfs/dbraw/zinc/92/90/11/601929011.db2.gz BPQMSSLFJFIKOP-GOSISDBHSA-N 0 1 377.441 2.608 20 0 GFADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)n(-c2ccccc2)n1 ZINC000263152295 601949273 /nfs/dbraw/zinc/94/92/73/601949273.db2.gz NWPASJXCOLTJLV-OAQYLSRUSA-N 0 1 384.480 2.905 20 0 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CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739385303 602148731 /nfs/dbraw/zinc/14/87/31/602148731.db2.gz RQEOQZSMNZNCBK-MAUKXSAKSA-N 0 1 376.501 2.716 20 0 GFADMN Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740183752 602182354 /nfs/dbraw/zinc/18/23/54/602182354.db2.gz KAUXAJWVLXGWGJ-PKOBYXMFSA-N 0 1 388.512 2.601 20 0 GFADMN CN(CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000739626714 602192885 /nfs/dbraw/zinc/19/28/85/602192885.db2.gz IZRCTOWYZWBCOM-UHFFFAOYSA-N 0 1 396.491 2.553 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C1CC[NH+](CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1 ZINC000740728898 602268500 /nfs/dbraw/zinc/26/85/00/602268500.db2.gz CSUAPUSWXSCZRU-PKOBYXMFSA-N 0 1 389.471 2.954 20 0 GFADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000740015460 602275007 /nfs/dbraw/zinc/27/50/07/602275007.db2.gz ARWUVFPXBMBADB-WMLDXEAASA-N 0 1 379.526 2.878 20 0 GFADMN 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O=C([O-])N1CCC([C@@H]([NH2+]C[C@@H](O)CN2CCCCC2)c2ccc(F)cc2)CC1 ZINC000834075957 605982998 /nfs/dbraw/zinc/98/29/98/605982998.db2.gz VRWWCALSLFUFEU-UXHICEINSA-N 0 1 393.503 2.693 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000834183945 606030514 /nfs/dbraw/zinc/03/05/14/606030514.db2.gz RCKRDJODPDXOQT-GJZGRUSLSA-N 0 1 385.386 2.538 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821970178 606129601 /nfs/dbraw/zinc/12/96/01/606129601.db2.gz KIZRVUVQLYOODZ-GHMZBOCLSA-N 0 1 384.465 2.611 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821970181 606129679 /nfs/dbraw/zinc/12/96/79/606129679.db2.gz KIZRVUVQLYOODZ-WDEREUQCSA-N 0 1 384.465 2.611 20 0 GFADMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563527 606159408 /nfs/dbraw/zinc/15/94/08/606159408.db2.gz RQXMWDDHJKURFH-PWFNWSNSSA-N 0 1 385.493 2.676 20 0 GFADMN O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1c(O)cc(Cl)cc1Cl ZINC000823215700 606197085 /nfs/dbraw/zinc/19/70/85/606197085.db2.gz QDYFGIBBTZKKLP-UHFFFAOYSA-N 0 1 394.218 2.688 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000822223634 606207567 /nfs/dbraw/zinc/20/75/67/606207567.db2.gz DZTVORNSPDQGIO-UHFFFAOYSA-N 0 1 387.465 2.979 20 0 GFADMN CCOc1cccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427546 606302875 /nfs/dbraw/zinc/30/28/75/606302875.db2.gz UUKMOWXIRMVOGE-WBMJQRKESA-N 0 1 398.492 2.783 20 0 GFADMN Cc1ccccc1[C@@H]1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822350179 606319678 /nfs/dbraw/zinc/31/96/78/606319678.db2.gz BEOAQJGCUBTKDT-PBHICJAKSA-N 0 1 394.504 2.831 20 0 GFADMN CCS[C@H]1CCCCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454953 606322239 /nfs/dbraw/zinc/32/22/39/606322239.db2.gz HVKVJOCIWDVBKT-JSGCOSHPSA-N 0 1 392.554 2.641 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1c(C)cccc1OC(F)F ZINC000822223782 606331335 /nfs/dbraw/zinc/33/13/35/606331335.db2.gz KDFVWCUNFRRPMR-UHFFFAOYSA-N 0 1 395.391 2.886 20 0 GFADMN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175898 606499858 /nfs/dbraw/zinc/49/98/58/606499858.db2.gz ODANQXIPQYBSOD-MRXNPFEDSA-N 0 1 382.493 2.713 20 0 GFADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3cccc(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000822270952 606540036 /nfs/dbraw/zinc/54/00/36/606540036.db2.gz FJUGCCIOGJSNEH-GOSISDBHSA-N 0 1 387.447 2.958 20 0 GFADMN O=C(c1cc(-c2nn[nH]n2)cs1)N1CCCN(CCCc2ccccc2)CC1 ZINC000823472177 606540820 /nfs/dbraw/zinc/54/08/20/606540820.db2.gz CHTZIGDGLYATDP-UHFFFAOYSA-N 0 1 396.520 2.709 20 0 GFADMN OCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)Cc1cccnc1 ZINC000823722999 606656052 /nfs/dbraw/zinc/65/60/52/606656052.db2.gz YMLHCTPKSWJDFY-UHFFFAOYSA-N 0 1 386.459 2.923 20 0 GFADMN C[C@@H]1CC/C(=C/C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)C1 ZINC000820674660 606807102 /nfs/dbraw/zinc/80/71/02/606807102.db2.gz FNBGFOKKPRXUJF-KECPUOCWSA-N 0 1 382.468 2.513 20 0 GFADMN CN(Cc1ccccc1OC(F)(F)F)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821615562 606850718 /nfs/dbraw/zinc/85/07/18/606850718.db2.gz CFSIURKXXLOOTF-HNNXBMFYSA-N 0 1 393.369 2.931 20 0 GFADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000823690047 606867438 /nfs/dbraw/zinc/86/74/38/606867438.db2.gz KTSOADHJTGJYMB-LJQANCHMSA-N 0 1 395.438 2.535 20 0 GFADMN COc1cccc([C@H](C)N2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC000821860121 607064262 /nfs/dbraw/zinc/06/42/62/607064262.db2.gz XIYFKIDCRRQQRV-HNNXBMFYSA-N 0 1 396.470 2.893 20 0 GFADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821188930 607131872 /nfs/dbraw/zinc/13/18/72/607131872.db2.gz GRAVWDNLAXQAPU-UHFFFAOYSA-N 0 1 390.538 2.974 20 0 GFADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821188930 607131873 /nfs/dbraw/zinc/13/18/73/607131873.db2.gz GRAVWDNLAXQAPU-UHFFFAOYSA-N 0 1 390.538 2.974 20 0 GFADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(C2CCCC2)CC1 ZINC000823315498 607203956 /nfs/dbraw/zinc/20/39/56/607203956.db2.gz YPLWDGOSVQKNMZ-UHFFFAOYSA-N 0 1 375.864 2.612 20 0 GFADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000823131293 607206700 /nfs/dbraw/zinc/20/67/00/607206700.db2.gz FHKDALLQOYRVJC-UHFFFAOYSA-N 0 1 386.375 2.510 20 0 GFADMN CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820073884 607220089 /nfs/dbraw/zinc/22/00/89/607220089.db2.gz WNXUBZMXOLSSEK-HNNXBMFYSA-N 0 1 376.509 2.548 20 0 GFADMN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669460 607923677 /nfs/dbraw/zinc/92/36/77/607923677.db2.gz YGKGRAYURPJANN-KGLIPLIRSA-N 0 1 375.498 2.759 20 0 GFADMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669460 607923678 /nfs/dbraw/zinc/92/36/78/607923678.db2.gz YGKGRAYURPJANN-KGLIPLIRSA-N 0 1 375.498 2.759 20 0 GFADMN CC[C@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825073663 608021833 /nfs/dbraw/zinc/02/18/33/608021833.db2.gz AFQJXGKQYMDESD-LBPRGKRZSA-N 0 1 382.472 2.508 20 0 GFADMN CC[C@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825073663 608021834 /nfs/dbraw/zinc/02/18/34/608021834.db2.gz AFQJXGKQYMDESD-LBPRGKRZSA-N 0 1 382.472 2.508 20 0 GFADMN COc1cccc(CCCN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826215944 608068236 /nfs/dbraw/zinc/06/82/36/608068236.db2.gz DBCYRDZXIXBCGF-FQEVSTJZSA-N 0 1 379.464 2.881 20 0 GFADMN CCC[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)N(C)C ZINC000825225271 608122067 /nfs/dbraw/zinc/12/20/67/608122067.db2.gz QSODCKYIQNTPDL-MRXNPFEDSA-N 0 1 381.440 2.723 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC000824957285 608180036 /nfs/dbraw/zinc/18/00/36/608180036.db2.gz WZMTUMKVVBYTCE-GFCCVEGCSA-N 0 1 381.937 2.925 20 0 GFADMN CC1CC[NH+](C[C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC000824957285 608180038 /nfs/dbraw/zinc/18/00/38/608180038.db2.gz WZMTUMKVVBYTCE-GFCCVEGCSA-N 0 1 381.937 2.925 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(F)c1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825865969 608190465 /nfs/dbraw/zinc/19/04/65/608190465.db2.gz NUOURZHYGJMFMW-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(F)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825865969 608190466 /nfs/dbraw/zinc/19/04/66/608190466.db2.gz NUOURZHYGJMFMW-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@H]1C ZINC000825443269 608268922 /nfs/dbraw/zinc/26/89/22/608268922.db2.gz BAVTWDCVKTWPOG-ZIAGYGMSSA-N 0 1 387.488 2.600 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825443775 608303904 /nfs/dbraw/zinc/30/39/04/608303904.db2.gz FXRDRFHHFORCRH-WDEREUQCSA-N 0 1 397.405 2.832 20 0 GFADMN COC1CCC([N@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000826146210 608311547 /nfs/dbraw/zinc/31/15/47/608311547.db2.gz RQQOKRDNQZTOMN-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN COC1CCC([N@@H+](C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000826146210 608311549 /nfs/dbraw/zinc/31/15/49/608311549.db2.gz RQQOKRDNQZTOMN-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN COC1CCC([N@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826146210 608311551 /nfs/dbraw/zinc/31/15/51/608311551.db2.gz RQQOKRDNQZTOMN-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN COC1CCC([N@@H+](C)Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826146210 608311553 /nfs/dbraw/zinc/31/15/53/608311553.db2.gz RQQOKRDNQZTOMN-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN c1cc(-c2nnc(CN3CCC[C@@H](C[C@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512814 608327014 /nfs/dbraw/zinc/32/70/14/608327014.db2.gz OPIBVOYRTVATAL-LSDHHAIUSA-N 0 1 395.467 2.555 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000826169945 608371047 /nfs/dbraw/zinc/37/10/47/608371047.db2.gz KEORFKTZQCJTFP-UHFFFAOYSA-N 0 1 383.427 2.810 20 0 GFADMN CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3F)C2)o1 ZINC000824352614 608396604 /nfs/dbraw/zinc/39/66/04/608396604.db2.gz KLABFZBNPHAGMI-OAHLLOKOSA-N 0 1 399.474 2.824 20 0 GFADMN COc1cccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000826214349 608432167 /nfs/dbraw/zinc/43/21/67/608432167.db2.gz IYLFPGHGXVTYRP-NSHDSACASA-N 0 1 386.843 2.818 20 0 GFADMN CC[C@@H](NCc1ccc(-c2nn[nH]n2)cc1OC)c1ccc2c(c1)OCCO2 ZINC000825139752 608469967 /nfs/dbraw/zinc/46/99/67/608469967.db2.gz HRHUFCIXBUZEPI-MRXNPFEDSA-N 0 1 381.436 2.887 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826183928 608475455 /nfs/dbraw/zinc/47/54/55/608475455.db2.gz FQDJHTYPYULAPP-CYBMUJFWSA-N 0 1 394.435 2.683 20 0 GFADMN COC(=O)C(C)(C)[C@@H](NCc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000826098516 608555255 /nfs/dbraw/zinc/55/52/55/608555255.db2.gz HEDDDISKWAHHCU-SFHVURJKSA-N 0 1 395.463 2.905 20 0 GFADMN Cn1cc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c(C(C)(C)C)n1 ZINC000826360701 608583022 /nfs/dbraw/zinc/58/30/22/608583022.db2.gz UURIVWIXUNHNJT-UHFFFAOYSA-N 0 1 395.511 2.941 20 0 GFADMN Cc1cc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cnc1Cl ZINC000826266657 608584767 /nfs/dbraw/zinc/58/47/67/608584767.db2.gz WZDJYBSDMAGXBV-UHFFFAOYSA-N 0 1 383.887 2.936 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825825950 608659753 /nfs/dbraw/zinc/65/97/53/608659753.db2.gz PESNQQABOZBLDF-CYBMUJFWSA-N 0 1 378.502 2.760 20 0 GFADMN CC(C)(C)c1n[nH]cc1CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824136401 608679818 /nfs/dbraw/zinc/67/98/18/608679818.db2.gz PNNCZIXZVQPQOI-UHFFFAOYSA-N 0 1 381.484 2.931 20 0 GFADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000825945938 608680868 /nfs/dbraw/zinc/68/08/68/608680868.db2.gz BLSPTMNXUBXPMQ-UHFFFAOYSA-N 0 1 375.436 2.768 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2cc(-c3nn[nH]n3)cs2)C2CC2)C1 ZINC000824104350 608739345 /nfs/dbraw/zinc/73/93/45/608739345.db2.gz PZDJCWMANRRAKM-CQSZACIVSA-N 0 1 390.513 2.902 20 0 GFADMN CCN(C(=O)[C@H]1CCc2[nH]c(C)nc2C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366558 609268529 /nfs/dbraw/zinc/26/85/29/609268529.db2.gz BVTRZFYZJYFUIT-WBMJQRKESA-N 0 1 379.468 2.613 20 0 GFADMN COc1ccc(CNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000826203098 609341157 /nfs/dbraw/zinc/34/11/57/609341157.db2.gz YWFVCFDTJFEJRF-UHFFFAOYSA-N 0 1 393.426 2.705 20 0 GFADMN c1cc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cc(-c2nn[nH]n2)c1 ZINC000826516692 609525009 /nfs/dbraw/zinc/52/50/09/609525009.db2.gz WORCIMHKWXSWLN-UHFFFAOYSA-N 0 1 393.432 2.715 20 0 GFADMN Cc1cc(NC(=O)NC[C@H]2COCCN2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000528689200 650697817 /nfs/dbraw/zinc/69/78/17/650697817.db2.gz TWJGXOQRSXJDPB-NSHDSACASA-N 0 1 384.267 2.597 20 0 GFADMN O=C(c1cccc(I)c1O)N1CC[C@H](O)CC12CCC2 ZINC000817678217 660205488 /nfs/dbraw/zinc/20/54/88/660205488.db2.gz SRGFBCBRNXBSJV-JTQLQIEISA-N 0 1 387.217 2.516 20 0 GFADMN COCCOc1ncccc1CNC[C@@H](O)c1ccccc1Br ZINC000818974557 660239692 /nfs/dbraw/zinc/23/96/92/660239692.db2.gz APHGVZJFGIRVIR-MRXNPFEDSA-N 0 1 381.270 2.693 20 0 GFADMN O=S(=O)(CCNC[C@@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000818977263 660240430 /nfs/dbraw/zinc/24/04/30/660240430.db2.gz VMLCUJJFHYDGEN-MRXNPFEDSA-N 0 1 384.295 2.546 20 0 GFADMN Cn1ccc(N2CCC[C@@H](NC[C@@H](O)c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000819112049 660246941 /nfs/dbraw/zinc/24/69/41/660246941.db2.gz AAUPDTMVIZWGBQ-HUUCEWRRSA-N 0 1 383.279 2.546 20 0 GFADMN O=C(CSc1n[n-]c(=S)s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819638979 660266029 /nfs/dbraw/zinc/26/60/29/660266029.db2.gz ASUVGZOTUMNDPQ-UONOGXRCSA-N 0 1 392.575 2.652 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)C[C@H](C)N1C ZINC000820688184 660302905 /nfs/dbraw/zinc/30/29/05/660302905.db2.gz MHNGKPQPLPAIPB-PHIMTYICSA-N 0 1 379.254 2.720 20 0 GFADMN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(Br)[nH]n1 ZINC000820718862 660303632 /nfs/dbraw/zinc/30/36/32/660303632.db2.gz CRAREPXJBPZCHQ-UHFFFAOYSA-N 0 1 383.221 2.801 20 0 GFADMN Cn1cc(S(=O)(=O)Nc2cc(Cl)cnc2Br)nc1Cl ZINC000820798498 660306567 /nfs/dbraw/zinc/30/65/67/660306567.db2.gz URBQPDJPGSDWCG-UHFFFAOYSA-N 0 1 386.058 2.685 20 0 GFADMN CC1N=NC(=S)N1c1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000821093719 660315266 /nfs/dbraw/zinc/31/52/66/660315266.db2.gz 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662588596 /nfs/dbraw/zinc/58/85/96/662588596.db2.gz KBCLKARHGRQTKB-QGZVFWFLSA-N 0 1 393.281 2.791 20 0 GFADMN CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H](N)c2cccc(Br)c2)n1 ZINC000867954004 662589192 /nfs/dbraw/zinc/58/91/92/662589192.db2.gz HWBRJNWLGMFWKQ-YGRLFVJLSA-N 0 1 397.273 2.588 20 0 GFADMN CC(C)(C)c1nnc(CNC(=O)[C@@H](N)c2cccc(Br)c2)s1 ZINC000867965938 662589778 /nfs/dbraw/zinc/58/97/78/662589778.db2.gz JMDOXMAISNLYEL-LBPRGKRZSA-N 0 1 383.315 2.914 20 0 GFADMN N[C@H](C(=O)Nc1nnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000868050161 662592585 /nfs/dbraw/zinc/59/25/85/662592585.db2.gz FSFWLQCGACBNED-MNOVXSKESA-N 0 1 383.271 2.791 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)/C(C)=C\c2ccc(Br)o2)CC1 ZINC000868794646 662619481 /nfs/dbraw/zinc/61/94/81/662619481.db2.gz BCZNECXJMGIYIH-OWBHPGMISA-N 0 1 398.345 2.978 20 0 GFADMN COCc1nc(CNC(=O)c2ccc(Cl)cc2NCC(F)(F)F)n[nH]1 ZINC000869249041 662638052 /nfs/dbraw/zinc/63/80/52/662638052.db2.gz ORWMOSHSEFFFFQ-UHFFFAOYSA-N 0 1 377.754 2.509 20 0 GFADMN 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BDPOOEHCSBSQPS-ZDUSSCGKSA-N 0 1 388.536 2.869 20 0 GFADMN O=C(NCCc1cc(Br)ccc1F)[C@@H]1Cc2ccccc2CN1 ZINC000237721799 553081295 /nfs/dbraw/zinc/08/12/95/553081295.db2.gz YVWWHLGNLCIQEK-KRWDZBQOSA-N 0 1 377.257 2.961 20 0 GFADMN O=C([O-])c1csc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000237962830 553084503 /nfs/dbraw/zinc/08/45/03/553084503.db2.gz IOWNYXPOMUPEPU-UHFFFAOYSA-N 0 1 386.539 2.723 20 0 GFADMN O[C@@H](CNCc1ccc(F)cc1Br)COc1ccc2c(c1)OCO2 ZINC000238039696 553084974 /nfs/dbraw/zinc/08/49/74/553084974.db2.gz VCPKOAYXNNQJDY-ZDUSSCGKSA-N 0 1 398.228 2.846 20 0 GFADMN CCCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246299912 553105712 /nfs/dbraw/zinc/10/57/12/553105712.db2.gz AKWFKOBBUNDCCQ-JKSUJKDBSA-N 0 1 379.444 2.508 20 0 GFADMN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H](O)c1cccc(Br)c1)CC2 ZINC000246707658 553112257 /nfs/dbraw/zinc/11/22/57/553112257.db2.gz CKBSQJQJUAKXME-BRWVUGGUSA-N 0 1 384.314 2.734 20 0 GFADMN CC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000247223292 553120230 /nfs/dbraw/zinc/12/02/30/553120230.db2.gz ZDGWLKDCOSITEE-GXTWGEPZSA-N 0 1 382.302 2.576 20 0 GFADMN O=S(=O)(NCCN1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000247274978 553120638 /nfs/dbraw/zinc/12/06/38/553120638.db2.gz WSYJBJVRFDGFJD-NVXWUHKLSA-N 0 1 380.535 2.615 20 0 GFADMN O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000247554058 553124100 /nfs/dbraw/zinc/12/41/00/553124100.db2.gz QFQIQBHTVQVVGR-HOTGVXAUSA-N 0 1 389.323 2.530 20 0 GFADMN CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000247578063 553124110 /nfs/dbraw/zinc/12/41/10/553124110.db2.gz KVJGCHOBQQDBGH-CHWSQXEVSA-N 0 1 389.949 2.895 20 0 GFADMN C[C@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)N1CCC[C@H](C)C1 ZINC000249069092 553138214 /nfs/dbraw/zinc/13/82/14/553138214.db2.gz QUBBFVGQVLBELC-QWHCGFSZSA-N 0 1 387.933 2.985 20 0 GFADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000249174681 553140361 /nfs/dbraw/zinc/14/03/61/553140361.db2.gz YJJOJSJOVDHDJV-ZIAGYGMSSA-N 0 1 398.345 2.997 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000249398277 553142740 /nfs/dbraw/zinc/14/27/40/553142740.db2.gz SCEQPZOOVHPDSD-XYPHTWIQSA-N 0 1 395.341 2.856 20 0 GFADMN C[C@H](O)C[N@H+]1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249521911 553144388 /nfs/dbraw/zinc/14/43/88/553144388.db2.gz VWESDAMPWLLYTI-IHRRRGAJSA-N 0 1 388.339 2.558 20 0 GFADMN C[C@H](O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000249521911 553144390 /nfs/dbraw/zinc/14/43/90/553144390.db2.gz VWESDAMPWLLYTI-IHRRRGAJSA-N 0 1 388.339 2.558 20 0 GFADMN C[C@@](N)(C(=O)NC[C@@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752765 553157984 /nfs/dbraw/zinc/15/79/84/553157984.db2.gz MVERSUPRPBHEGH-OCCSQVGLSA-N 0 1 375.357 2.588 20 0 GFADMN NC1(c2noc([C@H]3CCN(c4ccccc4Br)C3=O)n2)CCC1 ZINC000261844319 553160890 /nfs/dbraw/zinc/16/08/90/553160890.db2.gz SFYSFSDFLKLLDV-SNVBAGLBSA-N 0 1 377.242 2.691 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262234630 553168115 /nfs/dbraw/zinc/16/81/15/553168115.db2.gz XEKVRQBXCWEFBR-NVGCLXPQSA-N 0 1 381.270 2.963 20 0 GFADMN C[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CCN(C)CC1 ZINC000263702568 553191434 /nfs/dbraw/zinc/19/14/34/553191434.db2.gz BRRQAHNJQAPUCS-CYBMUJFWSA-N 0 1 378.929 2.829 20 0 GFADMN COc1cc(Br)c(CN[C@@H]2CCN(CC(F)F)C2)cc1OC ZINC000418133784 563899959 /nfs/dbraw/zinc/89/99/59/563899959.db2.gz LHFGJNNMWPRXOO-LLVKDONJSA-N 0 1 379.245 2.895 20 0 GFADMN COCCOC[C@@H](O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000450304351 564225647 /nfs/dbraw/zinc/22/56/47/564225647.db2.gz QNDAOWCCBKBAAM-HNNXBMFYSA-N 0 1 378.282 2.823 20 0 GFADMN C[C@@H](CCNCc1c(F)ccc(I)c1F)[S@](C)=O ZINC000474882881 564292181 /nfs/dbraw/zinc/29/21/81/564292181.db2.gz MSGSDZOGSUYIDO-ASCAZGACSA-N 0 1 387.233 2.816 20 0 GFADMN CCOCCOC[C@@H](O)CN[C@@H]1CCc2c1c(Br)ccc2F ZINC000477931838 564391013 /nfs/dbraw/zinc/39/10/13/564391013.db2.gz DBKBEEZWACMZER-XHDPSFHLSA-N 0 1 376.266 2.579 20 0 GFADMN CN1CCN([C@@H]2CCCCN(C(=O)c3ccc(Br)s3)C2)CC1 ZINC000372625526 563312527 /nfs/dbraw/zinc/31/25/27/563312527.db2.gz MOLKEKMUXFANQP-CYBMUJFWSA-N 0 1 386.359 2.753 20 0 GFADMN CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000300579635 563391264 /nfs/dbraw/zinc/39/12/64/563391264.db2.gz ANMKGHYWMLPAKP-GFCCVEGCSA-N 0 1 388.249 2.553 20 0 GFADMN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000300579635 563391266 /nfs/dbraw/zinc/39/12/66/563391266.db2.gz ANMKGHYWMLPAKP-GFCCVEGCSA-N 0 1 388.249 2.553 20 0 GFADMN CC(C)(C)S(=O)(=O)CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000330598864 563512278 /nfs/dbraw/zinc/51/22/78/563512278.db2.gz WXWUCTSKTZERSN-UHFFFAOYSA-N 0 1 384.679 2.960 20 0 GFADMN CCn1nc(C)c(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1C ZINC000369674057 563221234 /nfs/dbraw/zinc/22/12/34/563221234.db2.gz MWKMJCWDKHMURH-HOCLYGCPSA-N 0 1 382.555 2.553 20 0 GFADMN O=C(c1cccc(F)c1Br)N1CCN(CC2CCOCC2)CC1 ZINC000294918500 563221746 /nfs/dbraw/zinc/22/17/46/563221746.db2.gz GROCSVNNSOLFFR-UHFFFAOYSA-N 0 1 385.277 2.773 20 0 GFADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cccc(Br)c1 ZINC000369693596 563221979 /nfs/dbraw/zinc/22/19/79/563221979.db2.gz UKQPMNGOPSYHDL-CQSZACIVSA-N 0 1 381.314 2.703 20 0 GFADMN Cc1c(Br)cccc1C(=O)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000369727757 563223503 /nfs/dbraw/zinc/22/35/03/563223503.db2.gz QOWHHWAODFJJRF-PBHICJAKSA-N 0 1 381.314 2.988 20 0 GFADMN COC[C@]1(C)CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000295125869 563229906 /nfs/dbraw/zinc/22/99/06/563229906.db2.gz AFZFDNDAFDKIDS-OAHLLOKOSA-N 0 1 375.332 2.827 20 0 GFADMN O=C(NCCOc1ccc(Br)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370111715 563233901 /nfs/dbraw/zinc/23/39/01/563233901.db2.gz MKPCPYJKZCTBKT-GFCCVEGCSA-N 0 1 394.273 2.535 20 0 GFADMN CCc1nc(CNC(=O)CCc2nc3cc(Br)ccc3s2)n[nH]1 ZINC000295224785 563236721 /nfs/dbraw/zinc/23/67/21/563236721.db2.gz AXODYEWOWQFYQK-UHFFFAOYSA-N 0 1 394.298 2.988 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000295248738 563238532 /nfs/dbraw/zinc/23/85/32/563238532.db2.gz WGCKSNJRGONNNH-UHFFFAOYSA-N 0 1 380.491 2.862 20 0 GFADMN O=C1CC[C@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C2CC2)N1 ZINC000370263661 563238630 /nfs/dbraw/zinc/23/86/30/563238630.db2.gz ZUNVEFXWXSYWOC-KBXCAEBGSA-N 0 1 389.297 2.986 20 0 GFADMN O=C(CCOc1ccccc1Br)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370304498 563239553 /nfs/dbraw/zinc/23/95/53/563239553.db2.gz YSZUCEULVNXGIJ-LBPRGKRZSA-N 0 1 379.258 2.742 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[C@@H](C)CN1CCO ZINC000419412842 563239974 /nfs/dbraw/zinc/23/99/74/563239974.db2.gz ROSQCVJECZHZEZ-DVOMOZLQSA-N 0 1 383.945 2.973 20 0 GFADMN COC[C@H](C)OC[C@@H](O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000278101335 563240892 /nfs/dbraw/zinc/24/08/92/563240892.db2.gz QRQXHPGMAYCVJE-CMPLNLGQSA-N 0 1 387.889 2.638 20 0 GFADMN O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1cccc(Cl)c1Br ZINC000295371096 563244560 /nfs/dbraw/zinc/24/45/60/563244560.db2.gz SOOWFZDEMRZEED-UHFFFAOYSA-N 0 1 391.678 2.577 20 0 GFADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295373871 563244598 /nfs/dbraw/zinc/24/45/98/563244598.db2.gz HQQJMFFLYRGRDQ-MRVPVSSYSA-N 0 1 383.221 2.667 20 0 GFADMN O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)c1cccnc1Br ZINC000370474079 563245042 /nfs/dbraw/zinc/24/50/42/563245042.db2.gz UPHZUQVCOHYYGP-OAHLLOKOSA-N 0 1 389.297 2.881 20 0 GFADMN O=C(CCNC(=O)[C@@H]1CCCc2[nH]cnc21)Nc1ccc(Br)cc1 ZINC000370493890 563245680 /nfs/dbraw/zinc/24/56/80/563245680.db2.gz XVTUVBAICKBJRH-CYBMUJFWSA-N 0 1 391.269 2.737 20 0 GFADMN CN(C)c1ncc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000419694387 563246117 /nfs/dbraw/zinc/24/61/17/563246117.db2.gz QAEJPYVTZOXBEZ-OAHLLOKOSA-N 0 1 382.295 2.688 20 0 GFADMN CCC[C@@H](O)[C@@H](CO)NCc1cc(Br)cc(C)c1OC(F)F ZINC000419801309 563250831 /nfs/dbraw/zinc/25/08/31/563250831.db2.gz AMAKVJZVKZWCNO-CHWSQXEVSA-N 0 1 382.245 2.970 20 0 GFADMN Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000370771688 563254585 /nfs/dbraw/zinc/25/45/85/563254585.db2.gz JCMUNASULVOJJZ-RHSMWYFYSA-N 0 1 381.314 2.988 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000278575523 563262349 /nfs/dbraw/zinc/26/23/49/563262349.db2.gz JQFBBTOUVBEHLI-WDEREUQCSA-N 0 1 377.819 2.860 20 0 GFADMN Cc1nc([C@H]2CCCCN2S(=O)(=O)c2sccc2Br)n[nH]1 ZINC000371146597 563266968 /nfs/dbraw/zinc/26/69/68/563266968.db2.gz QVJPCOMBUGARSE-SNVBAGLBSA-N 0 1 391.316 2.853 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000295922302 563268346 /nfs/dbraw/zinc/26/83/46/563268346.db2.gz JTIBYIXTOCGMIR-UHFFFAOYSA-N 0 1 383.539 2.513 20 0 GFADMN O=C(COc1ccc(Br)cc1Cl)N[C@H]1CCc2nc[nH]c2C1 ZINC000371307524 563271755 /nfs/dbraw/zinc/27/17/55/563271755.db2.gz FYGOIWZFSQMTJE-JTQLQIEISA-N 0 1 384.661 2.878 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(Br)c1F ZINC000278824485 563272030 /nfs/dbraw/zinc/27/20/30/563272030.db2.gz IWBHKMPXOUREPN-LBPRGKRZSA-N 0 1 385.277 2.914 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000296071219 563273591 /nfs/dbraw/zinc/27/35/91/563273591.db2.gz JQPPQYUCSURVKF-UHFFFAOYSA-N 0 1 394.273 2.562 20 0 GFADMN COC[C@@H](NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCO1 ZINC000279032821 563281180 /nfs/dbraw/zinc/28/11/80/563281180.db2.gz ICVBAZWKYAXKKQ-TZMCWYRMSA-N 0 1 378.803 2.664 20 0 GFADMN O=C(N1CCCC[C@@H]1c1nnc[nH]1)C1(c2cncc(Br)c2)CC1 ZINC000296499543 563290120 /nfs/dbraw/zinc/29/01/20/563290120.db2.gz SYPFDRRPONOHOE-CYBMUJFWSA-N 0 1 376.258 2.748 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NCCCC(C)(F)F)c(Br)o1 ZINC000296520628 563290625 /nfs/dbraw/zinc/29/06/25/563290625.db2.gz ABBXDXBHYWKAEE-UHFFFAOYSA-N 0 1 390.202 2.542 20 0 GFADMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000371922379 563291368 /nfs/dbraw/zinc/29/13/68/563291368.db2.gz DFWZVPPBGBUYMF-SNVBAGLBSA-N 0 1 397.248 2.880 20 0 GFADMN Cc1ccc(I)c(C(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000371917963 563291386 /nfs/dbraw/zinc/29/13/86/563291386.db2.gz HWPPHXMIXBRDOC-UHFFFAOYSA-N 0 1 396.232 2.738 20 0 GFADMN CN(C(=O)c1c([O-])cc(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371974579 563292949 /nfs/dbraw/zinc/29/29/49/563292949.db2.gz PQXRIFJRTGRYGE-CQSZACIVSA-N 0 1 386.323 2.940 20 0 GFADMN CN(C(=O)c1c([O-])cc(Cl)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371974579 563292952 /nfs/dbraw/zinc/29/29/52/563292952.db2.gz PQXRIFJRTGRYGE-CQSZACIVSA-N 0 1 386.323 2.940 20 0 GFADMN CCN(CC1CC1)S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000372010601 563293618 /nfs/dbraw/zinc/29/36/18/563293618.db2.gz POOKBNHMTCENPI-UHFFFAOYSA-N 0 1 380.436 2.585 20 0 GFADMN O=C(NCc1noc(-c2cccc(Br)c2)n1)[C@@H]1CCCN1C1CC1 ZINC000279441160 563296299 /nfs/dbraw/zinc/29/62/99/563296299.db2.gz DIBNANUEQJPTLJ-AWEZNQCLSA-N 0 1 391.269 2.742 20 0 GFADMN O=C(NCCN1CCC(O)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000296753709 563300308 /nfs/dbraw/zinc/30/03/08/563300308.db2.gz BJQCLYVMCWCTIX-UHFFFAOYSA-N 0 1 395.219 2.654 20 0 GFADMN CSC[C@@H](CCO)NC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000372323025 563302385 /nfs/dbraw/zinc/30/23/85/563302385.db2.gz BIXXUOKZXBZHFZ-CYBMUJFWSA-N 0 1 376.975 2.844 20 0 GFADMN CCOc1cc(CNCC2(S(C)(=O)=O)CC2)cc(Br)c1OC ZINC000279626733 563303641 /nfs/dbraw/zinc/30/36/41/563303641.db2.gz BKIHPCHKZXEXBG-UHFFFAOYSA-N 0 1 392.315 2.523 20 0 GFADMN CN1CCC2(CCCN2S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000372398336 563304782 /nfs/dbraw/zinc/30/47/82/563304782.db2.gz MRHUDGGTZQWCSG-UHFFFAOYSA-N 0 1 391.306 2.837 20 0 GFADMN C[C@@H](CC(=O)NCCN1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000296910341 563307588 /nfs/dbraw/zinc/30/75/88/563307588.db2.gz KYTBCDNWDFUMBU-LBPRGKRZSA-N 0 1 387.293 2.655 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000372769032 563316545 /nfs/dbraw/zinc/31/65/45/563316545.db2.gz PUXDSKUFECALQV-INIZCTEOSA-N 0 1 381.548 2.515 20 0 GFADMN Cc1nc2ccc(Br)cn2c1C(=O)NCCCc1cn[nH]c1C ZINC000279960003 563316589 /nfs/dbraw/zinc/31/65/89/563316589.db2.gz CCILNGXRRHIRET-UHFFFAOYSA-N 0 1 376.258 2.799 20 0 GFADMN CN(Cc1ccc(Br)cn1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000280062140 563320847 /nfs/dbraw/zinc/32/08/47/563320847.db2.gz YMENLCCJGQOBKO-YOEHRIQHSA-N 0 1 396.308 2.622 20 0 GFADMN Cn1cc([C@@H]2[C@H](CNC(=O)c3ccoc3Br)CCCN2C)cn1 ZINC000373106166 563328638 /nfs/dbraw/zinc/32/86/38/563328638.db2.gz GEEKMUALINMRAT-FZMZJTMJSA-N 0 1 381.274 2.589 20 0 GFADMN CCn1cc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373248773 563333045 /nfs/dbraw/zinc/33/30/45/563333045.db2.gz ZIJGWHMTVNVVBR-CYBMUJFWSA-N 0 1 384.318 2.596 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)n[nH]1 ZINC000298046357 563342901 /nfs/dbraw/zinc/34/29/01/563342901.db2.gz DKLJNPVGDWJJJT-SSDOTTSWSA-N 0 1 385.255 2.633 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280648806 563347802 /nfs/dbraw/zinc/34/78/02/563347802.db2.gz YYDSMCKRHHIVQM-HACGYAERSA-N 0 1 376.280 2.613 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000298391425 563353946 /nfs/dbraw/zinc/35/39/46/563353946.db2.gz VIDHRAVBANKHOH-INIZCTEOSA-N 0 1 395.301 2.788 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@](C)(C(N)=O)C1 ZINC000280788963 563354513 /nfs/dbraw/zinc/35/45/13/563354513.db2.gz QVLALBFWZJTGOG-VFZGTOFNSA-N 0 1 377.794 2.883 20 0 GFADMN COC(=O)C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000423255096 563359493 /nfs/dbraw/zinc/35/94/93/563359493.db2.gz ASUZNKMJGFWDNT-ZANVPECISA-N 0 1 381.885 2.840 20 0 GFADMN C[N@H+]1C[C@@H]2CN(C(=O)CSc3n[n-]c(=S)s3)C[C@@H]2[C@H]1c1ccccc1 ZINC000374067163 563360078 /nfs/dbraw/zinc/36/00/78/563360078.db2.gz KPBKYHJMTUUSOE-VNHYZAJKSA-N 0 1 392.575 2.680 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000374198386 563364677 /nfs/dbraw/zinc/36/46/77/563364677.db2.gz NNSIZGBKKFHRRF-UHFFFAOYSA-N 0 1 391.269 2.825 20 0 GFADMN CNC(=O)[C@]1(C)CCN(Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000281259274 563371114 /nfs/dbraw/zinc/37/11/14/563371114.db2.gz XWPFWEUHPNSLTP-QGZVFWFLSA-N 0 1 383.286 2.568 20 0 GFADMN Cc1nnsc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000299296914 563380805 /nfs/dbraw/zinc/38/08/05/563380805.db2.gz XGIQIJCSFSFKDZ-UHFFFAOYSA-N 0 1 396.314 2.613 20 0 GFADMN Cn1c(Cl)cnc1CNC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000281665287 563382550 /nfs/dbraw/zinc/38/25/50/563382550.db2.gz LCDAWPCMTXFGCO-LBPRGKRZSA-N 0 1 377.794 2.913 20 0 GFADMN Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc(F)c1Br ZINC000299519532 563384709 /nfs/dbraw/zinc/38/47/09/563384709.db2.gz CTTVJKFWMRKCHF-NSHDSACASA-N 0 1 398.276 2.602 20 0 GFADMN Cc1oc(Br)cc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000424761105 563390720 /nfs/dbraw/zinc/39/07/20/563390720.db2.gz XMUUAHBOFBSLNY-CABCVRRESA-N 0 1 393.281 2.716 20 0 GFADMN CN1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424896094 563396002 /nfs/dbraw/zinc/39/60/02/563396002.db2.gz NKBFSJSUKRDVHV-GFCCVEGCSA-N 0 1 378.641 2.655 20 0 GFADMN CCOc1cc(CN[C@@H](C)C(=O)N2CCCC2)cc(Br)c1OC ZINC000282386692 563409472 /nfs/dbraw/zinc/40/94/72/563409472.db2.gz XSOKDJXKZWFQGD-LBPRGKRZSA-N 0 1 385.302 2.957 20 0 GFADMN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccnc3Cl)C2)n[nH]1 ZINC000282397280 563409905 /nfs/dbraw/zinc/40/99/05/563409905.db2.gz BTRSFVRHPYDXBI-SNVBAGLBSA-N 0 1 375.281 2.988 20 0 GFADMN COc1cc2nccc(NCC(=O)NCC(F)(F)F)c2cc1Br ZINC000425218443 563412190 /nfs/dbraw/zinc/41/21/90/563412190.db2.gz YIROKHCEFCUZCD-UHFFFAOYSA-N 0 1 392.175 2.518 20 0 GFADMN Cc1ccc(Br)cc1CC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425324691 563418012 /nfs/dbraw/zinc/41/80/12/563418012.db2.gz REVZEVCMABHLMP-UHFFFAOYSA-N 0 1 380.242 2.795 20 0 GFADMN C[C@H](N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000282951978 563430907 /nfs/dbraw/zinc/43/09/07/563430907.db2.gz CAPNEDPCQVQLDW-UGSOOPFHSA-N 0 1 381.929 2.941 20 0 GFADMN CN1CCN(C[C@@H]2CCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376184524 563432651 /nfs/dbraw/zinc/43/26/51/563432651.db2.gz BJBHXOFIPPPPJJ-NSHDSACASA-N 0 1 398.791 2.829 20 0 GFADMN Cc1nc(NC[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1Br ZINC000376357286 563439203 /nfs/dbraw/zinc/43/92/03/563439203.db2.gz XKRFFOVCELSFSH-SUMWQHHRSA-N 0 1 378.318 3.381 20 0 GFADMN C[C@@H]1CCN(C(=O)C(=O)NCc2nc3cccc(Br)c3[nH]2)[C@H](C)C1 ZINC000425909387 563439724 /nfs/dbraw/zinc/43/97/24/563439724.db2.gz OMISNJMAVVSMFN-GHMZBOCLSA-N 0 1 393.285 2.589 20 0 GFADMN Oc1ccc(Br)c(CNCCn2cc(Br)cn2)c1 ZINC000315403443 563440964 /nfs/dbraw/zinc/44/09/64/563440964.db2.gz JYUGLIGJOZRCDV-UHFFFAOYSA-N 0 1 375.064 2.904 20 0 GFADMN O=S(=O)(Nc1cc(Br)ccc1O)c1ccc2c(c1)OCCO2 ZINC000317539826 563443470 /nfs/dbraw/zinc/44/34/70/563443470.db2.gz LHRJPNLFYSCOTP-UHFFFAOYSA-N 0 1 386.223 2.727 20 0 GFADMN O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000426145864 563444874 /nfs/dbraw/zinc/44/48/74/563444874.db2.gz OOAODHFFBLCWPA-NSHDSACASA-N 0 1 378.778 2.612 20 0 GFADMN O[C@@H](CNCc1cccc2c1OCO2)COc1cccc(Br)c1 ZINC000320359884 563446463 /nfs/dbraw/zinc/44/64/63/563446463.db2.gz MNWJPGYDPWITEO-AWEZNQCLSA-N 0 1 380.238 2.707 20 0 GFADMN CC(C)(C)C(=O)NCCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000376738002 563452984 /nfs/dbraw/zinc/45/29/84/563452984.db2.gz RKNAWINOPLKXGD-UHFFFAOYSA-N 0 1 385.961 2.892 20 0 GFADMN COC(=O)C[C@@H](C)c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000283841661 563457054 /nfs/dbraw/zinc/45/70/54/563457054.db2.gz KBERURKAZZKRQL-MRVPVSSYSA-N 0 1 392.213 2.951 20 0 GFADMN CN(CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@@H]1CCSC1 ZINC000328598407 563461716 /nfs/dbraw/zinc/46/17/16/563461716.db2.gz BCGPFKHERVMBJT-VXGBXAGGSA-N 0 1 376.448 2.572 20 0 GFADMN Cc1nc(C[S@](=O)Cc2coc(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000427186117 563462156 /nfs/dbraw/zinc/46/21/56/563462156.db2.gz LRQVQBGTJICZOW-JOCHJYFZSA-N 0 1 381.255 2.980 20 0 GFADMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000377329049 563470837 /nfs/dbraw/zinc/47/08/37/563470837.db2.gz FBPKVTUPKJVQHK-FZMZJTMJSA-N 0 1 377.286 2.960 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000377329050 563471070 /nfs/dbraw/zinc/47/10/70/563471070.db2.gz FBPKVTUPKJVQHK-RISCZKNCSA-N 0 1 377.286 2.960 20 0 GFADMN CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2sccc21)c1cccs1 ZINC000284378876 563472935 /nfs/dbraw/zinc/47/29/35/563472935.db2.gz LZVGCPAALHILEV-KBPBESRZSA-N 0 1 377.535 2.722 20 0 GFADMN CC(C)(C)c1ncc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000284423035 563474378 /nfs/dbraw/zinc/47/43/78/563474378.db2.gz RIFBVIAZRCBVFV-UHFFFAOYSA-N 0 1 388.946 2.557 20 0 GFADMN Ic1ccc(-c2noc([C@@H]3C[C@H]3c3nc[nH]n3)n2)cc1 ZINC000377517888 563477764 /nfs/dbraw/zinc/47/77/64/563477764.db2.gz UWNVYRIDONBKCG-NXEZZACHSA-N 0 1 379.161 2.730 20 0 GFADMN C[N@H+]1CC[C@H]2CCN(C(=O)N=c3nc(-c4cccc(Cl)c4)[n-]s3)[C@H]2C1 ZINC000329454487 563480429 /nfs/dbraw/zinc/48/04/29/563480429.db2.gz PMCZTGMEQFMZEE-FZMZJTMJSA-N 0 1 377.901 2.838 20 0 GFADMN CCc1[nH]nc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c1Br ZINC000329549912 563482886 /nfs/dbraw/zinc/48/28/86/563482886.db2.gz COUWHNIKKQHMGZ-BONVTDFDSA-N 0 1 382.262 2.710 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000284653264 563484597 /nfs/dbraw/zinc/48/45/97/563484597.db2.gz SYFFGJRWMNDZHZ-OLZOCXBDSA-N 0 1 383.221 2.617 20 0 GFADMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc(Br)cc32)[C@@]12CCCO2 ZINC000329779093 563488504 /nfs/dbraw/zinc/48/85/04/563488504.db2.gz LRLHLSQCRMYCDR-CPUCHLNUSA-N 0 1 394.269 2.782 20 0 GFADMN Cc1noc(C)c1CC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000329854507 563490052 /nfs/dbraw/zinc/49/00/52/563490052.db2.gz WMUMQARVQOLEOH-UHFFFAOYSA-N 0 1 375.420 2.917 20 0 GFADMN Cc1noc(C)c1CCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000329854507 563490055 /nfs/dbraw/zinc/49/00/55/563490055.db2.gz WMUMQARVQOLEOH-UHFFFAOYSA-N 0 1 375.420 2.917 20 0 GFADMN CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000377941031 563491492 /nfs/dbraw/zinc/49/14/92/563491492.db2.gz AAGBNBKPWDOEGU-FZMZJTMJSA-N 0 1 378.523 2.697 20 0 GFADMN CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000377941031 563491495 /nfs/dbraw/zinc/49/14/95/563491495.db2.gz AAGBNBKPWDOEGU-FZMZJTMJSA-N 0 1 378.523 2.697 20 0 GFADMN Cc1c(NS(=O)(=O)c2ccc(F)cc2Cl)cccc1N1CN=NC1=O ZINC000378012277 563492959 /nfs/dbraw/zinc/49/29/59/563492959.db2.gz KQEISIPGKLZUCV-UHFFFAOYSA-N 0 1 382.804 2.875 20 0 GFADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000284992651 563498148 /nfs/dbraw/zinc/49/81/48/563498148.db2.gz ANBVUZGZXZHGJA-CYBMUJFWSA-N 0 1 384.299 2.952 20 0 GFADMN Cc1cccc(OC[C@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018407 563507756 /nfs/dbraw/zinc/50/77/56/563507756.db2.gz HDRPYLQXFNXGFU-KDOFPFPSSA-N 0 1 398.272 2.960 20 0 GFADMN C[C@H]1OCCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)[C@@H]1C(N)=O ZINC000330562931 563511180 /nfs/dbraw/zinc/51/11/80/563511180.db2.gz ALMHBGLGSKXPQQ-OTYXRUKQSA-N 0 1 393.241 2.604 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccsc3)cc2)C[C@H](C)O1 ZINC000285284141 563512629 /nfs/dbraw/zinc/51/26/29/563512629.db2.gz ZNYWJRFMQGXIQF-BETUJISGSA-N 0 1 380.491 2.798 20 0 GFADMN Cc1cc(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)c(C)cc1Br ZINC000285288433 563513136 /nfs/dbraw/zinc/51/31/36/563513136.db2.gz AXUKASZQOBMBDN-UHFFFAOYSA-N 0 1 385.287 2.542 20 0 GFADMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000330645558 563515159 /nfs/dbraw/zinc/51/51/59/563515159.db2.gz GOIAQRBFXWDJFF-OCCSQVGLSA-N 0 1 387.933 2.792 20 0 GFADMN O=C(Cn1cc(CNC2CC2)nn1)Nc1ccc(Br)cc1Cl ZINC000387982732 563520451 /nfs/dbraw/zinc/52/04/51/563520451.db2.gz QKBWECUGDRVZRE-UHFFFAOYSA-N 0 1 384.665 2.585 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c(Br)c1 ZINC000390731014 563523440 /nfs/dbraw/zinc/52/34/40/563523440.db2.gz PJUXGDAUZCUWKL-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000429819959 563524282 /nfs/dbraw/zinc/52/42/82/563524282.db2.gz WMNLVUNCUCTRGM-VIFPVBQESA-N 0 1 381.723 2.864 20 0 GFADMN CCCOc1c(Br)cc(CN[C@H]2CC(=O)N(CC)C2)cc1OC ZINC000391616194 563525519 /nfs/dbraw/zinc/52/55/19/563525519.db2.gz QEOOKDMJBJWWGH-ZDUSSCGKSA-N 0 1 385.302 2.957 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H](C)c2ccc(Br)cc2)C1 ZINC000285575313 563527194 /nfs/dbraw/zinc/52/71/94/563527194.db2.gz BDKIPBGIVVVRSV-GDLCADMTSA-N 0 1 379.258 2.659 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N2CCCN(CC)CC2)cc1Cl ZINC000429899402 563528243 /nfs/dbraw/zinc/52/82/43/563528243.db2.gz CDCSJSPQSUTIDA-UHFFFAOYSA-N 0 1 388.295 2.885 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000429981284 563531103 /nfs/dbraw/zinc/53/11/03/563531103.db2.gz XBEVEOGCIRXGPS-UHFFFAOYSA-N 0 1 375.230 3.525 20 0 GFADMN CS(=O)(=O)N1CC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000400284224 563534558 /nfs/dbraw/zinc/53/45/58/563534558.db2.gz NHLOSLSDMJVTQO-GFCCVEGCSA-N 0 1 377.491 2.680 20 0 GFADMN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000331127031 563536495 /nfs/dbraw/zinc/53/64/95/563536495.db2.gz NVDNAZCPVWIJST-SECBINFHSA-N 0 1 381.274 2.701 20 0 GFADMN CCN1CCCC[C@H]1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430163404 563537101 /nfs/dbraw/zinc/53/71/01/563537101.db2.gz HPYYXANMCYQQRH-PBHICJAKSA-N 0 1 383.330 2.591 20 0 GFADMN COc1ccc(Br)c(CN(C)C(=O)CCCCc2cn[nH]n2)c1 ZINC000430194694 563538402 /nfs/dbraw/zinc/53/84/02/563538402.db2.gz KCBNWFBPDFDPEL-UHFFFAOYSA-N 0 1 381.274 2.947 20 0 GFADMN Cc1ccc([C@H](N)C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000430594299 563545919 /nfs/dbraw/zinc/54/59/19/563545919.db2.gz QNALONIOHDRIIV-INIZCTEOSA-N 0 1 391.265 2.845 20 0 GFADMN O=S(=O)(c1ccc(Br)o1)N1CCC[C@@H]1CN1CCCCC1 ZINC000408215939 563547974 /nfs/dbraw/zinc/54/79/74/563547974.db2.gz UYSJRCMEPSIGOT-GFCCVEGCSA-N 0 1 377.304 2.681 20 0 GFADMN CN(C)c1noc(CCC(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC000430916092 563550088 /nfs/dbraw/zinc/55/00/88/563550088.db2.gz SZEPPWCFGSUMSY-UHFFFAOYSA-N 0 1 389.637 2.828 20 0 GFADMN CCc1nc(C(=O)N2CCNC(C)(C)C2)nn1-c1c(Cl)cccc1Cl ZINC000408323401 563550559 /nfs/dbraw/zinc/55/05/59/563550559.db2.gz ZQMLUZZFTJSSHV-UHFFFAOYSA-N 0 1 382.295 2.961 20 0 GFADMN 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NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000369171846 563888595 /nfs/dbraw/zinc/88/85/95/563888595.db2.gz OLQNLWHFGRGAMA-HERUPUMHSA-N 0 1 391.269 2.584 20 0 GFADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000369220192 563890078 /nfs/dbraw/zinc/89/00/78/563890078.db2.gz IDWDEBHJNUPHTD-MRXNPFEDSA-N 0 1 398.349 2.867 20 0 GFADMN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(F)cc1Br ZINC000447933354 563891134 /nfs/dbraw/zinc/89/11/34/563891134.db2.gz TWOMMOGYVFSDIU-CQSZACIVSA-N 0 1 393.322 2.987 20 0 GFADMN O=C(Cc1ccc(Br)s1)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000369335228 563892505 /nfs/dbraw/zinc/89/25/05/563892505.db2.gz ODWUIEXCJJAPGF-OCCSQVGLSA-N 0 1 387.343 2.670 20 0 GFADMN CCO[C@@H]1COCC[C@H]1NCc1ccc(F)cc1I ZINC000417992676 563894095 /nfs/dbraw/zinc/89/40/95/563894095.db2.gz OYHQVNZTDUTCBY-ZIAGYGMSSA-N 0 1 379.213 2.714 20 0 GFADMN O=C([C@@H]1CCCN(Cc2cccc(F)c2Br)C1)N1CCOCC1 ZINC000449011329 563905307 /nfs/dbraw/zinc/90/53/07/563905307.db2.gz ZCXJXSJLJLLXAM-CQSZACIVSA-N 0 1 385.277 2.659 20 0 GFADMN CS(=O)(=O)c1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000449156671 563907392 /nfs/dbraw/zinc/90/73/92/563907392.db2.gz OENMKSHBLGRHSV-QGZVFWFLSA-N 0 1 378.881 2.639 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1cncc(C)c1 ZINC000449208933 563908126 /nfs/dbraw/zinc/90/81/26/563908126.db2.gz QFSSTQMGFIMSEF-CYBMUJFWSA-N 0 1 392.297 2.956 20 0 GFADMN COC(=O)Cn1cc(CNCC2(c3ccc(Cl)cc3Cl)CCC2)nn1 ZINC000449212042 563908164 /nfs/dbraw/zinc/90/81/64/563908164.db2.gz IDWJUTGFHLMFPW-UHFFFAOYSA-N 0 1 383.279 2.969 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(Br)c1F ZINC000449248705 564177909 /nfs/dbraw/zinc/17/79/09/564177909.db2.gz JVLXJAMYDRXDPI-CHWSQXEVSA-N 0 1 379.295 2.538 20 0 GFADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NCCN1CCc2ccccc2C1 ZINC000505259065 564179317 /nfs/dbraw/zinc/17/93/17/564179317.db2.gz BVCDNIINJIEHMV-UHFFFAOYSA-N 0 1 390.281 2.646 20 0 GFADMN C[C@@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@H](C2CC2)O1 ZINC000470905368 564179834 /nfs/dbraw/zinc/17/98/34/564179834.db2.gz GIWWRPBGIRODIP-RGYTYGDFSA-N 0 1 388.277 2.827 20 0 GFADMN CSC[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000563263310 564183658 /nfs/dbraw/zinc/18/36/58/564183658.db2.gz CQKOEOBUCCXTPJ-UONOGXRCSA-N 0 1 382.473 2.733 20 0 GFADMN O=C([O-])CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCCO1 ZINC000563277284 564184034 /nfs/dbraw/zinc/18/40/34/564184034.db2.gz OMWVNROGHJYIMY-KGLIPLIRSA-N 0 1 392.279 2.689 20 0 GFADMN CC[C@H](CNS(C)(=O)=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000449441381 564186967 /nfs/dbraw/zinc/18/69/67/564186967.db2.gz GOGRHQUBAIKJKL-GFCCVEGCSA-N 0 1 379.507 2.974 20 0 GFADMN O=C([C@@H]1CC(=O)Nc2ccc(Br)cc21)N1CCN(C2CCC2)CC1 ZINC000563345168 564187611 /nfs/dbraw/zinc/18/76/11/564187611.db2.gz CZELGMJGGGDDNP-OAHLLOKOSA-N 0 1 392.297 2.572 20 0 GFADMN C[C@H](NCCNS(=O)(=O)Cc1ccon1)c1cc2cc(Cl)ccc2o1 ZINC000538393160 564190265 /nfs/dbraw/zinc/19/02/65/564190265.db2.gz HLHJHUFXIVTEPR-NSHDSACASA-N 0 1 383.857 2.844 20 0 GFADMN COc1ccc(Br)c([C@H](CO)N(C)C(=O)CN2CCC(C)(C)C2)c1 ZINC000563409053 564190411 /nfs/dbraw/zinc/19/04/11/564190411.db2.gz UFIYNCUPVDGKTO-INIZCTEOSA-N 0 1 399.329 2.681 20 0 GFADMN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2cncc(Br)c2)cc1 ZINC000563443245 564191811 /nfs/dbraw/zinc/19/18/11/564191811.db2.gz QXMWJJLDYFGLFU-CYBMUJFWSA-N 0 1 398.326 2.782 20 0 GFADMN CSc1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)c(Cl)cc1Cl ZINC000471280660 564191766 /nfs/dbraw/zinc/19/17/66/564191766.db2.gz XAHFRIXWDPTSON-ZDUSSCGKSA-N 0 1 390.336 2.785 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@H]2COc3ccccc32)sc1Br ZINC000563748039 564204720 /nfs/dbraw/zinc/20/47/20/564204720.db2.gz SXRVSABQYNCMQN-VIFPVBQESA-N 0 1 389.296 2.669 20 0 GFADMN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000538977401 564207794 /nfs/dbraw/zinc/20/77/94/564207794.db2.gz RLYZWOHCHVPXRL-GXTWGEPZSA-N 0 1 385.339 2.868 20 0 GFADMN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506662474 564208500 /nfs/dbraw/zinc/20/85/00/564208500.db2.gz NCRHDPAUMKOTBX-UHFFFAOYSA-N 0 1 382.488 2.610 20 0 GFADMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539120111 564210493 /nfs/dbraw/zinc/21/04/93/564210493.db2.gz LSFPEZVVWHBELH-RHSMWYFYSA-N 0 1 380.535 2.981 20 0 GFADMN COC(=O)COc1ccc(NS(=O)(=O)c2ccsc2)c2cccnc12 ZINC000506851362 564212711 /nfs/dbraw/zinc/21/27/11/564212711.db2.gz NJTZIQJEYGBARP-UHFFFAOYSA-N 0 1 378.431 2.649 20 0 GFADMN Cc1noc(COc2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2)n1 ZINC000507007733 564216164 /nfs/dbraw/zinc/21/61/64/564216164.db2.gz MOWKJBAHWLDWMM-UHFFFAOYSA-N 0 1 380.813 2.806 20 0 GFADMN COC(=O)c1cncc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000507104590 564217929 /nfs/dbraw/zinc/21/79/29/564217929.db2.gz SARUSXJEMQAVQJ-SECBINFHSA-N 0 1 382.825 2.646 20 0 GFADMN COc1ccc(C(=O)CCC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c(Cl)c1 ZINC000507082147 564218116 /nfs/dbraw/zinc/21/81/16/564218116.db2.gz CXBLIEGALYAPOA-DOTOQJQBSA-N 0 1 384.929 2.816 20 0 GFADMN O=C(Cc1cc(F)ccc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000564193347 564223896 /nfs/dbraw/zinc/22/38/96/564223896.db2.gz HUSORSFMGVVKIE-VIFPVBQESA-N 0 1 384.205 2.626 20 0 GFADMN COc1cc(C)nc(CNCCNC(=O)c2ccc(Br)cc2)c1 ZINC000539711878 564225953 /nfs/dbraw/zinc/22/59/53/564225953.db2.gz GBQNWXJUOYPTQU-UHFFFAOYSA-N 0 1 378.270 2.681 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000507393013 564228091 /nfs/dbraw/zinc/22/80/91/564228091.db2.gz VHRZOYGWBIXXKF-OLZOCXBDSA-N 0 1 388.917 2.668 20 0 GFADMN COc1cc(Br)c(CNCC2(O)Cc3ccccc3C2)cc1O ZINC000539814288 564228575 /nfs/dbraw/zinc/22/85/75/564228575.db2.gz WYSVYFURVKSXPC-UHFFFAOYSA-N 0 1 378.266 2.783 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000539876984 564231418 /nfs/dbraw/zinc/23/14/18/564231418.db2.gz VWPSEMOUKSYGAP-UHFFFAOYSA-N 0 1 391.265 2.818 20 0 GFADMN Cc1c([C@H]2OCC[C@@H]2NCc2cn3ccc(Br)cc3n2)cnn1C ZINC000564413700 564233308 /nfs/dbraw/zinc/23/33/08/564233308.db2.gz FCKOHWWFEWFHBD-DOTOQJQBSA-N 0 1 390.285 2.759 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000564542581 564238670 /nfs/dbraw/zinc/23/86/70/564238670.db2.gz HGXZVGMLXPFOBO-ZDUSSCGKSA-N 0 1 394.313 2.557 20 0 GFADMN Cc1noc(CCN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)n1 ZINC000540174555 564241198 /nfs/dbraw/zinc/24/11/98/564241198.db2.gz LJNYXRNANWOGQT-JTQLQIEISA-N 0 1 391.273 2.923 20 0 GFADMN Cc1nc(-c2cccnc2)sc1[C@H](C)NCCS(=O)(=O)NC(C)(C)C ZINC000540182787 564241204 /nfs/dbraw/zinc/24/12/04/564241204.db2.gz OPGFCDSNFQNOSJ-LBPRGKRZSA-N 0 1 382.555 2.882 20 0 GFADMN O=C(CSCc1cscn1)Nc1ccccc1CN1CCC(O)CC1 ZINC000540421806 564248071 /nfs/dbraw/zinc/24/80/71/564248071.db2.gz RKQFHPAMXCXNNS-UHFFFAOYSA-N 0 1 377.535 2.972 20 0 GFADMN COCCOc1ccnc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)n1 ZINC000508094330 564253588 /nfs/dbraw/zinc/25/35/88/564253588.db2.gz HCJMKFZIXWWQFR-UHFFFAOYSA-N 0 1 389.886 2.678 20 0 GFADMN CC[C@H](C)OCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000508154379 564256452 /nfs/dbraw/zinc/25/64/52/564256452.db2.gz INABHFNMJXMPIG-ZDUSSCGKSA-N 0 1 384.318 2.955 20 0 GFADMN CCCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 ZINC000508230741 564258829 /nfs/dbraw/zinc/25/88/29/564258829.db2.gz GGGWHEDBSHEWHK-UHFFFAOYSA-N 0 1 394.317 2.785 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCC2)cc1Br ZINC000473955113 564259992 /nfs/dbraw/zinc/25/99/92/564259992.db2.gz ZRQKGAGNDMPJSH-ZDUSSCGKSA-N 0 1 375.332 2.910 20 0 GFADMN COCCN1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000508383884 564262562 /nfs/dbraw/zinc/26/25/62/564262562.db2.gz FBMFIJVEQXARPC-UHFFFAOYSA-N 0 1 399.304 2.801 20 0 GFADMN Cc1cc(Br)cn2c(CN[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)cnc12 ZINC000541392680 564277735 /nfs/dbraw/zinc/27/77/35/564277735.db2.gz IRZBPELISGDQFE-PSOPSSQASA-N 0 1 377.286 2.504 20 0 GFADMN CNC(=O)NC(=O)[C@H](C)N1CCC(C)(c2cccc(Br)c2)CC1 ZINC000509052808 564279625 /nfs/dbraw/zinc/27/96/25/564279625.db2.gz FSLKKMXXDUGRMJ-LBPRGKRZSA-N 0 1 382.302 2.647 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(C)C)C2)c(Br)c1 ZINC000474571927 564281802 /nfs/dbraw/zinc/28/18/02/564281802.db2.gz CDVKJJIIZHOUMV-ZDUSSCGKSA-N 0 1 375.332 2.909 20 0 GFADMN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(SC)c1 ZINC000509102676 564282830 /nfs/dbraw/zinc/28/28/30/564282830.db2.gz IMGQZGNGOIAZRC-UHFFFAOYSA-N 0 1 380.491 2.920 20 0 GFADMN COCCN1CC[C@H](NC(=O)N2CCc3c(Br)cccc3[C@H]2C)C1 ZINC000509199520 564286752 /nfs/dbraw/zinc/28/67/52/564286752.db2.gz XWLHUNJNDJMCOM-KGLIPLIRSA-N 0 1 396.329 2.799 20 0 GFADMN CSC[C@@](C)(O)CNCc1c(F)ccc(I)c1F ZINC000474819346 564290364 /nfs/dbraw/zinc/29/03/64/564290364.db2.gz XGEMPXWSNDNISB-LBPRGKRZSA-N 0 1 387.233 2.773 20 0 GFADMN COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1n[nH]c(C2CC2)n1 ZINC000451280927 564296048 /nfs/dbraw/zinc/29/60/48/564296048.db2.gz WYDSTGSNJFKKBW-CQSZACIVSA-N 0 1 391.269 2.545 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000565832936 564298055 /nfs/dbraw/zinc/29/80/55/564298055.db2.gz FGOTVGYIZSOMCQ-UHFFFAOYSA-N 0 1 375.252 2.888 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000475088938 564299504 /nfs/dbraw/zinc/29/95/04/564299504.db2.gz NCZTZAQSTTYSOI-LLVKDONJSA-N 0 1 397.235 2.846 20 0 GFADMN CCCN(C)[C@@H](CNS(=O)(=O)c1cncn1CC)c1ccc(Cl)cc1 ZINC000509635687 564306670 /nfs/dbraw/zinc/30/66/70/564306670.db2.gz RUVOGFNMLVVQJG-INIZCTEOSA-N 0 1 384.933 2.918 20 0 GFADMN O=S1(=O)CCCC[C@H]1CNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000542312151 564309389 /nfs/dbraw/zinc/30/93/89/564309389.db2.gz WDYJHUDXPCPBQW-SJORKVTESA-N 0 1 387.929 2.955 20 0 GFADMN COc1ccccc1[C@H](CNc1cc(Br)cnc1C(N)=O)N(C)C ZINC000542467908 564315698 /nfs/dbraw/zinc/31/56/98/564315698.db2.gz CSORBZYDJUFSGC-AWEZNQCLSA-N 0 1 393.285 2.666 20 0 GFADMN C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000510045683 564323810 /nfs/dbraw/zinc/32/38/10/564323810.db2.gz PVXMDFYGUOMYJO-SECBINFHSA-N 0 1 379.258 2.959 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000566554009 564331696 /nfs/dbraw/zinc/33/16/96/564331696.db2.gz 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564361588 /nfs/dbraw/zinc/36/15/88/564361588.db2.gz FMVAXEAGQFYSKV-UHFFFAOYSA-N 0 1 380.275 2.680 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@]2(CCOC2)C1 ZINC000451895093 564363674 /nfs/dbraw/zinc/36/36/74/564363674.db2.gz DLKQUTMEZRPGGF-INIZCTEOSA-N 0 1 387.343 2.972 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N1CCCC1 ZINC000477136655 564366269 /nfs/dbraw/zinc/36/62/69/564366269.db2.gz CYZWWLXVCVAYQX-HUUCEWRRSA-N 0 1 394.484 2.906 20 0 GFADMN COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1C ZINC000477137144 564366387 /nfs/dbraw/zinc/36/63/87/564366387.db2.gz LDXKWBORKLPAOP-DOTOQJQBSA-N 0 1 384.567 2.512 20 0 GFADMN C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)c1cn(C)cn1 ZINC000567344064 564368170 /nfs/dbraw/zinc/36/81/70/564368170.db2.gz ADAUDKLFBCLSOY-LBPRGKRZSA-N 0 1 392.301 2.575 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cn(C)cn1 ZINC000567344064 564368172 /nfs/dbraw/zinc/36/81/72/564368172.db2.gz ADAUDKLFBCLSOY-LBPRGKRZSA-N 0 1 392.301 2.575 20 0 GFADMN 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Cc1ncc(Br)cc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000455843886 564574067 /nfs/dbraw/zinc/57/40/67/564574067.db2.gz UASMRGPNCFRUSE-AWEZNQCLSA-N 0 1 385.306 2.631 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000519478686 564579147 /nfs/dbraw/zinc/57/91/47/564579147.db2.gz RTXOKIJVYFJQFY-CYBMUJFWSA-N 0 1 391.331 2.563 20 0 GFADMN Cn1nc2c(c1CNC(=O)c1cc(Br)cc3nc[nH]c31)CCCC2 ZINC000572061320 564579822 /nfs/dbraw/zinc/57/98/22/564579822.db2.gz HNXVROMQHRVWSA-UHFFFAOYSA-N 0 1 388.269 2.868 20 0 GFADMN O=S(=O)(Cc1ccccc1Br)Nc1nncn1-c1ccccc1 ZINC000519559716 564580678 /nfs/dbraw/zinc/58/06/78/564580678.db2.gz RGJGCLNIHNWWHK-UHFFFAOYSA-N 0 1 393.266 2.972 20 0 GFADMN CC(C)N(CCOCCO)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000572138056 564582692 /nfs/dbraw/zinc/58/26/92/564582692.db2.gz CNOSEUCSRSFSCE-UHFFFAOYSA-N 0 1 377.312 2.671 20 0 GFADMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCN1CC(C)(C)O ZINC000456021263 564584661 /nfs/dbraw/zinc/58/46/61/564584661.db2.gz HTBHNODFOJSTSV-RRQGHBQHSA-N 0 1 395.341 2.856 20 0 GFADMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000572337269 564590507 /nfs/dbraw/zinc/59/05/07/564590507.db2.gz SKKWRLYFAGQCGF-NSHDSACASA-N 0 1 378.274 2.950 20 0 GFADMN C[C@](N)(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365528 564591511 /nfs/dbraw/zinc/59/15/11/564591511.db2.gz WAYNGAKHMDGQQK-QSJFSLAZSA-N 0 1 379.298 2.697 20 0 GFADMN Fc1ccc(CNCCOC[C@@H]2CCCO2)c(I)c1 ZINC000519812891 564592502 /nfs/dbraw/zinc/59/25/02/564592502.db2.gz NJACPRHKFZJXHP-ZDUSSCGKSA-N 0 1 379.213 2.716 20 0 GFADMN CCc1csc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC000549388035 564593820 /nfs/dbraw/zinc/59/38/20/564593820.db2.gz AMJCUUBFAXXQJY-CQSZACIVSA-N 0 1 380.901 2.717 20 0 GFADMN C[C@@H]1CN(C(=O)CCCc2ccccc2Br)C[C@H](C)N1CCO ZINC000456206250 564595567 /nfs/dbraw/zinc/59/55/67/564595567.db2.gz DCMFPIOKQWHVJP-GASCZTMLSA-N 0 1 383.330 2.685 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)CO1 ZINC000456354934 564601341 /nfs/dbraw/zinc/60/13/41/564601341.db2.gz BPXRJCOZKZVPFX-MGPQQGTHSA-N 0 1 396.329 2.953 20 0 GFADMN C[C@@H](NS(=O)(=O)c1cccc2nsnc21)[C@@H](c1ccccc1)N(C)C ZINC000520328547 564601859 /nfs/dbraw/zinc/60/18/59/564601859.db2.gz GBELCEBEOIGTLE-PXAZEXFGSA-N 0 1 376.507 2.661 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1c[nH]cn1 ZINC000456377167 564603544 /nfs/dbraw/zinc/60/35/44/564603544.db2.gz SWORWBMDNISKMJ-LLVKDONJSA-N 0 1 378.274 2.565 20 0 GFADMN CN(C)Cc1ccc(CNC(=O)Cc2cc[nH]c(=O)c2Br)cc1F ZINC000520497424 564605283 /nfs/dbraw/zinc/60/52/83/564605283.db2.gz TYBQSKXBECWWBV-UHFFFAOYSA-N 0 1 396.260 2.609 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000456393300 564605420 /nfs/dbraw/zinc/60/54/20/564605420.db2.gz XVBFXIMCNCNZSZ-DZGCQCFKSA-N 0 1 394.313 2.818 20 0 GFADMN O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000520619336 564609307 /nfs/dbraw/zinc/60/93/07/564609307.db2.gz UDWBISSNKYEOEH-HNNXBMFYSA-N 0 1 384.307 2.743 20 0 GFADMN CC1(C)CN(C(=O)Nc2ccc(I)cc2F)CCN1 ZINC000572900486 564614886 /nfs/dbraw/zinc/61/48/86/564614886.db2.gz GPLAZHYQCDMXBG-UHFFFAOYSA-N 0 1 377.201 2.646 20 0 GFADMN C[C@@H](O)CN(CC(F)F)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000456558220 564616951 /nfs/dbraw/zinc/61/69/51/564616951.db2.gz PQENFNHDJOCMLW-SECBINFHSA-N 0 1 388.212 2.927 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000456678115 564623957 /nfs/dbraw/zinc/62/39/57/564623957.db2.gz GOBGBUDEFBKWEE-JVXZTZIISA-N 0 1 392.175 2.711 20 0 GFADMN CN(CCNS(=O)(=O)Cc1ccc(Cl)cc1Br)C1CC1 ZINC000485942888 564632738 /nfs/dbraw/zinc/63/27/38/564632738.db2.gz XYFFYBJQUQEMAM-UHFFFAOYSA-N 0 1 381.723 2.616 20 0 GFADMN CC(C)[C@@H]1CN(c2ncc(Cn3cc(Br)cn3)s2)CCN1C ZINC000485997773 564634583 /nfs/dbraw/zinc/63/45/83/564634583.db2.gz CRDVCTSDYHROBM-AWEZNQCLSA-N 0 1 384.347 2.927 20 0 GFADMN CN(CCN1CCCC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551146962 564639301 /nfs/dbraw/zinc/63/93/01/564639301.db2.gz KMJPRIFQVKSQRH-UHFFFAOYSA-N 0 1 381.723 2.819 20 0 GFADMN Cc1cc(Br)c(CN2CCC(c3nnc4n3CCNC4)CC2)s1 ZINC000573608520 564646419 /nfs/dbraw/zinc/64/64/19/564646419.db2.gz ULSOOTNWMGLNKD-UHFFFAOYSA-N 0 1 396.358 2.893 20 0 GFADMN CN1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCCOCC2)CC1 ZINC000486439116 564652711 /nfs/dbraw/zinc/65/27/11/564652711.db2.gz ZYOIODCTLXRYPP-AWEZNQCLSA-N 0 1 396.329 2.956 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)o1 ZINC000486568081 564656780 /nfs/dbraw/zinc/65/67/80/564656780.db2.gz RRTHLUSJKIJCQY-UHFFFAOYSA-N 0 1 396.165 2.908 20 0 GFADMN CC[C@@H](NCc1ccccc1CO)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573895313 564658624 /nfs/dbraw/zinc/65/86/24/564658624.db2.gz OOYZAKAGODJDFI-QGZVFWFLSA-N 0 1 382.913 2.981 20 0 GFADMN Cc1cc(Br)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)s1 ZINC000457393912 564659519 /nfs/dbraw/zinc/65/95/19/564659519.db2.gz RXEMLPUTTYYGMI-LBPRGKRZSA-N 0 1 375.332 2.906 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)cs1 ZINC000486620958 564659668 /nfs/dbraw/zinc/65/96/68/564659668.db2.gz PTGHVXGJJHQTEP-UHFFFAOYSA-N 0 1 378.431 2.892 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1Cl ZINC000486684870 564663183 /nfs/dbraw/zinc/66/31/83/564663183.db2.gz OHNYQXMTQSSYKM-GWCFXTLKSA-N 0 1 379.309 2.717 20 0 GFADMN Cc1cc(Br)c(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)s1 ZINC000457549647 564665421 /nfs/dbraw/zinc/66/54/21/564665421.db2.gz AEIIBHSGBIDKKO-AWEZNQCLSA-N 0 1 388.375 2.821 20 0 GFADMN CCc1nc([C@H](C)NC(=O)c2c(O)cnc3c(Br)cccc32)n[nH]1 ZINC000574388649 564671950 /nfs/dbraw/zinc/67/19/50/564671950.db2.gz HPNUDQVJRWQUKJ-QMMMGPOBSA-N 0 1 390.241 2.874 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)CCN2CCCC2)c(C)cc1Br ZINC000523938060 564674900 /nfs/dbraw/zinc/67/49/00/564674900.db2.gz UTAZRAFUWKHLFF-UHFFFAOYSA-N 0 1 375.332 2.782 20 0 GFADMN O=C(c1ccc(CNCc2ccc(Br)cn2)cc1)N1CCOCC1 ZINC000524341379 564680920 /nfs/dbraw/zinc/68/09/20/564680920.db2.gz NRFCCYFSIOXNDZ-UHFFFAOYSA-N 0 1 390.281 2.606 20 0 GFADMN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)c1ccc2cncn2c1 ZINC000552201179 564681686 /nfs/dbraw/zinc/68/16/86/564681686.db2.gz CRFWTLRMLYGCHS-AWEZNQCLSA-N 0 1 388.265 2.678 20 0 GFADMN COc1ccc(Br)c(CC(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000458029853 564684150 /nfs/dbraw/zinc/68/41/50/564684150.db2.gz VUBCBEZGMJKKAN-UHFFFAOYSA-N 0 1 381.274 2.732 20 0 GFADMN O=C(Nc1n[nH]cc1Br)c1ccc(CN2CCSCC2)cc1 ZINC000552287659 564684615 /nfs/dbraw/zinc/68/46/15/564684615.db2.gz YUQNVHGUPKKMIC-UHFFFAOYSA-N 0 1 381.299 2.973 20 0 GFADMN Cc1c(Br)cccc1CNC(=O)NCCCCN1CCOCC1 ZINC000574701134 564685337 /nfs/dbraw/zinc/68/53/37/564685337.db2.gz QYGOTKZJLPEKLF-UHFFFAOYSA-N 0 1 384.318 2.669 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)NCCc2ccccc2Br)n[nH]1 ZINC000458085834 564687576 /nfs/dbraw/zinc/68/75/76/564687576.db2.gz AFTPXWHTWSEFJU-UHFFFAOYSA-N 0 1 380.290 2.907 20 0 GFADMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3O)cc2o1 ZINC000525173729 564693873 /nfs/dbraw/zinc/69/38/73/564693873.db2.gz HHUSOWHOGWXSLQ-UHFFFAOYSA-N 0 1 385.195 2.802 20 0 GFADMN CC(C)CN1C[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)CC1=O ZINC000525213484 564695760 /nfs/dbraw/zinc/69/57/60/564695760.db2.gz JXMACSIJTAUVIO-SNVBAGLBSA-N 0 1 379.258 2.768 20 0 GFADMN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNCc1ccc(Cl)cc1Cl ZINC000552560102 564695830 /nfs/dbraw/zinc/69/58/30/564695830.db2.gz HRXMOYRRUXHTRS-ZDUSSCGKSA-N 0 1 379.243 2.740 20 0 GFADMN CC[C@@H](O)[C@@H](CC)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458423863 564701462 /nfs/dbraw/zinc/70/14/62/564701462.db2.gz LAHGTMLPMQBSGG-CHWSQXEVSA-N 0 1 396.289 2.583 20 0 GFADMN CC[C@@H](O)[C@@H](CC)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458423863 564701467 /nfs/dbraw/zinc/70/14/67/564701467.db2.gz LAHGTMLPMQBSGG-CHWSQXEVSA-N 0 1 396.289 2.583 20 0 GFADMN Cc1nn(C)c(C)c1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458466408 564702961 /nfs/dbraw/zinc/70/29/61/564702961.db2.gz JMGMECLXTHEVBB-UHFFFAOYSA-N 0 1 391.273 2.675 20 0 GFADMN Nc1nc(NCc2cc(F)c(F)cc2Br)cc(-n2cccn2)n1 ZINC000576489150 564714775 /nfs/dbraw/zinc/71/47/75/564714775.db2.gz LCSBDKMYUGRZHF-UHFFFAOYSA-N 0 1 381.184 2.897 20 0 GFADMN CC(C)CN1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC000488566172 564714901 /nfs/dbraw/zinc/71/49/01/564714901.db2.gz NXMVTUAMRGKFQY-UHFFFAOYSA-N 0 1 386.277 2.634 20 0 GFADMN O=C(CCOc1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000488851790 564722601 /nfs/dbraw/zinc/72/26/01/564722601.db2.gz IPUBJZAINYQCDW-AWEZNQCLSA-N 0 1 387.307 2.943 20 0 GFADMN O=C1[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCN1c1ccccc1 ZINC000553493707 564723146 /nfs/dbraw/zinc/72/31/46/564723146.db2.gz RWTHBPYWSPYTQN-ZDUSSCGKSA-N 0 1 386.807 2.702 20 0 GFADMN CN1CC=C(CNS(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000553522378 564723913 /nfs/dbraw/zinc/72/39/13/564723913.db2.gz IGMAVOLTLFCSIE-UHFFFAOYSA-N 0 1 396.310 2.538 20 0 GFADMN Cc1cc(Br)cc(C)c1CNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000489260260 564734042 /nfs/dbraw/zinc/73/40/42/564734042.db2.gz RZNKQGMVJMPFIM-CABCVRRESA-N 0 1 398.345 2.662 20 0 GFADMN CC(C)(C)[C@@H](CCO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459199764 564736084 /nfs/dbraw/zinc/73/60/84/564736084.db2.gz IDCVNYPWFFSPSF-GFCCVEGCSA-N 0 1 383.290 2.922 20 0 GFADMN CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553799101 564737137 /nfs/dbraw/zinc/73/71/37/564737137.db2.gz FQUMDKFKPUXUBB-UHFFFAOYSA-N 0 1 388.823 2.555 20 0 GFADMN CCOC(=O)c1csc(CCNC(=O)c2cccc(Br)c2O)n1 ZINC000527304029 564738214 /nfs/dbraw/zinc/73/82/14/564738214.db2.gz VFDGPURMTQHACE-UHFFFAOYSA-N 0 1 399.266 2.760 20 0 GFADMN Cn1cc(N2CC[C@@H](NCc3cc4cc(Br)ccc4o3)C2=O)cn1 ZINC000578144271 564741441 /nfs/dbraw/zinc/74/14/41/564741441.db2.gz NSPCCTJVKAXSMV-OAHLLOKOSA-N 0 1 389.253 2.824 20 0 GFADMN COC(=O)C[C@@](C)([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000459490335 564747107 /nfs/dbraw/zinc/74/71/07/564747107.db2.gz VDFWHZXMVAVVES-QGZVFWFLSA-N 0 1 380.286 2.793 20 0 GFADMN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000489779898 564752479 /nfs/dbraw/zinc/75/24/79/564752479.db2.gz OILOAADGSPDQQY-KGLIPLIRSA-N 0 1 397.248 2.722 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1C[C@@H](O)[C@H](CO)C1 ZINC000459715903 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ZINC000655669101 566081351 /nfs/dbraw/zinc/08/13/51/566081351.db2.gz XCGNFTQRNWHOSW-HZPDHXFCSA-N 0 1 387.343 2.885 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CCCCNC1=O ZINC000655714929 566084466 /nfs/dbraw/zinc/08/44/66/566084466.db2.gz GAIXSGVIRJNHPS-MRXNPFEDSA-N 0 1 377.286 2.702 20 0 GFADMN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000680991413 566090119 /nfs/dbraw/zinc/09/01/19/566090119.db2.gz HSTYNTXSYHDTES-CSMYWGQOSA-N 0 1 377.282 2.730 20 0 GFADMN O=C(N[C@H]1CCCN(CCCO)C1)c1oc2ccccc2c1Br ZINC000633255821 566091461 /nfs/dbraw/zinc/09/14/61/566091461.db2.gz DQJWJIWMJPLXCP-LBPRGKRZSA-N 0 1 381.270 2.772 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824929 566091581 /nfs/dbraw/zinc/09/15/81/566091581.db2.gz ZXGQKKWFVMIRQV-SOUVJXGZSA-N 0 1 388.961 2.721 20 0 GFADMN Cc1cc(CCNC(=O)NCc2nc3cccc(Br)c3[nH]2)on1 ZINC000655919017 566095107 /nfs/dbraw/zinc/09/51/07/566095107.db2.gz BYKXZKYYHDSMQQ-UHFFFAOYSA-N 0 1 378.230 2.664 20 0 GFADMN COC(=O)c1csc(NS(=O)(=O)CCCOc2ccc(OC)cc2)c1 ZINC000610753643 566096547 /nfs/dbraw/zinc/09/65/47/566096547.db2.gz QIXMCFYGCRCBOI-UHFFFAOYSA-N 0 1 385.463 2.754 20 0 GFADMN Brc1cnc2c(c1)nccc2N1CCN(C[C@H]2CCCO2)CC1 ZINC000681207803 566097574 /nfs/dbraw/zinc/09/75/74/566097574.db2.gz OAYWXDMJLQHLRC-CQSZACIVSA-N 0 1 377.286 2.693 20 0 GFADMN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)s1 ZINC000681371110 566103557 /nfs/dbraw/zinc/10/35/57/566103557.db2.gz GBBHCERQKXFQBP-AMIZOPFISA-N 0 1 384.445 2.955 20 0 GFADMN Brc1csc2cnc(N3CCN(C[C@@H]4CCCO4)CC3)nc12 ZINC000656106066 566104161 /nfs/dbraw/zinc/10/41/61/566104161.db2.gz KSBTURVAVFQIJY-NSHDSACASA-N 0 1 383.315 2.755 20 0 GFADMN O=C(CCc1nn[nH]n1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000633465241 566104561 /nfs/dbraw/zinc/10/45/61/566104561.db2.gz LTSSTVLYZLMSCI-CQSZACIVSA-N 0 1 378.274 2.519 20 0 GFADMN Ic1cccc(OCCCN2CCc3cn[nH]c3C2)c1 ZINC000611008570 566110340 /nfs/dbraw/zinc/11/03/40/566110340.db2.gz BOALUAAHKHZVQD-UHFFFAOYSA-N 0 1 383.233 2.842 20 0 GFADMN CCN1CCN(C(=O)Nc2ccc(F)cc2I)C[C@@H]1C ZINC000611097897 566113313 /nfs/dbraw/zinc/11/33/13/566113313.db2.gz JOBDJUAQQJWKHI-JTQLQIEISA-N 0 1 391.228 2.988 20 0 GFADMN Brc1ccn2cc(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)nc2c1 ZINC000656281465 566121955 /nfs/dbraw/zinc/12/19/55/566121955.db2.gz YNUKCPZOMUNUOG-QGZVFWFLSA-N 0 1 393.329 2.784 20 0 GFADMN Cc1cccc(CC(=O)NCc2n[nH]c(C3CCOCC3)n2)c1Br ZINC000633990244 566135781 /nfs/dbraw/zinc/13/57/81/566135781.db2.gz YFRNSSRZSOSDNK-UHFFFAOYSA-N 0 1 393.285 2.629 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)c1cccc(Br)c1F ZINC000633989434 566135802 /nfs/dbraw/zinc/13/58/02/566135802.db2.gz GXELXURNOQRWMP-UHFFFAOYSA-N 0 1 383.221 2.530 20 0 GFADMN C[C@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1nnc[nH]1 ZINC000611708104 566140285 /nfs/dbraw/zinc/14/02/85/566140285.db2.gz UESVZIFXMNQEKV-ZETCQYMHSA-N 0 1 388.063 2.750 20 0 GFADMN CO[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000611958249 566146399 /nfs/dbraw/zinc/14/63/99/566146399.db2.gz BNVXIUVJWTULMU-LLVKDONJSA-N 0 1 399.232 2.809 20 0 GFADMN C[C@@H](CNC(=O)[C@H]1CCc2[nH]cnc2C1)Oc1ccccc1Br ZINC000611979007 566147355 /nfs/dbraw/zinc/14/73/55/566147355.db2.gz FDCGUPOULAHUSB-RYUDHWBXSA-N 0 1 378.270 2.861 20 0 GFADMN CCC[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)c1nn[nH]n1 ZINC000612061627 566149772 /nfs/dbraw/zinc/14/97/72/566149772.db2.gz PXYMIESLJOVMCK-AWEZNQCLSA-N 0 1 393.289 2.834 20 0 GFADMN C[C@H]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(Br)c2)O1 ZINC000656710917 566155820 /nfs/dbraw/zinc/15/58/20/566155820.db2.gz NYWWCOMRRFVVPI-JSGCOSHPSA-N 0 1 376.316 2.770 20 0 GFADMN Cc1[nH]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000634616632 566160860 /nfs/dbraw/zinc/16/08/60/566160860.db2.gz RWOSGFABBRSAEY-RNCFNFMXSA-N 0 1 378.347 2.618 20 0 GFADMN Cc1nccnc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000634693231 566170822 /nfs/dbraw/zinc/17/08/22/566170822.db2.gz STIIODSJWUMPOE-LSDHHAIUSA-N 0 1 376.254 2.848 20 0 GFADMN O=S(=O)(NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC000656873464 566171697 /nfs/dbraw/zinc/17/16/97/566171697.db2.gz APRTZWYAPRVHJN-UHFFFAOYSA-N 0 1 375.372 2.587 20 0 GFADMN Cc1nc(CS(=O)(=O)NCC2(N3CCSCC3)CCCCC2)cs1 ZINC000682833550 566172541 /nfs/dbraw/zinc/17/25/41/566172541.db2.gz MEVMPUNIKGRIQT-UHFFFAOYSA-N 0 1 389.612 2.623 20 0 GFADMN C[C@H](NC[C@@H](O)CC1(O)CCOCC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727393 566173798 /nfs/dbraw/zinc/17/37/98/566173798.db2.gz SPQNQTWWYXGNNF-QWRGUYRKSA-N 0 1 388.295 2.813 20 0 GFADMN CCCS(=O)(=O)NCc1ccc(S(=O)(=O)Nc2csc(C)c2)cc1 ZINC000634797532 566179692 /nfs/dbraw/zinc/17/96/92/566179692.db2.gz KOHIAAXYWSKVFV-UHFFFAOYSA-N 0 1 388.536 2.687 20 0 GFADMN C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000656913909 566182331 /nfs/dbraw/zinc/18/23/31/566182331.db2.gz DBUCDCFKDDDWEM-CYBMUJFWSA-N 0 1 378.460 2.594 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000635018508 566188090 /nfs/dbraw/zinc/18/80/90/566188090.db2.gz IICIRYCLOJGPEE-QLJPJBMISA-N 0 1 375.252 2.744 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000635018508 566188092 /nfs/dbraw/zinc/18/80/92/566188092.db2.gz IICIRYCLOJGPEE-QLJPJBMISA-N 0 1 375.252 2.744 20 0 GFADMN O=C([O-])[C@@H]1CCN(CCC[NH+]2CCOCC2)c2ccc(Br)cc21 ZINC000635018938 566189335 /nfs/dbraw/zinc/18/93/35/566189335.db2.gz OOLBOQUMTQRWRA-CQSZACIVSA-N 0 1 383.286 2.550 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000635019250 566189888 /nfs/dbraw/zinc/18/98/88/566189888.db2.gz BPIDKIIDVXWNHI-RHSMWYFYSA-N 0 1 387.263 2.522 20 0 GFADMN CN1CCC[C@@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000683262353 566191275 /nfs/dbraw/zinc/19/12/75/566191275.db2.gz SSDIFJXHXALSKM-SNVBAGLBSA-N 0 1 398.688 2.768 20 0 GFADMN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C1(N(C)C)CC1 ZINC000613610444 566203736 /nfs/dbraw/zinc/20/37/36/566203736.db2.gz HBMANWJTYLVDCX-MRXNPFEDSA-N 0 1 383.330 2.997 20 0 GFADMN CN1CCCC[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000683647772 566207817 /nfs/dbraw/zinc/20/78/17/566207817.db2.gz CZOMXBPDYSNFFO-MRXNPFEDSA-N 0 1 377.286 2.735 20 0 GFADMN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635395630 566210116 /nfs/dbraw/zinc/21/01/16/566210116.db2.gz SFLANWILZYDWLJ-APHBMKBZSA-N 0 1 389.297 2.918 20 0 GFADMN Cc1nc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)n(-c2ccccc2)n1 ZINC000683708218 566210593 /nfs/dbraw/zinc/21/05/93/566210593.db2.gz WGAIQCHIQHIFEO-UHFFFAOYSA-N 0 1 380.832 2.732 20 0 GFADMN O=C(CCCc1nn[nH]n1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000635405575 566210795 /nfs/dbraw/zinc/21/07/95/566210795.db2.gz JVUISTNGCRBLCV-UHFFFAOYSA-N 0 1 378.274 2.523 20 0 GFADMN C[C@@H](NCc1c(Br)cnn1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000683763890 566213194 /nfs/dbraw/zinc/21/31/94/566213194.db2.gz HZYAMFDUKRPJDF-KDOFPFPSSA-N 0 1 393.329 2.734 20 0 GFADMN Cc1nc(CS(=O)(=O)N2CCCN(Cc3ccccc3C)CC2)cs1 ZINC000684095019 566225550 /nfs/dbraw/zinc/22/55/50/566225550.db2.gz AQBOVQFTAZLKRG-UHFFFAOYSA-N 0 1 379.551 2.798 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736236102 598959402 /nfs/dbraw/zinc/95/94/02/598959402.db2.gz GWSCBBJAKBWEPW-ZNMIVQPWSA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736236102 598959403 /nfs/dbraw/zinc/95/94/03/598959403.db2.gz GWSCBBJAKBWEPW-ZNMIVQPWSA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736236102 598959404 /nfs/dbraw/zinc/95/94/04/598959404.db2.gz GWSCBBJAKBWEPW-ZNMIVQPWSA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736236102 598959405 /nfs/dbraw/zinc/95/94/05/598959405.db2.gz GWSCBBJAKBWEPW-ZNMIVQPWSA-N 0 1 378.484 2.652 20 0 GFADMN C[NH+](C)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736759255 598960197 /nfs/dbraw/zinc/96/01/97/598960197.db2.gz LDAJRNXYCWQRFN-INIZCTEOSA-N 0 1 378.415 2.664 20 0 GFADMN C[NH+](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736759255 598960198 /nfs/dbraw/zinc/96/01/98/598960198.db2.gz LDAJRNXYCWQRFN-INIZCTEOSA-N 0 1 378.415 2.664 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736268267 599022279 /nfs/dbraw/zinc/02/22/79/599022279.db2.gz RUYSMEWYFTZMPR-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736268267 599022281 /nfs/dbraw/zinc/02/22/81/599022281.db2.gz RUYSMEWYFTZMPR-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736268267 599022283 /nfs/dbraw/zinc/02/22/83/599022283.db2.gz RUYSMEWYFTZMPR-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736268267 599022286 /nfs/dbraw/zinc/02/22/86/599022286.db2.gz RUYSMEWYFTZMPR-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@@H](CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736018946 599106223 /nfs/dbraw/zinc/10/62/23/599106223.db2.gz YBYLRPPAGAACGN-INIZCTEOSA-N 0 1 399.543 2.766 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000736197886 599137289 /nfs/dbraw/zinc/13/72/89/599137289.db2.gz CPWGMASYZCPVIO-ZDUSSCGKSA-N 0 1 392.492 2.755 20 0 GFADMN C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736243993 599139649 /nfs/dbraw/zinc/13/96/49/599139649.db2.gz BTKGUVPRGYBCBB-LSDHHAIUSA-N 0 1 394.483 2.501 20 0 GFADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736243993 599139651 /nfs/dbraw/zinc/13/96/51/599139651.db2.gz BTKGUVPRGYBCBB-LSDHHAIUSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000817807454 597078078 /nfs/dbraw/zinc/07/80/78/597078078.db2.gz GSMSCDQGUWHIRW-LBPRGKRZSA-N 0 1 382.461 2.516 20 0 GFADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000817807454 597078087 /nfs/dbraw/zinc/07/80/87/597078087.db2.gz GSMSCDQGUWHIRW-LBPRGKRZSA-N 0 1 382.461 2.516 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C)O1 ZINC000736293268 599264093 /nfs/dbraw/zinc/26/40/93/599264093.db2.gz SODONJIEUPEQJJ-KBPBESRZSA-N 0 1 381.484 2.715 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000822223764 607326926 /nfs/dbraw/zinc/32/69/26/607326926.db2.gz JIDCQESNAJXFDR-UHFFFAOYSA-N 0 1 398.420 2.686 20 0 GFADMN C[NH+](C)CCOc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000736769427 598239693 /nfs/dbraw/zinc/23/96/93/598239693.db2.gz SNNXHAPXJQEKAD-UHFFFAOYSA-N 0 1 379.877 2.529 20 0 GFADMN C[NH+](C)CCOc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000736769427 598239694 /nfs/dbraw/zinc/23/96/94/598239694.db2.gz SNNXHAPXJQEKAD-UHFFFAOYSA-N 0 1 379.877 2.529 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736268516 598279203 /nfs/dbraw/zinc/27/92/03/598279203.db2.gz XSCCBGSYHFQLJC-KBPBESRZSA-N 0 1 388.520 2.665 20 0 GFADMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738003976 598458468 /nfs/dbraw/zinc/45/84/68/598458468.db2.gz YSWXPIPEGTZMQI-LJQANCHMSA-N 0 1 396.414 2.657 20 0 GFADMN CCCO[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736489024 598507096 /nfs/dbraw/zinc/50/70/96/598507096.db2.gz SIMQEPRDMXSAIY-AWEZNQCLSA-N 0 1 392.891 2.740 20 0 GFADMN CCC(CC)N(CCOC)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736346256 598614214 /nfs/dbraw/zinc/61/42/14/598614214.db2.gz WTGDERYZLQUAIV-UHFFFAOYSA-N 0 1 380.880 2.596 20 0 GFADMN CCN(C(=O)c1nnc2ccccc2c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736507497 598626881 /nfs/dbraw/zinc/62/68/81/598626881.db2.gz DMCMKBJSIHWBBI-GFCCVEGCSA-N 0 1 389.419 2.739 20 0 GFADMN CC(C)(C)CCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735604209 598749732 /nfs/dbraw/zinc/74/97/32/598749732.db2.gz SGADPKXGMWXCSS-UHFFFAOYSA-N 0 1 387.488 2.597 20 0 GFADMN COc1cccc([C@@H](C)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737122889 598757024 /nfs/dbraw/zinc/75/70/24/598757024.db2.gz YAULDTZSHWRQFC-CQSZACIVSA-N 0 1 382.443 2.898 20 0 GFADMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419327 599362016 /nfs/dbraw/zinc/36/20/16/599362016.db2.gz GIYZPSUWCWHAQQ-VIFPVBQESA-N 0 1 376.342 2.573 20 0 GFADMN Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1OCC[NH+]1CCCC1 ZINC000737275463 599391756 /nfs/dbraw/zinc/39/17/56/599391756.db2.gz VXXULQYBQBSSJX-UHFFFAOYSA-N 0 1 398.492 2.964 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3cc(-c4nn[nH]n4)ccc3OC)n2)cc1 ZINC000821731306 607376781 /nfs/dbraw/zinc/37/67/81/607376781.db2.gz AGZNGKXIROODIX-UHFFFAOYSA-N 0 1 395.448 2.961 20 0 GFADMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238720 599478455 /nfs/dbraw/zinc/47/84/55/599478455.db2.gz ZQPBSLWFNRZEEV-CJNGLKHVSA-N 0 1 380.427 2.822 20 0 GFADMN O=C(/C=C/C1CCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000822923758 599558809 /nfs/dbraw/zinc/55/88/09/599558809.db2.gz UAMNRZYAQLAXIA-RMKNXTFCSA-N 0 1 396.495 2.903 20 0 GFADMN CCc1cc(CNC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)n[nH]1 ZINC000736675378 599602980 /nfs/dbraw/zinc/60/29/80/599602980.db2.gz KQUVZXYXAQKMON-UHFFFAOYSA-N 0 1 382.472 2.520 20 0 GFADMN COc1ccc([C@@H]2CCCN2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821787097 607388008 /nfs/dbraw/zinc/38/80/08/607388008.db2.gz OALAEZXFZPUIMU-SFHVURJKSA-N 0 1 375.436 2.860 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000737987204 599717031 /nfs/dbraw/zinc/71/70/31/599717031.db2.gz UPVQPHBYOTYDJX-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000737987204 599717032 /nfs/dbraw/zinc/71/70/32/599717032.db2.gz UPVQPHBYOTYDJX-UHFFFAOYSA-N 0 1 386.448 2.654 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236131 599719447 /nfs/dbraw/zinc/71/94/47/599719447.db2.gz KMZAFNMMZFDVAI-ZIAGYGMSSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236131 599719449 /nfs/dbraw/zinc/71/94/49/599719449.db2.gz KMZAFNMMZFDVAI-ZIAGYGMSSA-N 0 1 393.484 2.748 20 0 GFADMN CCOc1ccc(C[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C(=O)[O-])cc1 ZINC000737199769 599741179 /nfs/dbraw/zinc/74/11/79/599741179.db2.gz NMAAFSXRJQEWLB-UIBIWLFHSA-N 0 1 376.497 2.706 20 0 GFADMN C[C@H](O)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C1CCCCC1 ZINC000736678892 599780448 /nfs/dbraw/zinc/78/04/48/599780448.db2.gz YQNQHJVEQQDDQW-LBPRGKRZSA-N 0 1 380.510 2.889 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000738458832 599867396 /nfs/dbraw/zinc/86/73/96/599867396.db2.gz CSEBQBJCXMIELH-FQEVSTJZSA-N 0 1 386.423 2.908 20 0 GFADMN C[C@@H](C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000736577899 599887599 /nfs/dbraw/zinc/88/75/99/599887599.db2.gz GOJBOMXHWCWXQC-INIZCTEOSA-N 0 1 383.448 2.948 20 0 GFADMN CCOc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1OCC(=O)[O-] ZINC000737185746 599904997 /nfs/dbraw/zinc/90/49/97/599904997.db2.gz KVUFEONEORGKSK-CABCVRRESA-N 0 1 378.469 2.541 20 0 GFADMN C[C@@H](C[N@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577923 599934279 /nfs/dbraw/zinc/93/42/79/599934279.db2.gz HILKZHVSRWGPNN-LTQQYIGLSA-N 0 1 379.501 2.656 20 0 GFADMN C[C@@H](C[N@@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577923 599934280 /nfs/dbraw/zinc/93/42/80/599934280.db2.gz HILKZHVSRWGPNN-LTQQYIGLSA-N 0 1 379.501 2.656 20 0 GFADMN C[C@@H](C[N@H+](CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580072 599934413 /nfs/dbraw/zinc/93/44/13/599934413.db2.gz XKCZFXPXQGRQPJ-FPTDNZKUSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580072 599934415 /nfs/dbraw/zinc/93/44/15/599934415.db2.gz XKCZFXPXQGRQPJ-FPTDNZKUSA-N 0 1 395.459 2.749 20 0 GFADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1cccc(F)c1 ZINC000540669229 599941457 /nfs/dbraw/zinc/94/14/57/599941457.db2.gz GDTOSRLPPGXPIJ-QUCCMNQESA-N 0 1 384.451 2.850 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615420 599957282 /nfs/dbraw/zinc/95/72/82/599957282.db2.gz NYPTZWDAZDNBIA-CVEARBPZSA-N 0 1 399.495 2.600 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615420 599957284 /nfs/dbraw/zinc/95/72/84/599957284.db2.gz NYPTZWDAZDNBIA-CVEARBPZSA-N 0 1 399.495 2.600 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)N3CCC(CC(=O)[O-])CC3)CCCCC2)CCO1 ZINC000736736181 599958708 /nfs/dbraw/zinc/95/87/08/599958708.db2.gz YCPVYFNNBKQTCR-UHFFFAOYSA-N 0 1 395.544 2.696 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000736455035 599962113 /nfs/dbraw/zinc/96/21/13/599962113.db2.gz LEBLWIOAJXOBQZ-UHFFFAOYSA-N 0 1 377.485 2.525 20 0 GFADMN CCCc1c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041297 599976163 /nfs/dbraw/zinc/97/61/63/599976163.db2.gz RCTVBGTZEOWWID-OAHLLOKOSA-N 0 1 399.495 2.779 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738371770 599976632 /nfs/dbraw/zinc/97/66/32/599976632.db2.gz ZLZCQTDEGOUIPP-VQIMIIECSA-N 0 1 384.480 2.540 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000739628307 599993485 /nfs/dbraw/zinc/99/34/85/599993485.db2.gz ZFFVORWIIXRBIZ-KNQAVFIVSA-N 0 1 392.499 2.979 20 0 GFADMN Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C(=O)[O-] ZINC000738410707 600044753 /nfs/dbraw/zinc/04/47/53/600044753.db2.gz KSZWQQJJVRCSBX-GASCZTMLSA-N 0 1 389.496 2.506 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])c3cccs3)CC2)cs1 ZINC000738855285 600067023 /nfs/dbraw/zinc/06/70/23/600067023.db2.gz PXPSNZDQMAZMBM-HNNXBMFYSA-N 0 1 379.507 2.667 20 0 GFADMN CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000736992221 600086570 /nfs/dbraw/zinc/08/65/70/600086570.db2.gz ZPWWNAGCTIYJQC-HNNXBMFYSA-N 0 1 391.512 2.871 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000738532962 600120173 /nfs/dbraw/zinc/12/01/73/600120173.db2.gz QIJNCJMFAZCNML-UHFFFAOYSA-N 0 1 395.459 2.982 20 0 GFADMN CC(C)(C)C[N@@H+](CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736260910 600127164 /nfs/dbraw/zinc/12/71/64/600127164.db2.gz KTQBDTPMKUTDAM-UHFFFAOYSA-N 0 1 377.268 2.971 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])cc1 ZINC000738553763 600160839 /nfs/dbraw/zinc/16/08/39/600160839.db2.gz HAPRGQRIBFHCGN-WOJBJXKFSA-N 0 1 381.476 2.587 20 0 GFADMN C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000737450045 600225495 /nfs/dbraw/zinc/22/54/95/600225495.db2.gz XXJXMVPTNFZOJB-IBGZPJMESA-N 0 1 386.879 2.852 20 0 GFADMN COc1ccccc1Cc1nn(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c(=S)o1 ZINC000738135273 600282102 /nfs/dbraw/zinc/28/21/02/600282102.db2.gz YYBZPSYFVMZGME-AWEZNQCLSA-N 0 1 389.477 2.949 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000184967924 600310199 /nfs/dbraw/zinc/31/01/99/600310199.db2.gz ZXCDHECRFFZNDR-CVEARBPZSA-N 0 1 380.510 2.660 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000184967345 600310419 /nfs/dbraw/zinc/31/04/19/600310419.db2.gz WQJNLZAIHKPMFQ-HOTGVXAUSA-N 0 1 380.510 2.660 20 0 GFADMN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000736822148 600324322 /nfs/dbraw/zinc/32/43/22/600324322.db2.gz PSWVBSYHNXFLEX-OLZOCXBDSA-N 0 1 394.518 2.847 20 0 GFADMN C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000736822148 600324326 /nfs/dbraw/zinc/32/43/26/600324326.db2.gz PSWVBSYHNXFLEX-OLZOCXBDSA-N 0 1 394.518 2.847 20 0 GFADMN CC[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000736904302 600344485 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COc1ccc(-c2nn[nH]n2)cc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000826182831 607511847 /nfs/dbraw/zinc/51/18/47/607511847.db2.gz VMQMGTHFMPFHDM-UHFFFAOYSA-N 0 1 377.448 2.970 20 0 GFADMN Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc(C)c1OCC(=O)[O-] ZINC000832863583 601533666 /nfs/dbraw/zinc/53/36/66/601533666.db2.gz QROJBGPYTRIKJS-KRWDZBQOSA-N 0 1 396.487 2.943 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000832970494 601534848 /nfs/dbraw/zinc/53/48/48/601534848.db2.gz GXKGKMCVPMCNBW-QAPCUYQASA-N 0 1 395.459 2.838 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@H]1C(=O)[O-] ZINC000828442181 601536555 /nfs/dbraw/zinc/53/65/55/601536555.db2.gz XWCYNVYHJVDGOA-SWLSCSKDSA-N 0 1 387.461 2.591 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC000828433290 601541007 /nfs/dbraw/zinc/54/10/07/601541007.db2.gz TVYMHZLPHMBGGI-TYCQWZJGSA-N 0 1 378.472 2.813 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1C(=O)[O-] ZINC000828437725 601542082 /nfs/dbraw/zinc/54/20/82/601542082.db2.gz AVUSZCYJLMZHQT-RHSMWYFYSA-N 0 1 385.489 2.965 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000833105595 601563899 /nfs/dbraw/zinc/56/38/99/601563899.db2.gz LLDXKGITWMYVLQ-WIYYLYMNSA-N 0 1 391.471 2.597 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000833105595 601563900 /nfs/dbraw/zinc/56/39/00/601563900.db2.gz LLDXKGITWMYVLQ-WIYYLYMNSA-N 0 1 391.471 2.597 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000831369936 601564709 /nfs/dbraw/zinc/56/47/09/601564709.db2.gz LIMMXGPSODXLQJ-PBHICJAKSA-N 0 1 396.443 2.815 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000831369936 601564710 /nfs/dbraw/zinc/56/47/10/601564710.db2.gz LIMMXGPSODXLQJ-PBHICJAKSA-N 0 1 396.443 2.815 20 0 GFADMN O=C(C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833106742 601585859 /nfs/dbraw/zinc/58/58/59/601585859.db2.gz VJLRZSZNGRJZON-LJQANCHMSA-N 0 1 388.508 2.614 20 0 GFADMN O=C(C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)NC1(C(=O)[O-])CCCCC1 ZINC000833106742 601585860 /nfs/dbraw/zinc/58/58/60/601585860.db2.gz VJLRZSZNGRJZON-LJQANCHMSA-N 0 1 388.508 2.614 20 0 GFADMN Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc(C)c1OCC(=O)[O-] ZINC000832865293 601598122 /nfs/dbraw/zinc/59/81/22/601598122.db2.gz ZGWXISZUAKXMBJ-UHFFFAOYSA-N 0 1 399.447 2.519 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3occc3C(=O)[O-])CC2)cs1 ZINC000831500614 601611103 /nfs/dbraw/zinc/61/11/03/601611103.db2.gz KHHBLPWYBHUUDC-ZDUSSCGKSA-N 0 1 379.482 2.850 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cc(C(=O)[O-])co3)CC2)cs1 ZINC000831501064 601611351 /nfs/dbraw/zinc/61/13/51/601611351.db2.gz NGFAYGUPVGJZGS-ZDUSSCGKSA-N 0 1 379.482 2.850 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C(=O)[O-])co3)CC2)cs1 ZINC000831501064 601611352 /nfs/dbraw/zinc/61/13/52/601611352.db2.gz NGFAYGUPVGJZGS-ZDUSSCGKSA-N 0 1 379.482 2.850 20 0 GFADMN CCOc1cccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000830099709 601727827 /nfs/dbraw/zinc/72/78/27/601727827.db2.gz LPJRHRBIQBXVCA-JOCHJYFZSA-N 0 1 382.460 2.935 20 0 GFADMN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000832169922 601729103 /nfs/dbraw/zinc/72/91/03/601729103.db2.gz YQBPMVHPMVRNSJ-JOCHJYFZSA-N 0 1 382.460 2.853 20 0 GFADMN O=C(CCOCc1ccccc1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833103298 601730080 /nfs/dbraw/zinc/73/00/80/601730080.db2.gz UAXNSNIUGCYEMU-QHCPKHFHSA-N 0 1 396.487 2.829 20 0 GFADMN COc1ccc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000832280498 601735739 /nfs/dbraw/zinc/73/57/39/601735739.db2.gz CQCHPTKSPFSLCQ-JGDYFIEFSA-N 0 1 394.471 2.944 20 0 GFADMN O=C([O-])CCC1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000662218672 601842860 /nfs/dbraw/zinc/84/28/60/601842860.db2.gz RFHAKILETZAZLO-UHFFFAOYSA-N 0 1 376.482 2.508 20 0 GFADMN O=C([O-])c1cccc(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000666526032 601868304 /nfs/dbraw/zinc/86/83/04/601868304.db2.gz LSZDTGVNWQSRCE-LJQANCHMSA-N 0 1 381.476 2.749 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@H]3Cc3ccccc3)C2=O)c1 ZINC000833329908 601873830 /nfs/dbraw/zinc/87/38/30/601873830.db2.gz JHOFKICYKFANMK-SFHVURJKSA-N 0 1 393.443 2.818 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826022156 601919213 /nfs/dbraw/zinc/91/92/13/601919213.db2.gz XCESGXOXBBEVBR-WDEREUQCSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826022156 601919214 /nfs/dbraw/zinc/91/92/14/601919214.db2.gz XCESGXOXBBEVBR-WDEREUQCSA-N 0 1 376.400 2.925 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000833221155 601920468 /nfs/dbraw/zinc/92/04/68/601920468.db2.gz CHVUIHUFVCRQBX-KRWDZBQOSA-N 0 1 388.489 2.701 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000833221155 601920472 /nfs/dbraw/zinc/92/04/72/601920472.db2.gz CHVUIHUFVCRQBX-KRWDZBQOSA-N 0 1 388.489 2.701 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000740514463 601924964 /nfs/dbraw/zinc/92/49/64/601924964.db2.gz BZAULGVZYWXBJM-ZWKOTPCHSA-N 0 1 380.510 2.847 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000740514463 601924965 /nfs/dbraw/zinc/92/49/65/601924965.db2.gz BZAULGVZYWXBJM-ZWKOTPCHSA-N 0 1 380.510 2.847 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000740368815 601927239 /nfs/dbraw/zinc/92/72/39/601927239.db2.gz MKKWEVCGLDOVLI-RBSFLKMASA-N 0 1 391.434 2.784 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000740640907 601938321 /nfs/dbraw/zinc/93/83/21/601938321.db2.gz GBLAVSRZZDHHFW-UWJYYQICSA-N 0 1 393.487 2.750 20 0 GFADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618589 601947018 /nfs/dbraw/zinc/94/70/18/601947018.db2.gz UJRYOAVISBYBGH-KBPBESRZSA-N 0 1 380.514 2.787 20 0 GFADMN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618589 601947021 /nfs/dbraw/zinc/94/70/21/601947021.db2.gz UJRYOAVISBYBGH-KBPBESRZSA-N 0 1 380.514 2.787 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738629007 601954092 /nfs/dbraw/zinc/95/40/92/601954092.db2.gz GEWTWIIPFAMCRE-QWRGUYRKSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738629007 601954095 /nfs/dbraw/zinc/95/40/95/601954095.db2.gz GEWTWIIPFAMCRE-QWRGUYRKSA-N 0 1 375.347 2.502 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000740644479 601956497 /nfs/dbraw/zinc/95/64/97/601956497.db2.gz YKEOQZMULQTKKD-SCLBCKFNSA-N 0 1 391.468 2.682 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000740644479 601956499 /nfs/dbraw/zinc/95/64/99/601956499.db2.gz YKEOQZMULQTKKD-SCLBCKFNSA-N 0 1 391.468 2.682 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000739585325 601966030 /nfs/dbraw/zinc/96/60/30/601966030.db2.gz POQQUUBUPJPSSZ-KBPBESRZSA-N 0 1 376.375 2.519 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000739585327 601966392 /nfs/dbraw/zinc/96/63/92/601966392.db2.gz POQQUUBUPJPSSZ-UONOGXRCSA-N 0 1 376.375 2.519 20 0 GFADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCN1C(=O)CS/C1=C\C(=O)[O-])CCC2 ZINC000830322758 602056704 /nfs/dbraw/zinc/05/67/04/602056704.db2.gz NKUDNCZUNGWSJB-ATTDUZETSA-N 0 1 395.550 2.906 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739109304 602080386 /nfs/dbraw/zinc/08/03/86/602080386.db2.gz ZSFVDVUDBPIVOC-DLBZAZTESA-N 0 1 388.512 2.860 20 0 GFADMN Cc1ccc(CN(C(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)C(C)C)s1 ZINC000740122678 602101266 /nfs/dbraw/zinc/10/12/66/602101266.db2.gz TWSAZWUCFKJSKB-UHFFFAOYSA-N 0 1 382.530 2.662 20 0 GFADMN C[C@@H](CC(=O)[O-])C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000827311879 602104126 /nfs/dbraw/zinc/10/41/26/602104126.db2.gz XJQMTCQJKZNHQG-QWHCGFSZSA-N 0 1 379.432 2.688 20 0 GFADMN C[C@@H](CC(=O)[O-])C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000827311879 602104129 /nfs/dbraw/zinc/10/41/29/602104129.db2.gz XJQMTCQJKZNHQG-QWHCGFSZSA-N 0 1 379.432 2.688 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)C1 ZINC000739082749 602133909 /nfs/dbraw/zinc/13/39/09/602133909.db2.gz VWSUBDBHHHSGOQ-BBWFWOEESA-N 0 1 382.549 2.774 20 0 GFADMN O=C([O-])NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000740637170 602145613 /nfs/dbraw/zinc/14/56/13/602145613.db2.gz TXSXZMBDWBULRE-OALUTQOASA-N 0 1 388.512 2.730 20 0 GFADMN O=C([O-])NC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740637184 602151312 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Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000823826546 608049914 /nfs/dbraw/zinc/04/99/14/608049914.db2.gz LCMARGMFQJKRPQ-CYBMUJFWSA-N 0 1 377.290 2.694 20 0 GFADMN CC[NH+]1CCN(c2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2)CC1 ZINC000825464861 608170249 /nfs/dbraw/zinc/17/02/49/608170249.db2.gz DXJFWQZFVZTPSV-UHFFFAOYSA-N 0 1 390.904 2.862 20 0 GFADMN CC[NH+]1CCN(c2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2)CC1 ZINC000825464861 608170250 /nfs/dbraw/zinc/17/02/50/608170250.db2.gz DXJFWQZFVZTPSV-UHFFFAOYSA-N 0 1 390.904 2.862 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CCN1C ZINC000824860301 608202526 /nfs/dbraw/zinc/20/25/26/608202526.db2.gz TWJDLNWBOWIOPV-GJZGRUSLSA-N 0 1 376.464 2.698 20 0 GFADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1ccnc(-c2nn[nH]n2)c1 ZINC000826295550 608256881 /nfs/dbraw/zinc/25/68/81/608256881.db2.gz MHCUEKZTGLHIJH-UHFFFAOYSA-N 0 1 375.392 2.626 20 0 GFADMN CC[N@H+](CCc1nccs1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825429197 608316924 /nfs/dbraw/zinc/31/69/24/608316924.db2.gz YFDWBYDAUXEFQN-UHFFFAOYSA-N 0 1 394.508 2.882 20 0 GFADMN CC[N@@H+](CCc1nccs1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825429197 608316925 /nfs/dbraw/zinc/31/69/25/608316925.db2.gz YFDWBYDAUXEFQN-UHFFFAOYSA-N 0 1 394.508 2.882 20 0 GFADMN CC[N@H+](CCc1nccs1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825429197 608316927 /nfs/dbraw/zinc/31/69/27/608316927.db2.gz YFDWBYDAUXEFQN-UHFFFAOYSA-N 0 1 394.508 2.882 20 0 GFADMN CC[N@@H+](CCc1nccs1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825429197 608316929 /nfs/dbraw/zinc/31/69/29/608316929.db2.gz YFDWBYDAUXEFQN-UHFFFAOYSA-N 0 1 394.508 2.882 20 0 GFADMN CCCCCC(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825268581 608355336 /nfs/dbraw/zinc/35/53/36/608355336.db2.gz VISXMQIZGDLPPU-UHFFFAOYSA-N 0 1 386.500 2.536 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000826168859 608358371 /nfs/dbraw/zinc/35/83/71/608358371.db2.gz ASIGOLCDOHYBPI-QGZVFWFLSA-N 0 1 393.447 2.984 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824108700 608387718 /nfs/dbraw/zinc/38/77/18/608387718.db2.gz JJJNNAOGCSBGFF-CYBMUJFWSA-N 0 1 390.463 2.743 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562054 608485709 /nfs/dbraw/zinc/48/57/09/608485709.db2.gz CEWLCYDRDNWRNR-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000826412695 608531699 /nfs/dbraw/zinc/53/16/99/608531699.db2.gz ZMNGQDOLIWDDND-UHFFFAOYSA-N 0 1 392.507 2.530 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1-c1nn[nH]n1 ZINC000826229648 608576982 /nfs/dbraw/zinc/57/69/82/608576982.db2.gz LVRQKUUJILRGCG-UHFFFAOYSA-N 0 1 393.432 2.937 20 0 GFADMN CCCCN(CC(N)=O)Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825282687 608598423 /nfs/dbraw/zinc/59/84/23/608598423.db2.gz WIFHFFSYBVXHIN-UHFFFAOYSA-N 0 1 394.479 2.533 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC000824109083 608638502 /nfs/dbraw/zinc/63/85/02/608638502.db2.gz MUGGSVLBWSTLJB-GFCCVEGCSA-N 0 1 378.502 2.807 20 0 GFADMN O=C(CC1CCCC1)NC1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826403994 608649656 /nfs/dbraw/zinc/64/96/56/608649656.db2.gz KTJBYEHPEMWGKF-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN O=C(NC[C@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000826434429 608661897 /nfs/dbraw/zinc/66/18/97/608661897.db2.gz MIRXYEDJTRPUFM-MRXNPFEDSA-N 0 1 382.493 2.713 20 0 GFADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826322145 608829189 /nfs/dbraw/zinc/82/91/89/608829189.db2.gz ADLJHKQERJKGGE-GOSISDBHSA-N 0 1 388.435 2.659 20 0 GFADMN c1ccc2c(c1)OCC[C@@H]2CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513692 608852217 /nfs/dbraw/zinc/85/22/17/608852217.db2.gz SUJIDFKLTIBMDX-YLJYHZDGSA-N 0 1 377.448 2.806 20 0 GFADMN c1nc(-c2ccccc2)[nH]c1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826519192 608855902 /nfs/dbraw/zinc/85/59/02/608855902.db2.gz NPRMRZOYMYSQTD-LJQANCHMSA-N 0 1 387.447 2.830 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000824047095 609147130 /nfs/dbraw/zinc/14/71/30/609147130.db2.gz XEEPPTOHKFECDO-JKSUJKDBSA-N 0 1 392.463 2.595 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](COc2ccccc2)C1 ZINC000824046470 609147335 /nfs/dbraw/zinc/14/73/35/609147335.db2.gz SJDVZNYPKAYXJM-CVEARBPZSA-N 0 1 392.463 2.595 20 0 GFADMN O=C(O[C@H]1C=CCC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826462318 609159401 /nfs/dbraw/zinc/15/94/01/609159401.db2.gz VBPRLIIYUNKYCH-ZDUSSCGKSA-N 0 1 396.407 2.593 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(Cl)nc1 ZINC000824545389 609168964 /nfs/dbraw/zinc/16/89/64/609168964.db2.gz CGBCFLYGIORTSJ-WBMJQRKESA-N 0 1 397.870 2.761 20 0 GFADMN CC/C(C)=C(\C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825050743 609191705 /nfs/dbraw/zinc/19/17/05/609191705.db2.gz LHNCJXBXGPTQNV-OUKQBFOZSA-N 0 1 397.439 2.510 20 0 GFADMN O=C(CCN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000826407519 609270174 /nfs/dbraw/zinc/27/01/74/609270174.db2.gz PVUPPLQWJHUKHN-UHFFFAOYSA-N 0 1 377.448 2.983 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2ccc3c(c2)COC3)c2ccc(Cl)cc12 ZINC000826501442 609312182 /nfs/dbraw/zinc/31/21/82/609312182.db2.gz QDRZUBUDSCBURX-UHFFFAOYSA-N 0 1 379.807 2.914 20 0 GFADMN C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531885 609323824 /nfs/dbraw/zinc/32/38/24/609323824.db2.gz RFWXEVRNEWDBET-FOIQADDNSA-N 0 1 396.470 2.730 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1COc1ccccc1-c1nnc[nH]1 ZINC000823820723 609326326 /nfs/dbraw/zinc/32/63/26/609326326.db2.gz JEWGYABIQOEGLD-UHFFFAOYSA-N 0 1 398.224 2.993 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824530241 609333249 /nfs/dbraw/zinc/33/32/49/609333249.db2.gz KIAPWPGDQWPKFR-NWDGAFQWSA-N 0 1 380.427 2.937 20 0 GFADMN O[C@@]12CCCC[C@@H]1CN(Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506526 609364993 /nfs/dbraw/zinc/36/49/93/609364993.db2.gz WKPKVCURHKWOCE-RHSMWYFYSA-N 0 1 392.301 2.756 20 0 GFADMN O=S(=O)(Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826493048 609529969 /nfs/dbraw/zinc/52/99/69/609529969.db2.gz PYSHBTXSAYYXMS-UHFFFAOYSA-N 0 1 391.840 2.646 20 0 GFADMN COC[C@@H](C)n1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)n1 ZINC000505968077 650442187 /nfs/dbraw/zinc/44/21/87/650442187.db2.gz ODFRNOKFWNMAQS-SECBINFHSA-N 0 1 378.230 2.982 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC[C@@H](O)c1ccc(F)cn1 ZINC000818991199 660242158 /nfs/dbraw/zinc/24/21/58/660242158.db2.gz YYFSHWUTCUNZQW-OAHLLOKOSA-N 0 1 382.233 2.553 20 0 GFADMN CCOc1cc(Cl)ccc1CNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819185144 660249268 /nfs/dbraw/zinc/24/92/68/660249268.db2.gz IGROVKXGVMMXBT-QGZVFWFLSA-N 0 1 383.897 2.965 20 0 GFADMN CCc1nn(C)c(OC)c1CNC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819205192 660250108 /nfs/dbraw/zinc/25/01/08/660250108.db2.gz GFJDIPHRGKOSNC-OAHLLOKOSA-N 0 1 386.265 2.716 20 0 GFADMN CS(=O)(=O)CCNCCOc1c(Cl)cc(Br)cc1Cl ZINC000819211235 660250336 /nfs/dbraw/zinc/25/03/36/660250336.db2.gz XBWRYCRGUNDUHV-UHFFFAOYSA-N 0 1 391.114 2.769 20 0 GFADMN O=S(=O)(CCNC[C@@H](O)c1ccc(F)cc1Cl)CCc1ccccc1 ZINC000819291066 660253780 /nfs/dbraw/zinc/25/37/80/660253780.db2.gz KHKSNTHAOOOAOS-GOSISDBHSA-N 0 1 385.888 2.760 20 0 GFADMN CC(C)[C@H](NC[C@](C)(O)c1ccc(Br)cc1F)c1nncn1C ZINC000819304526 660254404 /nfs/dbraw/zinc/25/44/04/660254404.db2.gz WYXBSSXWFUGFEF-HOCLYGCPSA-N 0 1 385.281 2.911 20 0 GFADMN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000819551549 660263029 /nfs/dbraw/zinc/26/30/29/660263029.db2.gz IFJWGBZIQRZYRV-SNVBAGLBSA-N 0 1 393.267 2.657 20 0 GFADMN Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1Br ZINC000819690388 660267404 /nfs/dbraw/zinc/26/74/04/660267404.db2.gz SOTNCJCYTSIXPT-QWRGUYRKSA-N 0 1 399.289 2.562 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000819635201 660265792 /nfs/dbraw/zinc/26/57/92/660265792.db2.gz CNHBJJHLAQKNGR-INIZCTEOSA-N 0 1 389.323 2.986 20 0 GFADMN COc1cc2nccc(NCCCc3cnn(C)n3)c2cc1Br ZINC000819931867 660275541 /nfs/dbraw/zinc/27/55/41/660275541.db2.gz XBYYSRHOMNETBR-UHFFFAOYSA-N 0 1 376.258 2.601 20 0 GFADMN O=C(c1cc(Cl)ncc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000819966709 660276547 /nfs/dbraw/zinc/27/65/47/660276547.db2.gz DCCOPYQPNUYLGD-SSDOTTSWSA-N 0 1 387.621 2.606 20 0 GFADMN O=C(c1sc(N2CCCC2)nc1Cl)N1CCC(C2N=NC(=O)O2)CC1 ZINC000820064105 660279912 /nfs/dbraw/zinc/27/99/12/660279912.db2.gz RVZORNKFRACWOM-UHFFFAOYSA-N 0 1 383.861 2.505 20 0 GFADMN O=C(/C=C\[C@@H]1CCCO1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000820571598 660297679 /nfs/dbraw/zinc/29/76/79/660297679.db2.gz LUQPIXZSPRRPPK-WSROAFLRSA-N 0 1 392.253 2.936 20 0 GFADMN O=C(/C=C\[C@@H]1CCCO1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000820571598 660297680 /nfs/dbraw/zinc/29/76/80/660297680.db2.gz LUQPIXZSPRRPPK-WSROAFLRSA-N 0 1 392.253 2.936 20 0 GFADMN CN1CC(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)=NC1=O ZINC000821520630 660328240 /nfs/dbraw/zinc/32/82/40/660328240.db2.gz MZLVYFFGTOINNW-ZDUSSCGKSA-N 0 1 383.235 2.676 20 0 GFADMN C[C@H](C1CC1)n1cc(NC(=O)c2cnc(I)c(O)c2)cn1 ZINC000822125492 660340755 /nfs/dbraw/zinc/34/07/55/660340755.db2.gz RLKJIHSHNYOORN-MRVPVSSYSA-N 0 1 398.204 2.812 20 0 GFADMN CS(=O)(=O)Nc1ccc(N2CCN(CC[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822804064 660354717 /nfs/dbraw/zinc/35/47/17/660354717.db2.gz VTSIKLVLVUIVSO-ZDUSSCGKSA-N 0 1 392.352 2.764 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000823024172 660359971 /nfs/dbraw/zinc/35/99/71/660359971.db2.gz YIRWSYGQFIJCJD-GFCCVEGCSA-N 0 1 384.217 2.797 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000823378735 660370266 /nfs/dbraw/zinc/37/02/66/660370266.db2.gz XJFNZNOJGDCQCU-YPMHNXCESA-N 0 1 384.217 2.652 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NOCC1CCC1 ZINC000824049727 660384477 /nfs/dbraw/zinc/38/44/77/660384477.db2.gz ZRBCGXHAZQLSLT-UHFFFAOYSA-N 0 1 380.246 2.765 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NOCC1CCC1 ZINC000824049727 660384479 /nfs/dbraw/zinc/38/44/79/660384479.db2.gz ZRBCGXHAZQLSLT-UHFFFAOYSA-N 0 1 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Cc1[nH]ncc1CCCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298391427 563354023 /nfs/dbraw/zinc/35/40/23/563354023.db2.gz VIDHRAVBANKHOH-MRXNPFEDSA-N 0 1 395.301 2.788 20 0 GFADMN Cc1n[nH]c(CCNC(=O)Cc2csc3ccc(Br)cc23)n1 ZINC000280874201 563358849 /nfs/dbraw/zinc/35/88/49/563358849.db2.gz LMHLGZKJQXPJGI-UHFFFAOYSA-N 0 1 379.283 2.992 20 0 GFADMN COC(=O)C[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000423250334 563359334 /nfs/dbraw/zinc/35/93/34/563359334.db2.gz QDRFKBCSUMPCQE-HNNXBMFYSA-N 0 1 397.313 2.658 20 0 GFADMN O=C(CSCc1ccc(Br)cc1)NC1(c2nnc[nH]2)CCC1 ZINC000280937475 563361877 /nfs/dbraw/zinc/36/18/77/563361877.db2.gz YUEZKDXGWDUQGE-UHFFFAOYSA-N 0 1 381.299 2.996 20 0 GFADMN CC(C)[C@H](NCCC(=O)Nc1ccccc1Br)c1nncn1C ZINC000298670306 563363147 /nfs/dbraw/zinc/36/31/47/563363147.db2.gz YMEUXFICZAOMLD-HNNXBMFYSA-N 0 1 380.290 2.893 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000298673673 563363264 /nfs/dbraw/zinc/36/32/64/563363264.db2.gz UXOFKQIMFQABNE-AWEZNQCLSA-N 0 1 378.464 2.630 20 0 GFADMN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000298812030 563367503 /nfs/dbraw/zinc/36/75/03/563367503.db2.gz FZBLTTFVOFPDLJ-HUUCEWRRSA-N 0 1 393.285 2.925 20 0 GFADMN CCOc1cc(CN2CC[C@@](C)(C(=O)NC)C2)cc(Br)c1OC ZINC000281178382 563368373 /nfs/dbraw/zinc/36/83/73/563368373.db2.gz REBFUKZVILVRPX-QGZVFWFLSA-N 0 1 385.302 2.814 20 0 GFADMN COCc1cc(Cl)ccc1NS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 ZINC000424089091 563370278 /nfs/dbraw/zinc/37/02/78/563370278.db2.gz VDQJZANDLSSRJS-UHFFFAOYSA-N 0 1 384.841 2.777 20 0 GFADMN O=C(c1cc(S(=O)(=O)Nc2ccc3scnc3c2)c[nH]1)N1CCCC1 ZINC000299532978 563385790 /nfs/dbraw/zinc/38/57/90/563385790.db2.gz NOPVQFYMWGPMAH-UHFFFAOYSA-N 0 1 376.463 2.661 20 0 GFADMN CSc1ccc(OCCN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000282003732 563393653 /nfs/dbraw/zinc/39/36/53/563393653.db2.gz DCEFRSKCNRHRCA-UHFFFAOYSA-N 0 1 384.567 2.677 20 0 GFADMN COCc1nc2n(n1)C[C@@H](NCc1c(F)ccc(Br)c1F)CC2 ZINC000281998571 563393725 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CSc1c(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cnn1C ZINC000425294136 563417174 /nfs/dbraw/zinc/41/71/74/563417174.db2.gz FRAHEPOWYSZLFR-UHFFFAOYSA-N 0 1 376.873 2.553 20 0 GFADMN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cnc(-c3cccs3)s2)C1 ZINC000375767718 563417829 /nfs/dbraw/zinc/41/78/29/563417829.db2.gz ICWNGXNGGFCDGT-GFCCVEGCSA-N 0 1 383.564 2.918 20 0 GFADMN O=C(Cc1ccc(F)cc1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329505 563417981 /nfs/dbraw/zinc/41/79/81/563417981.db2.gz ZZZBBPRAUUJJHL-UHFFFAOYSA-N 0 1 384.205 2.626 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000375799457 563418684 /nfs/dbraw/zinc/41/86/84/563418684.db2.gz ZABGGJYINVYYAD-DQYPLSBCSA-N 0 1 386.323 2.851 20 0 GFADMN COC(=O)[C@@H]1CN(Cc2cc(C)n(C)n2)C[C@H]1c1ccc(Br)cc1 ZINC000425345262 563418950 /nfs/dbraw/zinc/41/89/50/563418950.db2.gz GBXKALGHCHJLHU-DLBZAZTESA-N 0 1 392.297 2.880 20 0 GFADMN COc1ccc([C@@H]2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)C2)cc1 ZINC000425394696 563420461 /nfs/dbraw/zinc/42/04/61/563420461.db2.gz FWAHFEPKRFENGA-OAHLLOKOSA-N 0 1 380.535 2.997 20 0 GFADMN Cc1nc(CN2CCN(c3ccc4cccc(Br)c4n3)CC2)n[nH]1 ZINC000302178829 563423175 /nfs/dbraw/zinc/42/31/75/563423175.db2.gz RICDPWSHALXNBF-UHFFFAOYSA-N 0 1 387.285 2.746 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000425479913 563424783 /nfs/dbraw/zinc/42/47/83/563424783.db2.gz ORXANJINYCZNDC-UHFFFAOYSA-N 0 1 384.318 2.701 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 ZINC000375999421 563426378 /nfs/dbraw/zinc/42/63/78/563426378.db2.gz OEYZAZPJSAAZGP-JTQLQIEISA-N 0 1 393.684 2.770 20 0 GFADMN COc1ccc(Br)cc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376166884 563431781 /nfs/dbraw/zinc/43/17/81/563431781.db2.gz OMKMLRIJSSUZMP-IUODEOHRSA-N 0 1 382.302 2.693 20 0 GFADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000283020156 563432850 /nfs/dbraw/zinc/43/28/50/563432850.db2.gz JRZIEKAMVCMARS-QFYYESIMSA-N 0 1 383.279 2.511 20 0 GFADMN O=S(=O)(NCc1cccc(-n2cncn2)c1)c1c(Cl)ccc(F)c1F ZINC000376264311 563435405 /nfs/dbraw/zinc/43/54/05/563435405.db2.gz GOQJFTHGUHLWBK-UHFFFAOYSA-N 0 1 384.795 2.677 20 0 GFADMN O=S(=O)(c1c(Cl)cccc1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000314578595 563439537 /nfs/dbraw/zinc/43/95/37/563439537.db2.gz VPLVTWDFWZVMCM-LLVKDONJSA-N 0 1 393.734 2.961 20 0 GFADMN CCN(CCNC(=O)N1CCN(c2cccs2)CC1)CCC(F)(F)F ZINC000425982703 563441544 /nfs/dbraw/zinc/44/15/44/563441544.db2.gz YFOZYRQMZDSGEY-UHFFFAOYSA-N 0 1 378.464 2.854 20 0 GFADMN O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000317829839 563443239 /nfs/dbraw/zinc/44/32/39/563443239.db2.gz PHPNLOKLSUIHBM-GFCCVEGCSA-N 0 1 391.306 2.837 20 0 GFADMN O=C(NCCN1CCC(O)CC1)c1cc(C(F)(F)F)ccc1Br ZINC000321770644 563448551 /nfs/dbraw/zinc/44/85/51/563448551.db2.gz PNWQEGYYJQFPLQ-UHFFFAOYSA-N 0 1 395.219 2.654 20 0 GFADMN CN(C(=O)c1ccc(Br)c2c1OCCC2)[C@@H]1CN2CCC1CC2 ZINC000426304041 563448543 /nfs/dbraw/zinc/44/85/43/563448543.db2.gz AYDCRZJTZYEOII-MRXNPFEDSA-N 0 1 379.298 2.940 20 0 GFADMN Cc1cc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)n[nH]1 ZINC000283661091 563450351 /nfs/dbraw/zinc/45/03/51/563450351.db2.gz QHQMIYSDODUIQP-LBPRGKRZSA-N 0 1 391.269 2.825 20 0 GFADMN C[C@H](NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Br)cc1 ZINC000324301732 563452435 /nfs/dbraw/zinc/45/24/35/563452435.db2.gz QMOFXOXYHQKOQW-HUBLWGQQSA-N 0 1 383.286 2.669 20 0 GFADMN O=C1CC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)[C@H](C2CC2)N1 ZINC000376772633 563454177 /nfs/dbraw/zinc/45/41/77/563454177.db2.gz MQGSAMRGKOXIAB-WBVHZDCISA-N 0 1 380.279 2.721 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000326672470 563455159 /nfs/dbraw/zinc/45/51/59/563455159.db2.gz NAWLXXSNFMUZEZ-INIZCTEOSA-N 0 1 375.252 2.745 20 0 GFADMN CS(=O)(=O)c1cccc(Cl)c1CNc1ccc(N2CC[NH+]=C2[O-])cc1 ZINC000326870246 563456428 /nfs/dbraw/zinc/45/64/28/563456428.db2.gz XKSMHYIYPMRLHA-UHFFFAOYSA-N 0 1 379.869 2.885 20 0 GFADMN COc1cc(Br)c(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1OC ZINC000283840835 563456952 /nfs/dbraw/zinc/45/69/52/563456952.db2.gz FOPVURWIPIJIHG-LRDDRELGSA-N 0 1 390.318 2.714 20 0 GFADMN O=C([C@@H]1CCC[N@H+]1C1CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000426992541 563457853 /nfs/dbraw/zinc/45/78/53/563457853.db2.gz VFNDPRWBGXMLKS-INIZCTEOSA-N 0 1 385.277 2.536 20 0 GFADMN O=C([C@@H]1CCCN1C1CC1)N(CCO)Cc1cc(Br)ccc1F ZINC000426992541 563457857 /nfs/dbraw/zinc/45/78/57/563457857.db2.gz VFNDPRWBGXMLKS-INIZCTEOSA-N 0 1 385.277 2.536 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)c2)n1 ZINC000328676781 563463318 /nfs/dbraw/zinc/46/33/18/563463318.db2.gz RVZLGHFSBHGYQH-YVEFUNNKSA-N 0 1 377.535 2.880 20 0 GFADMN Cc1ncc(CN2CC[C@H](NC(=O)c3c(C)nn(C)c3Cl)[C@@H](C)C2)s1 ZINC000377230578 563467891 /nfs/dbraw/zinc/46/78/91/563467891.db2.gz CSWZIKQXGWEEJO-HZMBPMFUSA-N 0 1 381.933 2.787 20 0 GFADMN CN(C)c1ccncc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427533895 563468864 /nfs/dbraw/zinc/46/88/64/563468864.db2.gz MCQLZUYKJHDOGF-UHFFFAOYSA-N 0 1 384.299 2.606 20 0 GFADMN CC1CCN(CC(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000427541699 563468898 /nfs/dbraw/zinc/46/88/98/563468898.db2.gz RGYSSJUIZMNUMN-UHFFFAOYSA-N 0 1 375.332 2.563 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000328994629 563469744 /nfs/dbraw/zinc/46/97/44/563469744.db2.gz DZZPWKLGABXPAK-KBXIAJHMSA-N 0 1 391.269 2.659 20 0 GFADMN CN(Cc1c(F)cccc1OC(F)(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000284368464 563472199 /nfs/dbraw/zinc/47/21/99/563472199.db2.gz NMSXKAKFVXTTAM-UHFFFAOYSA-N 0 1 384.395 2.580 20 0 GFADMN Cc1nnnn1-c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1C ZINC000377374028 563473128 /nfs/dbraw/zinc/47/31/28/563473128.db2.gz PAHPFPIMUKRGGI-UHFFFAOYSA-N 0 1 381.820 2.872 20 0 GFADMN O=C(CCCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1)NC1CC1 ZINC000377454044 563474991 /nfs/dbraw/zinc/47/49/91/563474991.db2.gz DDRWAZYOHHALKX-UHFFFAOYSA-N 0 1 383.945 2.789 20 0 GFADMN COc1cc(Br)ccc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000377476499 563477148 /nfs/dbraw/zinc/47/71/48/563477148.db2.gz ILDQESQDMCBPBR-CYBMUJFWSA-N 0 1 397.313 2.783 20 0 GFADMN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000427944750 563479044 /nfs/dbraw/zinc/47/90/44/563479044.db2.gz BQHPYQCOGBABDU-SSDOTTSWSA-N 0 1 375.741 2.960 20 0 GFADMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000329410217 563479818 /nfs/dbraw/zinc/47/98/18/563479818.db2.gz DQDGXWWAFPKCGJ-SMDDNHRTSA-N 0 1 377.901 2.981 20 0 GFADMN Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000377741789 563484872 /nfs/dbraw/zinc/48/48/72/563484872.db2.gz KFUGMURKWVRBQA-GOEBONIOSA-N 0 1 383.901 2.916 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000377777641 563486113 /nfs/dbraw/zinc/48/61/13/563486113.db2.gz NURUCIYRCMUEBH-CORIIIEPSA-N 0 1 391.269 2.666 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000377777641 563486116 /nfs/dbraw/zinc/48/61/16/563486116.db2.gz NURUCIYRCMUEBH-CORIIIEPSA-N 0 1 391.269 2.666 20 0 GFADMN Cn1ccnc1[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890690 563489981 /nfs/dbraw/zinc/48/99/81/563489981.db2.gz XUJHJXJELOSKHS-CYBMUJFWSA-N 0 1 378.270 2.943 20 0 GFADMN C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H](c2ccsc2)O1 ZINC000329892568 563490981 /nfs/dbraw/zinc/49/09/81/563490981.db2.gz AHHIMSRHIPJJAB-DOMZBBRYSA-N 0 1 377.491 2.532 20 0 GFADMN COc1cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Br ZINC000377937463 563491808 /nfs/dbraw/zinc/49/18/08/563491808.db2.gz GKKWYTZIEPDDRJ-CABCVRRESA-N 0 1 398.301 2.521 20 0 GFADMN COc1ccc(Br)cc1NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000378013396 563493524 /nfs/dbraw/zinc/49/35/24/563493524.db2.gz WBOKTTFHJFFLPY-SNVBAGLBSA-N 0 1 380.246 2.987 20 0 GFADMN COc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1Cl ZINC000378048359 563494456 /nfs/dbraw/zinc/49/44/56/563494456.db2.gz OHTDRUWOGGZERV-UHFFFAOYSA-N 0 1 382.825 2.789 20 0 GFADMN O=C(CNC(=O)N[C@H]1CCc2nc[nH]c2C1)Nc1cc(Cl)ccc1Cl ZINC000378072611 563495250 /nfs/dbraw/zinc/49/52/50/563495250.db2.gz SBPIXPOJFAJSAT-JTQLQIEISA-N 0 1 382.251 2.512 20 0 GFADMN Cc1cc(CC(=O)N[C@H](C)c2ccc(Br)cc2OCCCO)[nH]n1 ZINC000428589413 563496823 /nfs/dbraw/zinc/49/68/23/563496823.db2.gz MFJPCROMKISKOF-GFCCVEGCSA-N 0 1 396.285 2.662 20 0 GFADMN O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc2nc[nH]c21 ZINC000378149877 563497742 /nfs/dbraw/zinc/49/77/42/563497742.db2.gz SDBBNRJSQKMQJY-XJKSGUPXSA-N 0 1 388.221 2.550 20 0 GFADMN Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cccc(Br)c2)n[nH]1 ZINC000378256981 563500479 /nfs/dbraw/zinc/50/04/79/563500479.db2.gz MXMKVSOVLJEPFE-ZDUSSCGKSA-N 0 1 385.287 2.792 20 0 GFADMN Cc1cccc(OC[C@@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018408 563507862 /nfs/dbraw/zinc/50/78/62/563507862.db2.gz HDRPYLQXFNXGFU-KSSFIOAISA-N 0 1 398.272 2.960 20 0 GFADMN O=C(CCN1CCC[C@@H]1C(=O)N1CCSCC1)Nc1ccc(Cl)cc1 ZINC000429054706 563509475 /nfs/dbraw/zinc/50/94/75/563509475.db2.gz QFWBEBFJVDGYMV-MRXNPFEDSA-N 0 1 381.929 2.708 20 0 GFADMN CNC(=O)Cc1noc(CNC(C)(C)Cc2ccc(Br)c(C)c2)n1 ZINC000429251891 563513288 /nfs/dbraw/zinc/51/32/88/563513288.db2.gz CPUOTXNHGVJHKV-UHFFFAOYSA-N 0 1 395.301 2.540 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)CCN1C ZINC000383228252 563516379 /nfs/dbraw/zinc/51/63/79/563516379.db2.gz ATJSJGJGUMDBLA-VHSXEESVSA-N 0 1 381.723 2.864 20 0 GFADMN CC(C)[NH+]1CCC(NC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000387323561 563519466 /nfs/dbraw/zinc/51/94/66/563519466.db2.gz BYOFXVSFCKCRSP-UHFFFAOYSA-N 0 1 388.249 2.599 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000429819958 563524263 /nfs/dbraw/zinc/52/42/63/563524263.db2.gz WMNLVUNCUCTRGM-SECBINFHSA-N 0 1 381.723 2.864 20 0 GFADMN C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1C(=O)[O-] ZINC000391769871 563525339 /nfs/dbraw/zinc/52/53/39/563525339.db2.gz CWZMCNBFXVRFQD-LRDDRELGSA-N 0 1 383.286 2.593 20 0 GFADMN C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1C(=O)[O-] ZINC000391769871 563525342 /nfs/dbraw/zinc/52/53/42/563525342.db2.gz CWZMCNBFXVRFQD-LRDDRELGSA-N 0 1 383.286 2.593 20 0 GFADMN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1ccc(Br)c(Cl)c1 ZINC000285560431 563526594 /nfs/dbraw/zinc/52/65/94/563526594.db2.gz IZIZZYPPZKVKHO-UHFFFAOYSA-N 0 1 391.678 2.578 20 0 GFADMN Cc1cc(C(=O)NCCN2c3ccccc3NS2(=O)=O)c(Cl)cc1F ZINC000429898343 563527855 /nfs/dbraw/zinc/52/78/55/563527855.db2.gz AIDWOERPJMZWND-UHFFFAOYSA-N 0 1 383.832 2.694 20 0 GFADMN O=C(CNCc1ccc(OC(F)(F)F)c(Br)c1)NCC1CC1 ZINC000392952777 563527975 /nfs/dbraw/zinc/52/79/75/563527975.db2.gz DSTQUCZZNQHVSJ-UHFFFAOYSA-N 0 1 381.192 2.964 20 0 GFADMN COc1sc(CNCC2(S(C)(=O)=O)CCCC2)cc1Br ZINC000285633004 563529978 /nfs/dbraw/zinc/52/99/78/563529978.db2.gz YRYCBJFHSHTPPR-UHFFFAOYSA-N 0 1 382.345 2.966 20 0 GFADMN Cc1ncc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Br)Br)[nH]1 ZINC000285650824 563530881 /nfs/dbraw/zinc/53/08/81/563530881.db2.gz GXWJNQCCZMJEOI-GXSJLCMTSA-N 0 1 377.080 2.686 20 0 GFADMN O=C(c1cc(Br)sc1Br)N1CCc2[nH]nnc2C1 ZINC000396901689 563531985 /nfs/dbraw/zinc/53/19/85/563531985.db2.gz XDCHQAHMBVNPFU-UHFFFAOYSA-N 0 1 392.076 2.590 20 0 GFADMN COc1cc(Cl)c(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000331030245 563532516 /nfs/dbraw/zinc/53/25/16/563532516.db2.gz YUXDLOXEFAGZIV-UONOGXRCSA-N 0 1 381.325 2.952 20 0 GFADMN C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cc2cc(Br)ccc2o1 ZINC000400102161 563534620 /nfs/dbraw/zinc/53/46/20/563534620.db2.gz BAVGICYPAQXACF-GXFFZTMASA-N 0 1 387.299 2.880 20 0 GFADMN COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CN(C)C ZINC000405072343 563537889 /nfs/dbraw/zinc/53/78/89/563537889.db2.gz GAUVWYPSNANGBP-CYBMUJFWSA-N 0 1 391.331 2.563 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1Cl ZINC000331300560 563544533 /nfs/dbraw/zinc/54/45/33/563544533.db2.gz PJIGMSYERZKPBY-OLZOCXBDSA-N 0 1 387.933 2.697 20 0 GFADMN C[C@@H]1CCCCN1S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000408234062 563548226 /nfs/dbraw/zinc/54/82/26/563548226.db2.gz BEAGSEURNUNSMI-LLVKDONJSA-N 0 1 380.436 2.727 20 0 GFADMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000286088462 563548578 /nfs/dbraw/zinc/54/85/78/563548578.db2.gz UBPNRQUTTRRLJC-NSHDSACASA-N 0 1 377.901 2.755 20 0 GFADMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000286088462 563548579 /nfs/dbraw/zinc/54/85/79/563548579.db2.gz UBPNRQUTTRRLJC-NSHDSACASA-N 0 1 377.901 2.755 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000286108716 563549247 /nfs/dbraw/zinc/54/92/47/563549247.db2.gz WDHWSGSXPDCKGF-GXSJLCMTSA-N 0 1 381.249 2.559 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000286108716 563549249 /nfs/dbraw/zinc/54/92/49/563549249.db2.gz WDHWSGSXPDCKGF-GXSJLCMTSA-N 0 1 381.249 2.559 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2cc(Cl)ccc2I)n[nH]1 ZINC000286183840 563551952 /nfs/dbraw/zinc/55/19/52/563551952.db2.gz AAUFLUGMQZFVNO-ZCFIWIBFSA-N 0 1 390.612 2.862 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)OC)c2Cl)oc1C ZINC000431180801 563555983 /nfs/dbraw/zinc/55/59/83/563555983.db2.gz KCBFPHZEQXYAGC-UHFFFAOYSA-N 0 1 387.797 2.615 20 0 GFADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000408455434 563557091 /nfs/dbraw/zinc/55/70/91/563557091.db2.gz YKWIDOXSUKTFPY-NWDGAFQWSA-N 0 1 393.289 2.586 20 0 GFADMN COc1ccc(-c2n[nH]c(CNS(=O)(=O)c3sc(C)cc3C)n2)cc1 ZINC000431527385 563562179 /nfs/dbraw/zinc/56/21/79/563562179.db2.gz COHUXLRTPHQQKF-UHFFFAOYSA-N 0 1 378.479 2.637 20 0 GFADMN COc1ccc(-c2nc(CNS(=O)(=O)c3sc(C)cc3C)n[nH]2)cc1 ZINC000431527385 563562182 /nfs/dbraw/zinc/56/21/82/563562182.db2.gz COHUXLRTPHQQKF-UHFFFAOYSA-N 0 1 378.479 2.637 20 0 GFADMN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ncc(I)s2)C1 ZINC000286515349 563563157 /nfs/dbraw/zinc/56/31/57/563563157.db2.gz NADCXGKUDDVNHJ-JJQCHNSYSA-N 0 1 398.335 2.917 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c(Br)c1 ZINC000431717638 563567360 /nfs/dbraw/zinc/56/73/60/563567360.db2.gz FYHUHPJYIHJEJN-STQMWFEESA-N 0 1 394.313 2.746 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCN(CC(F)(F)F)CC1 ZINC000331935139 563567476 /nfs/dbraw/zinc/56/74/76/563567476.db2.gz ITPVJKUAYLGBLS-UHFFFAOYSA-N 0 1 391.191 2.646 20 0 GFADMN Cc1cc(I)cc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1C ZINC000332106645 563576857 /nfs/dbraw/zinc/57/68/57/563576857.db2.gz ZRLSTEDOJSYTKK-LLVKDONJSA-N 0 1 396.232 2.656 20 0 GFADMN Cc1cc(NC(=O)CN2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1Br ZINC000332136871 563578224 /nfs/dbraw/zinc/57/82/24/563578224.db2.gz FWBAUYCVKXTGOM-NSHDSACASA-N 0 1 395.257 2.664 20 0 GFADMN COc1ccc(Br)c(CNC(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1 ZINC000332155076 563579624 /nfs/dbraw/zinc/57/96/24/563579624.db2.gz IXXSVJMFGYKCMS-NSHDSACASA-N 0 1 394.273 2.665 20 0 GFADMN CC[C@@H]1C[C@]1(NS(=O)(=O)c1csnc1C(=O)OC)c1cccc(C)c1 ZINC000410182281 563584225 /nfs/dbraw/zinc/58/42/25/563584225.db2.gz ZJFILZLCRPRMOM-SJKOYZFVSA-N 0 1 380.491 2.842 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1O ZINC000332217158 563584701 /nfs/dbraw/zinc/58/47/01/563584701.db2.gz KZCBUEFRIDACPE-SNVBAGLBSA-N 0 1 380.491 2.739 20 0 GFADMN CC(C)OC[C@H](CO)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000432586356 563587251 /nfs/dbraw/zinc/58/72/51/563587251.db2.gz ZROUABBQJXOHRN-AWEZNQCLSA-N 0 1 396.285 2.697 20 0 GFADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)c1 ZINC000432645054 563590256 /nfs/dbraw/zinc/59/02/56/563590256.db2.gz MJGBXYKJRLSNST-UHFFFAOYSA-N 0 1 385.825 2.945 20 0 GFADMN COCC1(C)CN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000432734854 563591965 /nfs/dbraw/zinc/59/19/65/563591965.db2.gz YDUVDAGSEMAGBI-LBPRGKRZSA-N 0 1 378.694 2.811 20 0 GFADMN CN(CCc1nc(-c2ccccc2)no1)C(=O)CSc1n[nH]c(=S)s1 ZINC000287223405 563592089 /nfs/dbraw/zinc/59/20/89/563592089.db2.gz IXTZMFVSTHINDV-UHFFFAOYSA-N 0 1 393.519 2.670 20 0 GFADMN COC(=O)c1cc(NC(=O)NCc2cn[nH]c2C)c(C)cc1Br ZINC000287258093 563593780 /nfs/dbraw/zinc/59/37/80/563593780.db2.gz CZCRDINLKOLBME-UHFFFAOYSA-N 0 1 381.230 2.897 20 0 GFADMN Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)nc12 ZINC000332354837 563595053 /nfs/dbraw/zinc/59/50/53/563595053.db2.gz VQVFVLHUTPFDST-BETUJISGSA-N 0 1 394.317 2.639 20 0 GFADMN O=S1(=O)CC[C@@H](NCC2(O)CCCCC2)c2cc(Br)ccc21 ZINC000332349148 563595105 /nfs/dbraw/zinc/59/51/05/563595105.db2.gz MWTMAVCCMQBNEU-CQSZACIVSA-N 0 1 388.327 2.952 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccnc2C(F)(F)F)n[nH]1 ZINC000287300836 563595744 /nfs/dbraw/zinc/59/57/44/563595744.db2.gz JOKAQYZSNPPELI-DTWKUNHWSA-N 0 1 377.392 2.772 20 0 GFADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000433102777 563602480 /nfs/dbraw/zinc/60/24/80/563602480.db2.gz HITSBVCCURKNFT-CYBMUJFWSA-N 0 1 386.209 2.571 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)Nc2cc(F)c(Br)c(Cl)c2)C1 ZINC000287518018 563605119 /nfs/dbraw/zinc/60/51/19/563605119.db2.gz VDAXFGIIZFOBTQ-JTQLQIEISA-N 0 1 393.688 2.609 20 0 GFADMN CC(C)(C)NC(=O)NC(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433301231 563609188 /nfs/dbraw/zinc/60/91/88/563609188.db2.gz GTBHDKIQSFSFDN-AWEZNQCLSA-N 0 1 396.329 2.938 20 0 GFADMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CC[N@H+](C2CC2)C1 ZINC000333126166 563621254 /nfs/dbraw/zinc/62/12/54/563621254.db2.gz WBHZDZYIGXLTMQ-NSHDSACASA-N 0 1 377.286 2.882 20 0 GFADMN Cc1nn(C)c(NC(=O)N2CCNC[C@H]2C)c1-c1ccc(Br)cc1 ZINC000333170070 563622741 /nfs/dbraw/zinc/62/27/41/563622741.db2.gz PQQOUTFVYSWJFH-LLVKDONJSA-N 0 1 392.301 2.984 20 0 GFADMN CS[C@H]1CN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@H]1N1CCCC1 ZINC000333205684 563624180 /nfs/dbraw/zinc/62/41/80/563624180.db2.gz ONAYBZVDVLKAHP-CVEARBPZSA-N 0 1 383.583 2.670 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)n[nH]1 ZINC000287972144 563624582 /nfs/dbraw/zinc/62/45/82/563624582.db2.gz JOKGKYUANANIKI-ZCFIWIBFSA-N 0 1 375.738 2.601 20 0 GFADMN C[C@](CO)(NCCC(=O)Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000411737958 563632357 /nfs/dbraw/zinc/63/23/57/563632357.db2.gz RPOZOXIAXDJPRG-GOSISDBHSA-N 0 1 393.281 2.981 20 0 GFADMN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000434555513 563632451 /nfs/dbraw/zinc/63/24/51/563632451.db2.gz JRVDCCQDKCJIAG-CYBMUJFWSA-N 0 1 398.276 2.660 20 0 GFADMN CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)s1 ZINC000288488258 563644833 /nfs/dbraw/zinc/64/48/33/563644833.db2.gz CRYMWAQFNWNPIR-UHFFFAOYSA-N 0 1 388.902 2.617 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Br)N1CCC[C@H](C)C1 ZINC000435214365 563645215 /nfs/dbraw/zinc/64/52/15/563645215.db2.gz DYLZQZBNWKQMDP-RYUDHWBXSA-N 0 1 393.322 2.987 20 0 GFADMN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCc2[nH]nnc2C1 ZINC000333959832 563647903 /nfs/dbraw/zinc/64/79/03/563647903.db2.gz KLOAHQSSPNRRDX-PRHODGIISA-N 0 1 379.233 2.615 20 0 GFADMN O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCc2nn[nH]c2C1 ZINC000333959832 563647907 /nfs/dbraw/zinc/64/79/07/563647907.db2.gz KLOAHQSSPNRRDX-PRHODGIISA-N 0 1 379.233 2.615 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)c(Br)c1 ZINC000435438872 563650890 /nfs/dbraw/zinc/65/08/90/563650890.db2.gz QCNFILMBBISEFD-GFCCVEGCSA-N 0 1 391.331 2.609 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)cc1Br ZINC000435447493 563651978 /nfs/dbraw/zinc/65/19/78/563651978.db2.gz POQITKCBZIYKSK-CYBMUJFWSA-N 0 1 375.332 2.909 20 0 GFADMN CC(=O)c1ccc(NC(=O)CCN(C)CCn2cc(Br)cn2)cc1 ZINC000288794709 563657760 /nfs/dbraw/zinc/65/77/60/563657760.db2.gz LJFFILCRIOMJMF-UHFFFAOYSA-N 0 1 393.285 2.809 20 0 GFADMN O=C(NCCCc1nc[nH]n1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000289053600 563665722 /nfs/dbraw/zinc/66/57/22/563665722.db2.gz KNLVLZPKSAKVIK-UHFFFAOYSA-N 0 1 393.167 2.735 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000289182275 563670999 /nfs/dbraw/zinc/67/09/99/563670999.db2.gz PUQVCZMRWVIXEH-UHFFFAOYSA-N 0 1 379.551 2.578 20 0 GFADMN CCc1[nH]nc(NC(=O)c2ccc(Br)cc2O)c1Br ZINC000436581922 563674464 /nfs/dbraw/zinc/67/44/64/563674464.db2.gz GZQOBVPPUAMVIZ-UHFFFAOYSA-N 0 1 389.047 3.455 20 0 GFADMN COC(=O)[C@]1(C)CCCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000412939944 563675592 /nfs/dbraw/zinc/67/55/92/563675592.db2.gz VPTMJJUSNSAFHY-MRXNPFEDSA-N 0 1 380.242 2.741 20 0 GFADMN O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000436840336 563680786 /nfs/dbraw/zinc/68/07/86/563680786.db2.gz QEFKNCXYJFJSNS-SNVBAGLBSA-N 0 1 378.778 2.966 20 0 GFADMN CCc1nnc(CNS(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000289615790 563680800 /nfs/dbraw/zinc/68/08/00/563680800.db2.gz SLZBPNRQKXXKRA-UHFFFAOYSA-N 0 1 398.254 2.620 20 0 GFADMN Cc1cc[nH+]c(N2CCN(C(=O)c3cc(F)cc(Br)c3[O-])CC2)c1 ZINC000436866665 563683180 /nfs/dbraw/zinc/68/31/80/563683180.db2.gz ZNJCNAQKESSTPV-UHFFFAOYSA-N 0 1 394.244 2.960 20 0 GFADMN COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436862657 563683320 /nfs/dbraw/zinc/68/33/20/563683320.db2.gz FUIDKMPGKHSNJV-UHFFFAOYSA-N 0 1 385.302 2.774 20 0 GFADMN COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289761947 563685959 /nfs/dbraw/zinc/68/59/59/563685959.db2.gz QYXQQHHVNLNHPI-PXAZEXFGSA-N 0 1 386.279 2.955 20 0 GFADMN COCc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000290015337 563695481 /nfs/dbraw/zinc/69/54/81/563695481.db2.gz XSUPXPFHSXRSDJ-GFCCVEGCSA-N 0 1 388.852 2.660 20 0 GFADMN CN1CC[C@@H](CNS(=O)(=O)CC2CCOCC2)[C@@H]1c1cccc(Cl)c1 ZINC000361035191 563695878 /nfs/dbraw/zinc/69/58/78/563695878.db2.gz YRDSXAINTVLBPT-WMZOPIPTSA-N 0 1 386.945 2.679 20 0 GFADMN NC(=O)[C@H](NC[C@H]1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000361038018 563695941 /nfs/dbraw/zinc/69/59/41/563695941.db2.gz YCTANMDFFYOCSK-SJKOYZFVSA-N 0 1 388.265 2.691 20 0 GFADMN CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccco2)c(F)cc1F ZINC000437656355 563697597 /nfs/dbraw/zinc/69/75/97/563697597.db2.gz NQXOEZIZRSQQFX-UHFFFAOYSA-N 0 1 380.394 2.510 20 0 GFADMN C[C@H]1[C@@H](CO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000413607350 563699542 /nfs/dbraw/zinc/69/95/42/563699542.db2.gz RGAVJMDKYSBBOF-WDEREUQCSA-N 0 1 381.274 2.628 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000413898232 563709634 /nfs/dbraw/zinc/70/96/34/563709634.db2.gz IIUIFMPJDFTENT-CYBMUJFWSA-N 0 1 380.897 2.660 20 0 GFADMN Cc1cc(CC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)n[nH]1 ZINC000414009293 563715129 /nfs/dbraw/zinc/71/51/29/563715129.db2.gz WUCMDSDDRPAAEQ-UHFFFAOYSA-N 0 1 397.248 2.638 20 0 GFADMN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000414211442 563722676 /nfs/dbraw/zinc/72/26/76/563722676.db2.gz OOFNYOPMOKHPFL-SNVBAGLBSA-N 0 1 395.308 2.779 20 0 GFADMN O=C(CN1CCC(c2cccc(Br)c2)CC1)NC[C@@H]1CCCO1 ZINC000439334576 563722817 /nfs/dbraw/zinc/72/28/17/563722817.db2.gz XSKCTRVDMACYSA-KRWDZBQOSA-N 0 1 381.314 2.924 20 0 GFADMN Cc1nc([C@@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2)n[nH]1 ZINC000363485414 563723519 /nfs/dbraw/zinc/72/35/19/563723519.db2.gz PIWAVLYNRSCCMF-INIZCTEOSA-N 0 1 376.869 2.976 20 0 GFADMN O[C@@H](COc1cc(F)cc(Br)c1)CN1CCOC2(CCCC2)C1 ZINC000439429127 563723842 /nfs/dbraw/zinc/72/38/42/563723842.db2.gz DTVJJLWSUAAACV-OAHLLOKOSA-N 0 1 388.277 2.973 20 0 GFADMN C[C@@H]1N(C[C@@H](O)COc2cc(F)cc(Br)c2)CCOC1(C)C ZINC000439422781 563723892 /nfs/dbraw/zinc/72/38/92/563723892.db2.gz NLKPZTQVURYHIY-SMDDNHRTSA-N 0 1 376.266 2.827 20 0 GFADMN O=C(CCc1cccc(Br)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000363519485 563725075 /nfs/dbraw/zinc/72/50/75/563725075.db2.gz IAEJOVQWJOMNKS-QGZVFWFLSA-N 0 1 395.341 2.953 20 0 GFADMN CNC(=O)[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000363522344 563725212 /nfs/dbraw/zinc/72/52/12/563725212.db2.gz HTUZQZOLGIXVAL-AWEZNQCLSA-N 0 1 383.945 2.598 20 0 GFADMN CN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCN(C2CC2)C1 ZINC000439594967 563728888 /nfs/dbraw/zinc/72/88/88/563728888.db2.gz JFENKNLDLSVJFW-GFCCVEGCSA-N 0 1 376.507 2.505 20 0 GFADMN Cn1cc([C@H](NC(=O)CSc2n[nH]c(=S)s2)c2ccccc2)cn1 ZINC000363737346 563731517 /nfs/dbraw/zinc/73/15/17/563731517.db2.gz JAAUQNXKKVFLOE-CYBMUJFWSA-N 0 1 377.520 2.558 20 0 GFADMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084511 563735955 /nfs/dbraw/zinc/73/59/55/563735955.db2.gz WRUZLBMAWFFEMZ-NEPJUHHUSA-N 0 1 393.322 2.987 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1Cl ZINC000414458403 563739809 /nfs/dbraw/zinc/73/98/09/563739809.db2.gz HJLMQDDENQTYTH-DOTOQJQBSA-N 0 1 380.897 2.725 20 0 GFADMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(C(=O)NC)cc2)c1 ZINC000414479543 563743455 /nfs/dbraw/zinc/74/34/55/563743455.db2.gz ITUAQUXAZDCIPS-UHFFFAOYSA-N 0 1 380.897 2.783 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000364120945 563743634 /nfs/dbraw/zinc/74/36/34/563743634.db2.gz JUMBIHZHFIIOMM-CYBMUJFWSA-N 0 1 386.901 2.642 20 0 GFADMN CCS(=O)(=O)CCCNCc1cccc(Br)c1OC(F)F ZINC000414548328 563745979 /nfs/dbraw/zinc/74/59/79/563745979.db2.gz XPNUFQIOOOKCFX-UHFFFAOYSA-N 0 1 386.258 2.965 20 0 GFADMN CCS(=O)(=O)CCCNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000414538366 563746309 /nfs/dbraw/zinc/74/63/09/563746309.db2.gz BJGYCOOTLDCIHB-UHFFFAOYSA-N 0 1 375.416 2.806 20 0 GFADMN Cn1cc(-c2cc(CN3CCC(n4cc(Br)cn4)CC3)on2)cn1 ZINC000364245269 563746528 /nfs/dbraw/zinc/74/65/28/563746528.db2.gz NNGXSQRGPCKXOY-UHFFFAOYSA-N 0 1 391.273 2.871 20 0 GFADMN [NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857158 563752517 /nfs/dbraw/zinc/75/25/17/563752517.db2.gz IIGILPVWSNEGAG-YUMQZZPRSA-N 0 1 385.686 2.790 20 0 GFADMN Cc1nc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1C ZINC000441537465 563762077 /nfs/dbraw/zinc/76/20/77/563762077.db2.gz BBFHEYOCKJLLNT-AWEZNQCLSA-N 0 1 379.873 2.784 20 0 GFADMN CC(C)c1nc(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)n[nH]1 ZINC000291885947 563763505 /nfs/dbraw/zinc/76/35/05/563763505.db2.gz JATKLCGUSABGKG-UHFFFAOYSA-N 0 1 381.845 2.747 20 0 GFADMN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000442135024 563768195 /nfs/dbraw/zinc/76/81/95/563768195.db2.gz MUWFFNHYBFWIBI-JTQLQIEISA-N 0 1 376.375 2.872 20 0 GFADMN COCCN1CCCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 ZINC000292119578 563774720 /nfs/dbraw/zinc/77/47/20/563774720.db2.gz AVJNPFJWKANZSL-UHFFFAOYSA-N 0 1 395.341 2.953 20 0 GFADMN C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000365118997 563774793 /nfs/dbraw/zinc/77/47/93/563774793.db2.gz SUZLKMAFZVJTHY-OAHLLOKOSA-N 0 1 380.330 2.549 20 0 GFADMN O=C1[C@@H](NCc2ccc(Br)c(Cl)c2)CCN1C1CCOCC1 ZINC000365205125 563776988 /nfs/dbraw/zinc/77/69/88/563776988.db2.gz UDTSSSOICCCKLS-HNNXBMFYSA-N 0 1 387.705 2.972 20 0 GFADMN COc1ccc(NS(=O)(=O)c2cc(Br)cc(OC)c2)c(O)c1 ZINC000442831811 563781624 /nfs/dbraw/zinc/78/16/24/563781624.db2.gz BQKWCVZXEVVEPX-UHFFFAOYSA-N 0 1 388.239 2.973 20 0 GFADMN O=S(=O)(NC[C@H](O)CN1CCCCC1)c1c(Cl)ccc2ccccc21 ZINC000443153745 563793966 /nfs/dbraw/zinc/79/39/66/563793966.db2.gz HMQHRKADERDTEE-HNNXBMFYSA-N 0 1 382.913 2.618 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CN1CCC(c2nc[nH]n2)CC1 ZINC000365935040 563796051 /nfs/dbraw/zinc/79/60/51/563796051.db2.gz SYLNRTIJWZTNGX-UHFFFAOYSA-N 0 1 378.274 2.694 20 0 GFADMN Cc1nnc([C@@H]2CC23CCN(Cc2c(Br)c(C)nn2C)CC3)o1 ZINC000366174624 563800663 /nfs/dbraw/zinc/80/06/63/563800663.db2.gz ZJRLMWRPHQPZKC-LBPRGKRZSA-N 0 1 380.290 2.952 20 0 GFADMN C[C@H]1CCN(C(=O)c2nn(C)cc2Br)CCN1Cc1ccccc1 ZINC000293485922 563815217 /nfs/dbraw/zinc/81/52/17/563815217.db2.gz UGCOFXOABAVLHG-AWEZNQCLSA-N 0 1 391.313 2.919 20 0 GFADMN CS(=O)(=O)c1ccc(OCCNCc2cnc(C(F)(F)F)s2)cc1 ZINC000443973719 563816949 /nfs/dbraw/zinc/81/69/49/563816949.db2.gz ZVKRFAKVTKBRTG-UHFFFAOYSA-N 0 1 380.413 2.734 20 0 GFADMN CS(=O)(=O)Nc1ccc(OCCNCc2cnc(C(F)(F)F)s2)cc1 ZINC000443984586 563817847 /nfs/dbraw/zinc/81/78/47/563817847.db2.gz FYLFVKJWQLJJGM-UHFFFAOYSA-N 0 1 395.428 2.702 20 0 GFADMN Cc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)c(F)cc1Br ZINC000416373810 563819214 /nfs/dbraw/zinc/81/92/14/563819214.db2.gz MMYYGJVJPAAARY-UHFFFAOYSA-N 0 1 391.306 2.802 20 0 GFADMN Nc1ccncc1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000444161040 563823112 /nfs/dbraw/zinc/82/31/12/563823112.db2.gz NDFYVOYHJKNYHG-LBPRGKRZSA-N 0 1 375.270 2.513 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@]2(N(C)C)CCCSC2)c1 ZINC000366908910 563824466 /nfs/dbraw/zinc/82/44/66/563824466.db2.gz FLMYRRJYQUWHEU-KRWDZBQOSA-N 0 1 385.555 2.604 20 0 GFADMN Cc1nn(C)c(C)c1CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444283485 563827245 /nfs/dbraw/zinc/82/72/45/563827245.db2.gz DAVSNWKXHAUGMZ-UHFFFAOYSA-N 0 1 389.253 2.571 20 0 GFADMN CN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@H]1CC[C@H](O)CC1 ZINC000444375661 563831374 /nfs/dbraw/zinc/83/13/74/563831374.db2.gz HXMQYEXAPGIHFF-HAQNSBGRSA-N 0 1 379.254 2.666 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1Cl ZINC000416470054 563833585 /nfs/dbraw/zinc/83/35/85/563833585.db2.gz FROLQSGTHPDJPE-STQMWFEESA-N 0 1 390.933 2.756 20 0 GFADMN COC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)n1 ZINC000444737048 563836519 /nfs/dbraw/zinc/83/65/19/563836519.db2.gz OQAMSNJOQLQGKD-NSHDSACASA-N 0 1 392.253 2.920 20 0 GFADMN COC(=O)c1ccc(Br)cc1CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000367305791 563839806 /nfs/dbraw/zinc/83/98/06/563839806.db2.gz QWENNTZGTPLXOV-NSHDSACASA-N 0 1 379.258 2.733 20 0 GFADMN COCc1ncsc1C(=O)N[C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000367359935 563842435 /nfs/dbraw/zinc/84/24/35/563842435.db2.gz ABRQDAIHRCIBFI-BXUZGUMPSA-N 0 1 380.539 2.695 20 0 GFADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000416538897 563844979 /nfs/dbraw/zinc/84/49/79/563844979.db2.gz 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ZINC000368012971 563861288 /nfs/dbraw/zinc/86/12/88/563861288.db2.gz ABTYSMHTZKLYTC-CYBMUJFWSA-N 0 1 399.252 2.754 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000416760074 563861441 /nfs/dbraw/zinc/86/14/41/563861441.db2.gz IGVKSDXZUGZDJR-UONOGXRCSA-N 0 1 384.318 2.985 20 0 GFADMN Cc1cnc2c(c1)NC(=O)CN2C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000368237744 563866677 /nfs/dbraw/zinc/86/66/77/563866677.db2.gz YDSBEZURLCIWAZ-UHFFFAOYSA-N 0 1 386.209 2.628 20 0 GFADMN COc1cc(Br)c(CN[C@H]2CCCN(c3ccncn3)C2)cc1O ZINC000368463378 563871879 /nfs/dbraw/zinc/87/18/79/563871879.db2.gz ZJFFOKUJZQVMOU-ZDUSSCGKSA-N 0 1 393.285 2.712 20 0 GFADMN COc1cc(S(=O)(=O)Nc2cnc3c(c2)COCC3)ccc1Br ZINC000368589724 563874957 /nfs/dbraw/zinc/87/49/57/563874957.db2.gz JTFQKGNGVONLKM-UHFFFAOYSA-N 0 1 399.266 2.726 20 0 GFADMN CN1CCCN(C(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC000417282288 563876367 /nfs/dbraw/zinc/87/63/67/563876367.db2.gz ABXJUIDKRCDRJG-UHFFFAOYSA-N 0 1 395.191 2.739 20 0 GFADMN 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CC(C)CN1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000542487955 564316548 /nfs/dbraw/zinc/31/65/48/564316548.db2.gz SVLWEIRQFMDGRC-UHFFFAOYSA-N 0 1 392.297 2.704 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C ZINC000451495739 564318793 /nfs/dbraw/zinc/31/87/93/564318793.db2.gz LFJNSVMACNAPIE-CQSZACIVSA-N 0 1 388.917 2.540 20 0 GFADMN CN(Cc1cn2c(n1)CCCC2)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000566249702 564319322 /nfs/dbraw/zinc/31/93/22/564319322.db2.gz DRJDVDGSEBNZMC-GOSISDBHSA-N 0 1 391.313 2.814 20 0 GFADMN Cc1c(NC(=O)N(C)C)cccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000475834625 564322296 /nfs/dbraw/zinc/32/22/96/564322296.db2.gz QKOKAGXLQBBSBX-UHFFFAOYSA-N 0 1 383.861 2.520 20 0 GFADMN C[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000566363668 564324694 /nfs/dbraw/zinc/32/46/94/564324694.db2.gz RKYOIADTWPSHNP-UHFFFAOYSA-N 0 1 377.754 2.630 20 0 GFADMN C[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000566363668 564324698 /nfs/dbraw/zinc/32/46/98/564324698.db2.gz RKYOIADTWPSHNP-UHFFFAOYSA-N 0 1 377.754 2.630 20 0 GFADMN CC[N@H+](Cc1cc(Br)ccc1C(=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000566360346 564324882 /nfs/dbraw/zinc/32/48/82/564324882.db2.gz WJGSSTBXNAAJHG-LLVKDONJSA-N 0 1 392.315 2.792 20 0 GFADMN CC[N@@H+](Cc1cc(Br)ccc1C(=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000566360346 564324886 /nfs/dbraw/zinc/32/48/86/564324886.db2.gz WJGSSTBXNAAJHG-LLVKDONJSA-N 0 1 392.315 2.792 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000566423261 564327035 /nfs/dbraw/zinc/32/70/35/564327035.db2.gz XZWASYMDOCQYDE-UHFFFAOYSA-N 0 1 377.451 2.720 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000566438236 564327951 /nfs/dbraw/zinc/32/79/51/564327951.db2.gz XUCGKLPZZNIKQT-LLVKDONJSA-N 0 1 389.257 2.629 20 0 GFADMN O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCCc2[nH]ncc21 ZINC000542909357 564331318 /nfs/dbraw/zinc/33/13/18/564331318.db2.gz UPOHUHBXDKZSQA-XHDPSFHLSA-N 0 1 378.270 2.832 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2cc(I)ccc2F)[C@@H](C)C1 ZINC000566585061 564333346 /nfs/dbraw/zinc/33/33/46/564333346.db2.gz MMFPLUOKMRCTRS-QWRGUYRKSA-N 0 1 390.240 2.985 20 0 GFADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000510524810 564336681 /nfs/dbraw/zinc/33/66/81/564336681.db2.gz QVXCZKWIRQSCKZ-UHFFFAOYSA-N 0 1 379.448 2.987 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1cccc(Br)c1F)c1ccco1 ZINC000543070262 564337297 /nfs/dbraw/zinc/33/72/97/564337297.db2.gz VBYMYNDJLLUTHY-SNVBAGLBSA-N 0 1 378.219 2.847 20 0 GFADMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccnc1OC ZINC000476412842 564337678 /nfs/dbraw/zinc/33/76/78/564337678.db2.gz HFCMWOJQGVTQCC-UHFFFAOYSA-N 0 1 387.255 2.971 20 0 GFADMN CCN(CC)CCS(=O)(=O)N1CCc2cc(Br)cc(F)c21 ZINC000566766670 564341888 /nfs/dbraw/zinc/34/18/88/564341888.db2.gz ZPJFEMJWEZVZOG-UHFFFAOYSA-N 0 1 379.295 2.622 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)Cc1ccccc1Br ZINC000566823017 564344748 /nfs/dbraw/zinc/34/47/48/564344748.db2.gz CEVONJQYYFUGLR-AWEZNQCLSA-N 0 1 375.332 2.695 20 0 GFADMN CN(CCN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543249568 564344978 /nfs/dbraw/zinc/34/49/78/564344978.db2.gz KAISOOLROKALEU-UHFFFAOYSA-N 0 1 381.723 2.819 20 0 GFADMN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000566878273 564347908 /nfs/dbraw/zinc/34/79/08/564347908.db2.gz FRAZWRVEVFBWNH-UHFFFAOYSA-N 0 1 378.303 2.827 20 0 GFADMN Fc1cc2ncnc(N3CC[C@H](CN4CCOCC4)C3)c2cc1Br ZINC000543410063 564349505 /nfs/dbraw/zinc/34/95/05/564349505.db2.gz JQTVEHDGESTNGE-GFCCVEGCSA-N 0 1 395.276 2.690 20 0 GFADMN O=C([C@@H]1CCc2cc(Br)ccc21)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000566976885 564352777 /nfs/dbraw/zinc/35/27/77/564352777.db2.gz PXICJZZEVWPMEC-KBXCAEBGSA-N 0 1 393.325 2.660 20 0 GFADMN CN(CC(=O)N1CCc2c(Br)ccc(F)c2C1)[C@H]1CCSC1 ZINC000543622168 564356102 /nfs/dbraw/zinc/35/61/02/564356102.db2.gz GFGYKDUIVVDJQX-NSHDSACASA-N 0 1 387.318 2.910 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(Br)cc2OC)C1 ZINC000543780503 564363059 /nfs/dbraw/zinc/36/30/59/564363059.db2.gz BHJXRWOTSQEKLT-HIFRSBDPSA-N 0 1 399.329 2.821 20 0 GFADMN O=C(N[C@H](CCO)c1ccccc1Br)c1ccc2[nH]nnc2c1 ZINC000543840111 564365923 /nfs/dbraw/zinc/36/59/23/564365923.db2.gz YXZVWOLXTZSDQU-CYBMUJFWSA-N 0 1 375.226 2.574 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]1N1CCCC1 ZINC000477142688 564367015 /nfs/dbraw/zinc/36/70/15/564367015.db2.gz VKDQMUVYPCLUEG-MOPGFXCFSA-N 0 1 380.579 2.766 20 0 GFADMN O=S1(=O)CC(CCSc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000567335384 564367254 /nfs/dbraw/zinc/36/72/54/564367254.db2.gz LORGVTBTVCWUHS-UHFFFAOYSA-N 0 1 388.312 2.761 20 0 GFADMN Cc1cccc(CNC(=O)CN[C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511565864 564375538 /nfs/dbraw/zinc/37/55/38/564375538.db2.gz KXUYWSOPVJVGJK-LJQANCHMSA-N 0 1 391.309 2.871 20 0 GFADMN O=C(C[C@H]1COCCN1)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000567674994 564382623 /nfs/dbraw/zinc/38/26/23/564382623.db2.gz VIIRPPCWLITOLV-LBPRGKRZSA-N 0 1 376.806 2.885 20 0 GFADMN Cc1ccc(C[C@H](CO)NCc2ncc(I)s2)cc1 ZINC000511958924 564387074 /nfs/dbraw/zinc/38/70/74/564387074.db2.gz WHNDPXKTLHOECA-GFCCVEGCSA-N 0 1 388.274 2.749 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC000452100494 564391719 /nfs/dbraw/zinc/39/17/19/564391719.db2.gz ICZNGWMCQKQIML-QGZVFWFLSA-N 0 1 380.491 2.619 20 0 GFADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000452103928 564392718 /nfs/dbraw/zinc/39/27/18/564392718.db2.gz LDDKGANPRCLQBC-GFCCVEGCSA-N 0 1 379.295 2.691 20 0 GFADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCCS(=O)(=O)CC1 ZINC000544740563 564397476 /nfs/dbraw/zinc/39/74/76/564397476.db2.gz JAAGXUCOFXUVAH-UHFFFAOYSA-N 0 1 375.475 2.552 20 0 GFADMN CCc1nc(CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)n[nH]1 ZINC000452182752 564398128 /nfs/dbraw/zinc/39/81/28/564398128.db2.gz RKYSVDLDGJXCOS-UHFFFAOYSA-N 0 1 389.257 2.554 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(N(C)C)nc2)c1 ZINC000544847570 564401047 /nfs/dbraw/zinc/40/10/47/564401047.db2.gz IXGPAOFALJZRCJ-UHFFFAOYSA-N 0 1 386.271 2.720 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000568066323 564403287 /nfs/dbraw/zinc/40/32/87/564403287.db2.gz XFSUZRWGBRPVOX-JFOHDYCDSA-N 0 1 398.297 2.907 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000568063425 564403662 /nfs/dbraw/zinc/40/36/62/564403662.db2.gz GQUANMHDFHIOOQ-QWRGUYRKSA-N 0 1 380.293 2.625 20 0 GFADMN COc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c(Br)c1O ZINC000544943114 564405080 /nfs/dbraw/zinc/40/50/80/564405080.db2.gz LJDBQNACSGDVDS-LBPRGKRZSA-N 0 1 380.286 2.961 20 0 GFADMN CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(Cl)c(F)c2)c1 ZINC000512622825 564406742 /nfs/dbraw/zinc/40/67/42/564406742.db2.gz OYYHJUKIAULMRH-UHFFFAOYSA-N 0 1 385.892 2.931 20 0 GFADMN Cc1cc(Br)cc2c(C(=O)N(C)C[C@H](C)c3nn[nH]n3)coc21 ZINC000478579073 564408411 /nfs/dbraw/zinc/40/84/11/564408411.db2.gz GCOILCZAJCODGM-VIFPVBQESA-N 0 1 378.230 2.893 20 0 GFADMN O=C(CSc1cccc(C(F)(F)F)c1)N[C@H]1CCCN(CCCO)C1 ZINC000452377695 564409801 /nfs/dbraw/zinc/40/98/01/564409801.db2.gz SAETXOXTTJRKJJ-AWEZNQCLSA-N 0 1 376.444 2.761 20 0 GFADMN CN(C)S(=O)(=O)[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@H]1C(F)(F)F ZINC000512806502 564412502 /nfs/dbraw/zinc/41/25/02/564412502.db2.gz WXWHTFIZGOMKDX-QJPTWQEYSA-N 0 1 378.407 2.566 20 0 GFADMN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccccc1OCC(F)(F)F ZINC000513002462 564417753 /nfs/dbraw/zinc/41/77/53/564417753.db2.gz ZLFYQJMGWBMPOA-AWEZNQCLSA-N 0 1 380.432 2.531 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)CSCc2ncc(Cl)s2)C1 ZINC000478922189 564418885 /nfs/dbraw/zinc/41/88/85/564418885.db2.gz WUOMZVJYSYPCCP-LBPRGKRZSA-N 0 1 377.963 2.503 20 0 GFADMN C[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)C[C@H](C)N1C ZINC000513074113 564420019 /nfs/dbraw/zinc/42/00/19/564420019.db2.gz HAVRAIIXIFXSEM-PHIMTYICSA-N 0 1 378.270 2.868 20 0 GFADMN CCc1nnc(NC(=O)[C@H](CCOC)Cc2cccc(Br)c2)[nH]1 ZINC000479079314 564424853 /nfs/dbraw/zinc/42/48/53/564424853.db2.gz KVDYDQUADFBXMI-GFCCVEGCSA-N 0 1 381.274 2.964 20 0 GFADMN CCc1n[nH]c(NC(=O)[C@H](CCOC)Cc2cccc(Br)c2)n1 ZINC000479079314 564424857 /nfs/dbraw/zinc/42/48/57/564424857.db2.gz KVDYDQUADFBXMI-GFCCVEGCSA-N 0 1 381.274 2.964 20 0 GFADMN COC(=O)c1ccc(CNC(=O)c2n[nH]c3ccc(Br)cc32)o1 ZINC000513586036 564433020 /nfs/dbraw/zinc/43/30/20/564433020.db2.gz KVQDIZYMWQWJMX-UHFFFAOYSA-N 0 1 378.182 2.635 20 0 GFADMN O=S(=O)(CCN[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000568795285 564435199 /nfs/dbraw/zinc/43/51/99/564435199.db2.gz IXMSRGZMCOSHRJ-MRXNPFEDSA-N 0 1 376.869 2.611 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808852 564435591 /nfs/dbraw/zinc/43/55/91/564435591.db2.gz NPRDJWKDJYEHJA-QWRGUYRKSA-N 0 1 378.270 2.915 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC[N@H+]1C ZINC000568808852 564435595 /nfs/dbraw/zinc/43/55/95/564435595.db2.gz NPRDJWKDJYEHJA-QWRGUYRKSA-N 0 1 378.270 2.915 20 0 GFADMN COC[C@](C)(O)CCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262247 564450966 /nfs/dbraw/zinc/45/09/66/564450966.db2.gz SNMWWEASNLJCDQ-YVEFUNNKSA-N 0 1 397.317 2.776 20 0 GFADMN O=c1[nH]nc2n1CCN(Cc1cc(Br)cc(C(F)(F)F)c1)C2 ZINC000546308881 564453510 /nfs/dbraw/zinc/45/35/10/564453510.db2.gz YSKGNUPOZMAXQP-UHFFFAOYSA-N 0 1 377.164 2.781 20 0 GFADMN CSc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cnn1C ZINC000479938358 564455382 /nfs/dbraw/zinc/45/53/82/564455382.db2.gz HJGHIVOQIHQYGZ-UHFFFAOYSA-N 0 1 393.270 2.942 20 0 GFADMN Cc1cc(Br)cn2c(CN[C@@H]3C[C@@H]4CCCCN4C3=O)cnc12 ZINC000453641772 564461301 /nfs/dbraw/zinc/46/13/01/564461301.db2.gz YMEZISAYYQVUGZ-DZGCQCFKSA-N 0 1 377.286 2.648 20 0 GFADMN Cc1cc(Cl)cc(NC(=O)C(=O)NC[C@H]2CCCN2C)c1Br ZINC000453652194 564462316 /nfs/dbraw/zinc/46/23/16/564462316.db2.gz ZEFYVBGSPXCYCJ-LLVKDONJSA-N 0 1 388.693 2.560 20 0 GFADMN O=C(NCC[N@H+]1CCCOCC1)NCc1cc(Cl)ccc1Br ZINC000569600443 564470627 /nfs/dbraw/zinc/47/06/27/564470627.db2.gz UPQZOSGLGUOZCN-UHFFFAOYSA-N 0 1 390.709 2.624 20 0 GFADMN O=C(NCCN1CCCOCC1)NCc1cc(Cl)ccc1Br ZINC000569600443 564470628 /nfs/dbraw/zinc/47/06/28/564470628.db2.gz UPQZOSGLGUOZCN-UHFFFAOYSA-N 0 1 390.709 2.624 20 0 GFADMN COc1ccc(CNC[C@H]2CCCN2c2cccnn2)c(Br)c1O ZINC000546882624 564472330 /nfs/dbraw/zinc/47/23/30/564472330.db2.gz KABUEWFGKSUGNB-CYBMUJFWSA-N 0 1 393.285 2.712 20 0 GFADMN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000569672589 564473132 /nfs/dbraw/zinc/47/31/32/564473132.db2.gz VWPDEMLMBBIOKC-TXEJJXNPSA-N 0 1 380.432 2.968 20 0 GFADMN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000569687803 564473936 /nfs/dbraw/zinc/47/39/36/564473936.db2.gz RWHOKRYAFGOEMJ-MRVPVSSYSA-N 0 1 380.779 2.655 20 0 GFADMN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](NCc2ccco2)C1 ZINC000480453461 564474568 /nfs/dbraw/zinc/47/45/68/564474568.db2.gz KMHMJOOMWVPKSP-CQSZACIVSA-N 0 1 399.310 2.985 20 0 GFADMN Cc1c(Br)cccc1CC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000480514887 564477028 /nfs/dbraw/zinc/47/70/28/564477028.db2.gz VMDRWQCNUOGIQH-ZDUSSCGKSA-N 0 1 383.330 2.604 20 0 GFADMN CC(C)(C[N-]S(=O)(=O)c1sccc1Br)C[NH+]1CCCC1 ZINC000480761947 564487394 /nfs/dbraw/zinc/48/73/94/564487394.db2.gz TYDQFBTYEZCSQU-UHFFFAOYSA-N 0 1 381.361 2.911 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000480836102 564489999 /nfs/dbraw/zinc/48/99/99/564489999.db2.gz GMIDUOBGBUNIHU-WFASDCNBSA-N 0 1 387.343 2.827 20 0 GFADMN COC[C@@H](N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C(C)C ZINC000547503763 564491908 /nfs/dbraw/zinc/49/19/08/564491908.db2.gz PJPPBZHWOOAHJR-UONOGXRCSA-N 0 1 376.316 2.928 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000570133410 564492340 /nfs/dbraw/zinc/49/23/40/564492340.db2.gz XELMOWFTKANBBC-CYBMUJFWSA-N 0 1 378.416 2.573 20 0 GFADMN CC=CC[C@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000570504790 564509149 /nfs/dbraw/zinc/50/91/49/564509149.db2.gz RQMPXTDRKYDSIB-QAVQXKDTSA-N 0 1 390.241 2.621 20 0 GFADMN CC=CC[C@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000570504790 564509154 /nfs/dbraw/zinc/50/91/54/564509154.db2.gz RQMPXTDRKYDSIB-QAVQXKDTSA-N 0 1 390.241 2.621 20 0 GFADMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570516362 564509774 /nfs/dbraw/zinc/50/97/74/564509774.db2.gz AMJRKCQAPIRJSS-GFCCVEGCSA-N 0 1 380.432 2.970 20 0 GFADMN C[C@@](N)(C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680256 564517311 /nfs/dbraw/zinc/51/73/11/564517311.db2.gz LEUPRTOIVHMJSR-KXBFYZLASA-N 0 1 391.309 2.590 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000570717360 564518125 /nfs/dbraw/zinc/51/81/25/564518125.db2.gz YIESGXCHRHEQTM-AWEZNQCLSA-N 0 1 395.276 2.988 20 0 GFADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)cc1 ZINC000570914725 564526827 /nfs/dbraw/zinc/52/68/27/564526827.db2.gz DWGCCKKHYWFBLS-UHFFFAOYSA-N 0 1 387.454 2.819 20 0 GFADMN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482049788 564532285 /nfs/dbraw/zinc/53/22/85/564532285.db2.gz NXONWZQRNQIIGU-IUODEOHRSA-N 0 1 385.917 2.834 20 0 GFADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1ccc(F)c(F)c1 ZINC000482078231 564533527 /nfs/dbraw/zinc/53/35/27/564533527.db2.gz PVZYXUXRSZFUSQ-UHFFFAOYSA-N 0 1 390.521 2.995 20 0 GFADMN C[C@@H](NC[C@H](O)COCC1CC1)c1ccccc1I ZINC000482112910 564535080 /nfs/dbraw/zinc/53/50/80/564535080.db2.gz HAISSGUBQCYACL-YPMHNXCESA-N 0 1 375.250 2.729 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000517707847 564540400 /nfs/dbraw/zinc/54/04/00/564540400.db2.gz UCKCHXQARUHVHM-HNNXBMFYSA-N 0 1 387.343 2.923 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000517750873 564541496 /nfs/dbraw/zinc/54/14/96/564541496.db2.gz UGPDFAWOUASCBE-MRXNPFEDSA-N 0 1 394.265 2.776 20 0 GFADMN CCC(CC)(C(=O)NCC(=O)N1CCNCC1)c1ccc(Cl)c(Cl)c1 ZINC000517732118 564541525 /nfs/dbraw/zinc/54/15/25/564541525.db2.gz CYYKKSUDXARNEF-UHFFFAOYSA-N 0 1 386.323 2.599 20 0 GFADMN COc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c(Cl)c1 ZINC000571358403 564547374 /nfs/dbraw/zinc/54/73/74/564547374.db2.gz ASRVLVNUEQERJP-CABCVRRESA-N 0 1 390.958 2.549 20 0 GFADMN O=c1cc(CN2CCSC[C@H]2C2CC2)nc2ccc(Br)cn12 ZINC000571375618 564548397 /nfs/dbraw/zinc/54/83/97/564548397.db2.gz 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386.286 2.766 20 0 GFADMN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604668408 565933343 /nfs/dbraw/zinc/93/33/43/565933343.db2.gz AHJVLNLRJAQJPP-OAHLLOKOSA-N 0 1 387.311 2.521 20 0 GFADMN C[C@@H](CNCc1cn(C[C@@H]2CCOC2)nn1)Oc1ccccc1Br ZINC000631081893 565938554 /nfs/dbraw/zinc/93/85/54/565938554.db2.gz BNDUTGAKUXOWBX-KBPBESRZSA-N 0 1 395.301 2.634 20 0 GFADMN Cc1nnc(SCC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)[nH]1 ZINC000652747190 565938716 /nfs/dbraw/zinc/93/87/16/565938716.db2.gz ORFJXZNEPHHTOY-UHFFFAOYSA-N 0 1 386.308 2.861 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)n1 ZINC000652747190 565938720 /nfs/dbraw/zinc/93/87/20/565938720.db2.gz ORFJXZNEPHHTOY-UHFFFAOYSA-N 0 1 386.308 2.861 20 0 GFADMN Cc1cc(S(=O)(=O)NCCNCc2ccc(C(F)F)nc2)c(C)s1 ZINC000631098249 565941743 /nfs/dbraw/zinc/94/17/43/565941743.db2.gz MBLJRLBPVGUSAU-UHFFFAOYSA-N 0 1 375.466 2.766 20 0 GFADMN CSc1cc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c(Cl)cc1Cl ZINC000652900891 565946331 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GPWRDPFAKVPCLS-PSASIEDQSA-N 0 1 375.650 2.694 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C[C@H]1C(=O)[O-] ZINC000235344692 601523681 /nfs/dbraw/zinc/52/36/81/601523681.db2.gz GPWRDPFAKVPCLS-PSASIEDQSA-N 0 1 375.650 2.694 20 0 GFADMN COc1ccc(-c2nc(NC(=O)C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)sc2C)cc1 ZINC000832129589 601541878 /nfs/dbraw/zinc/54/18/78/601541878.db2.gz DOVLVRXMBKYUAX-XHDPSFHLSA-N 0 1 389.477 2.718 20 0 GFADMN CCN1C[C@H](CN(C)Cc2cc(-c3nn[nH]n3)ccc2OC)Oc2ccccc21 ZINC000825452448 607513212 /nfs/dbraw/zinc/51/32/12/607513212.db2.gz OPJHPAQMLIPXOA-KRWDZBQOSA-N 0 1 394.479 2.595 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC000244047252 601544347 /nfs/dbraw/zinc/54/43/47/601544347.db2.gz TTXBMWPFQUFOBB-OLZOCXBDSA-N 0 1 380.510 2.747 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@H]3CCO)c2C(=O)[O-])C1 ZINC000244047252 601544349 /nfs/dbraw/zinc/54/43/49/601544349.db2.gz TTXBMWPFQUFOBB-OLZOCXBDSA-N 0 1 380.510 2.747 20 0 GFADMN 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ZINC000829623851 601614138 /nfs/dbraw/zinc/61/41/38/601614138.db2.gz CIXMNQQLGGSQKX-UHFFFAOYSA-N 0 1 387.411 2.943 20 0 GFADMN CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)nc1 ZINC000829881530 601617657 /nfs/dbraw/zinc/61/76/57/601617657.db2.gz MFJRAGDUMMWWSN-UHFFFAOYSA-N 0 1 389.477 2.649 20 0 GFADMN C[C@H](c1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1)[NH+]1CCOCC1 ZINC000827935084 601722487 /nfs/dbraw/zinc/72/24/87/601722487.db2.gz NJFLIQQZUULBIY-OAHLLOKOSA-N 0 1 375.469 2.846 20 0 GFADMN Cc1noc(C)c1[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833019082 601733177 /nfs/dbraw/zinc/73/31/77/601733177.db2.gz DCKWGHZQHJORKS-SPLOXXLWSA-N 0 1 385.464 2.631 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2csc(C3CC3)n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129129 601741408 /nfs/dbraw/zinc/74/14/08/601741408.db2.gz UWSAIMJUOUGMSM-FQEVSTJZSA-N 0 1 385.489 2.870 20 0 GFADMN CC[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000829744192 601794917 /nfs/dbraw/zinc/79/49/17/601794917.db2.gz FSBRUWBREROVDB-ISVAXAHUSA-N 0 1 388.237 2.748 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832991307 601814616 /nfs/dbraw/zinc/81/46/16/601814616.db2.gz TWMYSYFGLMDRGG-IINYFYTJSA-N 0 1 379.258 2.626 20 0 GFADMN O=C([O-])c1sccc1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000833348268 601827232 /nfs/dbraw/zinc/82/72/32/601827232.db2.gz GNLKZYQWCLCRQM-INIZCTEOSA-N 0 1 380.897 2.951 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H](CN(C)C(=O)[O-])C3)cc(=O)oc2c1 ZINC000738572304 601853307 /nfs/dbraw/zinc/85/33/07/601853307.db2.gz OOCQSHKZRLWYPC-CQSZACIVSA-N 0 1 387.436 2.573 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000827928532 601889605 /nfs/dbraw/zinc/88/96/05/601889605.db2.gz ILQMLVSTVJAAMX-DZGCQCFKSA-N 0 1 376.478 2.844 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000827928532 601889607 /nfs/dbraw/zinc/88/96/07/601889607.db2.gz ILQMLVSTVJAAMX-DZGCQCFKSA-N 0 1 376.478 2.844 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706441 601906486 /nfs/dbraw/zinc/90/64/86/601906486.db2.gz LFKHANMLXPJYQN-SJCJKPOMSA-N 0 1 387.329 2.740 20 0 GFADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000825977214 601909770 /nfs/dbraw/zinc/90/97/70/601909770.db2.gz ASZFFAXZNMBYHN-LBPRGKRZSA-N 0 1 388.386 2.729 20 0 GFADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000825977214 601909774 /nfs/dbraw/zinc/90/97/74/601909774.db2.gz ASZFFAXZNMBYHN-LBPRGKRZSA-N 0 1 388.386 2.729 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000740640642 601937739 /nfs/dbraw/zinc/93/77/39/601937739.db2.gz GBLAVSRZZDHHFW-LAUBAEHRSA-N 0 1 393.487 2.750 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000828019934 601939855 /nfs/dbraw/zinc/93/98/55/601939855.db2.gz FIJJTLWXYGGXII-IFXJQAMLSA-N 0 1 387.461 2.815 20 0 GFADMN CCO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918297 601958769 /nfs/dbraw/zinc/95/87/69/601958769.db2.gz NKZXMANCGHFQSR-NWDGAFQWSA-N 0 1 386.290 2.889 20 0 GFADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918297 601958770 /nfs/dbraw/zinc/95/87/70/601958770.db2.gz NKZXMANCGHFQSR-NWDGAFQWSA-N 0 1 386.290 2.889 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000739585326 601965960 /nfs/dbraw/zinc/96/59/60/601965960.db2.gz POQQUUBUPJPSSZ-KGLIPLIRSA-N 0 1 376.375 2.519 20 0 GFADMN NS(=O)(=O)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000833088357 601971094 /nfs/dbraw/zinc/97/10/94/601971094.db2.gz JCYDKIXVBWNPJV-LBPRGKRZSA-N 0 1 395.289 2.618 20 0 GFADMN CC(C)Oc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000827038478 601976967 /nfs/dbraw/zinc/97/69/67/601976967.db2.gz NUQKKRWVGDBMFV-QFIPXVFZSA-N 0 1 397.475 2.718 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739645883 602062895 /nfs/dbraw/zinc/06/28/95/602062895.db2.gz ZCPDTOBYPYZVDA-RHSMWYFYSA-N 0 1 396.919 2.974 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)NCC1CCN(C(=O)[O-])CC1)c1ccccc1Cl ZINC000739609554 602063053 /nfs/dbraw/zinc/06/30/53/602063053.db2.gz WAVZJAJRLFDJGU-INIZCTEOSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738974143 602097224 /nfs/dbraw/zinc/09/72/24/602097224.db2.gz HMKGBFHCYAISST-YTQUADARSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738980903 602097361 /nfs/dbraw/zinc/09/73/61/602097361.db2.gz PKGZHCBXZDKWGI-QLFBSQMISA-N 0 1 394.541 2.572 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738980903 602097362 /nfs/dbraw/zinc/09/73/62/602097362.db2.gz PKGZHCBXZDKWGI-QLFBSQMISA-N 0 1 394.541 2.572 20 0 GFADMN CCC[C@@](C)(NC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000739293151 602132602 /nfs/dbraw/zinc/13/26/02/602132602.db2.gz XDWOKXIUZYRLFF-LJQANCHMSA-N 0 1 383.439 2.872 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000739581675 602144764 /nfs/dbraw/zinc/14/47/64/602144764.db2.gz HSIPWTMHWMJZSG-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000739581673 602145017 /nfs/dbraw/zinc/14/50/17/602145017.db2.gz HSIPWTMHWMJZSG-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740172211 602182560 /nfs/dbraw/zinc/18/25/60/602182560.db2.gz XUZDEOBYWZPGOA-IEBWSBKVSA-N 0 1 388.512 2.601 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001318 602259885 /nfs/dbraw/zinc/25/98/85/602259885.db2.gz MUERTHDJPXYETL-WBMJQRKESA-N 0 1 388.493 2.920 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001318 602259887 /nfs/dbraw/zinc/25/98/87/602259887.db2.gz MUERTHDJPXYETL-WBMJQRKESA-N 0 1 388.493 2.920 20 0 GFADMN CC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828957745 602263806 /nfs/dbraw/zinc/26/38/06/602263806.db2.gz AHDULTFFPMTIES-ZWKOTPCHSA-N 0 1 399.491 2.739 20 0 GFADMN CC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828957745 602263808 /nfs/dbraw/zinc/26/38/08/602263808.db2.gz AHDULTFFPMTIES-ZWKOTPCHSA-N 0 1 399.491 2.739 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])cc(=O)oc2c1 ZINC000738573976 602265830 /nfs/dbraw/zinc/26/58/30/602265830.db2.gz XACZCJYRWUBYCI-SJKOYZFVSA-N 0 1 387.436 2.762 20 0 GFADMN O=C([O-])NCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000740668010 602280468 /nfs/dbraw/zinc/28/04/68/602280468.db2.gz CVWJRVUHRXBGPV-QGZVFWFLSA-N 0 1 398.463 2.579 20 0 GFADMN C[C@@H](CNC(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000739111218 602287063 /nfs/dbraw/zinc/28/70/63/602287063.db2.gz POVNCRSUUGGYOV-GJZGRUSLSA-N 0 1 378.473 2.575 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)[O-])sc2C1 ZINC000739461917 602352694 /nfs/dbraw/zinc/35/26/94/602352694.db2.gz NCEPBLKANIECPX-OAHLLOKOSA-N 0 1 386.477 2.565 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)[O-])sc2C1 ZINC000739461917 602352696 /nfs/dbraw/zinc/35/26/96/602352696.db2.gz NCEPBLKANIECPX-OAHLLOKOSA-N 0 1 386.477 2.565 20 0 GFADMN C[C@H](CC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000827279627 602361802 /nfs/dbraw/zinc/36/18/02/602361802.db2.gz FSKPEOBJOYLBGS-GFCCVEGCSA-N 0 1 383.286 2.641 20 0 GFADMN CC(C)N(CCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)C(=O)[O-] ZINC000738839786 602363377 /nfs/dbraw/zinc/36/33/77/602363377.db2.gz PKUWHGIHDTZCMY-UHFFFAOYSA-N 0 1 384.480 2.658 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000740243020 602377068 /nfs/dbraw/zinc/37/70/68/602377068.db2.gz NXLGLKWQBLEKMI-QGZVFWFLSA-N 0 1 399.495 2.797 20 0 GFADMN CN(C[C@@H]1CCC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739635814 602398403 /nfs/dbraw/zinc/39/84/03/602398403.db2.gz HLIDOYPFSBMWRQ-ZDUSSCGKSA-N 0 1 376.482 2.581 20 0 GFADMN CN(C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739635814 602398405 /nfs/dbraw/zinc/39/84/05/602398405.db2.gz HLIDOYPFSBMWRQ-ZDUSSCGKSA-N 0 1 376.482 2.581 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739079736 602417859 /nfs/dbraw/zinc/41/78/59/602417859.db2.gz KXAZMDKDZZKQMJ-IYBDPMFKSA-N 0 1 382.549 2.774 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(CNC(=O)[O-])CCCC3)cc2)C[C@H](C)O1 ZINC000739187717 602442311 /nfs/dbraw/zinc/44/23/11/602442311.db2.gz WXMNRQCKCSKCBN-IYBDPMFKSA-N 0 1 389.496 2.606 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(CNC(=O)[O-])CCCC3)cc2)C[C@H](C)O1 ZINC000739187717 602442314 /nfs/dbraw/zinc/44/23/14/602442314.db2.gz WXMNRQCKCSKCBN-IYBDPMFKSA-N 0 1 389.496 2.606 20 0 GFADMN COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC([C@H](C)NC(=O)[O-])CC2)c1C ZINC000739806768 602448111 /nfs/dbraw/zinc/44/81/11/602448111.db2.gz NHTJRUOHJVCXMB-CABCVRRESA-N 0 1 379.501 2.863 20 0 GFADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000824612315 607568314 /nfs/dbraw/zinc/56/83/14/607568314.db2.gz MUCKIYXBVBDYTR-IFXJQAMLSA-N 0 1 383.452 2.875 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739860010 602535302 /nfs/dbraw/zinc/53/53/02/602535302.db2.gz LVPPGXGTVYHMMS-OLZOCXBDSA-N 0 1 383.876 2.916 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739860010 602535303 /nfs/dbraw/zinc/53/53/03/602535303.db2.gz LVPPGXGTVYHMMS-OLZOCXBDSA-N 0 1 383.876 2.916 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000739592377 602539774 /nfs/dbraw/zinc/53/97/74/602539774.db2.gz FADGIURPROVYTG-SFHVURJKSA-N 0 1 381.432 2.546 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)C1)C(=O)[O-] ZINC000739661631 602543594 /nfs/dbraw/zinc/54/35/94/602543594.db2.gz RNWTTYDGRRDEQQ-MRXNPFEDSA-N 0 1 389.496 2.556 20 0 GFADMN Cc1nn(C)c(C)c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740245099 602557697 /nfs/dbraw/zinc/55/76/97/602557697.db2.gz GHEIPEFPFOTXMA-GOSISDBHSA-N 0 1 399.495 2.620 20 0 GFADMN Cc1nn(C)c(C)c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740245099 602557700 /nfs/dbraw/zinc/55/77/00/602557700.db2.gz GHEIPEFPFOTXMA-GOSISDBHSA-N 0 1 399.495 2.620 20 0 GFADMN C[C@H]1CN(C(=O)[O-])CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000739155919 602575461 /nfs/dbraw/zinc/57/54/61/602575461.db2.gz UHBMUQUQOHHAKG-UXDRXVOSSA-N 0 1 386.496 2.576 20 0 GFADMN C[C@H](C(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738613409 602589657 /nfs/dbraw/zinc/58/96/57/602589657.db2.gz JULXQMPSXGDRHA-LSTHTHJFSA-N 0 1 385.508 2.814 20 0 GFADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739096426 602601396 /nfs/dbraw/zinc/60/13/96/602601396.db2.gz ZBIIVKBHJWIASO-SOLBZPMBSA-N 0 1 380.533 2.813 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)C1 ZINC000739266969 602632143 /nfs/dbraw/zinc/63/21/43/602632143.db2.gz PCSAUHZDBPCDDR-SJORKVTESA-N 0 1 382.549 2.918 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730282 602719062 /nfs/dbraw/zinc/71/90/62/602719062.db2.gz VDCLOBOFQHMKKU-QILLFSRXSA-N 0 1 375.444 2.785 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730282 602719063 /nfs/dbraw/zinc/71/90/63/602719063.db2.gz VDCLOBOFQHMKKU-QILLFSRXSA-N 0 1 375.444 2.785 20 0 GFADMN C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@@H]1NC(=O)[O-] ZINC000739187989 602765638 /nfs/dbraw/zinc/76/56/38/602765638.db2.gz LGMARDMIBAJCEZ-BDAKNGLRSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@@H]1NC(=O)[O-] ZINC000739187989 602765640 /nfs/dbraw/zinc/76/56/40/602765640.db2.gz LGMARDMIBAJCEZ-BDAKNGLRSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739167307 602785303 /nfs/dbraw/zinc/78/53/03/602785303.db2.gz ATMMMOBYSMURTI-XHDPSFHLSA-N 0 1 388.295 2.930 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179130 602788493 /nfs/dbraw/zinc/78/84/93/602788493.db2.gz LRQISRUCNFENQW-APWZRJJASA-N 0 1 388.512 2.984 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179130 602788496 /nfs/dbraw/zinc/78/84/96/602788496.db2.gz LRQISRUCNFENQW-APWZRJJASA-N 0 1 388.512 2.984 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000739237922 602840576 /nfs/dbraw/zinc/84/05/76/602840576.db2.gz PQAPRTIODQZHMD-OIPACUDHSA-N 0 1 377.485 2.917 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000739237922 602840580 /nfs/dbraw/zinc/84/05/80/602840580.db2.gz PQAPRTIODQZHMD-OIPACUDHSA-N 0 1 377.485 2.917 20 0 GFADMN CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CC2)cn1 ZINC000827700772 602868613 /nfs/dbraw/zinc/86/86/13/602868613.db2.gz PVRSFARSPXXFTI-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)CC2)cn1 ZINC000827700772 602868616 /nfs/dbraw/zinc/86/86/16/602868616.db2.gz PVRSFARSPXXFTI-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN C[C@H]1C[C@@H](N(C)C(=O)NCCN(C(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739082053 602912544 /nfs/dbraw/zinc/91/25/44/602912544.db2.gz KMCDWTCYKHJVJZ-LPHOPBHVSA-N 0 1 388.512 2.823 20 0 GFADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826691409 602967981 /nfs/dbraw/zinc/96/79/81/602967981.db2.gz REOOBOOEZRVXOJ-KRWDZBQOSA-N 0 1 385.468 2.518 20 0 GFADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826691409 602967982 /nfs/dbraw/zinc/96/79/82/602967982.db2.gz REOOBOOEZRVXOJ-KRWDZBQOSA-N 0 1 385.468 2.518 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736811384 602986064 /nfs/dbraw/zinc/98/60/64/602986064.db2.gz YNWSSVDVCXHJLP-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736811384 602986066 /nfs/dbraw/zinc/98/60/66/602986066.db2.gz YNWSSVDVCXHJLP-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN CCN(CCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000739420070 603029386 /nfs/dbraw/zinc/02/93/86/603029386.db2.gz OWABXWYGELHZDT-OAHLLOKOSA-N 0 1 378.473 2.591 20 0 GFADMN C[C@H](c1ccc(NC(=O)NC[C@@H]2CCCCN2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000739054577 603030797 /nfs/dbraw/zinc/03/07/97/603030797.db2.gz AEVHRVRJMPKBLO-QAPCUYQASA-N 0 1 390.484 2.734 20 0 GFADMN C[C@@H](c1ccc(NC(=O)NC[C@@H]2CCCCN2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000739054580 603030970 /nfs/dbraw/zinc/03/09/70/603030970.db2.gz AEVHRVRJMPKBLO-YJBOKZPZSA-N 0 1 390.484 2.734 20 0 GFADMN C[C@H](c1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739060295 603031099 /nfs/dbraw/zinc/03/10/99/603031099.db2.gz YBENRASQBLBAEK-HZPDHXFCSA-N 0 1 390.484 2.591 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739712282 603097384 /nfs/dbraw/zinc/09/73/84/603097384.db2.gz VAAGAIPOOKSYMN-LJQANCHMSA-N 0 1 388.512 2.586 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000738664630 603117549 /nfs/dbraw/zinc/11/75/49/603117549.db2.gz ILSDZTFJFUBQHI-FQEVSTJZSA-N 0 1 384.436 2.535 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000740566639 603256982 /nfs/dbraw/zinc/25/69/82/603256982.db2.gz UUZMRMYUXDHTRI-VQTJNVASSA-N 0 1 387.524 2.980 20 0 GFADMN C[N@@H+](CCNC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)Cc1ccccc1 ZINC000739697149 603293661 /nfs/dbraw/zinc/29/36/61/603293661.db2.gz GZWBCWGTWPYVGQ-UHFFFAOYSA-N 0 1 382.464 2.976 20 0 GFADMN O=C([O-])N1CC[C@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000740499061 603324805 /nfs/dbraw/zinc/32/48/05/603324805.db2.gz JPLDGWOWGRDGNL-GFCCVEGCSA-N 0 1 386.279 2.751 20 0 GFADMN O=C([O-])N1CC[C@@H](C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 ZINC000740411553 603336283 /nfs/dbraw/zinc/33/62/83/603336283.db2.gz JKDMGCZJMZWGBN-CABCVRRESA-N 0 1 378.448 2.659 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CCN1C(=O)[O-] ZINC000739184502 603365455 /nfs/dbraw/zinc/36/54/55/603365455.db2.gz WMGGICAJBPXZEH-SNVBAGLBSA-N 0 1 388.237 2.601 20 0 GFADMN C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694612 603391343 /nfs/dbraw/zinc/39/13/43/603391343.db2.gz RYZBNOXQGIQDSI-KBXCAEBGSA-N 0 1 387.505 2.867 20 0 GFADMN C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694612 603391344 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NEQSUZVSLUNOAS-DYVFJYSZSA-N 0 1 392.452 2.638 20 0 GFADMN O=C([O-])[C@@H](O)C1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000833770803 605248679 /nfs/dbraw/zinc/24/86/79/605248679.db2.gz NYECPWOWWUHDJM-ZDUSSCGKSA-N 0 1 394.212 2.708 20 0 GFADMN C[N@H+]1CCCN(c2ccc(NC(=O)CN(C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000828489070 605267838 /nfs/dbraw/zinc/26/78/38/605267838.db2.gz QPADGVYJJWBXKQ-UHFFFAOYSA-N 0 1 382.464 2.952 20 0 GFADMN C[C@@H]1CN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833618582 605280414 /nfs/dbraw/zinc/28/04/14/605280414.db2.gz OVBZEPINPDJBJX-CYBMUJFWSA-N 0 1 386.414 2.990 20 0 GFADMN O=C([O-])N[C@H]1CCc2ncc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2C1 ZINC000834192367 605330271 /nfs/dbraw/zinc/33/02/71/605330271.db2.gz PBAZMIKEYNRGCQ-ZBFHGGJFSA-N 0 1 386.496 2.800 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824329871 605376212 /nfs/dbraw/zinc/37/62/12/605376212.db2.gz MNJOOFACUXRBMA-LJQANCHMSA-N 0 1 388.512 2.953 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C[C@@H]21 ZINC000834180906 605432595 /nfs/dbraw/zinc/43/25/95/605432595.db2.gz AADHRWHXODIEHJ-BVPBIZIASA-N 0 1 375.444 2.514 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Br)cc3)C[C@@H]21 ZINC000834188999 605446262 /nfs/dbraw/zinc/44/62/62/605446262.db2.gz RKNKODRSYTXJOG-SLBVQIDZSA-N 0 1 383.286 2.851 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000834028268 605519039 /nfs/dbraw/zinc/51/90/39/605519039.db2.gz NSIGVQBIJINTDN-UONOGXRCSA-N 0 1 379.423 2.690 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000834026798 605521219 /nfs/dbraw/zinc/52/12/19/605521219.db2.gz MXWMURNEBFCZFN-JSGCOSHPSA-N 0 1 385.917 2.872 20 0 GFADMN O=C(C[C@@H]1CSCCN1C(=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000831409598 605628475 /nfs/dbraw/zinc/62/84/75/605628475.db2.gz WCKLBQDAGCVLCC-QZTJIDSGSA-N 0 1 391.537 2.500 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000834026258 605685816 /nfs/dbraw/zinc/68/58/16/605685816.db2.gz LYCJRSPLJMKRAN-YJBOKZPZSA-N 0 1 384.480 2.639 20 0 GFADMN Cn1cc(-c2nc([C@H]3CCCCC[N@H+]3C[C@@H]3CCCN(C(=O)[O-])C3)no2)cn1 ZINC000833945014 605777178 /nfs/dbraw/zinc/77/71/78/605777178.db2.gz LPEZIGNHMZYUEV-GOEBONIOSA-N 0 1 388.472 2.777 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)NCCc2ccc(-c3ccccc3)cc2)CC1 ZINC000832386919 605800159 /nfs/dbraw/zinc/80/01/59/605800159.db2.gz SHSDFQRGJONUOU-UHFFFAOYSA-N 0 1 381.476 2.744 20 0 GFADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833548064 605829879 /nfs/dbraw/zinc/82/98/79/605829879.db2.gz KUYSPYCSBRWWFU-LLVKDONJSA-N 0 1 382.869 2.879 20 0 GFADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833548064 605829880 /nfs/dbraw/zinc/82/98/80/605829880.db2.gz KUYSPYCSBRWWFU-LLVKDONJSA-N 0 1 382.869 2.879 20 0 GFADMN CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000833663023 605851417 /nfs/dbraw/zinc/85/14/17/605851417.db2.gz FJYPCTRFCJGJNL-GDBMZVCRSA-N 0 1 378.469 2.600 20 0 GFADMN CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000833663023 605851419 /nfs/dbraw/zinc/85/14/19/605851419.db2.gz FJYPCTRFCJGJNL-GDBMZVCRSA-N 0 1 378.469 2.600 20 0 GFADMN C[C@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520749 605860081 /nfs/dbraw/zinc/86/00/81/605860081.db2.gz HKHDTTIGNRUVLF-DOTOQJQBSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)cc2)C[C@H](C)O1 ZINC000826057112 605861055 /nfs/dbraw/zinc/86/10/55/605861055.db2.gz HALHUJIDCQRWHT-JEWRLFTDSA-N 0 1 389.496 2.557 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)cc2)C[C@H](C)O1 ZINC000826057112 605861058 /nfs/dbraw/zinc/86/10/58/605861058.db2.gz HALHUJIDCQRWHT-JEWRLFTDSA-N 0 1 389.496 2.557 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833828833 605887099 /nfs/dbraw/zinc/88/70/99/605887099.db2.gz FUPOXVWAOCKSFJ-GRYCIOLGSA-N 0 1 384.274 2.754 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000834094456 605898141 /nfs/dbraw/zinc/89/81/41/605898141.db2.gz RXQMPXZDBXFHTH-INIZCTEOSA-N 0 1 382.888 2.683 20 0 GFADMN O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000834089380 605910551 /nfs/dbraw/zinc/91/05/51/605910551.db2.gz ZGWNAIWGIRWYHY-SFHVURJKSA-N 0 1 389.471 2.783 20 0 GFADMN O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000834089380 605910556 /nfs/dbraw/zinc/91/05/56/605910556.db2.gz ZGWNAIWGIRWYHY-SFHVURJKSA-N 0 1 389.471 2.783 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000833835379 605910885 /nfs/dbraw/zinc/91/08/85/605910885.db2.gz YKJMUFFEDNXZDB-QWRGUYRKSA-N 0 1 385.258 2.698 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c(C(=O)[O-])c1 ZINC000833510802 605918816 /nfs/dbraw/zinc/91/88/16/605918816.db2.gz RHMPPYFGYBKOEI-ZBFHGGJFSA-N 0 1 387.480 2.532 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c(C(=O)[O-])c1 ZINC000833510802 605918818 /nfs/dbraw/zinc/91/88/18/605918818.db2.gz RHMPPYFGYBKOEI-ZBFHGGJFSA-N 0 1 387.480 2.532 20 0 GFADMN O=C([O-])N1CCc2ncc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)cc2C1 ZINC000834119154 605925976 /nfs/dbraw/zinc/92/59/76/605925976.db2.gz BXYCNTJUKHSLCF-UHFFFAOYSA-N 0 1 387.484 2.600 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833856958 605930350 /nfs/dbraw/zinc/93/03/50/605930350.db2.gz YEMSMJJHLJEFHK-UHFFFAOYSA-N 0 1 388.512 2.814 20 0 GFADMN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCCCN1Cc1ccccc1 ZINC000823234804 606024161 /nfs/dbraw/zinc/02/41/61/606024161.db2.gz OGVYFGMBKNLCIF-LJQANCHMSA-N 0 1 394.454 2.677 20 0 GFADMN Fc1ccc(-c2n[nH]c(CNc3nc4ccccc4cc3-c3nn[nH]n3)n2)cc1 ZINC000822753159 606075059 /nfs/dbraw/zinc/07/50/59/606075059.db2.gz HCXFBLUORGYLOG-UHFFFAOYSA-N 0 1 387.382 2.951 20 0 GFADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000819876939 606114920 /nfs/dbraw/zinc/11/49/20/606114920.db2.gz KPWCTRRIHOVMIX-AGIUHOORSA-N 0 1 386.525 2.866 20 0 GFADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821455268 606115959 /nfs/dbraw/zinc/11/59/59/606115959.db2.gz IYEPDGBODLZMNN-SNVBAGLBSA-N 0 1 382.559 2.947 20 0 GFADMN O=C(NCc1cnc[nH]1)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000823229409 606279200 /nfs/dbraw/zinc/27/92/00/606279200.db2.gz PYGDGQDEAIHXQJ-UHFFFAOYSA-N 0 1 395.810 2.966 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000822534936 606374173 /nfs/dbraw/zinc/37/41/73/606374173.db2.gz CTDFPHXSLIGGNY-UHFFFAOYSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000822534936 606374174 /nfs/dbraw/zinc/37/41/74/606374174.db2.gz CTDFPHXSLIGGNY-UHFFFAOYSA-N 0 1 397.483 2.553 20 0 GFADMN CC(C)CN1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000820092749 606441065 /nfs/dbraw/zinc/44/10/65/606441065.db2.gz OSXQVIJBGWTHIW-CYBMUJFWSA-N 0 1 384.406 2.654 20 0 GFADMN Cc1nnc([C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)o1 ZINC000822510830 606487945 /nfs/dbraw/zinc/48/79/45/606487945.db2.gz WPCGEOIZDFDPMY-CYBMUJFWSA-N 0 1 391.382 2.539 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(Cn2cccn2)CC1 ZINC000822733331 606489262 /nfs/dbraw/zinc/48/92/62/606489262.db2.gz YHFCYDWEJJQBKN-UHFFFAOYSA-N 0 1 389.410 2.577 20 0 GFADMN CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c(C)c2)CC1 ZINC000821276379 606493500 /nfs/dbraw/zinc/49/35/00/606493500.db2.gz KGKAYDLMGSCCHO-UHFFFAOYSA-N 0 1 397.508 2.631 20 0 GFADMN CC(C)[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N1CCCC1 ZINC000820016995 606559975 /nfs/dbraw/zinc/55/99/75/606559975.db2.gz SBKDYKZOFPTHIF-OAHLLOKOSA-N 0 1 395.410 2.632 20 0 GFADMN CC(C)(C)OCc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000819951223 606590528 /nfs/dbraw/zinc/59/05/28/606590528.db2.gz PESNCRJICYARCW-UHFFFAOYSA-N 0 1 387.465 2.983 20 0 GFADMN O=C(CC1CCCCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822940912 606626967 /nfs/dbraw/zinc/62/69/67/606626967.db2.gz JKSZGYRCKITPRJ-UHFFFAOYSA-N 0 1 399.499 2.741 20 0 GFADMN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)c2n1 ZINC000822279921 606633007 /nfs/dbraw/zinc/63/30/07/606633007.db2.gz FTNVMWSHSNLPRS-UHFFFAOYSA-N 0 1 384.396 2.663 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(C)C2CCC(C)(C)CC2)cc1-c1nn[nH]n1 ZINC000821970713 606700997 /nfs/dbraw/zinc/70/09/97/606700997.db2.gz RFROQUIMJCWHBU-UHFFFAOYSA-N 0 1 376.486 2.730 20 0 GFADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414263 606711797 /nfs/dbraw/zinc/71/17/97/606711797.db2.gz XEWARBWOHBRLJK-ZBEGNZNMSA-N 0 1 384.390 2.601 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820414262 606711827 /nfs/dbraw/zinc/71/18/27/606711827.db2.gz XEWARBWOHBRLJK-MEDUHNTESA-N 0 1 384.390 2.601 20 0 GFADMN NC(=O)[C@H](NCCc1cccc(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850737 606717528 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662614340 /nfs/dbraw/zinc/61/43/40/662614340.db2.gz IWOAQZUHIYZNJY-NEPJUHHUSA-N 0 1 390.233 2.813 20 0 GFADMN O=C([C@@H](O)c1c[nH]cn1)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000868927960 662625188 /nfs/dbraw/zinc/62/51/88/662625188.db2.gz FTJLOGIOBXFXIN-ZBFHGGJFSA-N 0 1 378.270 2.829 20 0 GFADMN CCC[N@H+]1CC[C@H](NC(=O)c2cc(Br)ncc2Br)C1 ZINC000869285199 662639757 /nfs/dbraw/zinc/63/97/57/662639757.db2.gz NNAOMXPKQJAMGQ-VIFPVBQESA-N 0 1 391.107 2.821 20 0 GFADMN O=C(c1n[nH]cc1C(F)(F)F)N1CC(O)(c2ccc(Br)cc2)C1 ZINC000869341764 662642615 /nfs/dbraw/zinc/64/26/15/662642615.db2.gz VJSJWHSRIHLJCA-UHFFFAOYSA-N 0 1 390.159 2.535 20 0 GFADMN C[C@@H]1CCn2cc(C(=O)Nc3n[nH]c4cnc(Br)cc43)nc2C1 ZINC000869770282 662660665 /nfs/dbraw/zinc/66/06/65/662660665.db2.gz PEWCOVDRBCPHRI-MRVPVSSYSA-N 0 1 375.230 2.752 20 0 GFADMN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1n[nH]c2cnc(Br)cc21 ZINC000869772043 662661071 /nfs/dbraw/zinc/66/10/71/662661071.db2.gz KEMVMKHQYRQPKV-NXEZZACHSA-N 0 1 383.246 2.633 20 0 GFADMN COc1ccc([C@@H]2CN(C(=O)c3n[nH]c(C)c3Br)CCO2)cc1 ZINC000870104153 662674448 /nfs/dbraw/zinc/67/44/48/662674448.db2.gz RGLYISBPSBUZMP-ZDUSSCGKSA-N 0 1 380.242 2.703 20 0 GFADMN N[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)c1cccc(Br)c1 ZINC000870862900 662703828 /nfs/dbraw/zinc/70/38/28/662703828.db2.gz FPMAPDMAPTUFOY-KRWDZBQOSA-N 0 1 389.297 2.761 20 0 GFADMN N[C@H](C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000870903482 662707428 /nfs/dbraw/zinc/70/74/28/662707428.db2.gz WHAJYLYATLWOKJ-GUYCJALGSA-N 0 1 395.272 2.555 20 0 GFADMN CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870958665 662711473 /nfs/dbraw/zinc/71/14/73/662711473.db2.gz ZOYFHJSDQGVZRB-OAHLLOKOSA-N 0 1 377.286 2.783 20 0 GFADMN C[N@H+]1CCN(C(=O)c2cccc(I)c2[O-])CCC1(C)C ZINC000871156106 662716361 /nfs/dbraw/zinc/71/63/61/662716361.db2.gz NVSMKBZESNGRRA-UHFFFAOYSA-N 0 1 388.249 2.553 20 0 GFADMN Cc1csc([C@@](O)(CC(=O)NOCCCC(F)(F)F)C(F)(F)F)n1 ZINC000871211775 662717802 /nfs/dbraw/zinc/71/78/02/662717802.db2.gz 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CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC000871981745 662748774 /nfs/dbraw/zinc/74/87/74/662748774.db2.gz KTFZSTGRFPYZMZ-SNVBAGLBSA-N 0 1 392.880 2.576 20 0 GFADMN CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC000871981849 662748801 /nfs/dbraw/zinc/74/88/01/662748801.db2.gz PEVZVCAHUSQPIS-SNVBAGLBSA-N 0 1 392.880 2.576 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1Cl ZINC000871981762 662748837 /nfs/dbraw/zinc/74/88/37/662748837.db2.gz LEOLTDJJSDQBEC-GFCCVEGCSA-N 0 1 388.917 2.745 20 0 GFADMN CCOC(=O)[C@@H](C)C1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000871993225 662750126 /nfs/dbraw/zinc/75/01/26/662750126.db2.gz NCIFYOBALIIKHZ-FZMZJTMJSA-N 0 1 376.280 2.864 20 0 GFADMN COc1ccc(Br)cc1C1(c2noc([C@@]3(C)CNCCO3)n2)CC1 ZINC000872183202 662757491 /nfs/dbraw/zinc/75/74/91/662757491.db2.gz CKHKMQFHQDXNDH-MRXNPFEDSA-N 0 1 394.269 2.756 20 0 GFADMN CCCCOc1ccc(NS(=O)(=O)c2cn(C)nc2Br)cn1 ZINC000872363842 662762633 /nfs/dbraw/zinc/76/26/33/662762633.db2.gz SZMFBGNSRUCUEM-UHFFFAOYSA-N 0 1 389.275 2.557 20 0 GFADMN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1csc(Br)c1 ZINC000872436529 662766328 /nfs/dbraw/zinc/76/63/28/662766328.db2.gz HLBXXKFMYYOCRO-GOSISDBHSA-N 0 1 389.362 2.741 20 0 GFADMN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccsc1Br ZINC000872483779 662771693 /nfs/dbraw/zinc/77/16/93/662771693.db2.gz LICRFSLKZBFUEV-SFHVURJKSA-N 0 1 389.362 2.741 20 0 GFADMN OC1(CN2CCOCC2)CCN(c2nc3c(cc(Cl)cc3F)s2)CC1 ZINC000872504102 662773332 /nfs/dbraw/zinc/77/33/32/662773332.db2.gz DJFZHEZPWYXCBK-UHFFFAOYSA-N 0 1 385.892 2.752 20 0 GFADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3sccc3Br)C2)cn1 ZINC000873644987 662811175 /nfs/dbraw/zinc/81/11/75/662811175.db2.gz IPSNYDKOUSJQBZ-GHMZBOCLSA-N 0 1 384.299 2.934 20 0 GFADMN CCN(CCC(F)(F)F)C(=O)c1cnc(I)c(O)c1 ZINC000874256532 662826846 /nfs/dbraw/zinc/82/68/46/662826846.db2.gz KMISYGNWNXEWHY-UHFFFAOYSA-N 0 1 388.127 2.806 20 0 GFADMN Cn1cccc1[C@@H]1CCCN1C(=O)c1cnc(I)c(O)c1 ZINC000873870599 662816706 /nfs/dbraw/zinc/81/67/06/662816706.db2.gz JKRWUOKHMJSFFE-LBPRGKRZSA-N 0 1 397.216 2.708 20 0 GFADMN CCCCn1nccc1NC(=O)c1cnc(I)c(O)c1 ZINC000874262388 662826952 /nfs/dbraw/zinc/82/69/52/662826952.db2.gz QXWPERUEGPSRHA-UHFFFAOYSA-N 0 1 386.193 2.641 20 0 GFADMN CCO[C@@H](C(=O)Nc1nc(-c2ccccc2Br)n[nH]1)[C@@H]1CCOC1 ZINC000875073019 662841576 /nfs/dbraw/zinc/84/15/76/662841576.db2.gz HAIJCCGOUFBIII-ZWNOBZJWSA-N 0 1 395.257 2.614 20 0 GFADMN CN(C)C[C@@H](NC(=O)NCCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000875458090 662846344 /nfs/dbraw/zinc/84/63/44/662846344.db2.gz RSQBFZGHDRUANR-MRXNPFEDSA-N 0 1 382.295 2.928 20 0 GFADMN CCS(=O)(=O)C[C@H](C)N(C)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736094 662865663 /nfs/dbraw/zinc/86/56/63/662865663.db2.gz GAZALNIQUXLZAI-HOTGVXAUSA-N 0 1 376.563 2.779 20 0 GFADMN COc1ccc([C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])C[C@H]2[NH3+])cc1 ZINC000877237830 662872410 /nfs/dbraw/zinc/87/24/10/662872410.db2.gz LCNYUQWTDHEBOG-JKSUJKDBSA-N 0 1 391.265 2.730 20 0 GFADMN C[C@](N)(C(=O)N1CCO[C@@H](C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000877383426 662875142 /nfs/dbraw/zinc/87/51/42/662875142.db2.gz ZYKVHSRRBYEKIS-TZMCWYRMSA-N 0 1 395.219 2.803 20 0 GFADMN O[C@H](CCNCc1cn(C[C@H]2CCCO2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000877529046 662878221 /nfs/dbraw/zinc/87/82/21/662878221.db2.gz RDEYSHFRZJFMKW-RHSMWYFYSA-N 0 1 385.295 2.977 20 0 GFADMN Cn1nnnc1C1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000877780760 662883432 /nfs/dbraw/zinc/88/34/32/662883432.db2.gz BXDBOKHZJQWBNE-UHFFFAOYSA-N 0 1 387.285 2.900 20 0 GFADMN CONC(=O)C1CCN(Cc2ccnc3c(Br)cccc23)CC1 ZINC000877786163 662883643 /nfs/dbraw/zinc/88/36/43/662883643.db2.gz XKJSQBYMQKTNIQ-UHFFFAOYSA-N 0 1 378.270 2.887 20 0 GFADMN COCCNC(=O)C1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877916856 662885853 /nfs/dbraw/zinc/88/58/53/662885853.db2.gz OIJJXEHVVNXZQZ-MRXNPFEDSA-N 0 1 375.296 2.501 20 0 GFADMN COCCCNC(=O)C1CCN(CCc2ccccc2Br)CC1 ZINC000877985835 662887627 /nfs/dbraw/zinc/88/76/27/662887627.db2.gz GCYHEDXBSIAKHA-UHFFFAOYSA-N 0 1 383.330 2.856 20 0 GFADMN COC(=O)c1cn(C2CCN(CCc3ccccc3Br)CC2)nn1 ZINC000878430770 662896195 /nfs/dbraw/zinc/89/61/95/662896195.db2.gz RUZPPPDWCVPJDT-UHFFFAOYSA-N 0 1 393.285 2.707 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cn2cc(Br)ncc2n1 ZINC000879516493 662928176 /nfs/dbraw/zinc/92/81/76/662928176.db2.gz KOTWOTHEBWQWJD-RMLUDKJBSA-N 0 1 375.230 2.520 20 0 GFADMN Cc1c(Br)nccc1NC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000879659527 662934324 /nfs/dbraw/zinc/93/43/24/662934324.db2.gz BEUDACXDNUXFPH-UHFFFAOYSA-N 0 1 397.317 2.729 20 0 GFADMN CCN(CC)[C@H](CNC(=O)Nc1cn(C)nc1Br)c1ccco1 ZINC000880043729 662946818 /nfs/dbraw/zinc/94/68/18/662946818.db2.gz QNOHSFGNIAOADR-GFCCVEGCSA-N 0 1 384.278 2.980 20 0 GFADMN O=C(NCC1SCCS1)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000880438884 662960130 /nfs/dbraw/zinc/96/01/30/662960130.db2.gz CXAOFVAKAAEIDK-UHFFFAOYSA-N 0 1 397.419 2.932 20 0 GFADMN O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881475632 662995565 /nfs/dbraw/zinc/99/55/65/662995565.db2.gz YVEGOCNSNXRXQA-AWEZNQCLSA-N 0 1 383.286 2.528 20 0 GFADMN N=[S@@](=O)(c1ccc(N2CCN(C3CCOCC3)CC2)cc1)C(F)(F)F ZINC000882048758 663014982 /nfs/dbraw/zinc/01/49/82/663014982.db2.gz FUFPKSJXBXNOCE-RUZDIDTESA-N 0 1 377.432 2.913 20 0 GFADMN Cc1cc(C2CCN(S(=O)(=O)N=[S@@](C)(=O)C3CCCCC3)CC2)n[nH]1 ZINC000882055991 663015195 /nfs/dbraw/zinc/01/51/95/663015195.db2.gz YSNZAIHGIWQKIC-DEOSSOPVSA-N 0 1 388.559 2.573 20 0 GFADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882246541 663022292 /nfs/dbraw/zinc/02/22/92/663022292.db2.gz RNMMUXABFOBXDR-SNVBAGLBSA-N 0 1 385.839 2.857 20 0 GFADMN COc1ccc(NS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c(OC)c1 ZINC000882662149 663035537 /nfs/dbraw/zinc/03/55/37/663035537.db2.gz LAIUIWPEJPKMSL-QHCPKHFHSA-N 0 1 376.500 2.791 20 0 GFADMN CCC(C)(C)OCc1ccccc1NS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882714257 663037955 /nfs/dbraw/zinc/03/79/55/663037955.db2.gz QQLFCWMAGAHBEW-QHCPKHFHSA-N 0 1 377.532 2.623 20 0 GFADMN CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884055078 663064221 /nfs/dbraw/zinc/06/42/21/663064221.db2.gz BAOOTNDQJJJZPO-KRWDZBQOSA-N 0 1 391.265 2.879 20 0 GFADMN CCO[C@H](C)c1noc(CN(C)C(=O)[C@@H](N)c2ccc(Br)cc2)n1 ZINC000884160784 663066317 /nfs/dbraw/zinc/06/63/17/663066317.db2.gz OBGOAPHDYVXFHM-YGRLFVJLSA-N 0 1 397.273 2.588 20 0 GFADMN CSCc1n[nH]c(CNC(=O)NCc2cc(C)ccc2Br)n1 ZINC000884414927 663070300 /nfs/dbraw/zinc/07/03/00/663070300.db2.gz FXNZZNNZRGAGMY-UHFFFAOYSA-N 0 1 384.303 2.738 20 0 GFADMN CSCc1nnc(CNC(=O)NCc2cc(C)ccc2Br)[nH]1 ZINC000884414927 663070303 /nfs/dbraw/zinc/07/03/03/663070303.db2.gz FXNZZNNZRGAGMY-UHFFFAOYSA-N 0 1 384.303 2.738 20 0 GFADMN CSCc1n[nH]c(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)n1 ZINC000886326550 663108314 /nfs/dbraw/zinc/10/83/14/663108314.db2.gz MRYTXNYZRJRAHN-UHFFFAOYSA-N 0 1 384.296 2.845 20 0 GFADMN CSCc1nnc(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)[nH]1 ZINC000886326550 663108318 /nfs/dbraw/zinc/10/83/18/663108318.db2.gz MRYTXNYZRJRAHN-UHFFFAOYSA-N 0 1 384.296 2.845 20 0 GFADMN CSCc1n[nH]c(CNCc2ccc(I)s2)n1 ZINC000886326355 663108394 /nfs/dbraw/zinc/10/83/94/663108394.db2.gz IATRUGWREKMRDA-UHFFFAOYSA-N 0 1 380.280 2.624 20 0 GFADMN CSCc1nnc(CNCc2ccc(I)s2)[nH]1 ZINC000886326355 663108399 /nfs/dbraw/zinc/10/83/99/663108399.db2.gz IATRUGWREKMRDA-UHFFFAOYSA-N 0 1 380.280 2.624 20 0 GFADMN OCCOCC1(O)CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000886747178 663117038 /nfs/dbraw/zinc/11/70/38/663117038.db2.gz NBFMJLXUVMCGMD-KRWDZBQOSA-N 0 1 384.314 2.662 20 0 GFADMN CC(C)(C)OC(=O)N1CCc2c([nH]n(-c3ccnc(Br)c3)c2=O)C1 ZINC000887289171 663140787 /nfs/dbraw/zinc/14/07/87/663140787.db2.gz PTLQLFFANZJBFM-NSHDSACASA-N 0 1 395.257 2.804 20 0 GFADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nn2c(c1Br)CCC2 ZINC000887712792 663158676 /nfs/dbraw/zinc/15/86/76/663158676.db2.gz XVAQRMHGEHGEGA-CQSZACIVSA-N 0 1 389.297 2.596 20 0 GFADMN C[C@H]1CO[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1 ZINC000887743949 663160025 /nfs/dbraw/zinc/16/00/25/663160025.db2.gz MNCLSHXDRQAHED-WBMJQRKESA-N 0 1 382.302 2.564 20 0 GFADMN CSCc1n[nH]c(CNC(=O)Nc2ccc(N3CCSCC3)cc2)n1 ZINC000887817928 663163480 /nfs/dbraw/zinc/16/34/80/663163480.db2.gz RJIIFXFRFRFGHF-UHFFFAOYSA-N 0 1 378.527 2.543 20 0 GFADMN CSCc1nnc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000887817928 663163481 /nfs/dbraw/zinc/16/34/81/663163481.db2.gz RJIIFXFRFRFGHF-UHFFFAOYSA-N 0 1 378.527 2.543 20 0 GFADMN CCOC(=O)c1[nH]nc(NC(=O)c2cc(Br)cc(OC)c2)c1C ZINC000888135565 663180022 /nfs/dbraw/zinc/18/00/22/663180022.db2.gz RHUIUQWSMHABNW-UHFFFAOYSA-N 0 1 382.214 2.918 20 0 GFADMN O=C(Nc1ccnn1[C@@H]1CCOC1)c1cc(Br)cc2nc[nH]c21 ZINC000888594460 663206735 /nfs/dbraw/zinc/20/67/35/663206735.db2.gz FVCGBWWMVBZWJN-SNVBAGLBSA-N 0 1 376.214 2.736 20 0 GFADMN Cc1ccc2[nH]c(C(=O)N3CCN(C)CCN(C)CC3)cc2c1Br ZINC000888976356 663227763 /nfs/dbraw/zinc/22/77/63/663227763.db2.gz MKQZNLSZDFJOEB-UHFFFAOYSA-N 0 1 393.329 2.558 20 0 GFADMN CC[C@H](Cc1ccccc1Br)C(=O)N1CCN(C)CCN(C)CC1 ZINC000888989763 663228670 /nfs/dbraw/zinc/22/86/70/663228670.db2.gz YKWPAYHXUYYTFK-MRXNPFEDSA-N 0 1 396.373 2.724 20 0 GFADMN Cc1nnc2n1C[C@@H](C(=O)Nc1nc3cc(Br)c(F)cc3[nH]1)CC2 ZINC000889647749 663253552 /nfs/dbraw/zinc/25/35/52/663253552.db2.gz ATGITFRMPLITEG-QMMMGPOBSA-N 0 1 393.220 2.566 20 0 GFADMN O=C(NCc1ncc(Br)cn1)[C@@H]1CCCN1Cc1ccccc1 ZINC000889717772 663259380 /nfs/dbraw/zinc/25/93/80/663259380.db2.gz SDJLBFCAQXFERV-HNNXBMFYSA-N 0 1 375.270 2.520 20 0 GFADMN O=C(NCc1ncc(Br)cn1)[C@H]1CCCN1Cc1ccccc1 ZINC000889717773 663259505 /nfs/dbraw/zinc/25/95/05/663259505.db2.gz SDJLBFCAQXFERV-OAHLLOKOSA-N 0 1 375.270 2.520 20 0 GFADMN CN(CC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCSC1 ZINC000890390139 663298858 /nfs/dbraw/zinc/29/88/58/663298858.db2.gz YRVYAAPQSYWCJR-GFCCVEGCSA-N 0 1 386.543 2.544 20 0 GFADMN NCc1nc2c(s1)CCN(C(=O)NCc1cc(Br)cs1)C2 ZINC000891368588 663337667 /nfs/dbraw/zinc/33/76/67/663337667.db2.gz FJONPPFEXFVVKG-UHFFFAOYSA-N 0 1 387.328 2.694 20 0 GFADMN Cc1nc(CN2CCN(Cc3ncc(Br)cc3O)CC2)cs1 ZINC000891548109 663343439 /nfs/dbraw/zinc/34/34/39/663343439.db2.gz XXPGECFNADRURW-UHFFFAOYSA-N 0 1 383.315 2.632 20 0 GFADMN CO[C@H](CNC(=O)N1CCc2sc(CN)nc2C1)c1cccc(Cl)c1 ZINC000891618152 663345596 /nfs/dbraw/zinc/34/55/96/663345596.db2.gz XVARIVCULJRINL-CQSZACIVSA-N 0 1 380.901 2.711 20 0 GFADMN Brc1cnc(N2CC[C@H](CN3CCOCC3)C2)c2ncccc12 ZINC000892680817 663381100 /nfs/dbraw/zinc/38/11/00/663381100.db2.gz UPMOBMLSOWPMSX-CYBMUJFWSA-N 0 1 377.286 2.551 20 0 GFADMN CCn1cc(CNCCSCCOc2cccc(Br)c2)nn1 ZINC000892975594 663391878 /nfs/dbraw/zinc/39/18/78/663391878.db2.gz OKLNBFDYSOOYDX-UHFFFAOYSA-N 0 1 385.331 2.962 20 0 GFADMN CCOc1ccc(NC(=O)CNCc2ncc(Br)cc2O)cc1 ZINC000893332361 663407562 /nfs/dbraw/zinc/40/75/62/663407562.db2.gz NHGLSDHQHQQJLC-UHFFFAOYSA-N 0 1 380.242 2.677 20 0 GFADMN O=C1OCCN1c1ccc(C[NH2+]Cc2ncc(Br)cc2[O-])cc1 ZINC000893506762 663413336 /nfs/dbraw/zinc/41/33/36/663413336.db2.gz ZCANVGDPDKYHKL-UHFFFAOYSA-N 0 1 378.226 2.796 20 0 GFADMN Brc1cnc(N2CCC[C@@H](CN3CCOCC3)C2)c2ncccc12 ZINC000893699321 663421106 /nfs/dbraw/zinc/42/11/06/663421106.db2.gz JZLKKDHWUBYMHW-AWEZNQCLSA-N 0 1 391.313 2.941 20 0 GFADMN OCCN(Cc1cc(Br)cs1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894022761 663437976 /nfs/dbraw/zinc/43/79/76/663437976.db2.gz CVPGEDRKCYJCIN-KBPBESRZSA-N 0 1 394.306 2.939 20 0 GFADMN Cc1ccnc(-c2n[nH]c([C@H](C)NCc3ncc(Br)cc3O)n2)c1 ZINC000894099877 663442568 /nfs/dbraw/zinc/44/25/68/663442568.db2.gz COZJRFADZWIAFN-JTQLQIEISA-N 0 1 389.257 2.889 20 0 GFADMN CCn1cccc(CNCc2ccc(Br)cc2NC(C)=O)c1=O ZINC000894106553 663442691 /nfs/dbraw/zinc/44/26/91/663442691.db2.gz LZUMLRASEPQNGW-UHFFFAOYSA-N 0 1 378.270 2.879 20 0 GFADMN Cn1ncc(I)c1CNCCCOc1ccccc1F ZINC000894156047 663445879 /nfs/dbraw/zinc/44/58/79/663445879.db2.gz IXBVWAIKKWEUTO-UHFFFAOYSA-N 0 1 389.212 2.723 20 0 GFADMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1sc(N2CCOCC2)nc1Cl ZINC000894163479 663446400 /nfs/dbraw/zinc/44/64/00/663446400.db2.gz XMTFZWDEEMDEBD-LBPRGKRZSA-N 0 1 380.901 2.901 20 0 GFADMN Cc1cc(C[C@H](C)NCc2nc(Br)nn2C)n(-c2ccccc2)n1 ZINC000894360569 663457578 /nfs/dbraw/zinc/45/75/78/663457578.db2.gz ZEXHDHKJKQGXCY-LBPRGKRZSA-N 0 1 389.301 2.793 20 0 GFADMN Cc1cc(C[C@@H](C)NCc2nc(Br)nn2C)n(-c2ccccc2)n1 ZINC000894360568 663457607 /nfs/dbraw/zinc/45/76/07/663457607.db2.gz ZEXHDHKJKQGXCY-GFCCVEGCSA-N 0 1 389.301 2.793 20 0 GFADMN C[C@H](C[C@H](O)c1ccccc1)NCc1cn(C)nc1I ZINC000894366462 663457917 /nfs/dbraw/zinc/45/79/17/663457917.db2.gz GXQZSRWTEJLBKB-RISCZKNCSA-N 0 1 385.249 2.627 20 0 GFADMN CCc1[nH]c(CN[C@@H](CO)c2ccc(Br)cc2)cc1C(=O)OC ZINC000894367368 663458370 /nfs/dbraw/zinc/45/83/70/663458370.db2.gz KKDMNYFKQOHSPO-INIZCTEOSA-N 0 1 381.270 2.949 20 0 GFADMN C[C@](CO)(N[C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(Br)cc1 ZINC000894401336 663459756 /nfs/dbraw/zinc/45/97/56/663459756.db2.gz CSDDPBUPBNXHOA-ARFHVFGLSA-N 0 1 388.277 2.880 20 0 GFADMN CCN(CCNC(=O)NCc1cc(C(F)(F)F)on1)CCC(F)(F)F ZINC000894428878 663461099 /nfs/dbraw/zinc/46/10/99/663461099.db2.gz UPIXRDYGSMXOAU-UHFFFAOYSA-N 0 1 376.301 2.767 20 0 GFADMN COC(=O)c1cnc(CNC[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000894562482 663468656 /nfs/dbraw/zinc/46/86/56/663468656.db2.gz OULXCCNBHZQILT-LBPRGKRZSA-N 0 1 399.310 2.633 20 0 GFADMN COc1ccc(-c2nc(C(=O)NCc3nc(CSC)n[nH]3)cs2)cc1 ZINC000894611831 663472297 /nfs/dbraw/zinc/47/22/97/663472297.db2.gz VUOZQAGUHJDKCS-UHFFFAOYSA-N 0 1 375.479 2.730 20 0 GFADMN COc1ccc(-c2nc(C(=O)NCc3nnc(CSC)[nH]3)cs2)cc1 ZINC000894611831 663472302 /nfs/dbraw/zinc/47/23/02/663472302.db2.gz VUOZQAGUHJDKCS-UHFFFAOYSA-N 0 1 375.479 2.730 20 0 GFADMN CO[C@@H](CNCc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1 ZINC000894875061 663486104 /nfs/dbraw/zinc/48/61/04/663486104.db2.gz ZZZCNISMONIQGA-OAHLLOKOSA-N 0 1 381.929 2.980 20 0 GFADMN CC[C@@H](CNCc1nc(Br)c(Br)n1CC)C(=O)OC ZINC000895136425 663500679 /nfs/dbraw/zinc/50/06/79/663500679.db2.gz UZJSGALMHSRBCQ-QMMMGPOBSA-N 0 1 397.111 2.717 20 0 GFADMN C[C@H](NCc1nc(-c2cccc(Br)c2)c[nH]1)C1N=NC(=O)N1C ZINC000895180893 663501992 /nfs/dbraw/zinc/50/19/92/663501992.db2.gz OLNUOYNOWFXKDC-VIFPVBQESA-N 0 1 377.246 2.524 20 0 GFADMN C[C@H](CNCc1sc(N2CCOCC2)nc1Cl)C(=O)OC(C)(C)C ZINC000895188638 663502204 /nfs/dbraw/zinc/50/22/04/663502204.db2.gz POLIIVVHPROVGQ-LLVKDONJSA-N 0 1 375.922 2.701 20 0 GFADMN CCOC(=O)c1n[nH]c([C@H](C)NCc2cc(Br)c(OC)s2)n1 ZINC000895234345 663504341 /nfs/dbraw/zinc/50/43/41/663504341.db2.gz UKJYFGPUZRXMLS-ZETCQYMHSA-N 0 1 389.275 2.665 20 0 GFADMN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC000895316539 663507944 /nfs/dbraw/zinc/50/79/44/663507944.db2.gz PHYPRDIMLQBAIH-GFCCVEGCSA-N 0 1 379.258 2.911 20 0 GFADMN CCCCc1nnc(NC(=O)c2c(C)n[nH]c2I)s1 ZINC000895592976 663520075 /nfs/dbraw/zinc/52/00/75/663520075.db2.gz WLJXBHOKBBRTOG-UHFFFAOYSA-N 0 1 391.238 2.769 20 0 GFADMN O=S1(=O)CCC[C@H](NCc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000895804179 663528044 /nfs/dbraw/zinc/52/80/44/663528044.db2.gz IMANDLANJDNTMR-AWEZNQCLSA-N 0 1 398.326 2.692 20 0 GFADMN COc1ccc(F)cc1CCNCc1cn(C)nc1I ZINC000895805667 663528267 /nfs/dbraw/zinc/52/82/67/663528267.db2.gz YBTHDDYWESHOCB-UHFFFAOYSA-N 0 1 389.212 2.505 20 0 GFADMN FC(F)(F)[C@@H]1CC[C@@H](CNCc2sc(N3CCOCC3)nc2Cl)O1 ZINC000896280630 663548882 /nfs/dbraw/zinc/54/88/82/663548882.db2.gz PAXVKWVRGXACEM-ONGXEEELSA-N 0 1 385.839 2.833 20 0 GFADMN C[C@@H](NC(=O)c1ccc2ccc(Br)cc2c1)[C@H]1CN(C)CCN1C ZINC000896525962 663560424 /nfs/dbraw/zinc/56/04/24/663560424.db2.gz CJLCNWWTOUHKMG-FZKQIMNGSA-N 0 1 390.325 2.966 20 0 GFADMN CSc1cc(Br)ccc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896532769 663561359 /nfs/dbraw/zinc/56/13/59/663561359.db2.gz MCRGEWJPSKYCQA-FZMZJTMJSA-N 0 1 386.359 2.535 20 0 GFADMN C[C@H](CC(=O)N[C@H](C)[C@H]1CN(C)CCN1C)c1ccc(Br)cc1 ZINC000896551268 663563455 /nfs/dbraw/zinc/56/34/55/663563455.db2.gz DQTIBAKIAJIYRJ-CKEIUWERSA-N 0 1 382.346 2.693 20 0 GFADMN C[C@H]1CCN(C(=O)c2cn(C)nc2Br)CCN1Cc1ccccc1 ZINC000896758628 663574792 /nfs/dbraw/zinc/57/47/92/663574792.db2.gz NXOIZPIUPZGJPX-AWEZNQCLSA-N 0 1 391.313 2.919 20 0 GFADMN CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc([O-])c2Br)CCOCC1 ZINC000897741793 663618250 /nfs/dbraw/zinc/61/82/50/663618250.db2.gz VJCOSYCGERCXTB-GFCCVEGCSA-N 0 1 386.286 2.993 20 0 GFADMN COc1cc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)cc(OC)c1 ZINC000897977480 663628021 /nfs/dbraw/zinc/62/80/21/663628021.db2.gz IBOAOJZZZBNRLB-OAHLLOKOSA-N 0 1 392.253 2.514 20 0 GFADMN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cncc(Br)c1C ZINC000897987001 663629174 /nfs/dbraw/zinc/62/91/74/663629174.db2.gz MUAAKLRHKSSPBJ-CYBMUJFWSA-N 0 1 379.258 2.760 20 0 GFADMN COc1nn(C)cc1CNCc1cc(C)c(I)cc1C ZINC000898022488 663630393 /nfs/dbraw/zinc/63/03/93/663630393.db2.gz GZIVVSDFVLLSDJ-UHFFFAOYSA-N 0 1 385.249 2.940 20 0 GFADMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CCCC(C)(C)O1 ZINC000898049956 663631304 /nfs/dbraw/zinc/63/13/04/663631304.db2.gz NZQYJDGBDXOXNN-KBPBESRZSA-N 0 1 389.949 2.642 20 0 GFADMN Fc1ccc(CN[C@H]2CCOC23CCOCC3)c(I)c1 ZINC000898114555 663634331 /nfs/dbraw/zinc/63/43/31/663634331.db2.gz DWNBVQBWPIPDIH-AWEZNQCLSA-N 0 1 391.224 2.858 20 0 GFADMN Cn1ncc2cc(CN[C@](C)(CO)c3cccc(Br)c3)cnc21 ZINC000898168748 663636895 /nfs/dbraw/zinc/63/68/95/663636895.db2.gz OUDHASOSPROMAI-QGZVFWFLSA-N 0 1 375.270 2.728 20 0 GFADMN C[C@](CO)(NCc1ccc2c(c1)NC(=O)CO2)c1cccc(Br)c1 ZINC000898169035 663637012 /nfs/dbraw/zinc/63/70/12/663637012.db2.gz XYPVSGXUYFCTAO-GOSISDBHSA-N 0 1 391.265 2.777 20 0 GFADMN CC(C)c1nc(CC2CCN(C(=O)c3cn(C)nc3Br)CC2)n[nH]1 ZINC000898258586 663640944 /nfs/dbraw/zinc/64/09/44/663640944.db2.gz QTVSOGMXRWLANR-UHFFFAOYSA-N 0 1 395.305 2.519 20 0 GFADMN CC(C)c1nnc(CC2CCN(C(=O)c3cn(C)nc3Br)CC2)[nH]1 ZINC000898258586 663640945 /nfs/dbraw/zinc/64/09/45/663640945.db2.gz QTVSOGMXRWLANR-UHFFFAOYSA-N 0 1 395.305 2.519 20 0 GFADMN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1n[nH]c(C)n1 ZINC000898367571 663644924 /nfs/dbraw/zinc/64/49/24/663644924.db2.gz FLTZHBGGNMWFMN-ZDUSSCGKSA-N 0 1 394.273 2.931 20 0 GFADMN O=C(NCCN1CCC(O)CC1)NCc1ccccc1SC(F)(F)F ZINC000898972041 663670879 /nfs/dbraw/zinc/67/08/79/663670879.db2.gz FNWXZBUSLLJVRJ-UHFFFAOYSA-N 0 1 377.432 2.554 20 0 GFADMN O=C(c1cnn(-c2cccc(Br)c2)c1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899101819 663675944 /nfs/dbraw/zinc/67/59/44/663675944.db2.gz FJQLPAMYAGHJOI-AWEZNQCLSA-N 0 1 387.241 2.730 20 0 GFADMN O=C(Nc1nc2cccc(Br)c2[nH]1)C1(C(=O)NC2CC2)CCC1 ZINC000899818742 663701130 /nfs/dbraw/zinc/70/11/30/663701130.db2.gz RTNHQFBHBCDFDD-UHFFFAOYSA-N 0 1 377.242 2.713 20 0 GFADMN COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000900459365 663714867 /nfs/dbraw/zinc/71/48/67/663714867.db2.gz YYPYKGPDCYDSHU-ZBEGNZNMSA-N 0 1 399.285 2.561 20 0 GFADMN O=C(CNC(=O)N1CCCC1)Nc1cc(Br)cc(Cl)c1O ZINC000901251302 663732945 /nfs/dbraw/zinc/73/29/45/663732945.db2.gz KWSLLUYWIILOFM-UHFFFAOYSA-N 0 1 376.638 2.552 20 0 GFADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000901542081 663737496 /nfs/dbraw/zinc/73/74/96/663737496.db2.gz MYXGCTNLZPRDED-QGZVFWFLSA-N 0 1 394.269 2.619 20 0 GFADMN CCc1noc([C@@H]2CC[C@@H](N[C@@H](C(N)=O)c3ccc(Br)cc3)C2)n1 ZINC000901617738 663739724 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GFADMN CC(C)n1ccc(C[C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475434250 564308481 /nfs/dbraw/zinc/30/84/81/564308481.db2.gz MMSKGHZLOUKXOH-WBMJQRKESA-N 0 1 379.302 2.974 20 0 GFADMN COc1cccc(C[C@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438218 564308811 /nfs/dbraw/zinc/30/88/11/564308811.db2.gz FSALZGZOLFGONE-ZBEGNZNMSA-N 0 1 378.270 2.600 20 0 GFADMN COc1ccc(Br)c([C@H](CO)N(C)Cc2n[nH]c(C3CC3)n2)c1 ZINC000451449916 564313979 /nfs/dbraw/zinc/31/39/79/564313979.db2.gz AFSXTJMFVXVLFT-AWEZNQCLSA-N 0 1 381.274 2.619 20 0 GFADMN CN[C@H](C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1)c1cnn(C)c1 ZINC000566196658 564315962 /nfs/dbraw/zinc/31/59/62/564315962.db2.gz UNMILCGUMWVEEO-ZBEGNZNMSA-N 0 1 385.295 2.913 20 0 GFADMN O=C(NCCc1cscn1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000542490578 564316468 /nfs/dbraw/zinc/31/64/68/564316468.db2.gz LXPXRDVOLARILO-UHFFFAOYSA-N 0 1 378.251 2.720 20 0 GFADMN CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000451473019 564317071 /nfs/dbraw/zinc/31/70/71/564317071.db2.gz VIGNSYZKIORXQY-RYUDHWBXSA-N 0 1 383.436 2.610 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC000510026460 564322424 /nfs/dbraw/zinc/32/24/24/564322424.db2.gz ARXDNSXLYVSVQO-UHFFFAOYSA-N 0 1 392.209 2.763 20 0 GFADMN CCS(=O)(=O)NCCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451561324 564325400 /nfs/dbraw/zinc/32/54/00/564325400.db2.gz BNCOWWRMEJQOGY-AWEZNQCLSA-N 0 1 375.332 2.568 20 0 GFADMN CCS(=O)(=O)NCCCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451561324 564325404 /nfs/dbraw/zinc/32/54/04/564325404.db2.gz BNCOWWRMEJQOGY-AWEZNQCLSA-N 0 1 375.332 2.568 20 0 GFADMN Cc1cnn([C@H]2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3O)C2)c1 ZINC000451564262 564325562 /nfs/dbraw/zinc/32/55/62/564325562.db2.gz ILAKDTAWWJRPPI-LBPRGKRZSA-N 0 1 375.372 2.552 20 0 GFADMN O=C(Nc1ccncc1Br)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000542812196 564327987 /nfs/dbraw/zinc/32/79/87/564327987.db2.gz RLHMPBPBAIFLFA-NSHDSACASA-N 0 1 391.273 2.673 20 0 GFADMN COc1cc(Br)ccc1CCC(=O)NCCN1CCSCC1 ZINC000543012289 564335573 /nfs/dbraw/zinc/33/55/73/564335573.db2.gz XHNCAOCNTJVGPT-UHFFFAOYSA-N 0 1 387.343 2.555 20 0 GFADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cccc(Br)c1F ZINC000510486420 564335681 /nfs/dbraw/zinc/33/56/81/564335681.db2.gz ZKNDAKLFHOGRLP-NEPJUHHUSA-N 0 1 391.306 2.836 20 0 GFADMN Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(Br)c1 ZINC000566674386 564338315 /nfs/dbraw/zinc/33/83/15/564338315.db2.gz MKJOVNVODGCLQU-VXGBXAGGSA-N 0 1 379.258 2.659 20 0 GFADMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(OCC(F)(F)F)nc1 ZINC000476482579 564341654 /nfs/dbraw/zinc/34/16/54/564341654.db2.gz CZQATWXMQDTDIC-UHFFFAOYSA-N 0 1 376.312 2.552 20 0 GFADMN CC[N@H+]1CC[C@H](CNC(=O)N=c2nc(SCc3ccccc3)[n-]s2)C1 ZINC000476484330 564341686 /nfs/dbraw/zinc/34/16/86/564341686.db2.gz BZDKFMDOQLSFFZ-CQSZACIVSA-N 0 1 377.539 2.716 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Br)cc3)C2)n1 ZINC000566901199 564349153 /nfs/dbraw/zinc/34/91/53/564349153.db2.gz DTFJLPJVFZDXEM-BXUZGUMPSA-N 0 1 392.301 2.542 20 0 GFADMN Cc1nnc([C@@H]2CCN(CC(=O)N[C@H](C)c3ccc(Br)cc3)C2)[nH]1 ZINC000566901199 564349155 /nfs/dbraw/zinc/34/91/55/564349155.db2.gz DTFJLPJVFZDXEM-BXUZGUMPSA-N 0 1 392.301 2.542 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n[nH]1 ZINC000511050648 564354458 /nfs/dbraw/zinc/35/44/58/564354458.db2.gz HXKHDGUVCKBQKU-SNVBAGLBSA-N 0 1 384.889 2.985 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)C[C@@H]21 ZINC000451878167 564361459 /nfs/dbraw/zinc/36/14/59/564361459.db2.gz LRHLTNKDBUZWBT-ZBFHGGJFSA-N 0 1 384.929 2.844 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(Br)cc2OC)C1 ZINC000543780505 564363157 /nfs/dbraw/zinc/36/31/57/564363157.db2.gz BHJXRWOTSQEKLT-ZFWWWQNUSA-N 0 1 399.329 2.821 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@H]1N1CCCC1 ZINC000477134435 564366467 /nfs/dbraw/zinc/36/64/67/564366467.db2.gz GRCRUXBMLIEHAZ-ZIAGYGMSSA-N 0 1 378.922 2.679 20 0 GFADMN COc1cccc(C(F)(F)CNS(=O)(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000511363560 564370276 /nfs/dbraw/zinc/37/02/76/564370276.db2.gz AINJIKGYAXEFHO-UHFFFAOYSA-N 0 1 382.310 2.578 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000544022889 564371346 /nfs/dbraw/zinc/37/13/46/564371346.db2.gz GIWOXCYXUFWQCJ-DZGCQCFKSA-N 0 1 387.307 2.941 20 0 GFADMN CO[C@@H]([C@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CC1 ZINC000451992327 564377653 /nfs/dbraw/zinc/37/76/53/564377653.db2.gz ODOGSLUYGMZVFC-CPFSXVBKSA-N 0 1 384.242 2.819 20 0 GFADMN CC(C)(C)OC(=O)CCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000567689483 564383583 /nfs/dbraw/zinc/38/35/83/564383583.db2.gz KVLWWWZLNDVFHK-UHFFFAOYSA-N 0 1 392.315 2.544 20 0 GFADMN Cc1ccc(C[C@@H](CO)NCc2ncc(I)s2)cc1 ZINC000511958925 564387091 /nfs/dbraw/zinc/38/70/91/564387091.db2.gz WHNDPXKTLHOECA-LBPRGKRZSA-N 0 1 388.274 2.749 20 0 GFADMN CCCN(CC1CC1)S(=O)(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452092450 564390748 /nfs/dbraw/zinc/39/07/48/564390748.db2.gz DQWHPVVDFXPGIQ-UHFFFAOYSA-N 0 1 385.496 2.702 20 0 GFADMN CN[C@H](C(=O)N1CCC(c2ccccc2Br)CC1)c1cnn(C)c1 ZINC000567825638 564390836 /nfs/dbraw/zinc/39/08/36/564390836.db2.gz WJEFXJUDHNLPHM-KRWDZBQOSA-N 0 1 391.313 2.849 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000452103589 564393109 /nfs/dbraw/zinc/39/31/09/564393109.db2.gz KWXFOPAJNAWAFQ-ZDUSSCGKSA-N 0 1 375.332 2.861 20 0 GFADMN C[C@@H]1CN(CCO)CCN1Cc1cccc(Br)c1OC(F)F ZINC000452118220 564394965 /nfs/dbraw/zinc/39/49/65/564394965.db2.gz DUEGLPBRYWCMBW-LLVKDONJSA-N 0 1 379.245 2.549 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)o2)C(=O)N1c1ccccc1 ZINC000544724594 564396470 /nfs/dbraw/zinc/39/64/70/564396470.db2.gz WJCNWJWIFMVYEP-JQWIXIFHSA-N 0 1 399.266 2.514 20 0 GFADMN O=C(CSc1cccc(Br)c1)N[C@H](CO)CN1CCCCC1 ZINC000512359354 564398641 /nfs/dbraw/zinc/39/86/41/564398641.db2.gz FNCNXRQDTZKPLO-AWEZNQCLSA-N 0 1 387.343 2.504 20 0 GFADMN COCCN1CCCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000478559720 564407426 /nfs/dbraw/zinc/40/74/26/564407426.db2.gz DMZGGFRTTJWSGB-UHFFFAOYSA-N 0 1 383.330 2.907 20 0 GFADMN O=C(CSc1cccc(C(F)(F)F)c1)NC[C@H]1CCCCN1CCO ZINC000452374491 564410112 /nfs/dbraw/zinc/41/01/12/564410112.db2.gz KFKULBJVKIJROT-CQSZACIVSA-N 0 1 376.444 2.761 20 0 GFADMN Cc1ccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)c(Br)c1 ZINC000513011981 564417690 /nfs/dbraw/zinc/41/76/90/564417690.db2.gz LAKMRWBLEIPXQQ-AWEZNQCLSA-N 0 1 375.332 2.661 20 0 GFADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1ccccc1N(C)C ZINC000513016335 564418108 /nfs/dbraw/zinc/41/81/08/564418108.db2.gz HRZADMGLLFXDSF-UHFFFAOYSA-N 0 1 381.929 2.783 20 0 GFADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478967210 564420769 /nfs/dbraw/zinc/42/07/69/564420769.db2.gz URXYTCSOKFPZIP-MLGOLLRUSA-N 0 1 381.263 2.861 20 0 GFADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3csc(S(C)(=O)=O)c3)cccc21 ZINC000568595092 564425924 /nfs/dbraw/zinc/42/59/24/564425924.db2.gz QOQHRFTZYCHKPG-CQSZACIVSA-N 0 1 380.491 2.789 20 0 GFADMN CCO[C@@H]1C[C@@H](NCc2cc(O)c(OC)cc2Br)[C@]12CCCO2 ZINC000545550196 564427477 /nfs/dbraw/zinc/42/74/77/564427477.db2.gz VCFDCGRHUNMMQI-BRWVUGGUSA-N 0 1 386.286 2.980 20 0 GFADMN C[C@H](C(=O)NCC(=O)Nc1cccc(Br)c1)N1CCCCCC1 ZINC000479336689 564436557 /nfs/dbraw/zinc/43/65/57/564436557.db2.gz AUANKWZCGLHDRE-CYBMUJFWSA-N 0 1 382.302 2.768 20 0 GFADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1OC ZINC000479483928 564441651 /nfs/dbraw/zinc/44/16/51/564441651.db2.gz ZEGLTJJFTUYVIS-UHFFFAOYSA-N 0 1 386.857 2.960 20 0 GFADMN Cc1cc(Br)cn2cc(CCNC(=O)c3ccc4[nH]nnc4c3)nc12 ZINC000546112381 564444819 /nfs/dbraw/zinc/44/48/19/564444819.db2.gz PFLLTZULSWGBCP-UHFFFAOYSA-N 0 1 399.252 2.649 20 0 GFADMN COc1ccc2c(c1)C[C@H](NCC(=O)Nc1cccc(Br)c1)CO2 ZINC000453192638 564449556 /nfs/dbraw/zinc/44/95/56/564449556.db2.gz CEXSPCRIKFWDQQ-HNNXBMFYSA-N 0 1 391.265 2.990 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@H]1c1ncon1 ZINC000569116439 564449778 /nfs/dbraw/zinc/44/97/78/564449778.db2.gz DVKYERBLUZAFFG-ZDUSSCGKSA-N 0 1 389.209 2.651 20 0 GFADMN CC1=CCN(CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000546567200 564459155 /nfs/dbraw/zinc/45/91/55/564459155.db2.gz WORACDQNRSHALC-UHFFFAOYSA-N 0 1 396.285 2.629 20 0 GFADMN C[C@@H](Cn1ccnc1)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228117 564465173 /nfs/dbraw/zinc/46/51/73/564465173.db2.gz RLMMFOFDBGIMBO-SMDDNHRTSA-N 0 1 384.299 2.542 20 0 GFADMN Cc1cccc(CCNS(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000480434135 564473577 /nfs/dbraw/zinc/47/35/77/564473577.db2.gz GLOADLKMTMWUKV-UHFFFAOYSA-N 0 1 391.237 2.952 20 0 GFADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1cncc(Br)c1 ZINC000569868215 564482081 /nfs/dbraw/zinc/48/20/81/564482081.db2.gz UOZLIBKKMQNRQK-ZDUSSCGKSA-N 0 1 398.326 2.614 20 0 GFADMN Cc1cccc(CN2CCN(c3ncc(I)cn3)CC2)c1 ZINC000547328034 564484517 /nfs/dbraw/zinc/48/45/17/564484517.db2.gz MLQJXBCVJPNOSK-UHFFFAOYSA-N 0 1 394.260 2.712 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N(CCN(C)C)C(C)C ZINC000480735638 564484867 /nfs/dbraw/zinc/48/48/67/564484867.db2.gz LHVQSEJDFGNVLP-UHFFFAOYSA-N 0 1 381.311 2.857 20 0 GFADMN CCn1nccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000547438463 564487828 /nfs/dbraw/zinc/48/78/28/564487828.db2.gz VTXLBSKFDBVDRE-CQSZACIVSA-N 0 1 379.873 2.959 20 0 GFADMN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)n1 ZINC000515909556 564489281 /nfs/dbraw/zinc/48/92/81/564489281.db2.gz YJQKLIUCFSZTPN-NSHDSACASA-N 0 1 377.491 2.902 20 0 GFADMN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)n1 ZINC000515909555 564489518 /nfs/dbraw/zinc/48/95/18/564489518.db2.gz YJQKLIUCFSZTPN-LLVKDONJSA-N 0 1 377.491 2.902 20 0 GFADMN CCOC(=O)c1cc(NC(=O)CCc2ccc(C)cc2Br)n[nH]1 ZINC000547483679 564491005 /nfs/dbraw/zinc/49/10/05/564491005.db2.gz KREOXFBXMFLYBZ-UHFFFAOYSA-N 0 1 380.242 3.229 20 0 GFADMN CN(C)C(=O)N1CCN(Cc2nc3ccc(Br)cc3[nH]2)C(C)(C)C1 ZINC000480870805 564492214 /nfs/dbraw/zinc/49/22/14/564492214.db2.gz RJSHBPCMMFYYKU-UHFFFAOYSA-N 0 1 394.317 2.903 20 0 GFADMN O=C(c1cccc2c[nH]nc21)N1CCN(c2ccc(Br)cn2)CC1 ZINC000516360293 564500823 /nfs/dbraw/zinc/50/08/23/564500823.db2.gz OIRWZGMYVYITBY-UHFFFAOYSA-N 0 1 386.253 2.683 20 0 GFADMN C[C@H]1CCN(CCNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000516393273 564501299 /nfs/dbraw/zinc/50/12/99/564501299.db2.gz SOQWZAHPGXDMPZ-ZDUSSCGKSA-N 0 1 379.298 2.508 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000481057898 564501771 /nfs/dbraw/zinc/50/17/71/564501771.db2.gz KHVVHVFQXQPCRO-MNOVXSKESA-N 0 1 379.295 2.658 20 0 GFADMN C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653938 564505908 /nfs/dbraw/zinc/50/59/08/564505908.db2.gz HFNZIUMMYPZPLM-ZMLRMANQSA-N 0 1 379.295 2.990 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000570480359 564507388 /nfs/dbraw/zinc/50/73/88/564507388.db2.gz ZMDDMXLBHVWGIL-RDJZCZTQSA-N 0 1 379.551 2.749 20 0 GFADMN COC(=O)c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1Br ZINC000547703000 564507907 /nfs/dbraw/zinc/50/79/07/564507907.db2.gz RJZIAUFBQYISFS-UHFFFAOYSA-N 0 1 389.202 2.571 20 0 GFADMN Cc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1C(F)(F)F ZINC000481333959 564510284 /nfs/dbraw/zinc/51/02/84/564510284.db2.gz CGYFIRCKMKKYQM-CQSZACIVSA-N 0 1 382.473 2.729 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c(Cl)c1Cl ZINC000481391870 564512037 /nfs/dbraw/zinc/51/20/37/564512037.db2.gz RFGWXIDSPIHEGK-CQSZACIVSA-N 0 1 399.365 2.718 20 0 GFADMN CCc1nc([C@@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n[nH]1 ZINC000547826170 564512449 /nfs/dbraw/zinc/51/24/49/564512449.db2.gz QGHCQODQUJITON-BXKDBHETSA-N 0 1 399.314 2.699 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)ccc1O ZINC000570597440 564513582 /nfs/dbraw/zinc/51/35/82/564513582.db2.gz VFFCBYRMVXZSPM-STQMWFEESA-N 0 1 380.853 2.696 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCN[C@H]1CCc2c1ccc(F)c2Br ZINC000570666352 564516439 /nfs/dbraw/zinc/51/64/39/564516439.db2.gz QBBFDTFLYCNBSG-ZDUSSCGKSA-N 0 1 393.322 2.883 20 0 GFADMN CN(C(=O)Nc1nnc(C(F)F)s1)C1CCN(CCC(F)(F)F)CC1 ZINC000454595047 564516493 /nfs/dbraw/zinc/51/64/93/564516493.db2.gz QHLBGPXURXFUIK-UHFFFAOYSA-N 0 1 387.378 3.356 20 0 GFADMN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Br)c(C)n1)OCO2 ZINC000481812184 564524780 /nfs/dbraw/zinc/52/47/80/564524780.db2.gz DGOBOJOETSEVRC-UHFFFAOYSA-N 0 1 385.239 2.990 20 0 GFADMN COC[C@@H](NCCNS(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000570889069 564526026 /nfs/dbraw/zinc/52/60/26/564526026.db2.gz HDLDRNHUFBCGTQ-GOSISDBHSA-N 0 1 382.913 2.904 20 0 GFADMN CC[C@H](NCc1ccc(OC)nc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481915538 564528069 /nfs/dbraw/zinc/52/80/69/564528069.db2.gz LWFKJBHURNHWAL-HNNXBMFYSA-N 0 1 383.901 2.893 20 0 GFADMN O=S1(=O)C[C@H](CN[C@@H]2CSCCc3ccccc32)Oc2ccccc21 ZINC000570964680 564529844 /nfs/dbraw/zinc/52/98/44/564529844.db2.gz WYDXTKSRUDXRBO-DOTOQJQBSA-N 0 1 375.515 2.842 20 0 GFADMN CCNC(=O)c1cccc(CNC(=O)c2cccc(Br)c2O)c1 ZINC000517348025 564532137 /nfs/dbraw/zinc/53/21/37/564532137.db2.gz ISXBEQPANMZSDV-UHFFFAOYSA-N 0 1 377.238 2.834 20 0 GFADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000482220923 564538475 /nfs/dbraw/zinc/53/84/75/564538475.db2.gz DGYGCQIMGXGMKT-JTQLQIEISA-N 0 1 396.264 2.866 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)cc1 ZINC000571318596 564546001 /nfs/dbraw/zinc/54/60/01/564546001.db2.gz VJDIRAXQPGYANL-UHFFFAOYSA-N 0 1 382.825 2.870 20 0 GFADMN COC(=O)c1cccc(NC(=O)NCc2n[nH]c(C3CC3)n2)c1Br ZINC000455263615 564545999 /nfs/dbraw/zinc/54/59/99/564545999.db2.gz BFOWNFSNHDDFFM-UHFFFAOYSA-N 0 1 394.229 2.553 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CC[C@@H](O)CC12CCC2 ZINC000518163213 564546965 /nfs/dbraw/zinc/54/69/65/564546965.db2.gz HHGURMZDZIBHKF-LLVKDONJSA-N 0 1 393.285 2.914 20 0 GFADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c1 ZINC000571514603 564554223 /nfs/dbraw/zinc/55/42/23/564554223.db2.gz MEPPTDZHMGYIHZ-UHFFFAOYSA-N 0 1 378.841 2.868 20 0 GFADMN C[C@H]1COCCN1CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000518452862 564554340 /nfs/dbraw/zinc/55/43/40/564554340.db2.gz SRFUWKVFIZIZKQ-ZDUSSCGKSA-N 0 1 379.302 2.650 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455680861 564564243 /nfs/dbraw/zinc/56/42/43/564564243.db2.gz DXQWFDVUPBCUJE-SNVBAGLBSA-N 0 1 380.436 2.557 20 0 GFADMN CC(C)(C)c1nc(C[S@@](=O)Cc2cn3cc(Br)ccc3n2)n[nH]1 ZINC000571739197 564564662 /nfs/dbraw/zinc/56/46/62/564564662.db2.gz ZKSNZOLGJBIZGH-QHCPKHFHSA-N 0 1 396.314 2.961 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455705369 564565300 /nfs/dbraw/zinc/56/53/00/564565300.db2.gz SYJLKCDQOBKCOX-LBPRGKRZSA-N 0 1 380.436 2.726 20 0 GFADMN COC(=O)c1cccc(NC(=O)N[C@H](C)c2n[nH]c(C)n2)c1Br ZINC000483553995 564570138 /nfs/dbraw/zinc/57/01/38/564570138.db2.gz XXEOAFBVWIQAAD-SSDOTTSWSA-N 0 1 382.218 2.545 20 0 GFADMN Cc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000548867327 564578476 /nfs/dbraw/zinc/57/84/76/564578476.db2.gz BEUCNMSFSDHBBE-UHFFFAOYSA-N 0 1 377.535 2.782 20 0 GFADMN CC(C)[C@@](C)(CO)NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000519570146 564581451 /nfs/dbraw/zinc/58/14/51/564581451.db2.gz ASVAUMQTYBEFEL-CQSZACIVSA-N 0 1 377.798 2.831 20 0 GFADMN CN(CC(=O)N1CCOc2ccc(Br)cc2C1)[C@H]1CCSC1 ZINC000549188331 564588232 /nfs/dbraw/zinc/58/82/32/564588232.db2.gz LHODVGBHRACRCW-AWEZNQCLSA-N 0 1 385.327 2.607 20 0 GFADMN CC(=O)Nc1ncc(S(=O)(=O)N[C@H](c2cc(F)ccc2F)C(F)F)s1 ZINC000572311924 564589774 /nfs/dbraw/zinc/58/97/74/564589774.db2.gz PVDNGULFBCQATR-LLVKDONJSA-N 0 1 397.375 2.664 20 0 GFADMN Cn1cc(S(=O)(=O)NCc2ccccc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000549350829 564592877 /nfs/dbraw/zinc/59/28/77/564592877.db2.gz MKXNZBZVPWADMN-UHFFFAOYSA-N 0 1 387.305 2.936 20 0 GFADMN Cc1nc2cccc(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)c2[nH]1 ZINC000549417719 564594931 /nfs/dbraw/zinc/59/49/31/564594931.db2.gz CAEIEFNKLXQKAF-UHFFFAOYSA-N 0 1 377.853 2.728 20 0 GFADMN CC[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)[C@H](C)O ZINC000456209886 564595710 /nfs/dbraw/zinc/59/57/10/564595710.db2.gz IOZKTFWOBCQQNP-GXTWGEPZSA-N 0 1 382.507 2.747 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc(Br)c1F ZINC000572495650 564597352 /nfs/dbraw/zinc/59/73/52/564597352.db2.gz WYRMWOXQOZHSBU-QMMMGPOBSA-N 0 1 384.205 2.915 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Br)cc2)nc1 ZINC000549656105 564601552 /nfs/dbraw/zinc/60/15/52/564601552.db2.gz GURSBHDYHNWTFK-UHFFFAOYSA-N 0 1 385.239 2.573 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1c[nH]cn1 ZINC000456377180 564603353 /nfs/dbraw/zinc/60/33/53/564603353.db2.gz SWORWBMDNISKMJ-NSHDSACASA-N 0 1 378.274 2.565 20 0 GFADMN CCc1cc(C(=O)N(CCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000572904279 564615543 /nfs/dbraw/zinc/61/55/43/564615543.db2.gz VZAISEWSMMTFHF-MRXNPFEDSA-N 0 1 386.583 2.590 20 0 GFADMN O=C1CCC(=O)N1CCN1CCCC[C@H]1Cc1ccccc1Br ZINC000550158242 564616412 /nfs/dbraw/zinc/61/64/12/564616412.db2.gz PHRXINIPTSVLJN-HNNXBMFYSA-N 0 1 379.298 2.995 20 0 GFADMN O=C(NCc1cc(Br)c2c(c1)OCCO2)c1ccc2cncn2c1 ZINC000550215368 564616969 /nfs/dbraw/zinc/61/69/69/564616969.db2.gz WRSKNQRXHZYPQV-UHFFFAOYSA-N 0 1 388.221 2.798 20 0 GFADMN O=C(N1CCC(c2n[nH]c(=O)o2)CC1)C1(c2cccc(Br)c2)CC1 ZINC000573109426 564623726 /nfs/dbraw/zinc/62/37/26/564623726.db2.gz HJCYBYDJBADZNV-UHFFFAOYSA-N 0 1 392.253 2.976 20 0 GFADMN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000456726969 564630257 /nfs/dbraw/zinc/63/02/57/564630257.db2.gz RJXDWRRINKVCPA-KDOFPFPSSA-N 0 1 395.341 2.652 20 0 GFADMN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cccc(F)c1Br ZINC000550760906 564630888 /nfs/dbraw/zinc/63/08/88/564630888.db2.gz DKIMVXOJPKEMMK-UHFFFAOYSA-N 0 1 393.216 2.883 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)c2cc(C)sc2Br)CC1 ZINC000456904755 564638722 /nfs/dbraw/zinc/63/87/22/564638722.db2.gz SKMRNNAAQIABCF-UHFFFAOYSA-N 0 1 388.375 2.965 20 0 GFADMN COc1cc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc(OC)c1Br ZINC000522043014 564642633 /nfs/dbraw/zinc/64/26/33/564642633.db2.gz DTWVMAAYJMVHPD-ZDUSSCGKSA-N 0 1 383.286 2.633 20 0 GFADMN Cc1c(C(=O)NCc2nc3cccc(Br)c3[nH]2)nn2c1OCCC2 ZINC000457019076 564643404 /nfs/dbraw/zinc/64/34/04/564643404.db2.gz BRIKPMFQRYUFNH-UHFFFAOYSA-N 0 1 390.241 2.543 20 0 GFADMN O=C(CNC(=O)C1CCCCC1)NCc1nc2cccc(Br)c2[nH]1 ZINC000457033491 564643988 /nfs/dbraw/zinc/64/39/88/564643988.db2.gz KGCLKFSJJHXRED-UHFFFAOYSA-N 0 1 393.285 2.638 20 0 GFADMN Cc1nccnc1CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000551275213 564644789 /nfs/dbraw/zinc/64/47/89/564644789.db2.gz QTZGAASWBCGNNG-OAHLLOKOSA-N 0 1 396.310 2.598 20 0 GFADMN CC(C)N1CC[C@H](N(C)C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000457094056 564646399 /nfs/dbraw/zinc/64/63/99/564646399.db2.gz OOQLHBIGXNZJCF-INIZCTEOSA-N 0 1 386.945 2.835 20 0 GFADMN C[C@@H]1NCCN(S(=O)(=O)c2ccc3ccccc3c2Br)[C@H]1C ZINC000573684462 564649839 /nfs/dbraw/zinc/64/98/39/564649839.db2.gz WZUMERAKUMSTHB-RYUDHWBXSA-N 0 1 383.311 2.973 20 0 GFADMN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]1CCCC[C@H]1O ZINC000573729377 564651443 /nfs/dbraw/zinc/65/14/43/564651443.db2.gz FXEQWOHDINPGHK-DZGCQCFKSA-N 0 1 389.359 3.000 20 0 GFADMN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2O)C1 ZINC000522564588 564652879 /nfs/dbraw/zinc/65/28/79/564652879.db2.gz DGYKPNICNBJYKF-NWDGAFQWSA-N 0 1 383.286 2.968 20 0 GFADMN CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000486480041 564654317 /nfs/dbraw/zinc/65/43/17/564654317.db2.gz PJEREMSFWNACGJ-LLVKDONJSA-N 0 1 378.270 2.869 20 0 GFADMN CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000486480041 564654320 /nfs/dbraw/zinc/65/43/20/564654320.db2.gz PJEREMSFWNACGJ-LLVKDONJSA-N 0 1 378.270 2.869 20 0 GFADMN CC(=O)NCCN(Cc1cc2c(cc1Cl)OCCO2)C1CCSCC1 ZINC000573879056 564657905 /nfs/dbraw/zinc/65/79/05/564657905.db2.gz PFDMNLCKLOENGI-UHFFFAOYSA-N 0 1 384.929 2.945 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457593970 564666281 /nfs/dbraw/zinc/66/62/81/564666281.db2.gz YXECYWANXUYDCQ-GFCCVEGCSA-N 0 1 382.295 2.799 20 0 GFADMN C[C@@H]1[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCCN1C ZINC000457712708 564670390 /nfs/dbraw/zinc/67/03/90/564670390.db2.gz OTJZIEXLIRLNTH-IAQYHMDHSA-N 0 1 382.295 2.846 20 0 GFADMN Cn1ncc(Br)c1CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000487195671 564679270 /nfs/dbraw/zinc/67/92/70/564679270.db2.gz BXJIQOYJPXLNQN-JTQLQIEISA-N 0 1 392.219 2.541 20 0 GFADMN C[C@@H](CNC(=O)NCc1nc2cccc(Br)c2[nH]1)Cn1cccn1 ZINC000457965728 564681455 /nfs/dbraw/zinc/68/14/55/564681455.db2.gz JZDHVGTXBTWJQZ-NSHDSACASA-N 0 1 391.273 2.657 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(I)cc1Cl ZINC000524419066 564681821 /nfs/dbraw/zinc/68/18/21/564681821.db2.gz UDWADISYOPBBCM-SNVBAGLBSA-N 0 1 390.652 2.911 20 0 GFADMN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc(Sc2ccccn2)o1 ZINC000552243584 564682332 /nfs/dbraw/zinc/68/23/32/564682332.db2.gz DWLLWTAHHNYYGO-AWEZNQCLSA-N 0 1 381.523 2.730 20 0 GFADMN Cn1ncc(Br)c1CNCCOc1ccc(C(F)(F)F)cn1 ZINC000487306410 564682763 /nfs/dbraw/zinc/68/27/63/564682763.db2.gz WYTLXTPTNHEHMO-UHFFFAOYSA-N 0 1 379.180 2.765 20 0 GFADMN COC1CCC(NC(=O)c2n[nH]c3ccc(I)cc32)CC1 ZINC000458054281 564686344 /nfs/dbraw/zinc/68/63/44/564686344.db2.gz BMLQANFGYHYJOT-UHFFFAOYSA-N 0 1 399.232 2.855 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000524852137 564688597 /nfs/dbraw/zinc/68/85/97/564688597.db2.gz HQXNNSWQHAZILY-UHFFFAOYSA-N 0 1 375.855 2.558 20 0 GFADMN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cccc(Br)c1O ZINC000524872570 564689870 /nfs/dbraw/zinc/68/98/70/564689870.db2.gz MGBPTHCKJQDRJJ-UHFFFAOYSA-N 0 1 398.278 2.830 20 0 GFADMN COc1ccc(NC(=O)c2ncc(C)cc2O)c(I)c1 ZINC000487610102 564692039 /nfs/dbraw/zinc/69/20/39/564692039.db2.gz RJQFAOIONWOBDT-UHFFFAOYSA-N 0 1 384.173 2.961 20 0 GFADMN CCCC[N@H+](C)CCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458380015 564700106 /nfs/dbraw/zinc/70/01/06/564700106.db2.gz HLLSJPZFZGTKHZ-UHFFFAOYSA-N 0 1 382.306 2.857 20 0 GFADMN C[C@H](NC[C@@H]1CS(=O)(=O)CCO1)c1ccc(SCC(F)(F)F)cc1 ZINC000552930070 564704592 /nfs/dbraw/zinc/70/45/92/564704592.db2.gz MIMUQBVSINQHBT-WCQYABFASA-N 0 1 383.457 2.805 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1cc(Br)ccc1OC ZINC000525663985 564704642 /nfs/dbraw/zinc/70/46/42/564704642.db2.gz SQWBDXAFYRDPES-UHFFFAOYSA-N 0 1 396.241 2.847 20 0 GFADMN CCc1nc(CNC(=O)N[C@H](CC)Cc2ccccc2Br)n[nH]1 ZINC000458535540 564705366 /nfs/dbraw/zinc/70/53/66/564705366.db2.gz FSIUQHJJBPXVLU-GFCCVEGCSA-N 0 1 380.290 2.950 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCN1CC=CCC1 ZINC000526027121 564716557 /nfs/dbraw/zinc/71/65/57/564716557.db2.gz ASDLCPSLLRZXCV-UHFFFAOYSA-N 0 1 389.297 2.935 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000576678871 564717401 /nfs/dbraw/zinc/71/74/01/564717401.db2.gz PYTXXDALLTVYIV-CYBMUJFWSA-N 0 1 393.289 2.588 20 0 GFADMN CN(CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCSC1 ZINC000488701197 564718406 /nfs/dbraw/zinc/71/84/06/564718406.db2.gz YFRMOIHEFZMFCY-KGLIPLIRSA-N 0 1 398.370 2.581 20 0 GFADMN Cc1cnn(C)c1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br ZINC000576795705 564718761 /nfs/dbraw/zinc/71/87/61/564718761.db2.gz LCAKIDRXIHYHBO-UHFFFAOYSA-N 0 1 397.254 2.947 20 0 GFADMN O=c1[nH]c2ccccc2n1CCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553428375 564720740 /nfs/dbraw/zinc/72/07/40/564720740.db2.gz CEWHBTPGCQPHNG-UHFFFAOYSA-N 0 1 387.795 2.652 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000553435276 564720806 /nfs/dbraw/zinc/72/08/06/564720806.db2.gz PPGCHAKDEFLZAX-UHFFFAOYSA-N 0 1 384.395 2.829 20 0 GFADMN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000488854601 564722291 /nfs/dbraw/zinc/72/22/91/564722291.db2.gz NHZDKBZPYZZCHY-KBPBESRZSA-N 0 1 387.307 2.941 20 0 GFADMN O=C1[C@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCN1c1ccccc1 ZINC000553493706 564722957 /nfs/dbraw/zinc/72/29/57/564722957.db2.gz RWTHBPYWSPYTQN-CYBMUJFWSA-N 0 1 386.807 2.702 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489077613 564728330 /nfs/dbraw/zinc/72/83/30/564728330.db2.gz GZRMVNMMUOLWBB-UHFFFAOYSA-N 0 1 384.395 2.829 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)n[nH]1 ZINC000553618531 564730135 /nfs/dbraw/zinc/73/01/35/564730135.db2.gz TVRGQYSPQUGJJU-ZETCQYMHSA-N 0 1 376.214 2.620 20 0 GFADMN CCOC(=O)C[C@H](C)N(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459193742 564735737 /nfs/dbraw/zinc/73/57/37/564735737.db2.gz FVKMZDLRUIQTRS-JTQLQIEISA-N 0 1 397.273 2.809 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NCC1(CO)CCCC1 ZINC000459222867 564737934 /nfs/dbraw/zinc/73/79/34/564737934.db2.gz VOAZPFXMCJIUPL-UHFFFAOYSA-N 0 1 381.274 2.677 20 0 GFADMN CS(=O)(=O)c1ccc(CNC(=O)c2cccc(Br)c2O)s1 ZINC000527308280 564737941 /nfs/dbraw/zinc/73/79/41/564737941.db2.gz LLUGVJIKMFXEPL-UHFFFAOYSA-N 0 1 390.280 2.550 20 0 GFADMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC1=Cc2cc(Br)ccc2OC1 ZINC000527303311 564738076 /nfs/dbraw/zinc/73/80/76/564738076.db2.gz IDKYPTJUVQLMQF-MJEQTWJJSA-N 0 1 377.282 2.811 20 0 GFADMN CCO[C@@H]1C[C@H](NCCS(=O)(=O)N(CC)CC)[C@H]1Sc1ccccc1 ZINC000459419180 564743576 /nfs/dbraw/zinc/74/35/76/564743576.db2.gz BDKMEGZBSVGDIQ-RCCFBDPRSA-N 0 1 386.583 2.586 20 0 GFADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCN1C ZINC000489607188 564745550 /nfs/dbraw/zinc/74/55/50/564745550.db2.gz FNVWHZFZROVBPL-MNOVXSKESA-N 0 1 384.395 2.828 20 0 GFADMN CC[C@@H](C)[C@@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000554098653 564750021 /nfs/dbraw/zinc/75/00/21/564750021.db2.gz OHFUYWCXQRACPZ-RNCFNFMXSA-N 0 1 392.257 2.701 20 0 GFADMN CC[C@@H](C)[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000554098653 564750027 /nfs/dbraw/zinc/75/00/27/564750027.db2.gz OHFUYWCXQRACPZ-RNCFNFMXSA-N 0 1 392.257 2.701 20 0 GFADMN CON1CCC(N(C)CC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000459594492 564752502 /nfs/dbraw/zinc/75/25/02/564752502.db2.gz YXNACRFZXMGQFG-UHFFFAOYSA-N 0 1 392.244 2.623 20 0 GFADMN O=C([C@@H]1C[C@@]12CCc1cc(Br)ccc12)N1CC[C@H](c2nc[nH]n2)C1 ZINC000580306318 564755390 /nfs/dbraw/zinc/75/53/90/564755390.db2.gz JNAXAUWGGIQUPQ-XLWVJDPXSA-N 0 1 387.281 2.787 20 0 GFADMN COc1ccc(Br)c(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1 ZINC000489975793 564758177 /nfs/dbraw/zinc/75/81/77/564758177.db2.gz CBUZEOARQGWCBC-KRWDZBQOSA-N 0 1 375.266 2.788 20 0 GFADMN O[C@H](CN[C@H]1CCCc2c[nH]nc21)COc1cc(F)cc(Br)c1 ZINC000580543539 564763041 /nfs/dbraw/zinc/76/30/41/564763041.db2.gz HNSHWTPNGRKKTO-HIFRSBDPSA-N 0 1 384.249 2.718 20 0 GFADMN C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(N)=O ZINC000490109394 564763831 /nfs/dbraw/zinc/76/38/31/564763831.db2.gz YNACTMLJOURBLV-YMTOWFKASA-N 0 1 388.823 2.554 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000580548875 564763931 /nfs/dbraw/zinc/76/39/31/564763931.db2.gz PSNJVXWCVVAISS-NSHDSACASA-N 0 1 380.798 2.606 20 0 GFADMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cc(Br)sc1Cl ZINC000528047255 564768072 /nfs/dbraw/zinc/76/80/72/564768072.db2.gz DHIUEQONHMBJEI-QMMMGPOBSA-N 0 1 387.752 2.783 20 0 GFADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000490436162 564770697 /nfs/dbraw/zinc/77/06/97/564770697.db2.gz DYXGMKHTHAVEIS-SNVBAGLBSA-N 0 1 380.407 2.738 20 0 GFADMN Cc1nc2ccc(Cn3cc(I)cc(C)c3=O)cc2[nH]1 ZINC000460463233 564775680 /nfs/dbraw/zinc/77/56/80/564775680.db2.gz YLISWXYVZRFPLQ-UHFFFAOYSA-N 0 1 379.201 2.994 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000580901637 564778733 /nfs/dbraw/zinc/77/87/33/564778733.db2.gz ZXFPVSQOJHTZSA-GXTWGEPZSA-N 0 1 377.286 2.746 20 0 GFADMN COc1ccc(Br)cc1CC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000460679680 564779309 /nfs/dbraw/zinc/77/93/09/564779309.db2.gz VWQQJFYYLWUUHK-KBPBESRZSA-N 0 1 399.329 2.616 20 0 GFADMN O=C(Nc1ccc(Cl)cc1Cl)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000580935334 564780734 /nfs/dbraw/zinc/78/07/34/564780734.db2.gz XFXXVZBBGNGBPB-CYBMUJFWSA-N 0 1 385.295 2.812 20 0 GFADMN Fc1c(Br)ccc(CN2CC[C@H](CN3CCOCC3)C2)c1F ZINC000528390241 564782334 /nfs/dbraw/zinc/78/23/34/564782334.db2.gz OHVBLPRLFHPRKQ-GFCCVEGCSA-N 0 1 375.257 2.881 20 0 GFADMN Nc1nc(-n2cccn2)cc(N2CC[C@H](Cc3ccc(Br)cc3)C2)n1 ZINC000581109037 564788844 /nfs/dbraw/zinc/78/88/44/564788844.db2.gz GRSPNDNAKQWKRW-CQSZACIVSA-N 0 1 399.296 2.906 20 0 GFADMN C[C@H]1CN(CCCNS(=O)(=O)Cc2ccc(C(F)F)cc2)CCCO1 ZINC000555343179 564791094 /nfs/dbraw/zinc/79/10/94/564791094.db2.gz UMSAAVYRTQTWGZ-AWEZNQCLSA-N 0 1 376.469 2.545 20 0 GFADMN CCS(=O)(=O)NCCN1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555728625 564803066 /nfs/dbraw/zinc/80/30/66/564803066.db2.gz ZYCIFZDSMWYKPF-UHFFFAOYSA-N 0 1 380.432 2.704 20 0 GFADMN CCN1CCN(CC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000461991890 564811039 /nfs/dbraw/zinc/81/10/39/564811039.db2.gz ZWRQWZMNQDXOQS-UHFFFAOYSA-N 0 1 380.330 2.578 20 0 GFADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3Br)[C@H]2C1 ZINC000493881064 564812154 /nfs/dbraw/zinc/81/21/54/564812154.db2.gz CIMVYNBOWRCHCN-PWSUYJOCSA-N 0 1 393.734 2.817 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)C2)CC1 ZINC000462059113 564814308 /nfs/dbraw/zinc/81/43/08/564814308.db2.gz IMBSNRQTMJQHJE-ZFWWWQNUSA-N 0 1 382.961 2.810 20 0 GFADMN O=C1CC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@@H](C2CC2)N1 ZINC000556428872 564825443 /nfs/dbraw/zinc/82/54/43/564825443.db2.gz BIQPSWJUGBVBCY-CXAGYDPISA-N 0 1 380.279 2.721 20 0 GFADMN Cn1c(CNC[C@@H](O)COc2cccc(Br)c2)nc2ccccc21 ZINC000582176181 564834242 /nfs/dbraw/zinc/83/42/42/564834242.db2.gz GHRQJDJZNZYHFK-CQSZACIVSA-N 0 1 390.281 2.865 20 0 GFADMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](CO)c1sccc1C ZINC000494632484 564836461 /nfs/dbraw/zinc/83/64/61/564836461.db2.gz DQBZFOCVFFQBOX-CYBMUJFWSA-N 0 1 382.507 2.865 20 0 GFADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000462440106 564840188 /nfs/dbraw/zinc/84/01/88/564840188.db2.gz JHJPXASYEMXJMF-QWHCGFSZSA-N 0 1 388.917 2.525 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000462496665 564843835 /nfs/dbraw/zinc/84/38/35/564843835.db2.gz SGKNNPXTSFHYBE-GXTWGEPZSA-N 0 1 375.332 2.827 20 0 GFADMN Cc1c(S(=O)(=O)N[C@H]2CCN(C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000462502520 564844528 /nfs/dbraw/zinc/84/45/28/564844528.db2.gz NRBHWGHDFFZGAW-WFASDCNBSA-N 0 1 382.917 2.595 20 0 GFADMN CCOC(=O)c1cnccc1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000582393128 564844482 /nfs/dbraw/zinc/84/44/82/564844482.db2.gz MJGBLCFQXXINFM-UHFFFAOYSA-N 0 1 399.266 2.552 20 0 GFADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCS(=O)(=O)[C@H]1C ZINC000556908333 564845691 /nfs/dbraw/zinc/84/56/91/564845691.db2.gz MHSAGDSJBLAOHJ-KSSFIOAISA-N 0 1 381.929 2.867 20 0 GFADMN COC(=O)c1cccc(NC(=O)N2CCN(C3CCC3)CC2)c1Br ZINC000495045332 564847866 /nfs/dbraw/zinc/84/78/66/564847866.db2.gz DWYVCBTZSQFXRP-UHFFFAOYSA-N 0 1 396.285 2.938 20 0 GFADMN Cc1nn(C)c(CNC[C@@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000582586813 564852653 /nfs/dbraw/zinc/85/26/53/564852653.db2.gz WOGFVAGBWXIPQY-CYBMUJFWSA-N 0 1 375.274 2.531 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000529915025 564856782 /nfs/dbraw/zinc/85/67/82/564856782.db2.gz VSAUZICGPNOPHZ-UHFFFAOYSA-N 0 1 399.304 2.844 20 0 GFADMN COC(=O)c1ccc(CN2CC[C@@H](c3nc(C)no3)C2)c(Br)c1 ZINC000496226051 564860409 /nfs/dbraw/zinc/86/04/09/564860409.db2.gz NRKBNUJWFRHJQH-CYBMUJFWSA-N 0 1 380.242 2.917 20 0 GFADMN CCC(=O)N1CC[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031806 564860723 /nfs/dbraw/zinc/86/07/23/564860723.db2.gz NDTDUFQZGUGRHF-CZUORRHYSA-N 0 1 386.323 2.971 20 0 GFADMN CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000530031805 564860831 /nfs/dbraw/zinc/86/08/31/564860831.db2.gz NDTDUFQZGUGRHF-CJNGLKHVSA-N 0 1 386.323 2.971 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCCc1ccc(Br)cc1Cl ZINC000557489464 564865378 /nfs/dbraw/zinc/86/53/78/564865378.db2.gz VAKKPXBISDUARW-GFCCVEGCSA-N 0 1 389.721 2.730 20 0 GFADMN COCCN(CCN1CCCOCC1)Cc1sccc1Br ZINC000463206612 564871591 /nfs/dbraw/zinc/87/15/91/564871591.db2.gz XWGGLRXMJIKAFN-UHFFFAOYSA-N 0 1 377.348 2.681 20 0 GFADMN CN(CC(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CCSC1 ZINC000557685821 564872420 /nfs/dbraw/zinc/87/24/20/564872420.db2.gz FSDIDUPKJQMHHU-SNVBAGLBSA-N 0 1 379.270 2.781 20 0 GFADMN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1nc2ccc(Br)cc2o1 ZINC000463216737 564872831 /nfs/dbraw/zinc/87/28/31/564872831.db2.gz XCOVQPZQYAGGEX-GXTWGEPZSA-N 0 1 380.286 2.885 20 0 GFADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000557714482 564873331 /nfs/dbraw/zinc/87/33/31/564873331.db2.gz PENYKJCZUODWRP-FZMZJTMJSA-N 0 1 395.301 2.948 20 0 GFADMN COC(=O)CC1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000497726577 564874578 /nfs/dbraw/zinc/87/45/78/564874578.db2.gz CSKZRDLNHHFKHF-UHFFFAOYSA-N 0 1 397.313 2.683 20 0 GFADMN Cc1[nH]c(=O)c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1Br ZINC000463323995 564875742 /nfs/dbraw/zinc/87/57/42/564875742.db2.gz MAYKLYCOLVJRPG-UHFFFAOYSA-N 0 1 393.216 2.846 20 0 GFADMN C[C@@H](NCc1ccnc(N)c1)c1ccc(Br)cc1OCCCO ZINC000463357747 564876394 /nfs/dbraw/zinc/87/63/94/564876394.db2.gz CGVRWKLFNMWZQH-GFCCVEGCSA-N 0 1 380.286 3.038 20 0 GFADMN Cc1cccc(C(=O)NCCNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000557804886 564877482 /nfs/dbraw/zinc/87/74/82/564877482.db2.gz KCIWSJLIAGSWEF-UHFFFAOYSA-N 0 1 388.823 2.635 20 0 GFADMN CCN(CC(=O)Nc1ccc(I)cc1C)C[C@H](C)OC ZINC000463430893 564881856 /nfs/dbraw/zinc/88/18/56/564881856.db2.gz XHKDNUHNJNEHIE-LBPRGKRZSA-N 0 1 390.265 2.895 20 0 GFADMN NCc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)ccn1 ZINC000463491348 564882251 /nfs/dbraw/zinc/88/22/51/564882251.db2.gz QLSOPYUSBCJYMS-INIZCTEOSA-N 0 1 376.254 2.517 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000583381298 564889593 /nfs/dbraw/zinc/88/95/93/564889593.db2.gz FAHZFBNDHJYEKS-CZUORRHYSA-N 0 1 397.313 2.828 20 0 GFADMN COc1nc(NCc2nc(-c3ccc(F)cc3)n[nH]2)ncc1Br ZINC000530647929 564889889 /nfs/dbraw/zinc/88/98/89/564889889.db2.gz PSXCXJQSVJTWPB-UHFFFAOYSA-N 0 1 379.193 2.784 20 0 GFADMN COc1nc(NCc2n[nH]c(-c3ccc(F)cc3)n2)ncc1Br ZINC000530647929 564889896 /nfs/dbraw/zinc/88/98/96/564889896.db2.gz PSXCXJQSVJTWPB-UHFFFAOYSA-N 0 1 379.193 2.784 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000530638426 564890390 /nfs/dbraw/zinc/89/03/90/564890390.db2.gz DBKBGCRMZFKIOV-DZGCQCFKSA-N 0 1 379.810 2.651 20 0 GFADMN CCOCCN(CC)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000463791226 564891138 /nfs/dbraw/zinc/89/11/38/564891138.db2.gz TUEVTCKYCNMNHH-UHFFFAOYSA-N 0 1 387.221 2.666 20 0 GFADMN 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C[C@@H](C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1)N(C)C ZINC000590774411 565203153 /nfs/dbraw/zinc/20/31/53/565203153.db2.gz IYXUSLJDHUIKJN-JSGCOSHPSA-N 0 1 386.277 2.632 20 0 GFADMN O=C(NCc1nc2ccc(Br)cc2o1)[C@H]1CCc2[nH]cnc2C1 ZINC000616643355 565206494 /nfs/dbraw/zinc/20/64/94/565206494.db2.gz WCNZZBRSAHOVEA-VIFPVBQESA-N 0 1 375.226 2.735 20 0 GFADMN Cn1c(SCC(=O)NC[C@H]2CCN2C(C)(C)C)nnc1-c1cccs1 ZINC000617014429 565219641 /nfs/dbraw/zinc/21/96/41/565219641.db2.gz JGDCODKTNZMDRS-GFCCVEGCSA-N 0 1 379.555 2.625 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000639145979 565228178 /nfs/dbraw/zinc/22/81/78/565228178.db2.gz AGGRABFVACCDOV-MRXNPFEDSA-N 0 1 396.310 2.732 20 0 GFADMN COc1cc(S(=O)(=O)N2CCCC[C@@H]2CN(C)C)ccc1Br ZINC000660009704 565237479 /nfs/dbraw/zinc/23/74/79/565237479.db2.gz YXSHRTILKKSJPN-GFCCVEGCSA-N 0 1 391.331 2.563 20 0 GFADMN Nc1ncc(CN[C@H]2CCCSc3ccc(Br)cc32)c(N)n1 ZINC000639349012 565240977 /nfs/dbraw/zinc/24/09/77/565240977.db2.gz HGRVZVBBUDDANY-LBPRGKRZSA-N 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565257308 /nfs/dbraw/zinc/25/73/08/565257308.db2.gz VVXIZEIVBUZTSK-SECBINFHSA-N 0 1 390.241 2.516 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000617790653 565259976 /nfs/dbraw/zinc/25/99/76/565259976.db2.gz ZFCIEDYYSXOVTJ-AWEZNQCLSA-N 0 1 386.323 2.610 20 0 GFADMN FC(F)(F)c1ccc(CN(CCN2CCOCC2)[C@@H]2CCSC2)nc1 ZINC000639772281 565260151 /nfs/dbraw/zinc/26/01/51/565260151.db2.gz ZQSOJJTZOKPMBX-MRXNPFEDSA-N 0 1 375.460 2.740 20 0 GFADMN O[C@H](COc1cc(F)cc(Br)c1)CN1CCC[C@H]1c1cn[nH]c1 ZINC000639779232 565261292 /nfs/dbraw/zinc/26/12/92/565261292.db2.gz ZGMULSBHLVQFBJ-HOCLYGCPSA-N 0 1 384.249 2.888 20 0 GFADMN CN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1(C)C ZINC000639918268 565266936 /nfs/dbraw/zinc/26/69/36/565266936.db2.gz LPIRHOXRFBSYLH-UHFFFAOYSA-N 0 1 375.441 2.586 20 0 GFADMN COC[C@](C)(CO)NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000639956523 565268607 /nfs/dbraw/zinc/26/86/07/565268607.db2.gz XVJFSJDCKMEUFG-RDJZCZTQSA-N 0 1 375.296 2.644 20 0 GFADMN O=C(N1CCN([C@@H]2CCC[C@H]2O)CC1)C1(c2cccc(Br)c2)CC1 ZINC000592407208 565275615 /nfs/dbraw/zinc/27/56/15/565275615.db2.gz CADYQTWBWPBWLO-IAGOWNOFSA-N 0 1 393.325 2.538 20 0 GFADMN CN(CC1CN(C)C1)C(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000618194194 565279679 /nfs/dbraw/zinc/27/96/79/565279679.db2.gz UDGOWRIKEGXELW-UHFFFAOYSA-N 0 1 381.314 2.517 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000660855331 565296496 /nfs/dbraw/zinc/29/64/96/565296496.db2.gz OEEZYIOIGZOZSU-ZDUSSCGKSA-N 0 1 385.339 2.697 20 0 GFADMN O=C(c1ccsc1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000592846581 565301138 /nfs/dbraw/zinc/30/11/38/565301138.db2.gz BEOAMOSAJVAWIK-UHFFFAOYSA-N 0 1 395.278 2.814 20 0 GFADMN C[C@@]1(C2CC2)CN(C[C@@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166868 565311805 /nfs/dbraw/zinc/31/18/05/565311805.db2.gz CPHDDEPCEUOWJY-WBVHZDCISA-N 0 1 388.277 2.829 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000593149672 565316594 /nfs/dbraw/zinc/31/65/94/565316594.db2.gz 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COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000635316820 566205716 /nfs/dbraw/zinc/20/57/16/566205716.db2.gz CURVUIXFDXZJDA-KRWDZBQOSA-N 0 1 394.269 2.762 20 0 GFADMN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000683926044 566218286 /nfs/dbraw/zinc/21/82/86/566218286.db2.gz GDCOYVTTYXHBDM-UHFFFAOYSA-N 0 1 375.372 2.976 20 0 GFADMN Nc1c(Cl)c(F)cc(C(=O)N2CCN(CC3CCOCC3)CC2)c1Cl ZINC000635581749 566219764 /nfs/dbraw/zinc/21/97/64/566219764.db2.gz DLJIZEJNWSVGKZ-UHFFFAOYSA-N 0 1 390.286 2.899 20 0 GFADMN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000657090334 566220647 /nfs/dbraw/zinc/22/06/47/566220647.db2.gz BXXUZOFTVFGGIQ-UHFFFAOYSA-N 0 1 389.974 2.717 20 0 GFADMN Cc1cc(CNC(=O)NCc2nc(-c3cccc(Br)c3)no2)n[nH]1 ZINC000684116728 566227438 /nfs/dbraw/zinc/22/74/38/566227438.db2.gz MVHUPPJEZTWIPR-UHFFFAOYSA-N 0 1 391.229 2.530 20 0 GFADMN COc1cccc(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000684575603 566238654 /nfs/dbraw/zinc/23/86/54/566238654.db2.gz XPAQWKFHQSCMLK-UHFFFAOYSA-N 0 1 384.567 2.725 20 0 GFADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000736901941 598864278 /nfs/dbraw/zinc/86/42/78/598864278.db2.gz POZHZGNLRFRRGL-ZMYBRWDISA-N 0 1 377.448 2.959 20 0 GFADMN C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1)c1ccccc1 ZINC000736129717 599032476 /nfs/dbraw/zinc/03/24/76/599032476.db2.gz FIVUPFOERJSUNJ-OAHLLOKOSA-N 0 1 391.479 2.655 20 0 GFADMN C[C@@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1)c1ccccc1 ZINC000736129717 599032479 /nfs/dbraw/zinc/03/24/79/599032479.db2.gz FIVUPFOERJSUNJ-OAHLLOKOSA-N 0 1 391.479 2.655 20 0 GFADMN C[C@H](CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000736018952 599105685 /nfs/dbraw/zinc/10/56/85/599105685.db2.gz YBYLRPPAGAACGN-MRXNPFEDSA-N 0 1 399.543 2.766 20 0 GFADMN CCO[C@@H](C)c1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cs1 ZINC000736615251 599166351 /nfs/dbraw/zinc/16/63/51/599166351.db2.gz KDSLERQISTXTKO-NSHDSACASA-N 0 1 382.449 2.784 20 0 GFADMN COC(=O)CCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736912794 599232915 /nfs/dbraw/zinc/23/29/15/599232915.db2.gz HQHSSZAYJYXDNF-UHFFFAOYSA-N 0 1 383.427 2.961 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1-c1nn[nH]n1 ZINC000737186088 599276179 /nfs/dbraw/zinc/27/61/79/599276179.db2.gz GMPZKOKVRTXTDN-OAHLLOKOSA-N 0 1 396.476 2.960 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc(Br)c1OC(F)F ZINC000820763866 598128365 /nfs/dbraw/zinc/12/83/65/598128365.db2.gz IRVZJWVKAAPVMU-SECBINFHSA-N 0 1 380.185 2.966 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736268522 598279322 /nfs/dbraw/zinc/27/93/22/598279322.db2.gz XSCCBGSYHFQLJC-UONOGXRCSA-N 0 1 388.520 2.665 20 0 GFADMN C[C@H](NC(=S)NNc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cccs1 ZINC000736126490 598323646 /nfs/dbraw/zinc/32/36/46/598323646.db2.gz OEKLHTAQYGHHNQ-QMMMGPOBSA-N 0 1 392.514 2.766 20 0 GFADMN COc1ccccc1C(=O)Nc1ccc(Oc2nccnc2-c2nn[nH]n2)cc1 ZINC000737138215 598336519 /nfs/dbraw/zinc/33/65/19/598336519.db2.gz KXKDDWOCKKHCPF-UHFFFAOYSA-N 0 1 389.375 2.710 20 0 GFADMN FC(F)(F)c1cc(Cl)c2nnc(Sc3nccnc3-c3nn[nH]n3)n2c1 ZINC000737634152 598339733 /nfs/dbraw/zinc/33/97/33/598339733.db2.gz YTTJJNRKIXVCRY-UHFFFAOYSA-N 0 1 399.749 2.523 20 0 GFADMN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000736458248 598452074 /nfs/dbraw/zinc/45/20/74/598452074.db2.gz YLEGEBANEITVHI-UHFFFAOYSA-N 0 1 398.492 2.783 20 0 GFADMN CSCc1ccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cc1 ZINC000737182380 598473158 /nfs/dbraw/zinc/47/31/58/598473158.db2.gz QVEZVIXBVDASAZ-UHFFFAOYSA-N 0 1 388.478 2.805 20 0 GFADMN O=C(CNC1(c2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737891967 598487132 /nfs/dbraw/zinc/48/71/32/598487132.db2.gz PBKJKRJTJLLBKP-UHFFFAOYSA-N 0 1 386.818 2.877 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000737983525 598503569 /nfs/dbraw/zinc/50/35/69/598503569.db2.gz WYGTZEXGGLWNHH-UHFFFAOYSA-N 0 1 385.427 2.943 20 0 GFADMN CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736434323 598618401 /nfs/dbraw/zinc/61/84/01/598618401.db2.gz DOENWLWQYHEUAA-GWCFXTLKSA-N 0 1 376.486 2.778 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000735550873 598703318 /nfs/dbraw/zinc/70/33/18/598703318.db2.gz MKSOWPPEVDYKFW-RYUDHWBXSA-N 0 1 386.843 2.930 20 0 GFADMN O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737876533 598708951 /nfs/dbraw/zinc/70/89/51/598708951.db2.gz RIUZFBMLUBEOQC-QGZVFWFLSA-N 0 1 396.882 2.626 20 0 GFADMN Cc1csc([C@@H]2CCCN2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000737454821 598760837 /nfs/dbraw/zinc/76/08/37/598760837.db2.gz HFPQJPCIKAPJLZ-HNNXBMFYSA-N 0 1 383.481 2.797 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000737187086 598779311 /nfs/dbraw/zinc/77/93/11/598779311.db2.gz OVMOXSLFLYSDOH-MNOVXSKESA-N 0 1 376.486 2.634 20 0 GFADMN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)N1CCCCC1 ZINC000821883322 599410731 /nfs/dbraw/zinc/41/07/31/599410731.db2.gz SVTRWFVVLNHNIU-QGZVFWFLSA-N 0 1 382.468 2.785 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)cc1-c1nn[nH]n1 ZINC000821970407 599488859 /nfs/dbraw/zinc/48/88/59/599488859.db2.gz NJRZJENTVTZNOQ-GFCCVEGCSA-N 0 1 398.492 2.667 20 0 GFADMN C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321931 599527908 /nfs/dbraw/zinc/52/79/08/599527908.db2.gz OELSZOQSSNQZQK-DNVCBOLYSA-N 0 1 376.464 2.709 20 0 GFADMN Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000737437664 599560880 /nfs/dbraw/zinc/56/08/80/599560880.db2.gz ZJBRYVWYVWWIIN-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN C[C@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](c2ccccc2)CO1 ZINC000820753563 599645418 /nfs/dbraw/zinc/64/54/18/599645418.db2.gz ZHAPSJBQWQYBAE-KXBFYZLASA-N 0 1 392.463 2.657 20 0 GFADMN CCSCC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821457406 599646298 /nfs/dbraw/zinc/64/62/98/599646298.db2.gz WHHBTBJMXKAKQY-NSHDSACASA-N 0 1 382.921 2.922 20 0 GFADMN CCN(CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000821165883 599690580 /nfs/dbraw/zinc/69/05/80/599690580.db2.gz YEHGSSPLNHNWFT-UHFFFAOYSA-N 0 1 379.468 2.697 20 0 GFADMN CCc1ccccc1Nc1nc(N)nc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000737274171 599713144 /nfs/dbraw/zinc/71/31/44/599713144.db2.gz JEMPFCPRFDZPIG-UAGQMJEPSA-N 0 1 396.495 2.978 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000736213434 599718540 /nfs/dbraw/zinc/71/85/40/599718540.db2.gz CVFUCLYQGGDBMS-FOIQADDNSA-N 0 1 382.460 2.635 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000736213434 599718542 /nfs/dbraw/zinc/71/85/42/599718542.db2.gz CVFUCLYQGGDBMS-FOIQADDNSA-N 0 1 382.460 2.635 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736789799 599722451 /nfs/dbraw/zinc/72/24/51/599722451.db2.gz REXHOZFADBMMHL-ZDUSSCGKSA-N 0 1 394.447 2.625 20 0 GFADMN COc1ccc([C@@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C(=O)[O-])cc1 ZINC000737958862 599763022 /nfs/dbraw/zinc/76/30/22/599763022.db2.gz KNQQNPUFEUZRGK-LJQANCHMSA-N 0 1 383.448 2.557 20 0 GFADMN CC[N@@H+](CCNC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)C1CC1 ZINC000737104162 599791443 /nfs/dbraw/zinc/79/14/43/599791443.db2.gz RLHSDIXJVOOGPL-OAHLLOKOSA-N 0 1 398.301 2.748 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1ccccc1Cl ZINC000569818850 599878375 /nfs/dbraw/zinc/87/83/75/599878375.db2.gz YEZWSQYTFCYFAC-CYBMUJFWSA-N 0 1 385.794 2.945 20 0 GFADMN C[NH+]1CCN([C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000737515466 599896402 /nfs/dbraw/zinc/89/64/02/599896402.db2.gz JAJRRDSNVAQNAV-GOSISDBHSA-N 0 1 388.851 2.932 20 0 GFADMN CCOc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1OCC(=O)[O-] ZINC000737185749 599904933 /nfs/dbraw/zinc/90/49/33/599904933.db2.gz KVUFEONEORGKSK-HUUCEWRRSA-N 0 1 378.469 2.541 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000184946469 599934524 /nfs/dbraw/zinc/93/45/24/599934524.db2.gz KHEOSOGARYWFCT-UHFFFAOYSA-N 0 1 394.537 2.970 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+](C)C)cc1 ZINC000184944529 599935382 /nfs/dbraw/zinc/93/53/82/599935382.db2.gz ASVAKEJAFINJIK-KRWDZBQOSA-N 0 1 376.478 2.583 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000736722392 599942503 /nfs/dbraw/zinc/94/25/03/599942503.db2.gz CIIWSMJEHBVCKK-APWZRJJASA-N 0 1 397.475 2.898 20 0 GFADMN Cc1oc(CN(C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000738966644 599988559 /nfs/dbraw/zinc/98/85/59/599988559.db2.gz ANWWUMYXPQNNOK-GOSISDBHSA-N 0 1 399.491 2.992 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000574763007 600004650 /nfs/dbraw/zinc/00/46/50/600004650.db2.gz FJHGQUNYGRUXBZ-PZJWPPBQSA-N 0 1 399.487 2.538 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000574763007 600004652 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GWGBWGMSSNIKFT-UHFFFAOYSA-N 0 1 387.480 2.627 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CCCC1 ZINC000833247365 602339781 /nfs/dbraw/zinc/33/97/81/602339781.db2.gz GWGBWGMSSNIKFT-UHFFFAOYSA-N 0 1 387.480 2.627 20 0 GFADMN CCC(CC)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[NH+]1CCOCC1 ZINC000828854743 602378723 /nfs/dbraw/zinc/37/87/23/602378723.db2.gz RSHPSVBDZPTYLL-QGZVFWFLSA-N 0 1 381.448 2.782 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCCNC(=O)[O-])cc2)C1 ZINC000739083447 602393718 /nfs/dbraw/zinc/39/37/18/602393718.db2.gz XSPGAFRBADIZQG-IYBDPMFKSA-N 0 1 376.501 2.621 20 0 GFADMN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000740301787 602508591 /nfs/dbraw/zinc/50/85/91/602508591.db2.gz XJJIJQCGBQJIBG-UHFFFAOYSA-N 0 1 397.479 2.701 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1)C(=O)[O-] ZINC000739658041 602528006 /nfs/dbraw/zinc/52/80/06/602528006.db2.gz CLWYVCJQGDYVBA-MRXNPFEDSA-N 0 1 379.476 2.885 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738604582 602529749 /nfs/dbraw/zinc/52/97/49/602529749.db2.gz RXPGEEQWGKLLBR-UONOGXRCSA-N 0 1 390.509 2.575 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739666663 602535234 /nfs/dbraw/zinc/53/52/34/602535234.db2.gz SWUHZHKPDFSUOB-NSHDSACASA-N 0 1 375.498 2.584 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739666663 602535236 /nfs/dbraw/zinc/53/52/36/602535236.db2.gz SWUHZHKPDFSUOB-NSHDSACASA-N 0 1 375.498 2.584 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000737940216 602536032 /nfs/dbraw/zinc/53/60/32/602536032.db2.gz SNKJLZXNPPCREC-UHFFFAOYSA-N 0 1 388.295 2.726 20 0 GFADMN CC[C@@H](CNC(=O)N1CCC(N(C)C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000737782079 602541570 /nfs/dbraw/zinc/54/15/70/602541570.db2.gz APLQMGPUXXPPLR-SFHVURJKSA-N 0 1 388.512 2.607 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C(=O)[O-] ZINC000739658818 602541989 /nfs/dbraw/zinc/54/19/89/602541989.db2.gz BKBPKWQUOCMRCD-AAEUAGOBSA-N 0 1 377.268 2.665 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000739011160 602705647 /nfs/dbraw/zinc/70/56/47/602705647.db2.gz ZTHNKBYHNVYFMD-BXWFABGCSA-N 0 1 388.512 2.900 20 0 GFADMN O=C([O-])N1CCC[C@H](C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000740513457 602705892 /nfs/dbraw/zinc/70/58/92/602705892.db2.gz VYLDCDBHRJUGQA-CYBMUJFWSA-N 0 1 383.851 2.627 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000740513458 602705965 /nfs/dbraw/zinc/70/59/65/602705965.db2.gz VYLDCDBHRJUGQA-ZDUSSCGKSA-N 0 1 383.851 2.627 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000737927977 602709603 /nfs/dbraw/zinc/70/96/03/602709603.db2.gz GWOMVFQYSDTFOC-SFHVURJKSA-N 0 1 380.533 2.815 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739178767 602775354 /nfs/dbraw/zinc/77/53/54/602775354.db2.gz KEAJSDQNURCFNA-MPKXVKKWSA-N 0 1 377.268 2.711 20 0 GFADMN Cc1ccc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1NC(=O)[O-] ZINC000830197859 602785622 /nfs/dbraw/zinc/78/56/22/602785622.db2.gz CJJRPZMMAHPORD-CALCHBBNSA-N 0 1 388.512 2.716 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739143977 602821338 /nfs/dbraw/zinc/82/13/38/602821338.db2.gz WBLXVBAYVQBICK-MAUKXSAKSA-N 0 1 376.501 2.714 20 0 GFADMN C[C@@H](C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000738626298 602851118 /nfs/dbraw/zinc/85/11/18/602851118.db2.gz CBBWUQMDOPZZNC-CYBMUJFWSA-N 0 1 387.402 2.611 20 0 GFADMN C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000740021738 603016397 /nfs/dbraw/zinc/01/63/97/603016397.db2.gz UHNRNPHNEQYOSW-KYOSRNDESA-N 0 1 387.402 2.861 20 0 GFADMN C[C@@H](c1ccc(NC(=O)NCCCN(C(=O)[O-])C2CC2)cc1)[NH+]1CCOCC1 ZINC000739054673 603031087 /nfs/dbraw/zinc/03/10/87/603031087.db2.gz CEDMUZYBICSVLL-HNNXBMFYSA-N 0 1 390.484 2.734 20 0 GFADMN C[C@@H](c1ccc(NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739055663 603031197 /nfs/dbraw/zinc/03/11/97/603031197.db2.gz HJMXFQPHVTXEQW-HOTGVXAUSA-N 0 1 390.484 2.591 20 0 GFADMN C[C@H](CNC(=O)c1cc2ccccc2cc1NC(=O)[O-])CN1CC[NH+](C)CC1 ZINC000738938202 603055361 /nfs/dbraw/zinc/05/53/61/603055361.db2.gz BBIOVKFCIYFSIC-OAHLLOKOSA-N 0 1 384.480 2.543 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000825418736 603178860 /nfs/dbraw/zinc/17/88/60/603178860.db2.gz WQJCAIYUIPPWNJ-AWEZNQCLSA-N 0 1 385.468 2.599 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1)C(=O)[O-] ZINC000739663619 603248112 /nfs/dbraw/zinc/24/81/12/603248112.db2.gz FFECBZCZOIXIQE-GFCCVEGCSA-N 0 1 384.274 2.709 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000739681623 603249341 /nfs/dbraw/zinc/24/93/41/603249341.db2.gz HMCVINFYYUDHMF-UHFFFAOYSA-N 0 1 384.408 2.616 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000739681623 603249343 /nfs/dbraw/zinc/24/93/43/603249343.db2.gz HMCVINFYYUDHMF-UHFFFAOYSA-N 0 1 384.408 2.616 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739177304 603333560 /nfs/dbraw/zinc/33/35/60/603333560.db2.gz OQWCQYREXUJEBT-GJZGRUSLSA-N 0 1 392.500 2.806 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739557331 603373537 /nfs/dbraw/zinc/37/35/37/603373537.db2.gz KJXNLWSCJAUZLD-OWCLPIDISA-N 0 1 377.489 2.571 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000826067320 603457866 /nfs/dbraw/zinc/45/78/66/603457866.db2.gz KANVFWBSFUEOAP-DZGCQCFKSA-N 0 1 388.493 2.551 20 0 GFADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244894 603485687 /nfs/dbraw/zinc/48/56/87/603485687.db2.gz ARLGRWFSVZKDSR-AEFFLSMTSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244894 603485692 /nfs/dbraw/zinc/48/56/92/603485692.db2.gz ARLGRWFSVZKDSR-AEFFLSMTSA-N 0 1 377.460 2.639 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794552 603486532 /nfs/dbraw/zinc/48/65/32/603486532.db2.gz MMHXNBBSKOOOEW-BHIYHBOVSA-N 0 1 388.512 2.729 20 0 GFADMN C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828115750 603500712 /nfs/dbraw/zinc/50/07/12/603500712.db2.gz ZSUOKUDFIDYMOR-SNVBAGLBSA-N 0 1 377.775 2.564 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828115750 603500715 /nfs/dbraw/zinc/50/07/15/603500715.db2.gz ZSUOKUDFIDYMOR-SNVBAGLBSA-N 0 1 377.775 2.564 20 0 GFADMN CCN(CC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1)C(=O)[O-] ZINC000827088894 603538871 /nfs/dbraw/zinc/53/88/71/603538871.db2.gz BFIPVYLNNLGJDA-CQSZACIVSA-N 0 1 393.484 2.701 20 0 GFADMN CCN(CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)C(=O)[O-] ZINC000827089571 603542576 /nfs/dbraw/zinc/54/25/76/603542576.db2.gz MENFYYMWVVYINK-CQSZACIVSA-N 0 1 390.484 2.684 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000826066819 603643450 /nfs/dbraw/zinc/64/34/50/603643450.db2.gz HPDPLWZNNYEBAI-NZSAHSFTSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)C1 ZINC000825950708 603765469 /nfs/dbraw/zinc/76/54/69/603765469.db2.gz LTXWQZSRCXKRQM-NVXWUHKLSA-N 0 1 375.469 2.878 20 0 GFADMN O=C([O-])NC[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000832551667 603784187 /nfs/dbraw/zinc/78/41/87/603784187.db2.gz RHRMQAJOEHPREG-XVLXNVKGSA-N 0 1 386.496 2.624 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)[C@@H]1c1cccs1 ZINC000828470608 603798296 /nfs/dbraw/zinc/79/82/96/603798296.db2.gz DYSDYQALXGVKAH-IJEWVQPXSA-N 0 1 380.514 2.573 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827099942 603799998 /nfs/dbraw/zinc/79/99/98/603799998.db2.gz SRBVHMHRGJTKSW-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000827099940 603800190 /nfs/dbraw/zinc/80/01/90/603800190.db2.gz SRBVHMHRGJTKSW-OALUTQOASA-N 0 1 388.512 2.682 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C1CCC(NC(=O)[O-])CC1 ZINC000828120536 603835919 /nfs/dbraw/zinc/83/59/19/603835919.db2.gz QQOADUJTOJUQJB-UHFFFAOYSA-N 0 1 391.516 2.913 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828259164 603844347 /nfs/dbraw/zinc/84/43/47/603844347.db2.gz JMGVJOVUPOHZSV-FHWLQOOXSA-N 0 1 388.512 2.586 20 0 GFADMN CCN(CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC000827070943 603889622 /nfs/dbraw/zinc/88/96/22/603889622.db2.gz UOMNVACFGJYIDC-LJQANCHMSA-N 0 1 388.512 2.682 20 0 GFADMN 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C[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000825986355 607747300 /nfs/dbraw/zinc/74/73/00/607747300.db2.gz ZTZWBCAFYHJXLJ-XYPWUTKMSA-N 0 1 399.499 2.624 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CN3C[C@@H](c4ccccc4F)CC3=O)C2)CC1 ZINC000834091770 605320396 /nfs/dbraw/zinc/32/03/96/605320396.db2.gz IBQYRIBWVFUNNH-HNNXBMFYSA-N 0 1 375.444 2.565 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000834025391 605403747 /nfs/dbraw/zinc/40/37/47/605403747.db2.gz HKGFJPQENIQFIC-CZUORRHYSA-N 0 1 388.493 2.771 20 0 GFADMN CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826758994 605448142 /nfs/dbraw/zinc/44/81/42/605448142.db2.gz UUHSLXHBUAUTPS-IAGOWNOFSA-N 0 1 385.468 2.705 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC(C4CCOCC4)CC3)o2)c1 ZINC000826512550 607757012 /nfs/dbraw/zinc/75/70/12/607757012.db2.gz FGUMKYWHZIJDHT-UHFFFAOYSA-N 0 1 395.467 2.555 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000833819742 605508181 /nfs/dbraw/zinc/50/81/81/605508181.db2.gz VPSFYIKSTMHCBH-QXAKKESOSA-N 0 1 388.512 2.586 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571651253 605516034 /nfs/dbraw/zinc/51/60/34/605516034.db2.gz NRRRZTUHBKTEBL-JQFCIGGWSA-N 0 1 381.423 2.605 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000571651253 605516036 /nfs/dbraw/zinc/51/60/36/605516036.db2.gz NRRRZTUHBKTEBL-JQFCIGGWSA-N 0 1 381.423 2.605 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000825818161 605517727 /nfs/dbraw/zinc/51/77/27/605517727.db2.gz VXYTZGPXRKKBCG-QRQLOZEOSA-N 0 1 388.512 2.729 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833919338 605596250 /nfs/dbraw/zinc/59/62/50/605596250.db2.gz WENPHDPODTUIBK-QGZVFWFLSA-N 0 1 379.420 2.591 20 0 GFADMN O=C([O-])N1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000739374681 605653516 /nfs/dbraw/zinc/65/35/16/605653516.db2.gz ZPHQQQBETBXLPJ-QBUWPKIASA-N 0 1 386.496 2.624 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000833819862 605670353 /nfs/dbraw/zinc/67/03/53/605670353.db2.gz WKJUCOIUMANVME-WOSRLPQWSA-N 0 1 382.892 2.630 20 0 GFADMN O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000834162512 605755823 /nfs/dbraw/zinc/75/58/23/605755823.db2.gz FDIMNJHODYBPAE-OALUTQOASA-N 0 1 385.508 2.937 20 0 GFADMN O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000834162514 605755951 /nfs/dbraw/zinc/75/59/51/605755951.db2.gz FDIMNJHODYBPAE-RBUKOAKNSA-N 0 1 385.508 2.937 20 0 GFADMN CCCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C1CCN(C(=O)[O-])CC1 ZINC000826857752 605815809 /nfs/dbraw/zinc/81/58/09/605815809.db2.gz JOWVSZDBTZQIFP-UHFFFAOYSA-N 0 1 388.512 2.987 20 0 GFADMN O=C([O-])c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)on1 ZINC000833777948 605873081 /nfs/dbraw/zinc/87/30/81/605873081.db2.gz LSMTXZGRFNREMD-CQSZACIVSA-N 0 1 377.828 2.811 20 0 GFADMN O=C([O-])c1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)on1 ZINC000833777948 605873085 /nfs/dbraw/zinc/87/30/85/605873085.db2.gz LSMTXZGRFNREMD-CQSZACIVSA-N 0 1 377.828 2.811 20 0 GFADMN CCC(CC)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])c(C)c1)[NH+]1CCOCC1 ZINC000826566587 605875697 /nfs/dbraw/zinc/87/56/97/605875697.db2.gz PIKKWAGYZASFNT-GOSISDBHSA-N 0 1 377.485 2.952 20 0 GFADMN Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1NC(=O)[O-] ZINC000829957010 605886616 /nfs/dbraw/zinc/88/66/16/605886616.db2.gz RRXMXNZUROZGEE-UHFFFAOYSA-N 0 1 383.448 2.847 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000832239958 605939189 /nfs/dbraw/zinc/93/91/89/605939189.db2.gz RILPDLDCRHIZMP-AGUYFDCRSA-N 0 1 386.408 2.618 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000832239958 605939191 /nfs/dbraw/zinc/93/91/91/605939191.db2.gz RILPDLDCRHIZMP-AGUYFDCRSA-N 0 1 386.408 2.618 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000832239999 605940863 /nfs/dbraw/zinc/94/08/63/605940863.db2.gz RPOCQBREMDDUBD-LQDVMPOASA-N 0 1 376.844 2.501 20 0 GFADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)CO[C@H]3CCCN(C(=O)[O-])C3)c2C1 ZINC000833795295 605960309 /nfs/dbraw/zinc/96/03/09/605960309.db2.gz DPDYHOCNDGOGMZ-INIZCTEOSA-N 0 1 375.469 2.756 20 0 GFADMN O=C([O-])N[C@@H](CC(F)F)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000834138212 606028001 /nfs/dbraw/zinc/02/80/01/606028001.db2.gz QWPZBWCDGXTUMF-CVEARBPZSA-N 0 1 382.407 2.584 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000822740706 606117514 /nfs/dbraw/zinc/11/75/14/606117514.db2.gz MKBJRVANQKHWRR-QGZVFWFLSA-N 0 1 375.448 2.556 20 0 GFADMN Fc1ccc(-c2nn[nH]n2)cc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000822758347 606117828 /nfs/dbraw/zinc/11/78/28/606117828.db2.gz MNKMMFVDNZVGCP-QGZVFWFLSA-N 0 1 375.448 2.556 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658051 606188152 /nfs/dbraw/zinc/18/81/52/606188152.db2.gz OYSIAVGYNSIQQR-ZFWWWQNUSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658051 606188154 /nfs/dbraw/zinc/18/81/54/606188154.db2.gz OYSIAVGYNSIQQR-ZFWWWQNUSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000820658051 606188156 /nfs/dbraw/zinc/18/81/56/606188156.db2.gz OYSIAVGYNSIQQR-ZFWWWQNUSA-N 0 1 382.493 2.711 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000820658051 606188157 /nfs/dbraw/zinc/18/81/57/606188157.db2.gz OYSIAVGYNSIQQR-ZFWWWQNUSA-N 0 1 382.493 2.711 20 0 GFADMN O=C(CCc1ccccc1)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000822983095 606334965 /nfs/dbraw/zinc/33/49/65/606334965.db2.gz JTCAHDJOZZAJNN-UHFFFAOYSA-N 0 1 390.491 2.534 20 0 GFADMN O=C(NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccccc1 ZINC000823175303 606379436 /nfs/dbraw/zinc/37/94/36/606379436.db2.gz FFFHCTDPZWHWQA-OAHLLOKOSA-N 0 1 394.454 2.648 20 0 GFADMN Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822308707 606407304 /nfs/dbraw/zinc/40/73/04/606407304.db2.gz IXUPMLWDFJSARW-UHFFFAOYSA-N 0 1 397.552 2.539 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819933167 606412165 /nfs/dbraw/zinc/41/21/65/606412165.db2.gz IJOAVQFREPCRIW-LBPRGKRZSA-N 0 1 378.502 2.807 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819933167 606412167 /nfs/dbraw/zinc/41/21/67/606412167.db2.gz IJOAVQFREPCRIW-LBPRGKRZSA-N 0 1 378.502 2.807 20 0 GFADMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822016333 606505337 /nfs/dbraw/zinc/50/53/37/606505337.db2.gz XRXZHLLGQJCFNA-LBPRGKRZSA-N 0 1 397.458 2.836 20 0 GFADMN CC[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N(CC)CC ZINC000820848385 606560761 /nfs/dbraw/zinc/56/07/61/606560761.db2.gz WUCQVNAIBZMEPX-CYBMUJFWSA-N 0 1 383.399 2.632 20 0 GFADMN C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CCN1Cc1ccccc1 ZINC000820717987 606578902 /nfs/dbraw/zinc/57/89/02/606578902.db2.gz ZPLRRPFUPGIERD-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN COC(=O)CCC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821660346 606612444 /nfs/dbraw/zinc/61/24/44/606612444.db2.gz NQKFMOZRVUWLSH-UHFFFAOYSA-N 0 1 395.410 2.633 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000819877045 606713616 /nfs/dbraw/zinc/71/36/16/606713616.db2.gz NPXCVDNCEGMRQQ-CJNGLKHVSA-N 0 1 380.427 2.822 20 0 GFADMN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821418324 606732048 /nfs/dbraw/zinc/73/20/48/606732048.db2.gz ZRALJFODYIZGJG-CQSZACIVSA-N 0 1 398.467 2.606 20 0 GFADMN O=C(Nc1ccsc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823375752 606830685 /nfs/dbraw/zinc/83/06/85/606830685.db2.gz INKVFBCVVZRZKI-UHFFFAOYSA-N 0 1 383.481 2.668 20 0 GFADMN O[C@H](CNCc1ccc(F)cc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690361 606858628 /nfs/dbraw/zinc/85/86/28/606858628.db2.gz NVCNBFWOGGCLOU-OAHLLOKOSA-N 0 1 392.232 2.592 20 0 GFADMN COc1cc(CSc2cn[nH]n2)ccc1OCc1cccc(-c2nn[nH]n2)c1 ZINC000821717558 606875084 /nfs/dbraw/zinc/87/50/84/606875084.db2.gz QKRFMELMIVRJPE-UHFFFAOYSA-N 0 1 395.448 2.865 20 0 GFADMN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413422 607013870 /nfs/dbraw/zinc/01/38/70/607013870.db2.gz PSVLUWYGHUXUPB-VXGBXAGGSA-N 0 1 389.456 2.821 20 0 GFADMN O=C(NC[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000823175668 607071703 /nfs/dbraw/zinc/07/17/03/607071703.db2.gz LXFLRAQRMBETHV-SFHVURJKSA-N 0 1 394.454 2.790 20 0 GFADMN Cc1cccc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000822284184 607152518 /nfs/dbraw/zinc/15/25/18/607152518.db2.gz LKAKNENDNAVFLI-UHFFFAOYSA-N 0 1 394.454 2.662 20 0 GFADMN CC1(C)CCC(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000820589688 607193205 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C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cnns1 ZINC000580041002 655507261 /nfs/dbraw/zinc/50/72/61/655507261.db2.gz WDSYMPNMCZVYGF-SNVBAGLBSA-N 0 1 396.314 2.693 20 0 GFADMN O=S(=O)(CCN1CCCC1)NCCc1ccc(Br)cc1Cl ZINC000580349663 655511391 /nfs/dbraw/zinc/51/13/91/655511391.db2.gz NZULPDLFOWGGBR-UHFFFAOYSA-N 0 1 395.750 2.660 20 0 GFADMN CC(C)(CNS(C)(=O)=O)NCc1cc(Br)c(Cl)s1 ZINC000708245382 655522312 /nfs/dbraw/zinc/52/23/12/655522312.db2.gz NLPJSVNAQHEOFZ-UHFFFAOYSA-N 0 1 375.741 2.581 20 0 GFADMN CN1C[C@@H](CCNCc2ncc(Br)cc2Br)CC1=O ZINC000723535313 655525533 /nfs/dbraw/zinc/52/55/33/655525533.db2.gz FVBJXZHSOBLPHH-VIFPVBQESA-N 0 1 391.107 2.565 20 0 GFADMN CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000725825393 655527190 /nfs/dbraw/zinc/52/71/90/655527190.db2.gz LDIBGYVXCHJYFU-ZDUSSCGKSA-N 0 1 388.320 2.840 20 0 GFADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(Br)cnc1Cl ZINC000725886267 655528209 /nfs/dbraw/zinc/52/82/09/655528209.db2.gz KNKWSASRCFTDBA-UHFFFAOYSA-N 0 1 379.605 2.930 20 0 GFADMN FC(F)(F)c1cccc(CNC(=S)NCCCCN2CCOCC2)c1 ZINC000726464557 655535091 /nfs/dbraw/zinc/53/50/91/655535091.db2.gz OFWKPFLVOYTFOP-UHFFFAOYSA-N 0 1 375.460 2.782 20 0 GFADMN O=S(=O)(/C=C/c1ccccc1Br)NC1CCN(C2CC2)CC1 ZINC000727442508 655545108 /nfs/dbraw/zinc/54/51/08/655545108.db2.gz DPBBEKHICRLYCJ-FMIVXFBMSA-N 0 1 385.327 2.966 20 0 GFADMN O=S(=O)(/C=C/c1ccccc1Cl)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000727456650 655545915 /nfs/dbraw/zinc/54/59/15/655545915.db2.gz BDRSVTVWOJJFQX-LEHPZIBWSA-N 0 1 384.929 2.827 20 0 GFADMN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000728019061 655551689 /nfs/dbraw/zinc/55/16/89/655551689.db2.gz RAQGTCLVLYLTSG-GEJCVMBQSA-N 0 1 381.567 2.725 20 0 GFADMN CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815045 655602766 /nfs/dbraw/zinc/60/27/66/655602766.db2.gz VYINIFSHKMIGCH-ZDUSSCGKSA-N 0 1 377.794 2.764 20 0 GFADMN CCOCCNC(=S)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733905477 655623201 /nfs/dbraw/zinc/62/32/01/655623201.db2.gz 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C[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccccc1Br ZINC000566991796 564352629 /nfs/dbraw/zinc/35/26/29/564352629.db2.gz YCWUOUYCTCREIK-ZDUSSCGKSA-N 0 1 375.332 2.743 20 0 GFADMN CC(C)n1cc([C@H](C)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000510998913 564353136 /nfs/dbraw/zinc/35/31/36/564353136.db2.gz LTRVOZVGHWGDPT-LBPRGKRZSA-N 0 1 388.896 2.886 20 0 GFADMN Cc1ccc(CCC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000476851462 564355848 /nfs/dbraw/zinc/35/58/48/564355848.db2.gz LJVVBZXPYAOKME-HUUCEWRRSA-N 0 1 383.330 2.604 20 0 GFADMN C[C@H](C(=O)[O-])[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCC1 ZINC000567293156 564365082 /nfs/dbraw/zinc/36/50/82/564365082.db2.gz OXZPLMQDWCPWGP-LLVKDONJSA-N 0 1 390.299 2.550 20 0 GFADMN CN(C(=O)c1ccc(F)c(I)c1)[C@H]1CN2CCC1CC2 ZINC000477247338 564370438 /nfs/dbraw/zinc/37/04/38/564370438.db2.gz IAHLWYYCOZWJJY-AWEZNQCLSA-N 0 1 388.224 2.597 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCNC(C)(C)C1 ZINC000477321082 564373071 /nfs/dbraw/zinc/37/30/71/564373071.db2.gz LMPREJMYHTZGSH-UHFFFAOYSA-N 0 1 383.286 2.631 20 0 GFADMN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000477328239 564373508 /nfs/dbraw/zinc/37/35/08/564373508.db2.gz GCDMOPRLOJRNMC-LLVKDONJSA-N 0 1 375.778 2.650 20 0 GFADMN COCc1c(Br)cccc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567607459 564379889 /nfs/dbraw/zinc/37/98/89/564379889.db2.gz VENTUXQFUMNNLE-JTQLQIEISA-N 0 1 380.246 2.735 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)CCc1cc(Cl)cs1 ZINC000477622658 564382081 /nfs/dbraw/zinc/38/20/81/564382081.db2.gz OMTDMIIXVVKRCH-UHFFFAOYSA-N 0 1 382.917 2.621 20 0 GFADMN CCc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000477673986 564383936 /nfs/dbraw/zinc/38/39/36/564383936.db2.gz AXILCIMKRJLLJB-YMTOWFKASA-N 0 1 382.251 2.832 20 0 GFADMN CCc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000477673986 564383941 /nfs/dbraw/zinc/38/39/41/564383941.db2.gz AXILCIMKRJLLJB-YMTOWFKASA-N 0 1 382.251 2.832 20 0 GFADMN Cn1c(=O)oc2cc(CN[C@@H](CO)c3ccc(Br)cc3)ccc21 ZINC000511863037 564384346 /nfs/dbraw/zinc/38/43/46/564384346.db2.gz YDSTXICYBBLKAN-AWEZNQCLSA-N 0 1 377.238 2.717 20 0 GFADMN CSC[C@@H](O)CN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000567725892 564385359 /nfs/dbraw/zinc/38/53/59/564385359.db2.gz NGSZLFJMIAOXSK-WMZOPIPTSA-N 0 1 383.510 2.632 20 0 GFADMN C[C@@H](NCc1ncc(I)s1)[C@H](O)Cc1ccccc1 ZINC000512085022 564391788 /nfs/dbraw/zinc/39/17/88/564391788.db2.gz ZWUDBSUZMZPXNM-ZYHUDNBSSA-N 0 1 388.274 2.829 20 0 GFADMN COc1cc(S(=O)(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1Br ZINC000452104395 564392742 /nfs/dbraw/zinc/39/27/42/564392742.db2.gz LYJVTHHCFPAQEZ-LBPRGKRZSA-N 0 1 391.331 2.561 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000512254845 564396033 /nfs/dbraw/zinc/39/60/33/564396033.db2.gz YTAPKTYYOJIGTB-GFCCVEGCSA-N 0 1 382.302 2.799 20 0 GFADMN CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512355472 564398929 /nfs/dbraw/zinc/39/89/29/564398929.db2.gz XNHQMHFKKLZFDI-OAHLLOKOSA-N 0 1 399.329 2.813 20 0 GFADMN Cc1nnc([C@H](C)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 ZINC000544828717 564400193 /nfs/dbraw/zinc/40/01/93/564400193.db2.gz YEUTVBQLIMXBIK-ZDUSSCGKSA-N 0 1 380.539 2.659 20 0 GFADMN COC(=O)c1cn([C@@H]2CCN([C@@H](C)c3ccccc3Br)C2)nn1 ZINC000544899666 564403057 /nfs/dbraw/zinc/40/30/57/564403057.db2.gz WYIMPVMDKKLUSJ-NWDGAFQWSA-N 0 1 379.258 2.835 20 0 GFADMN CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(F)c(Cl)c2)c1 ZINC000512619370 564406863 /nfs/dbraw/zinc/40/68/63/564406863.db2.gz YBDLIBYWPKFQBM-UHFFFAOYSA-N 0 1 385.892 2.931 20 0 GFADMN Cn1cc([C@H]2C[C@@H](NC(=O)c3cccc(Br)c3O)CCO2)cn1 ZINC000568215466 564409417 /nfs/dbraw/zinc/40/94/17/564409417.db2.gz WLVXCSDLZYVBDI-SMDDNHRTSA-N 0 1 380.242 2.538 20 0 GFADMN COC(=O)c1ccc(C(F)(F)F)nc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000478709006 564412681 /nfs/dbraw/zinc/41/26/81/564412681.db2.gz DUQRSZZRCUSAPE-PHIMTYICSA-N 0 1 376.400 2.842 20 0 GFADMN CC(C)n1cc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000512888915 564415345 /nfs/dbraw/zinc/41/53/45/564415345.db2.gz CLYQXQJRFYFFHD-UHFFFAOYSA-N 0 1 391.324 2.839 20 0 GFADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452419606 564415360 /nfs/dbraw/zinc/41/53/60/564415360.db2.gz FRQIHHBWSDETQZ-SNVBAGLBSA-N 0 1 391.269 2.970 20 0 GFADMN CC(C)c1nc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)n[nH]1 ZINC000452421237 564415694 /nfs/dbraw/zinc/41/56/94/564415694.db2.gz VWWYBTSQHDNUKD-UHFFFAOYSA-N 0 1 389.257 2.806 20 0 GFADMN COc1cc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc(Cl)c1OC ZINC000513012268 564417831 /nfs/dbraw/zinc/41/78/31/564417831.db2.gz OMUUIWFRIPBPHA-AWEZNQCLSA-N 0 1 382.810 2.710 20 0 GFADMN CN(CC(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000452533031 564418543 /nfs/dbraw/zinc/41/85/43/564418543.db2.gz LMPPJUBCBKQNKU-CABCVRRESA-N 0 1 376.444 2.682 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000478958355 564420177 /nfs/dbraw/zinc/42/01/77/564420177.db2.gz RXCMXKCUDWBKSE-MEDUHNTESA-N 0 1 394.313 2.549 20 0 GFADMN COC(=O)C[C@](C)(NC[C@H](O)C(F)(F)F)c1ccc(Br)cc1 ZINC000513121285 564420965 /nfs/dbraw/zinc/42/09/65/564420965.db2.gz BKRNKAUEYZIJEF-AAEUAGOBSA-N 0 1 384.192 2.740 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000513170961 564422796 /nfs/dbraw/zinc/42/27/96/564422796.db2.gz NVRNAZOTGFKQEZ-AWEZNQCLSA-N 0 1 388.917 2.669 20 0 GFADMN CC(C)NS(=O)(=O)CCN[C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545460762 564424356 /nfs/dbraw/zinc/42/43/56/564424356.db2.gz VFZSQVMXAXNKSO-SFHVURJKSA-N 0 1 381.929 2.936 20 0 GFADMN Cc1nn(C)c(C)c1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000513234894 564424731 /nfs/dbraw/zinc/42/47/31/564424731.db2.gz FZXGYHJBBKWPOW-UHFFFAOYSA-N 0 1 375.230 2.837 20 0 GFADMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(CS(C)(=O)=O)c(C)s3)C2)n[nH]1 ZINC000513251570 564425633 /nfs/dbraw/zinc/42/56/33/564425633.db2.gz RQJKRUWRFGOMQS-CYBMUJFWSA-N 0 1 381.523 2.652 20 0 GFADMN CNS(=O)(=O)CCN[C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000479294779 564435401 /nfs/dbraw/zinc/43/54/01/564435401.db2.gz IJEQSSDCRJLJBY-MRVPVSSYSA-N 0 1 389.237 2.668 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)NCc1cccc(Cl)c1Cl ZINC000545906133 564436568 /nfs/dbraw/zinc/43/65/68/564436568.db2.gz DYVCLKGDMSSYNW-UHFFFAOYSA-N 0 1 381.262 2.715 20 0 GFADMN CCSc1cccc(F)c1NS(=O)(=O)c1scnc1C(=O)OC ZINC000568940078 564441593 /nfs/dbraw/zinc/44/15/93/564441593.db2.gz VSTRIXJLEITFPN-UHFFFAOYSA-N 0 1 376.456 2.982 20 0 GFADMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(F)c(I)c1 ZINC000453073106 564445572 /nfs/dbraw/zinc/44/55/72/564445572.db2.gz NOUUZNLQCUQGML-SECBINFHSA-N 0 1 378.229 2.996 20 0 GFADMN C[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1(C)C ZINC000546125085 564445648 /nfs/dbraw/zinc/44/56/48/564445648.db2.gz YCCPLXVFKUYGFR-CYBMUJFWSA-N 0 1 396.329 2.872 20 0 GFADMN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)NC(C)(C)C)[C@H]1Sc1ccccc1 ZINC000514716496 564455413 /nfs/dbraw/zinc/45/54/13/564455413.db2.gz DXNGHFVIFWUGBK-BRWVUGGUSA-N 0 1 386.583 2.632 20 0 GFADMN Cc1cc(Br)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)s1 ZINC000453593179 564459150 /nfs/dbraw/zinc/45/91/50/564459150.db2.gz JGFNXLNZZUJZQU-CYBMUJFWSA-N 0 1 386.359 2.605 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3cccc(F)c3Br)[C@H](C)C2)n[nH]1 ZINC000453621325 564460647 /nfs/dbraw/zinc/46/06/47/564460647.db2.gz WHFIAEYYDNOEMT-GFCCVEGCSA-N 0 1 395.276 2.966 20 0 GFADMN Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000453677604 564464363 /nfs/dbraw/zinc/46/43/63/564464363.db2.gz PPHLTEJOURUHNR-GHMZBOCLSA-N 0 1 398.276 2.577 20 0 GFADMN C[C@@H]1CCCCN1CCNS(=O)(=O)Cc1cccc(Br)c1 ZINC000569483257 564465814 /nfs/dbraw/zinc/46/58/14/564465814.db2.gz AWYIGDVYULHDQE-CYBMUJFWSA-N 0 1 375.332 2.743 20 0 GFADMN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000546800680 564469940 /nfs/dbraw/zinc/46/99/40/564469940.db2.gz VCKNAZKDTAZICE-UHFFFAOYSA-N 0 1 379.320 2.833 20 0 GFADMN Cc1cncc(CS(=O)(=O)c2nnc(COc3ccc(Cl)cc3)[n-]2)c1 ZINC000569774545 564477792 /nfs/dbraw/zinc/47/77/92/564477792.db2.gz OAUIJIWBFAVVTE-UHFFFAOYSA-N 0 1 378.841 2.714 20 0 GFADMN COc1ccc(-c2n[nH]c(SCC[C@H]3CCNC3=O)n2)cc1Br ZINC000515433298 564479427 /nfs/dbraw/zinc/47/94/27/564479427.db2.gz RFCYZULEQLLEMX-SECBINFHSA-N 0 1 397.298 2.861 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000480694186 564482474 /nfs/dbraw/zinc/48/24/74/564482474.db2.gz FLNCTUGEHFHVHL-FZMZJTMJSA-N 0 1 391.306 2.611 20 0 GFADMN O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000569937645 564485207 /nfs/dbraw/zinc/48/52/07/564485207.db2.gz LSICUSMWKRKUDZ-NSHDSACASA-N 0 1 378.420 2.881 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1Cl ZINC000480838562 564489743 /nfs/dbraw/zinc/48/97/43/564489743.db2.gz MZYJIAPIRCZTLA-NOZJJQNGSA-N 0 1 379.309 2.763 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000481057900 564501356 /nfs/dbraw/zinc/50/13/56/564501356.db2.gz KHVVHVFQXQPCRO-QWRGUYRKSA-N 0 1 379.295 2.658 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000454300038 564505752 /nfs/dbraw/zinc/50/57/52/564505752.db2.gz ILNSTIPTKLRFNJ-UHFFFAOYSA-N 0 1 379.452 2.700 20 0 GFADMN O=C(NC/C=C\c1ccc(Br)cc1)NCCCCN1CCOCC1 ZINC000454340593 564506329 /nfs/dbraw/zinc/50/63/29/564506329.db2.gz ZHIPGTOOFDDMRW-ARJAWSKDSA-N 0 1 396.329 2.874 20 0 GFADMN CC=CC[C@@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000570504789 564508815 /nfs/dbraw/zinc/50/88/15/564508815.db2.gz RQMPXTDRKYDSIB-JDGPPOGSSA-N 0 1 390.241 2.621 20 0 GFADMN CC=CC[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000570504789 564508818 /nfs/dbraw/zinc/50/88/18/564508818.db2.gz RQMPXTDRKYDSIB-JDGPPOGSSA-N 0 1 390.241 2.621 20 0 GFADMN CS(=O)(=O)Nc1ccc(NC(=O)Cc2n[nH]c3ccccc32)cc1Cl ZINC000516768051 564511748 /nfs/dbraw/zinc/51/17/48/564511748.db2.gz OTVONZAEXLPFAY-UHFFFAOYSA-N 0 1 378.841 2.769 20 0 GFADMN Cc1nc([C@H](C)NC(=O)Nc2cc(I)ccc2C)n[nH]1 ZINC000481390939 564511773 /nfs/dbraw/zinc/51/17/73/564511773.db2.gz KDCBSBUJVSYRTJ-QMMMGPOBSA-N 0 1 385.209 2.909 20 0 GFADMN C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000517011479 564520944 /nfs/dbraw/zinc/52/09/44/564520944.db2.gz DBTIFDOLJSYYES-FXAINCCUSA-N 0 1 380.231 2.914 20 0 GFADMN O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)NC(=O)NC1CC1 ZINC000481771457 564523208 /nfs/dbraw/zinc/52/32/08/564523208.db2.gz WATIUDZKEBYWRM-OAHLLOKOSA-N 0 1 384.249 2.617 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000454845144 564524066 /nfs/dbraw/zinc/52/40/66/564524066.db2.gz CCESCXMNGNAMKE-CYBMUJFWSA-N 0 1 388.921 2.660 20 0 GFADMN COCCN(Cc1ccco1)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000517201714 564527486 /nfs/dbraw/zinc/52/74/86/564527486.db2.gz QTANMBXKBXHZOY-UHFFFAOYSA-N 0 1 379.356 2.841 20 0 GFADMN CCCSc1nsc(NC(=O)NC(C)(C)CN2CCN(CC)CC2)n1 ZINC000454956996 564529322 /nfs/dbraw/zinc/52/93/22/564529322.db2.gz ICGODMHRRASYCN-UHFFFAOYSA-N 0 1 386.591 2.578 20 0 GFADMN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc2nc[nH]c21 ZINC000517275122 564529805 /nfs/dbraw/zinc/52/98/05/564529805.db2.gz PFKKJBWTLVWDNR-OAHLLOKOSA-N 0 1 399.248 2.861 20 0 GFADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000481984670 564530963 /nfs/dbraw/zinc/53/09/63/564530963.db2.gz VHYXHHMWCLWBCX-UHFFFAOYSA-N 0 1 391.417 2.801 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)cn1 ZINC000481989727 564531363 /nfs/dbraw/zinc/53/13/63/564531363.db2.gz NXTAKFWOWGAUCI-UHFFFAOYSA-N 0 1 376.221 2.679 20 0 GFADMN CCN1CCN(CC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000482031287 564532518 /nfs/dbraw/zinc/53/25/18/564532518.db2.gz MGAQHLJFOZRMOF-UHFFFAOYSA-N 0 1 383.323 2.771 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000517392187 564533014 /nfs/dbraw/zinc/53/30/14/564533014.db2.gz UWRFUPHPXITFLF-ZIAGYGMSSA-N 0 1 391.313 2.994 20 0 GFADMN O=S1(=O)CC[C@@H](N[C@H]2CCc3c[nH]nc3C2)c2cc(Br)ccc21 ZINC000548154470 564533220 /nfs/dbraw/zinc/53/32/20/564533220.db2.gz HVOLVTGCCDKJKZ-GXTWGEPZSA-N 0 1 396.310 2.538 20 0 GFADMN C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517414990 564533940 /nfs/dbraw/zinc/53/39/40/564533940.db2.gz NBFFTQZKSCRNPM-BETUJISGSA-N 0 1 388.917 2.652 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000518829011 564563995 /nfs/dbraw/zinc/56/39/95/564563995.db2.gz VSNLMRRCUVTWJZ-BETUJISGSA-N 0 1 386.277 2.775 20 0 GFADMN COc1ccc(C(=O)C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cc1Cl ZINC000483410421 564567142 /nfs/dbraw/zinc/56/71/42/564567142.db2.gz QLWHPWOECBQILX-ZBFHGGJFSA-N 0 1 382.913 2.570 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(Cl)c1 ZINC000571951962 564573706 /nfs/dbraw/zinc/57/37/06/564573706.db2.gz AUWYGPFFEUMHDH-UHFFFAOYSA-N 0 1 382.869 2.780 20 0 GFADMN O=C(NCC1(CO)CC2(CCC2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000548812559 564576025 /nfs/dbraw/zinc/57/60/25/564576025.db2.gz FAHQGGCEMZHFAG-UHFFFAOYSA-N 0 1 378.270 2.998 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cccc(OC)c2O)cc1Br ZINC000484051319 564581668 /nfs/dbraw/zinc/58/16/68/564581668.db2.gz ZUZTZDRVYAZIGS-UHFFFAOYSA-N 0 1 388.239 2.973 20 0 GFADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H]1CCC(=O)C1 ZINC000519614638 564584516 /nfs/dbraw/zinc/58/45/16/564584516.db2.gz 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C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccccc1Br ZINC000521691866 564634287 /nfs/dbraw/zinc/63/42/87/564634287.db2.gz ZDZTXUXKFQTOJP-CHWSQXEVSA-N 0 1 375.332 2.990 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000522096761 564644515 /nfs/dbraw/zinc/64/45/15/564644515.db2.gz UJJKGKBOBNOXFK-AWEZNQCLSA-N 0 1 383.945 2.694 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000486253449 564645105 /nfs/dbraw/zinc/64/51/05/564645105.db2.gz GCQKPURQQVRRMY-INIZCTEOSA-N 0 1 382.913 2.800 20 0 GFADMN Cc1ccc(CC(=O)Nc2c(C(N)=O)[nH]nc2C(C)C)c(Br)c1 ZINC000457109722 564647645 /nfs/dbraw/zinc/64/76/45/564647645.db2.gz DTXQHWVJAQUSMZ-UHFFFAOYSA-N 0 1 379.258 2.884 20 0 GFADMN CCN(CC)CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000573648286 564648119 /nfs/dbraw/zinc/64/81/19/564648119.db2.gz WTRFLCAIVATQLK-SFHVURJKSA-N 0 1 387.977 2.738 20 0 GFADMN Cc1n[nH]c(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)c1C ZINC000522390853 564651167 /nfs/dbraw/zinc/65/11/67/564651167.db2.gz 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2.966 20 0 GFADMN C[C@@H]1CSCCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000488148047 564705159 /nfs/dbraw/zinc/70/51/59/564705159.db2.gz JUFKRQGEGOMXCH-ZDUSSCGKSA-N 0 1 376.444 2.885 20 0 GFADMN COC(=O)c1ccnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000525726266 564706413 /nfs/dbraw/zinc/70/64/13/564706413.db2.gz FJJHNYCPVVWTCR-UHFFFAOYSA-N 0 1 376.312 2.568 20 0 GFADMN CCc1nc(CNC(=O)NCC(C)(C)c2ccccc2Br)n[nH]1 ZINC000458562448 564706477 /nfs/dbraw/zinc/70/64/77/564706477.db2.gz CGOKPZBJNDIDGX-UHFFFAOYSA-N 0 1 380.290 2.907 20 0 GFADMN O=C([C@@H]1CCCc2[nH]ncc21)N(CCO)Cc1cccc(Br)c1 ZINC000489090566 564728973 /nfs/dbraw/zinc/72/89/73/564728973.db2.gz WBUZILZZMLSBIY-CQSZACIVSA-N 0 1 378.270 2.613 20 0 GFADMN O=c1ccc(Br)cn1CCNCc1cnc([C@@H]2CCCO2)s1 ZINC000577261015 564731825 /nfs/dbraw/zinc/73/18/25/564731825.db2.gz VCOOTABUEDHVLS-ZDUSSCGKSA-N 0 1 384.299 2.709 20 0 GFADMN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)s1 ZINC000553703088 564732370 /nfs/dbraw/zinc/73/23/70/564732370.db2.gz 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564752682 /nfs/dbraw/zinc/75/26/82/564752682.db2.gz NPWGRDIPOOGASR-YGRLFVJLSA-N 0 1 382.233 2.581 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1C[C@H](O)[C@H](CO)C1 ZINC000459715904 564758739 /nfs/dbraw/zinc/75/87/39/564758739.db2.gz VBHIZCXYPKIXQB-YOEHRIQHSA-N 0 1 394.313 2.543 20 0 GFADMN CCCS(=O)(=O)N1CCC(N=c2nc(-c3ccccc3C)[nH]s2)CC1 ZINC000527850379 564763418 /nfs/dbraw/zinc/76/34/18/564763418.db2.gz SACSMWCRWCTHKF-UHFFFAOYSA-N 0 1 380.539 2.552 20 0 GFADMN Cc1cccc(N2CCN(CCCNC(=O)[C@H]3C[C@@]3(C)Br)CC2)c1 ZINC000527909790 564764141 /nfs/dbraw/zinc/76/41/41/564764141.db2.gz SHHQENVJGGJPPN-IEBWSBKVSA-N 0 1 394.357 2.797 20 0 GFADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Br)o2)C1 ZINC000490417664 564770083 /nfs/dbraw/zinc/77/00/83/564770083.db2.gz AQBXLJFKOZVUCM-NSHDSACASA-N 0 1 377.304 2.537 20 0 GFADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000490421828 564770828 /nfs/dbraw/zinc/77/08/28/564770828.db2.gz HTFHTHHFIWMESK-ZDUSSCGKSA-N 0 1 387.343 2.944 20 0 GFADMN 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390.329 2.907 20 0 GFADMN CCN(CC(F)(F)F)C(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000639639689 565254277 /nfs/dbraw/zinc/25/42/77/565254277.db2.gz UYQXOHALYDIOOG-CQSZACIVSA-N 0 1 397.235 2.657 20 0 GFADMN OCC1([C@H](NCc2cn3cc(Br)ccc3n2)[C@@H]2CCCO2)CCC1 ZINC000639769960 565258033 /nfs/dbraw/zinc/25/80/33/565258033.db2.gz YRETUNHDOILMOE-DOTOQJQBSA-N 0 1 394.313 2.897 20 0 GFADMN Brc1cc2c(cc1CN1CCC[C@@H](n3ccnn3)CC1)OCO2 ZINC000639814153 565263545 /nfs/dbraw/zinc/26/35/45/565263545.db2.gz CNSOWLFHGMREMF-CYBMUJFWSA-N 0 1 379.258 2.997 20 0 GFADMN COC(=O)[C@@H](C)c1ccc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000592353959 565271145 /nfs/dbraw/zinc/27/11/45/565271145.db2.gz XLBMAXWCEIGOHQ-JTQLQIEISA-N 0 1 384.841 2.821 20 0 GFADMN O=C(CCNC(=O)c1cccc(Br)c1O)NCc1ccccc1 ZINC000592452680 565277968 /nfs/dbraw/zinc/27/79/68/565277968.db2.gz VIVKIBCLAYWUDC-UHFFFAOYSA-N 0 1 377.238 2.591 20 0 GFADMN COC(=O)[C@H]1CNCCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000592554130 565282190 /nfs/dbraw/zinc/28/21/90/565282190.db2.gz MJDHXVRITWJJNC-LLVKDONJSA-N 0 1 379.309 2.741 20 0 GFADMN COC(=O)[C@H]1CNCCCN1C(=O)c1sc(-c2ccc(Cl)s2)nc1C ZINC000592554328 565282215 /nfs/dbraw/zinc/28/22/15/565282215.db2.gz KYFUWOCGWNQJNC-SNVBAGLBSA-N 0 1 399.925 2.811 20 0 GFADMN O=C(CN[C@H]1CCCn2nccc21)Nc1c(F)cc(F)cc1Br ZINC000640220426 565289189 /nfs/dbraw/zinc/28/91/89/565289189.db2.gz ZCFRYQHKPVAHAZ-LBPRGKRZSA-N 0 1 385.212 2.987 20 0 GFADMN CN(CC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)[C@@H]1CCSC1 ZINC000618341310 565290703 /nfs/dbraw/zinc/29/07/03/565290703.db2.gz DMYLDRUPHYVTAY-BXUZGUMPSA-N 0 1 377.337 2.923 20 0 GFADMN CC[C@@H]1CN(CC)CCN1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660735513 565292074 /nfs/dbraw/zinc/29/20/74/565292074.db2.gz JNSZERHYEDKUEO-CYBMUJFWSA-N 0 1 379.302 2.924 20 0 GFADMN CCCN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829699 565299787 /nfs/dbraw/zinc/29/97/87/565299787.db2.gz VRCMOLMNMRFSSY-LBPRGKRZSA-N 0 1 388.249 2.553 20 0 GFADMN CCCN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829699 565299792 /nfs/dbraw/zinc/29/97/92/565299792.db2.gz VRCMOLMNMRFSSY-LBPRGKRZSA-N 0 1 388.249 2.553 20 0 GFADMN O=C(NCCCS(=O)(=O)c1ccccc1)c1cccc(Br)c1O ZINC000592849691 565301308 /nfs/dbraw/zinc/30/13/08/565301308.db2.gz LRWGEKIBAVRSBI-UHFFFAOYSA-N 0 1 398.278 2.749 20 0 GFADMN COc1cc(Br)ccc1CCCNC(=O)N(C)CC1CN(C)C1 ZINC000661018643 565302366 /nfs/dbraw/zinc/30/23/66/565302366.db2.gz YYCPYJGTFRWYRT-UHFFFAOYSA-N 0 1 384.318 2.593 20 0 GFADMN CCO[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc(Br)cc32)[C@@H]1SC ZINC000592890884 565302783 /nfs/dbraw/zinc/30/27/83/565302783.db2.gz IRGUHDOSFZTVDX-BZPMIXESSA-N 0 1 384.299 2.964 20 0 GFADMN C[C@@H](C(=O)NC1CCCC1)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000640806110 565328677 /nfs/dbraw/zinc/32/86/77/565328677.db2.gz WTUJRMUQOOTXQN-ZBEGNZNMSA-N 0 1 392.301 2.709 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000640921787 565337278 /nfs/dbraw/zinc/33/72/78/565337278.db2.gz CWPWEVXSBRTBQQ-ZWZTZDBGSA-N 0 1 384.267 2.963 20 0 GFADMN CNC(C)(C)c1cn(Cc2nc(Cc3cccc(Br)c3)no2)nn1 ZINC000641041131 565341953 /nfs/dbraw/zinc/34/19/53/565341953.db2.gz KNDDSEVHCKVYKO-UHFFFAOYSA-N 0 1 391.273 2.517 20 0 GFADMN CN[C@@H](C)c1cn([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118235 565347419 /nfs/dbraw/zinc/34/74/19/565347419.db2.gz VPYRXXUASLPDAQ-LRDDRELGSA-N 0 1 392.301 2.998 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000662053938 565347696 /nfs/dbraw/zinc/34/76/96/565347696.db2.gz BTYLSFDJXXBGRR-UONOGXRCSA-N 0 1 394.313 2.720 20 0 GFADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000662203500 565353925 /nfs/dbraw/zinc/35/39/25/565353925.db2.gz FBOFWFNEAGBYND-IUODEOHRSA-N 0 1 387.263 2.522 20 0 GFADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000662203500 565353931 /nfs/dbraw/zinc/35/39/31/565353931.db2.gz FBOFWFNEAGBYND-IUODEOHRSA-N 0 1 387.263 2.522 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)c1cccs1 ZINC000662347516 565361519 /nfs/dbraw/zinc/36/15/19/565361519.db2.gz GMGCOWHQMILMFP-ZFWWWQNUSA-N 0 1 382.327 2.930 20 0 GFADMN [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341495 565361591 /nfs/dbraw/zinc/36/15/91/565361591.db2.gz QMHLJBYGWKXWFA-CRAIPNDOSA-N 0 1 388.309 2.840 20 0 GFADMN COc1cc(CS(=O)(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)sn1 ZINC000641451487 565373837 /nfs/dbraw/zinc/37/38/37/565373837.db2.gz KGVZJSWDAGVCTO-DYVFJYSZSA-N 0 1 383.539 2.571 20 0 GFADMN CC(C)(N)c1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)on1 ZINC000662540992 565375872 /nfs/dbraw/zinc/37/58/72/565375872.db2.gz OZAYCXYUMYUNRW-CQSZACIVSA-N 0 1 394.269 2.845 20 0 GFADMN C[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)Oc1ccc(Br)cc1 ZINC000662629920 565379363 /nfs/dbraw/zinc/37/93/63/565379363.db2.gz BHKDQKPGFQGUQI-JTQLQIEISA-N 0 1 382.258 2.828 20 0 GFADMN Cc1nc(C)c(S(=O)(=O)N2CCC(Cc3n[nH]c(C(C)C)n3)CC2)s1 ZINC000641644174 565390385 /nfs/dbraw/zinc/39/03/85/565390385.db2.gz MATXYEGGDDMQQI-UHFFFAOYSA-N 0 1 383.543 2.645 20 0 GFADMN Cc1nc(C)c(S(=O)(=O)N2CCC(Cc3nnc(C(C)C)[nH]3)CC2)s1 ZINC000641644174 565390387 /nfs/dbraw/zinc/39/03/87/565390387.db2.gz MATXYEGGDDMQQI-UHFFFAOYSA-N 0 1 383.543 2.645 20 0 GFADMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000641645423 565390707 /nfs/dbraw/zinc/39/07/07/565390707.db2.gz ZHHAWZRCTGEHHR-NSHDSACASA-N 0 1 377.388 2.522 20 0 GFADMN CCc1[nH]nc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1Br ZINC000663209730 565398901 /nfs/dbraw/zinc/39/89/01/565398901.db2.gz JUHJBGUHUUWVKC-UHFFFAOYSA-N 0 1 380.290 2.693 20 0 GFADMN CCOC(=O)C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000594698657 565408211 /nfs/dbraw/zinc/40/82/11/565408211.db2.gz DNGQAPNDKDHDJW-JTQLQIEISA-N 0 1 393.305 2.868 20 0 GFADMN COc1cccc([C@H](CNC(=O)c2cc(Br)c[nH]c2=O)N(C)C)c1 ZINC000621261895 565413665 /nfs/dbraw/zinc/41/36/65/565413665.db2.gz HZZFTPQWJACYDV-HNNXBMFYSA-N 0 1 394.269 2.591 20 0 GFADMN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000642588557 565414724 /nfs/dbraw/zinc/41/47/24/565414724.db2.gz HNQJRUXXPCJQOF-SECBINFHSA-N 0 1 375.841 2.944 20 0 GFADMN C[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cccc(Br)c1 ZINC000643165773 565421805 /nfs/dbraw/zinc/42/18/05/565421805.db2.gz CYXVAVHKGYMVGK-NHYWBVRUSA-N 0 1 386.253 2.972 20 0 GFADMN C[C@H](C(=O)N[C@H](c1nn[nH]n1)c1ccccc1)c1cccc(Br)c1 ZINC000643165773 565421814 /nfs/dbraw/zinc/42/18/14/565421814.db2.gz CYXVAVHKGYMVGK-NHYWBVRUSA-N 0 1 386.253 2.972 20 0 GFADMN C[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000643199936 565423022 /nfs/dbraw/zinc/42/30/22/565423022.db2.gz CQFPQBPZZPSJOG-IAOVAPTHSA-N 0 1 381.314 2.610 20 0 GFADMN CC(C)(CNC(=O)NCCCc1nc[nH]n1)c1ccc(Br)cc1 ZINC000663714555 565433154 /nfs/dbraw/zinc/43/31/54/565433154.db2.gz XBHXGANSXMVRBP-UHFFFAOYSA-N 0 1 380.290 2.777 20 0 GFADMN C[S@](=O)[C@@H]1CCC[C@H](NCc2cn(-c3ccccc3Br)nn2)C1 ZINC000594964245 565438649 /nfs/dbraw/zinc/43/86/49/565438649.db2.gz CKSVIWRZBLPDPE-ZSDPLGQISA-N 0 1 397.342 2.809 20 0 GFADMN COCc1nc(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)n[nH]1 ZINC000663854683 565439620 /nfs/dbraw/zinc/43/96/20/565439620.db2.gz VVLKVDWXGZORCG-UHFFFAOYSA-N 0 1 388.255 2.526 20 0 GFADMN COCc1nnc(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)[nH]1 ZINC000663854683 565439625 /nfs/dbraw/zinc/43/96/25/565439625.db2.gz VVLKVDWXGZORCG-UHFFFAOYSA-N 0 1 388.255 2.526 20 0 GFADMN NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000621728539 565440143 /nfs/dbraw/zinc/44/01/43/565440143.db2.gz SHALTFXRAXDFMF-QMMMGPOBSA-N 0 1 392.091 2.615 20 0 GFADMN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000621728539 565440147 /nfs/dbraw/zinc/44/01/47/565440147.db2.gz SHALTFXRAXDFMF-QMMMGPOBSA-N 0 1 392.091 2.615 20 0 GFADMN O=S(=O)(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1sccc1Br ZINC000644277985 565469063 /nfs/dbraw/zinc/46/90/63/565469063.db2.gz LXWLCZQBXQXDLW-HZGVNTEJSA-N 0 1 394.234 2.635 20 0 GFADMN C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@@H]2C1 ZINC000644301127 565471149 /nfs/dbraw/zinc/47/11/49/565471149.db2.gz SAIJJKJTFDHINA-QPUJVOFHSA-N 0 1 397.697 2.566 20 0 GFADMN CN1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)c(Br)cc3F)[C@@H]2C1 ZINC000644301127 565471152 /nfs/dbraw/zinc/47/11/52/565471152.db2.gz SAIJJKJTFDHINA-QPUJVOFHSA-N 0 1 397.697 2.566 20 0 GFADMN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc(Br)cn1 ZINC000622786170 565474873 /nfs/dbraw/zinc/47/48/73/565474873.db2.gz POGDTICOQNDHKB-WDEREUQCSA-N 0 1 397.191 2.791 20 0 GFADMN CN1CCN(c2cc(-c3noc(-c4cc(Br)co4)n3)ccn2)CC1 ZINC000664931218 565484573 /nfs/dbraw/zinc/48/45/73/565484573.db2.gz ZSZDSKXYHACXON-UHFFFAOYSA-N 0 1 390.241 2.906 20 0 GFADMN CN(C(=O)N[C@H]1CCc2nc[nH]c2C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664925799 565484782 /nfs/dbraw/zinc/48/47/82/565484782.db2.gz CJESHSOTFRVUQV-BONVTDFDSA-N 0 1 383.279 2.949 20 0 GFADMN CCc1nn(C)c(OC)c1CNC[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644618177 565485413 /nfs/dbraw/zinc/48/54/13/565485413.db2.gz MUJMUGQWWLNEHS-LLVKDONJSA-N 0 1 388.295 2.827 20 0 GFADMN CN1C[C@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3Br)[C@H]2C1 ZINC000644862508 565498939 /nfs/dbraw/zinc/49/89/39/565498939.db2.gz RTWQRFAZEZROSS-HIFRSBDPSA-N 0 1 395.322 2.927 20 0 GFADMN CN(CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@H]1CCSC1 ZINC000623262927 565502114 /nfs/dbraw/zinc/50/21/14/565502114.db2.gz WABWPQYWLPCAQA-LBPRGKRZSA-N 0 1 387.318 2.910 20 0 GFADMN Nc1ccc(F)c(NC(=O)CCN2CCc3nccc(Br)c3C2)c1 ZINC000623287162 565503237 /nfs/dbraw/zinc/50/32/37/565503237.db2.gz ROVMDZTXIJXENJ-UHFFFAOYSA-N 0 1 393.260 2.952 20 0 GFADMN COCc1nc(CNC(=O)N2CC(C)(C)c3ccc(Br)cc32)n[nH]1 ZINC000666113880 565522653 /nfs/dbraw/zinc/52/26/53/565522653.db2.gz ZFRXBNGVEGIKID-UHFFFAOYSA-N 0 1 394.273 2.721 20 0 GFADMN COCc1nnc(CNC(=O)N2CC(C)(C)c3ccc(Br)cc32)[nH]1 ZINC000666113880 565522657 /nfs/dbraw/zinc/52/26/57/565522657.db2.gz ZFRXBNGVEGIKID-UHFFFAOYSA-N 0 1 394.273 2.721 20 0 GFADMN OC[C@@]1(NCc2cn(C3CCC3)nn2)CCc2cc(Br)ccc2C1 ZINC000623645083 565523450 /nfs/dbraw/zinc/52/34/50/565523450.db2.gz NLGAYJATOKSABS-GOSISDBHSA-N 0 1 391.313 2.775 20 0 GFADMN C[C@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)c2ccccc2S1 ZINC000623675063 565524093 /nfs/dbraw/zinc/52/40/93/565524093.db2.gz CEKLMIHVULRALI-LBPRGKRZSA-N 0 1 377.491 2.984 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645474321 565528118 /nfs/dbraw/zinc/52/81/18/565528118.db2.gz YSFBJSMIVJNFDO-STQMWFEESA-N 0 1 379.448 2.747 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645474320 565528134 /nfs/dbraw/zinc/52/81/34/565528134.db2.gz YSFBJSMIVJNFDO-CHWSQXEVSA-N 0 1 379.448 2.747 20 0 GFADMN O=c1ccc([C@@H]2OCC[C@H]2NCc2cc3c(cc2Br)OCO3)c[nH]1 ZINC000623736885 565528340 /nfs/dbraw/zinc/52/83/40/565528340.db2.gz KTCKWUCIBOQKIK-DYVFJYSZSA-N 0 1 393.237 2.898 20 0 GFADMN O=C1[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)CCN1C1CCC1 ZINC000623840293 565532702 /nfs/dbraw/zinc/53/27/02/565532702.db2.gz VBLBKUFPCCZEMO-QGZVFWFLSA-N 0 1 389.297 2.878 20 0 GFADMN CC(C)(O)CN1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000623929651 565536233 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ZINC000830327573 601247280 /nfs/dbraw/zinc/24/72/80/601247280.db2.gz GOQBMURUZYFKQC-JCVNQNCUSA-N 0 1 389.477 2.569 20 0 GFADMN C[C@H](CCNS(=O)(=O)c1csc(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000379610420 601260882 /nfs/dbraw/zinc/26/08/82/601260882.db2.gz PIHWFOLBLYMDFC-CYBMUJFWSA-N 0 1 382.507 2.635 20 0 GFADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828295246 601262092 /nfs/dbraw/zinc/26/20/92/601262092.db2.gz CBOJEOQSJSBHGC-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828295246 601262094 /nfs/dbraw/zinc/26/20/94/601262094.db2.gz CBOJEOQSJSBHGC-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000398062094 601264881 /nfs/dbraw/zinc/26/48/81/601264881.db2.gz BNELDPDLZNRTHZ-DZGCQCFKSA-N 0 1 394.518 2.635 20 0 GFADMN Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833058837 601307109 /nfs/dbraw/zinc/30/71/09/601307109.db2.gz HMOKRICUUNWIMU-VQTJNVASSA-N 0 1 381.476 2.590 20 0 GFADMN Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833058837 601307110 /nfs/dbraw/zinc/30/71/10/601307110.db2.gz HMOKRICUUNWIMU-VQTJNVASSA-N 0 1 381.476 2.590 20 0 GFADMN C[C@H]1C[N@@H+](Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H]1N1CCOCC1 ZINC000828457855 601325315 /nfs/dbraw/zinc/32/53/15/601325315.db2.gz ZWQIKQDAUJFBDN-WFASDCNBSA-N 0 1 378.469 2.891 20 0 GFADMN CCOC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000829989536 601379744 /nfs/dbraw/zinc/37/97/44/601379744.db2.gz HAFOXBGHBFTYGL-STQMWFEESA-N 0 1 380.510 2.868 20 0 GFADMN CCOC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000829989536 601379745 /nfs/dbraw/zinc/37/97/45/601379745.db2.gz HAFOXBGHBFTYGL-STQMWFEESA-N 0 1 380.510 2.868 20 0 GFADMN CCOC[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000829989532 601379772 /nfs/dbraw/zinc/37/97/72/601379772.db2.gz HAFOXBGHBFTYGL-OLZOCXBDSA-N 0 1 380.510 2.868 20 0 GFADMN CCOC[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000829989532 601379773 /nfs/dbraw/zinc/37/97/73/601379773.db2.gz HAFOXBGHBFTYGL-OLZOCXBDSA-N 0 1 380.510 2.868 20 0 GFADMN CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000659794752 601434394 /nfs/dbraw/zinc/43/43/94/601434394.db2.gz QIFUSRVIOPZHTJ-SBHAEUEKSA-N 0 1 389.492 2.984 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)CC3(CC(=O)[O-])CC3)cc2)C1 ZINC000828266319 601507160 /nfs/dbraw/zinc/50/71/60/601507160.db2.gz STLREGMVBOSNHN-MRXNPFEDSA-N 0 1 394.537 2.593 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828438766 601525139 /nfs/dbraw/zinc/52/51/39/601525139.db2.gz FLSWSBPLPDCWLN-JXFKEZNVSA-N 0 1 382.460 2.534 20 0 GFADMN COc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1-c1nn[nH]n1 ZINC000826193558 607512490 /nfs/dbraw/zinc/51/24/90/607512490.db2.gz HLIOJYHWNRROIT-GOSISDBHSA-N 0 1 379.464 2.709 20 0 GFADMN Cc1csc2nc(C[N@H+]3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc(=O)n12 ZINC000832989210 601539886 /nfs/dbraw/zinc/53/98/86/601539886.db2.gz FAMJQHAMMARZHD-HOCLYGCPSA-N 0 1 375.494 2.920 20 0 GFADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000565838923 601543961 /nfs/dbraw/zinc/54/39/61/601543961.db2.gz UFFQJCIQYOJLEG-IEBWSBKVSA-N 0 1 375.852 2.902 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C[C@H]1C(=O)[O-] ZINC000828349648 601544823 /nfs/dbraw/zinc/54/48/23/601544823.db2.gz RBQZJMJEWSXZBH-UHOFOFEASA-N 0 1 399.413 2.642 20 0 GFADMN CC[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1ccccc1 ZINC000829619123 601599550 /nfs/dbraw/zinc/59/95/50/601599550.db2.gz SJGKJJPSDDXWFY-FQEVSTJZSA-N 0 1 379.460 2.802 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000826044023 601608179 /nfs/dbraw/zinc/60/81/79/601608179.db2.gz BBKBNIUHHCDEGZ-LAUBAEHRSA-N 0 1 395.503 2.626 20 0 GFADMN C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826027745 601608721 /nfs/dbraw/zinc/60/87/21/601608721.db2.gz ZWQGDNPUELCRNN-DBVUQKKJSA-N 0 1 381.476 2.872 20 0 GFADMN CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C(=O)[O-])sc1C ZINC000829623921 601614145 /nfs/dbraw/zinc/61/41/45/601614145.db2.gz GXNQOIZJKIMYJW-UHFFFAOYSA-N 0 1 390.461 2.987 20 0 GFADMN CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C(=O)[O-])sc1C ZINC000829623921 601614146 /nfs/dbraw/zinc/61/41/46/601614146.db2.gz GXNQOIZJKIMYJW-UHFFFAOYSA-N 0 1 390.461 2.987 20 0 GFADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000828246623 601728746 /nfs/dbraw/zinc/72/87/46/601728746.db2.gz WKENYERKCYRHJR-SFGWALBWSA-N 0 1 388.508 2.817 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)Cc2c[nH]c3ccccc23)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116921 601736149 /nfs/dbraw/zinc/73/61/49/601736149.db2.gz SQRWXEDOJBNLID-HSZRJFAPSA-N 0 1 391.471 2.946 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000826182599 607526995 /nfs/dbraw/zinc/52/69/95/607526995.db2.gz OTXHAZIOTOBKOA-UHFFFAOYSA-N 0 1 398.511 2.536 20 0 GFADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000109118752 601829492 /nfs/dbraw/zinc/82/94/92/601829492.db2.gz XWDRCIVNSHBHBE-CYBMUJFWSA-N 0 1 394.880 2.720 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1cccs1 ZINC000232752277 601832395 /nfs/dbraw/zinc/83/23/95/601832395.db2.gz PEKCNQWOUAJAHW-ZDUSSCGKSA-N 0 1 388.898 2.681 20 0 GFADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000832407925 601845684 /nfs/dbraw/zinc/84/56/84/601845684.db2.gz NAYLIOUAMUHJFY-CYBMUJFWSA-N 0 1 391.468 2.557 20 0 GFADMN CCC[C@H]1CN(Cc2ccoc2C(=O)OC)CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000829265790 601869024 /nfs/dbraw/zinc/86/90/24/601869024.db2.gz AUMCDWNUTRJKQE-INIZCTEOSA-N 0 1 390.436 2.844 20 0 GFADMN CCC[C@H]1CN(Cc2ccoc2C(=O)OC)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000829265790 601869025 /nfs/dbraw/zinc/86/90/25/601869025.db2.gz AUMCDWNUTRJKQE-INIZCTEOSA-N 0 1 390.436 2.844 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000828177136 601879684 /nfs/dbraw/zinc/87/96/84/601879684.db2.gz OBDBLQGIBFTNKP-QFBILLFUSA-N 0 1 397.475 2.612 20 0 GFADMN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000828028829 601890999 /nfs/dbraw/zinc/89/09/99/601890999.db2.gz DVOSAHRSGKXMGV-LEWJYISDSA-N 0 1 387.480 2.505 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739101300 601898013 /nfs/dbraw/zinc/89/80/13/601898013.db2.gz BKFHBTDLUGWCRK-QZTJIDSGSA-N 0 1 387.524 2.935 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826022153 601919650 /nfs/dbraw/zinc/91/96/50/601919650.db2.gz XCESGXOXBBEVBR-GHMZBOCLSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826022153 601919652 /nfs/dbraw/zinc/91/96/52/601919652.db2.gz XCESGXOXBBEVBR-GHMZBOCLSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826012583 601926963 /nfs/dbraw/zinc/92/69/63/601926963.db2.gz HHBPVHWVWAXOFL-ZWNOBZJWSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826012583 601926967 /nfs/dbraw/zinc/92/69/67/601926967.db2.gz HHBPVHWVWAXOFL-ZWNOBZJWSA-N 0 1 376.400 2.925 20 0 GFADMN COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739955145 601928882 /nfs/dbraw/zinc/92/88/82/601928882.db2.gz ATFUGLNPMUCDLU-CGTJXYLNSA-N 0 1 389.496 2.869 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000740642121 601948440 /nfs/dbraw/zinc/94/84/40/601948440.db2.gz INZWHCDXCZKSON-QGZVFWFLSA-N 0 1 381.476 2.872 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740416033 602018408 /nfs/dbraw/zinc/01/84/08/602018408.db2.gz ZTJCNZCLKLALGR-HOTGVXAUSA-N 0 1 394.541 2.649 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)c1ccccc1Cl ZINC000739605959 602062846 /nfs/dbraw/zinc/06/28/46/602062846.db2.gz DISGFYCCPMWIQM-XJKSGUPXSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739109314 602080347 /nfs/dbraw/zinc/08/03/47/602080347.db2.gz ZSFVDVUDBPIVOC-SJORKVTESA-N 0 1 388.512 2.860 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738976669 602097489 /nfs/dbraw/zinc/09/74/89/602097489.db2.gz HTHXUEFCYSSDHR-RYRKJORJSA-N 0 1 388.512 2.511 20 0 GFADMN O=C([O-])NC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740631198 602145567 /nfs/dbraw/zinc/14/55/67/602145567.db2.gz GQNUEMRUMZBYJV-RTBURBONSA-N 0 1 388.512 2.588 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000739385741 602148909 /nfs/dbraw/zinc/14/89/09/602148909.db2.gz VAWADSIJZJBLGM-UHFFFAOYSA-N 0 1 376.501 2.908 20 0 GFADMN O=C([O-])NCCc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000740671478 602187827 /nfs/dbraw/zinc/18/78/27/602187827.db2.gz PEUKAZNBZHTCJN-UHFFFAOYSA-N 0 1 396.491 2.524 20 0 GFADMN CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584529474 602212575 /nfs/dbraw/zinc/21/25/75/602212575.db2.gz JGOAOEOGFXHMNF-VQTJNVASSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584529474 602212582 /nfs/dbraw/zinc/21/25/82/602212582.db2.gz JGOAOEOGFXHMNF-VQTJNVASSA-N 0 1 382.460 2.794 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000833286036 602249270 /nfs/dbraw/zinc/24/92/70/602249270.db2.gz MYFAXPFKZCETIM-IAGOWNOFSA-N 0 1 387.436 2.574 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000833286036 602249271 /nfs/dbraw/zinc/24/92/71/602249271.db2.gz MYFAXPFKZCETIM-IAGOWNOFSA-N 0 1 387.436 2.574 20 0 GFADMN C[C@@H](CNC(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000739110712 602287147 /nfs/dbraw/zinc/28/71/47/602287147.db2.gz WSOBQAAMBNMEME-CABCVRRESA-N 0 1 378.473 2.717 20 0 GFADMN O=C([O-])Nc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000740702876 602315567 /nfs/dbraw/zinc/31/55/67/602315567.db2.gz IWGJFRRWZHACNM-IBGZPJMESA-N 0 1 381.476 3.000 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000830805887 602333777 /nfs/dbraw/zinc/33/37/77/602333777.db2.gz CLHYAKABNVAXJT-UHFFFAOYSA-N 0 1 389.315 2.798 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000830805887 602333780 /nfs/dbraw/zinc/33/37/80/602333780.db2.gz CLHYAKABNVAXJT-UHFFFAOYSA-N 0 1 389.315 2.798 20 0 GFADMN Cn1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C(=O)[O-] ZINC000833052272 602364749 /nfs/dbraw/zinc/36/47/49/602364749.db2.gz XCBQPRXECGMLIM-CYBMUJFWSA-N 0 1 376.482 2.819 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)c(C)n1CC(F)(F)F ZINC000740051381 602376932 /nfs/dbraw/zinc/37/69/32/602376932.db2.gz BHVSLGABBPBWAL-CYBMUJFWSA-N 0 1 375.391 2.830 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)c(C)n1CC(F)(F)F ZINC000740051381 602376934 /nfs/dbraw/zinc/37/69/34/602376934.db2.gz BHVSLGABBPBWAL-CYBMUJFWSA-N 0 1 375.391 2.830 20 0 GFADMN C[C@H](NC(=O)[O-])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000739029186 602451255 /nfs/dbraw/zinc/45/12/55/602451255.db2.gz UFILWBXJVAGMLM-KBPBESRZSA-N 0 1 391.468 2.543 20 0 GFADMN C[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000738904612 602562541 /nfs/dbraw/zinc/56/25/41/602562541.db2.gz KFDGPWOBESLOBS-CQSZACIVSA-N 0 1 382.892 2.604 20 0 GFADMN C[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000738904612 602562542 /nfs/dbraw/zinc/56/25/42/602562542.db2.gz KFDGPWOBESLOBS-CQSZACIVSA-N 0 1 382.892 2.604 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737748082 602568912 /nfs/dbraw/zinc/56/89/12/602568912.db2.gz GGTBCLNFHUESLR-IAGOWNOFSA-N 0 1 389.496 2.812 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739061033 602569726 /nfs/dbraw/zinc/56/97/26/602569726.db2.gz WYAXKJVHPRSRIZ-LSTHTHJFSA-N 0 1 381.476 2.817 20 0 GFADMN C[C@@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738915757 602631786 /nfs/dbraw/zinc/63/17/86/602631786.db2.gz IJBLGYDFKLDNSL-WMZOPIPTSA-N 0 1 376.501 2.538 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000740432922 602674264 /nfs/dbraw/zinc/67/42/64/602674264.db2.gz MGSLDVGPLPHZLT-PMACEKPBSA-N 0 1 381.476 2.745 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000739003422 602700571 /nfs/dbraw/zinc/70/05/71/602700571.db2.gz IRNRQVRBQBZSTM-LPHOPBHVSA-N 0 1 388.512 2.729 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738859872 602761461 /nfs/dbraw/zinc/76/14/61/602761461.db2.gz IHYBMTAPDOCKJX-KEYYUXOJSA-N 0 1 391.468 2.557 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738859872 602761462 /nfs/dbraw/zinc/76/14/62/602761462.db2.gz IHYBMTAPDOCKJX-KEYYUXOJSA-N 0 1 391.468 2.557 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1NC(=O)[O-] ZINC000739132585 602824780 /nfs/dbraw/zinc/82/47/80/602824780.db2.gz FQXLVHJNFLXFPM-NEWSRXKRSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739188853 602833078 /nfs/dbraw/zinc/83/30/78/602833078.db2.gz KVVDNDBKFIXASV-PKOBYXMFSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1)C(=O)[O-] ZINC000739661297 602863803 /nfs/dbraw/zinc/86/38/03/602863803.db2.gz SLDPNSXEUKVKKK-IUODEOHRSA-N 0 1 385.386 2.742 20 0 GFADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000739974628 602897068 /nfs/dbraw/zinc/89/70/68/602897068.db2.gz HNCHHCOYJWQFOA-YOEHRIQHSA-N 0 1 377.485 2.631 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739194960 602937640 /nfs/dbraw/zinc/93/76/40/602937640.db2.gz WYOVALUVADDFLU-QGZVFWFLSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736656003 603009930 /nfs/dbraw/zinc/00/99/30/603009930.db2.gz HRNWVCGEUYBKLK-KXBFYZLASA-N 0 1 383.448 2.796 20 0 GFADMN C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736656003 603009934 /nfs/dbraw/zinc/00/99/34/603009934.db2.gz HRNWVCGEUYBKLK-KXBFYZLASA-N 0 1 383.448 2.796 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)C2 ZINC000740391867 603012039 /nfs/dbraw/zinc/01/20/39/603012039.db2.gz DPAFFRTWNOAPDX-UXDRXVOSSA-N 0 1 389.471 2.827 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739060240 603030983 /nfs/dbraw/zinc/03/09/83/603030983.db2.gz WQYSUIAEIUBKMJ-HOTGVXAUSA-N 0 1 390.484 2.543 20 0 GFADMN CN(C(=O)[O-])c1ccc(OC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000827908007 603045672 /nfs/dbraw/zinc/04/56/72/603045672.db2.gz FTZDVAMIVVDSTG-UHFFFAOYSA-N 0 1 383.448 2.524 20 0 GFADMN CC(C)(CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)NC(=O)[O-] ZINC000738733860 603050782 /nfs/dbraw/zinc/05/07/82/603050782.db2.gz ZZPBLRQEDJDXBU-AWEZNQCLSA-N 0 1 387.402 2.832 20 0 GFADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000826892234 603139870 /nfs/dbraw/zinc/13/98/70/603139870.db2.gz FCGKFUHQKXTDKM-INIZCTEOSA-N 0 1 376.501 2.607 20 0 GFADMN C[C@@H]1CCN(C(=O)c2csc(CNC(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000825945570 603227788 /nfs/dbraw/zinc/22/77/88/603227788.db2.gz XYPARDYPXUXYQL-CQSZACIVSA-N 0 1 388.493 2.647 20 0 GFADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C[C@H]1C ZINC000827399909 603387395 /nfs/dbraw/zinc/38/73/95/603387395.db2.gz SOQOPOYDIKRVHC-CABCVRRESA-N 0 1 378.473 2.590 20 0 GFADMN CCOCC[N@H+]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C[C@H]1C ZINC000827399909 603387397 /nfs/dbraw/zinc/38/73/97/603387397.db2.gz SOQOPOYDIKRVHC-CABCVRRESA-N 0 1 378.473 2.590 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000739491967 603399786 /nfs/dbraw/zinc/39/97/86/603399786.db2.gz KGWBXEWCKSKMLD-XJKSGUPXSA-N 0 1 381.448 2.782 20 0 GFADMN C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823677462 603450343 /nfs/dbraw/zinc/45/03/43/603450343.db2.gz LNGKMQWLZHYJTC-CQSZACIVSA-N 0 1 388.468 2.578 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NCC2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825793953 603478786 /nfs/dbraw/zinc/47/87/86/603478786.db2.gz CYTZDIFXVYUEPR-APWZRJJASA-N 0 1 388.512 2.729 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])cc1F ZINC000830818184 603526688 /nfs/dbraw/zinc/52/66/88/603526688.db2.gz IFPKKLZSNIWFFO-UHFFFAOYSA-N 0 1 391.447 2.755 20 0 GFADMN C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)CC(C)(C)CNC(=O)[O-] ZINC000828426325 603544705 /nfs/dbraw/zinc/54/47/05/603544705.db2.gz ACKZGXBVXOJSPW-UHFFFAOYSA-N 0 1 387.234 2.818 20 0 GFADMN C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)CC(C)(C)CNC(=O)[O-] ZINC000828426325 603544709 /nfs/dbraw/zinc/54/47/09/603544709.db2.gz ACKZGXBVXOJSPW-UHFFFAOYSA-N 0 1 387.234 2.818 20 0 GFADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000831258803 603567607 /nfs/dbraw/zinc/56/76/07/603567607.db2.gz AEJVAWOAKUAHAC-CXAGYDPISA-N 0 1 378.448 2.591 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C2CCC(NC(=O)[O-])CC2)C1 ZINC000825783568 603633090 /nfs/dbraw/zinc/63/30/90/603633090.db2.gz JVFWXETZYAQKMC-RYTJFDOTSA-N 0 1 382.549 2.963 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000826066999 603675122 /nfs/dbraw/zinc/67/51/22/603675122.db2.gz IHNSOIFDXAICDQ-FUHWJXTLSA-N 0 1 390.528 2.832 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830085981 603731562 /nfs/dbraw/zinc/73/15/62/603731562.db2.gz WBKNGXLFYKKZFD-HNAYVOBHSA-N 0 1 388.512 2.902 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830085981 603731566 /nfs/dbraw/zinc/73/15/66/603731566.db2.gz WBKNGXLFYKKZFD-HNAYVOBHSA-N 0 1 388.512 2.902 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(C(=O)NCc3ccco3)c1)CC2 ZINC000831725668 603978309 /nfs/dbraw/zinc/97/83/09/603978309.db2.gz GTXRLHMDOOFXSF-MSOLQXFVSA-N 0 1 383.448 2.926 20 0 GFADMN C[C@H](CCNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000824787301 604044237 /nfs/dbraw/zinc/04/42/37/604044237.db2.gz VMBSMFUIBYIIQB-SJLPKXTDSA-N 0 1 376.501 2.586 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000826002827 604044774 /nfs/dbraw/zinc/04/47/74/604044774.db2.gz STQFJFKKQOZTHN-NUJGCVRESA-N 0 1 376.501 2.585 20 0 GFADMN Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000830558630 604060860 /nfs/dbraw/zinc/06/08/60/604060860.db2.gz DKPNECASRMNOFE-PCCBWWKXSA-N 0 1 384.476 2.608 20 0 GFADMN Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CCO1 ZINC000830558630 604060865 /nfs/dbraw/zinc/06/08/65/604060865.db2.gz DKPNECASRMNOFE-PCCBWWKXSA-N 0 1 384.476 2.608 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828258120 604090692 /nfs/dbraw/zinc/09/06/92/604090692.db2.gz BDDFBUHUGIODGR-RTBURBONSA-N 0 1 388.512 2.540 20 0 GFADMN Cc1sc(NC(=O)C[NH+]2CCC(OCCCNC(=O)[O-])CC2)c(C)c1C ZINC000830956089 604101834 /nfs/dbraw/zinc/10/18/34/604101834.db2.gz CUONZIOGVFXVSR-UHFFFAOYSA-N 0 1 383.514 2.751 20 0 GFADMN Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)c(C)c1 ZINC000830356705 604104519 /nfs/dbraw/zinc/10/45/19/604104519.db2.gz ASIQJOUMUCDHCF-INIZCTEOSA-N 0 1 377.485 2.769 20 0 GFADMN COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NC(=O)[O-] ZINC000829591064 604110579 /nfs/dbraw/zinc/11/05/79/604110579.db2.gz AOCSHCXPUJDVPT-CRAIPNDOSA-N 0 1 389.496 2.775 20 0 GFADMN CN(Cc1nc(C(C)(C)NC(=O)[O-])no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 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GFADMN Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])cn1 ZINC000830824872 605640149 /nfs/dbraw/zinc/64/01/49/605640149.db2.gz VEMGFGRQYDZQOI-GOSISDBHSA-N 0 1 377.404 2.792 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])C1 ZINC000825899222 605650053 /nfs/dbraw/zinc/65/00/53/605650053.db2.gz AVYVLULETJHMAZ-BRWVUGGUSA-N 0 1 383.558 2.585 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])C1 ZINC000825899230 605650073 /nfs/dbraw/zinc/65/00/73/605650073.db2.gz AVYVLULETJHMAZ-ZACQAIPSSA-N 0 1 383.558 2.585 20 0 GFADMN O=C([O-])NC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc2ccccc2c1 ZINC000834206473 605655741 /nfs/dbraw/zinc/65/57/41/605655741.db2.gz QZPKDCWLKDJJDL-HKUYNNGSSA-N 0 1 382.464 2.684 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000834028466 605685766 /nfs/dbraw/zinc/68/57/66/605685766.db2.gz OEZFSOLKHBOYCK-IJXRJRJASA-N 0 1 385.508 2.761 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)[C@H](C)C1 ZINC000827399395 605692044 /nfs/dbraw/zinc/69/20/44/605692044.db2.gz GALPEMDYDRPKOY-QAPCUYQASA-N 0 1 377.485 2.952 20 0 GFADMN COC(=O)[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000833705201 605696541 /nfs/dbraw/zinc/69/65/41/605696541.db2.gz CEFRHNPMGRSYEG-WFASDCNBSA-N 0 1 389.370 2.813 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 ZINC000832386939 605713905 /nfs/dbraw/zinc/71/39/05/605713905.db2.gz SYFCQXRRWGEOBR-UHFFFAOYSA-N 0 1 393.447 2.900 20 0 GFADMN CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000833652350 605728104 /nfs/dbraw/zinc/72/81/04/605728104.db2.gz SCXQSPRWTBWTDU-DZGCQCFKSA-N 0 1 399.871 2.976 20 0 GFADMN CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000833652350 605728108 /nfs/dbraw/zinc/72/81/08/605728108.db2.gz SCXQSPRWTBWTDU-DZGCQCFKSA-N 0 1 399.871 2.976 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)NCC2(c3cccs3)CCCCC2)CC1 ZINC000832382098 605735688 /nfs/dbraw/zinc/73/56/88/605735688.db2.gz QOTQEIGBBGEUPY-UHFFFAOYSA-N 0 1 379.526 2.798 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000826057114 605861291 /nfs/dbraw/zinc/86/12/91/605861291.db2.gz HALHUJIDCQRWHT-NNFUDEMPSA-N 0 1 389.496 2.557 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000833831038 605881219 /nfs/dbraw/zinc/88/12/19/605881219.db2.gz MIQQFTFGNCTCNK-GDBMZVCRSA-N 0 1 379.476 2.931 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000833827971 605889320 /nfs/dbraw/zinc/88/93/20/605889320.db2.gz CKLCKLKMQJWAON-DLBZAZTESA-N 0 1 388.512 2.984 20 0 GFADMN O=C([O-])N1CCc2cccc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)c21 ZINC000834120295 605898354 /nfs/dbraw/zinc/89/83/54/605898354.db2.gz KZYJMFBJBHYGPS-FQEVSTJZSA-N 0 1 381.476 2.584 20 0 GFADMN O=C([O-])N1CCc2cccc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c21 ZINC000834120295 605898355 /nfs/dbraw/zinc/89/83/55/605898355.db2.gz KZYJMFBJBHYGPS-FQEVSTJZSA-N 0 1 381.476 2.584 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830890 605898891 /nfs/dbraw/zinc/89/88/91/605898891.db2.gz LFOBGTHNFSNYQH-MXWKQRLJSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833830890 605898894 /nfs/dbraw/zinc/89/88/94/605898894.db2.gz LFOBGTHNFSNYQH-MXWKQRLJSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000833831967 605911560 /nfs/dbraw/zinc/91/15/60/605911560.db2.gz QZPQXBKMKFQQON-JMSVASOKSA-N 0 1 385.386 2.789 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000834025981 605998826 /nfs/dbraw/zinc/99/88/26/605998826.db2.gz GWKMTYORLDXSTC-DLBZAZTESA-N 0 1 379.526 2.651 20 0 GFADMN CC[N@@H+](CCC1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)CC1)CC(C)C ZINC000833858369 606064007 /nfs/dbraw/zinc/06/40/07/606064007.db2.gz ZGVGORMDAGPSLA-UHFFFAOYSA-N 0 1 377.489 2.787 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@H](c2ccccc2C)C1 ZINC000821651649 606319197 /nfs/dbraw/zinc/31/91/97/606319197.db2.gz CZTGTNRITNNAMG-HKUYNNGSSA-N 0 1 377.448 2.879 20 0 GFADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821649974 606336450 /nfs/dbraw/zinc/33/64/50/606336450.db2.gz HLRLFRWOIVTIEU-KYNGSXCRSA-N 0 1 377.448 2.959 20 0 GFADMN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000820650665 606434244 /nfs/dbraw/zinc/43/42/44/606434244.db2.gz XGZOEUOYHLQXCF-RBZFPXEDSA-N 0 1 397.483 2.584 20 0 GFADMN CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000821180763 606524445 /nfs/dbraw/zinc/52/44/45/606524445.db2.gz HBMFAJBVEOIDEN-HNNXBMFYSA-N 0 1 384.509 2.611 20 0 GFADMN CC[NH+](CC)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000821180763 606524447 /nfs/dbraw/zinc/52/44/47/606524447.db2.gz HBMFAJBVEOIDEN-HNNXBMFYSA-N 0 1 384.509 2.611 20 0 GFADMN CCC1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000820962146 606533893 /nfs/dbraw/zinc/53/38/93/606533893.db2.gz KTKCRVUHKMBBKJ-UHFFFAOYSA-N 0 1 397.527 2.664 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596186 606577969 /nfs/dbraw/zinc/57/79/69/606577969.db2.gz BYEKAWWKRAHWNH-OAHLLOKOSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596186 606577970 /nfs/dbraw/zinc/57/79/70/606577970.db2.gz BYEKAWWKRAHWNH-OAHLLOKOSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596186 606577971 /nfs/dbraw/zinc/57/79/71/606577971.db2.gz BYEKAWWKRAHWNH-OAHLLOKOSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596186 606577972 /nfs/dbraw/zinc/57/79/72/606577972.db2.gz BYEKAWWKRAHWNH-OAHLLOKOSA-N 0 1 382.493 2.522 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877046 606713844 /nfs/dbraw/zinc/71/38/44/606713844.db2.gz NPXCVDNCEGMRQQ-CZUORRHYSA-N 0 1 380.427 2.822 20 0 GFADMN C[C@]1(c2ccccc2)CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635998 606717789 /nfs/dbraw/zinc/71/77/89/606717789.db2.gz OJPNGPLDOFEAFX-UGKGYDQZSA-N 0 1 388.475 2.636 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N2CCCN(C)CC2)cc1 ZINC000822138150 606776069 /nfs/dbraw/zinc/77/60/69/606776069.db2.gz ZTVUOIAHJARZKX-UHFFFAOYSA-N 0 1 392.463 2.745 20 0 GFADMN CN(Cc1ccc(Br)s1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609827 606848736 /nfs/dbraw/zinc/84/87/36/606848736.db2.gz NRPUSQNTJZVHEV-CYBMUJFWSA-N 0 1 394.298 2.856 20 0 GFADMN Cc1csc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)n1 ZINC000822414632 606895848 /nfs/dbraw/zinc/89/58/48/606895848.db2.gz NVXNHPCNTIUFOF-HNNXBMFYSA-N 0 1 399.524 2.611 20 0 GFADMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000820433520 606996743 /nfs/dbraw/zinc/99/67/43/606996743.db2.gz YKONVSWUGPZQHJ-LBPRGKRZSA-N 0 1 380.843 2.952 20 0 GFADMN C[C@H]1CC[C@@H](CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683767 607022970 /nfs/dbraw/zinc/02/29/70/607022970.db2.gz HCFBGXXWHKHUBR-FUHWJXTLSA-N 0 1 382.512 2.727 20 0 GFADMN CCc1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825705222 607814583 /nfs/dbraw/zinc/81/45/83/607814583.db2.gz ZCPRDHYCFQAGNP-CQSZACIVSA-N 0 1 385.493 2.554 20 0 GFADMN CC(C)N(CCc1nccs1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000824293551 607831839 /nfs/dbraw/zinc/83/18/39/607831839.db2.gz RMTLSEUTBLFHGD-UHFFFAOYSA-N 0 1 396.480 2.826 20 0 GFADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(-c4nn[nH]n4)c3)[nH]2)c1 ZINC000161087240 607879311 /nfs/dbraw/zinc/87/93/11/607879311.db2.gz AUORWXUMNBYMHV-UHFFFAOYSA-N 0 1 375.392 2.826 20 0 GFADMN CCc1nc([C@@H](C)Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)n[nH]1 ZINC000825744584 608099432 /nfs/dbraw/zinc/09/94/32/608099432.db2.gz DDPRHYYZTTUYQA-LLVKDONJSA-N 0 1 388.439 2.830 20 0 GFADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000824358149 608105466 /nfs/dbraw/zinc/10/54/66/608105466.db2.gz ADCDDDAITCEQMV-QMMMGPOBSA-N 0 1 375.824 2.644 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826229425 608108973 /nfs/dbraw/zinc/10/89/73/608108973.db2.gz DHMVXQSSCLXYPS-ZUZCIYMTSA-N 0 1 396.476 2.743 20 0 GFADMN Cc1cc(C)cc([C@@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264187 608129581 /nfs/dbraw/zinc/12/95/81/608129581.db2.gz FOCFFMHLLCNOQV-LJQANCHMSA-N 0 1 390.491 2.589 20 0 GFADMN CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000824822208 608135125 /nfs/dbraw/zinc/13/51/25/608135125.db2.gz AXYMEICUROCUIX-GOSISDBHSA-N 0 1 376.461 2.587 20 0 GFADMN CC(C)C[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255595 608258046 /nfs/dbraw/zinc/25/80/46/608258046.db2.gz PHHBKDCNDDGYDT-UHFFFAOYSA-N 0 1 394.479 2.573 20 0 GFADMN C[C@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000824970418 608311313 /nfs/dbraw/zinc/31/13/13/608311313.db2.gz XCVLUCZXSZXLTI-IRXDYDNUSA-N 0 1 390.491 2.531 20 0 GFADMN Clc1ccccc1C[NH+]1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826353091 608416053 /nfs/dbraw/zinc/41/60/53/608416053.db2.gz ASGIRQOUEJWUKF-UHFFFAOYSA-N 0 1 384.875 2.634 20 0 GFADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824324406 608437798 /nfs/dbraw/zinc/43/77/98/608437798.db2.gz NTEGJAHGTGAGFA-CQSZACIVSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(OC(F)F)cc1 ZINC000824562268 608444170 /nfs/dbraw/zinc/44/41/70/608444170.db2.gz DOBCHCYRQTVHTE-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826184486 608449829 /nfs/dbraw/zinc/44/98/29/608449829.db2.gz YVENBFSZQLAGHR-LBPRGKRZSA-N 0 1 399.451 2.752 20 0 GFADMN C[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555102 608466713 /nfs/dbraw/zinc/46/67/13/608466713.db2.gz USFKEFBSQWBJBA-HUUCEWRRSA-N 0 1 376.464 2.885 20 0 GFADMN CCCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825341710 608468937 /nfs/dbraw/zinc/46/89/37/608468937.db2.gz IKJZXJRQXYWOGK-HNNXBMFYSA-N 0 1 394.479 2.623 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1nc2ccccc2s1 ZINC000826412163 608531752 /nfs/dbraw/zinc/53/17/52/608531752.db2.gz DNPKERLBXNEAPJ-UHFFFAOYSA-N 0 1 391.460 2.694 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824884341 608845737 /nfs/dbraw/zinc/84/57/37/608845737.db2.gz NLAYMGQTIYLYSJ-VXGBXAGGSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824884341 608845739 /nfs/dbraw/zinc/84/57/39/608845739.db2.gz NLAYMGQTIYLYSJ-VXGBXAGGSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824884341 608845742 /nfs/dbraw/zinc/84/57/42/608845742.db2.gz NLAYMGQTIYLYSJ-VXGBXAGGSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824884341 608845745 /nfs/dbraw/zinc/84/57/45/608845745.db2.gz NLAYMGQTIYLYSJ-VXGBXAGGSA-N 0 1 378.502 2.663 20 0 GFADMN Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289549 609152346 /nfs/dbraw/zinc/15/23/46/609152346.db2.gz FINOLEBYLFPCDV-FZKQIMNGSA-N 0 1 380.427 2.770 20 0 GFADMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826468064 609157292 /nfs/dbraw/zinc/15/72/92/609157292.db2.gz XYPGDJBTTHYLOX-UHFFFAOYSA-N 0 1 399.208 2.863 20 0 GFADMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000825848861 609290395 /nfs/dbraw/zinc/29/03/95/609290395.db2.gz GSSYNTGYBFRBNU-INIZCTEOSA-N 0 1 388.834 2.692 20 0 GFADMN C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649444 609313958 /nfs/dbraw/zinc/31/39/58/609313958.db2.gz MCNFUDQYPKWFNH-UONOGXRCSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649444 609313960 /nfs/dbraw/zinc/31/39/60/609313960.db2.gz MCNFUDQYPKWFNH-UONOGXRCSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824649444 609313961 /nfs/dbraw/zinc/31/39/61/609313961.db2.gz MCNFUDQYPKWFNH-UONOGXRCSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824649444 609313963 /nfs/dbraw/zinc/31/39/63/609313963.db2.gz MCNFUDQYPKWFNH-UONOGXRCSA-N 0 1 378.484 2.875 20 0 GFADMN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584539 609323112 /nfs/dbraw/zinc/32/31/12/609323112.db2.gz BUSYRLIOCYDZMV-YJBOKZPZSA-N 0 1 396.470 2.557 20 0 GFADMN C[C@@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627551 609342623 /nfs/dbraw/zinc/34/26/23/609342623.db2.gz YMAKOBOBUONLGJ-SNVBAGLBSA-N 0 1 382.378 2.781 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546401 609411940 /nfs/dbraw/zinc/41/19/40/609411940.db2.gz ISHIUXUGKOXGAG-ACJLOTCBSA-N 0 1 380.427 2.852 20 0 GFADMN OC[C@@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1 ZINC000826508013 609427583 /nfs/dbraw/zinc/42/75/83/609427583.db2.gz BFCVHRFYXUOCGM-OAHLLOKOSA-N 0 1 392.232 2.592 20 0 GFADMN OC[C@@H](NCc1ccc(F)cc1-c1nn[nH]n1)c1cccc(Br)c1 ZINC000826508697 609428154 /nfs/dbraw/zinc/42/81/54/609428154.db2.gz ZJBWQYNCNVCAOZ-OAHLLOKOSA-N 0 1 392.232 2.592 20 0 GFADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826457013 609442451 /nfs/dbraw/zinc/44/24/51/609442451.db2.gz IQUQKWLJTGQCRI-UHFFFAOYSA-N 0 1 397.402 2.899 20 0 GFADMN C[C@@H](CN(C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1)c1nccs1 ZINC000824412768 609501756 /nfs/dbraw/zinc/50/17/56/609501756.db2.gz FLZYQCNZPOHKNL-ZDUSSCGKSA-N 0 1 380.481 2.880 20 0 GFADMN Clc1ccccc1CCCN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826353526 609515698 /nfs/dbraw/zinc/51/56/98/609515698.db2.gz SUINHWJAMBFESM-UHFFFAOYSA-N 0 1 383.887 2.670 20 0 GFADMN c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nnn[n-]5)n4)[C@H]3C2)cc1 ZINC000826521168 609595663 /nfs/dbraw/zinc/59/56/63/609595663.db2.gz CFCVDJZSEFCKHP-OKZBNKHCSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nnn[n-]5)n4)[C@H]3C2)cc1 ZINC000826521168 609595665 /nfs/dbraw/zinc/59/56/65/609595665.db2.gz CFCVDJZSEFCKHP-OKZBNKHCSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[n-]n5)n4)[C@H]3C2)cc1 ZINC000826521168 609595667 /nfs/dbraw/zinc/59/56/67/609595667.db2.gz CFCVDJZSEFCKHP-OKZBNKHCSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[n-]n5)n4)[C@H]3C2)cc1 ZINC000826521168 609595669 /nfs/dbraw/zinc/59/56/69/609595669.db2.gz CFCVDJZSEFCKHP-OKZBNKHCSA-N 0 1 375.480 2.974 20 0 GFADMN COCc1nc2n(n1)C[C@H](N[C@H](c1nc(Br)cs1)C1CC1)CC2 ZINC000817580333 660201541 /nfs/dbraw/zinc/20/15/41/660201541.db2.gz INJDKSKUMRGHNP-YGRLFVJLSA-N 0 1 398.330 2.699 20 0 GFADMN CC[C@@H]1C[C@H](NC(=O)c2cccc(I)c2O)CCO1 ZINC000817643159 660203862 /nfs/dbraw/zinc/20/38/62/660203862.db2.gz JLJURBVQUCQRIP-NXEZZACHSA-N 0 1 375.206 2.684 20 0 GFADMN CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)CSc1n[nH]c(=S)s1 ZINC000817658775 660204686 /nfs/dbraw/zinc/20/46/86/660204686.db2.gz KXRBLFNMWGBYIL-UHFFFAOYSA-N 0 1 392.572 2.729 20 0 GFADMN CN(C)C(=O)OC1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000818707651 660231922 /nfs/dbraw/zinc/23/19/22/660231922.db2.gz SCENLRVAAXZVBF-UHFFFAOYSA-N 0 1 395.257 2.628 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc(F)cc2)s1 ZINC000818945842 660236268 /nfs/dbraw/zinc/23/62/68/660236268.db2.gz RFPOJYAXXMEKOW-MRXNPFEDSA-N 0 1 386.514 2.741 20 0 GFADMN CN(C[C@H](O)CNCc1sccc1Br)C(=O)OC(C)(C)C ZINC000818984779 660241711 /nfs/dbraw/zinc/24/17/11/660241711.db2.gz HAJSJSDWEPQQBM-SNVBAGLBSA-N 0 1 379.320 2.828 20 0 GFADMN CC(C)(C)OC(=O)NCC[C@H](O)CNCc1ccc(Br)cc1F ZINC000819052990 660244761 /nfs/dbraw/zinc/24/47/61/660244761.db2.gz HQZGDKDQEWBFNK-ZDUSSCGKSA-N 0 1 391.281 2.954 20 0 GFADMN O=C(C=C[C@@H]1CCCO1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000819222122 660250572 /nfs/dbraw/zinc/25/05/72/660250572.db2.gz NXJZAIIURYUABG-GWJCSSMESA-N 0 1 377.242 2.586 20 0 GFADMN O=C(/C=C/[C@@H]1CCCO1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000819222122 660250574 /nfs/dbraw/zinc/25/05/74/660250574.db2.gz NXJZAIIURYUABG-GWJCSSMESA-N 0 1 377.242 2.586 20 0 GFADMN O=C(c1sc(N2CCCC2)nc1Cl)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000819965908 660276495 /nfs/dbraw/zinc/27/64/95/660276495.db2.gz ICNLOOKQEFUSFC-VIFPVBQESA-N 0 1 383.861 2.505 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000820217518 660285486 /nfs/dbraw/zinc/28/54/86/660285486.db2.gz NGRKRDULEVCOJE-GHMZBOCLSA-N 0 1 379.810 2.983 20 0 GFADMN C[C@H]1CN(CCCNC(=O)c2cc(Cl)nc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000820217520 660285488 /nfs/dbraw/zinc/28/54/88/660285488.db2.gz NGRKRDULEVCOJE-QWRGUYRKSA-N 0 1 379.810 2.983 20 0 GFADMN COc1cc(I)ccc1C(=O)N(C)Cc1cn[nH]c1C ZINC000824046100 660384509 /nfs/dbraw/zinc/38/45/09/660384509.db2.gz INLCTLJZKMRLJH-UHFFFAOYSA-N 0 1 385.205 2.604 20 0 GFADMN CC(C)(C)n1ncc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c1Br ZINC000824380159 660391053 /nfs/dbraw/zinc/39/10/53/660391053.db2.gz NAAGTJOEFRJXEN-UHFFFAOYSA-N 0 1 390.245 2.833 20 0 GFADMN CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2cc(C)c(Br)o2)C1 ZINC000825295913 660418964 /nfs/dbraw/zinc/41/89/64/660418964.db2.gz RIBQMZDZSJYSEQ-JTQLQIEISA-N 0 1 396.241 2.880 20 0 GFADMN CC(C)COC[C@H](O)CN1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335669 661860934 /nfs/dbraw/zinc/86/09/34/661860934.db2.gz JYKKMNOGUPYFLZ-UPJWGTAASA-N 0 1 399.167 2.848 20 0 GFADMN Cc1cc([C@@H](N)CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc(Cl)n1 ZINC000827905901 660522548 /nfs/dbraw/zinc/52/25/48/660522548.db2.gz CGXJOFNTZZFMIG-HNNXBMFYSA-N 0 1 381.885 2.617 20 0 GFADMN CO[C@H](C)c1noc(CN2CCCN(C[C@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005978 660526073 /nfs/dbraw/zinc/52/60/73/660526073.db2.gz DTOPIQWDZSPQIL-DOMZBBRYSA-N 0 1 377.316 2.869 20 0 GFADMN COC[C@@H](NC(=O)CCSc1nnc(C)[nH]1)c1cccc(Br)c1 ZINC000828112742 660534032 /nfs/dbraw/zinc/53/40/32/660534032.db2.gz QYGZAVYASZCJBN-CYBMUJFWSA-N 0 1 399.314 2.862 20 0 GFADMN CN(CCn1cc(Br)cn1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828548327 660556139 /nfs/dbraw/zinc/55/61/39/660556139.db2.gz AAVJCZYIVCRLSU-OAHLLOKOSA-N 0 1 385.306 2.731 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc(Br)cc1F ZINC000829291459 660587740 /nfs/dbraw/zinc/58/77/40/660587740.db2.gz AXNXJVAZOICISV-UHFFFAOYSA-N 0 1 385.277 2.773 20 0 GFADMN O=C(Nc1nc2cccc(Br)c2[nH]1)[C@H]1CCCN(C2CC2)C1=O ZINC000829797498 660614561 /nfs/dbraw/zinc/61/45/61/660614561.db2.gz JXMZEKZTSAQKPY-SNVBAGLBSA-N 0 1 377.242 2.665 20 0 GFADMN Cc1conc1NC(=O)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000627910745 652442314 /nfs/dbraw/zinc/44/23/14/652442314.db2.gz PCFSDWUTMCPPNP-ZDUSSCGKSA-N 0 1 385.251 2.647 20 0 GFADMN Cc1conc1NC(=O)C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000627910744 652442369 /nfs/dbraw/zinc/44/23/69/652442369.db2.gz PCFSDWUTMCPPNP-CYBMUJFWSA-N 0 1 385.251 2.647 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@H]1CCCC1(F)F)c1cc(F)ccc1F ZINC000830357816 660650279 /nfs/dbraw/zinc/65/02/79/660650279.db2.gz WZKGJIOOLHGZDQ-NOZJJQNGSA-N 0 1 383.363 2.534 20 0 GFADMN CC(C)(C)OC(=O)COCC(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000830428030 660655558 /nfs/dbraw/zinc/65/55/58/660655558.db2.gz AGGLMKIDIFSUJD-UHFFFAOYSA-N 0 1 399.241 2.727 20 0 GFADMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CCN1C ZINC000830668388 660671104 /nfs/dbraw/zinc/67/11/04/660671104.db2.gz QNWXBOXENUCKFE-NXEZZACHSA-N 0 1 396.738 2.601 20 0 GFADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)CCN1C ZINC000830668391 660671440 /nfs/dbraw/zinc/67/14/40/660671440.db2.gz QNWXBOXENUCKFE-ZJUUUORDSA-N 0 1 396.738 2.601 20 0 GFADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4c[nH]nc4Cl)C3)[nH]c2c1 ZINC000831028701 660691496 /nfs/dbraw/zinc/69/14/96/660691496.db2.gz TXNVKOAFXCSUCQ-LLVKDONJSA-N 0 1 379.873 2.816 20 0 GFADMN O=S(=O)(C=Cc1ccccc1Br)NCc1n[nH]c(C2CC2)n1 ZINC000831838903 660731149 /nfs/dbraw/zinc/73/11/49/660731149.db2.gz OITRVSRJXPIOBY-FPLPWBNLSA-N 0 1 383.271 2.535 20 0 GFADMN O=S(=O)(C=Cc1cccc(Br)c1)NCc1n[nH]c(C2CC2)n1 ZINC000831836910 660730611 /nfs/dbraw/zinc/73/06/11/660730611.db2.gz AMTCYHAHZXXNGD-VOTSOKGWSA-N 0 1 383.271 2.535 20 0 GFADMN CC1=CCN(CCNC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000832207265 660763501 /nfs/dbraw/zinc/76/35/01/660763501.db2.gz LUAWANBRHONILS-LBPRGKRZSA-N 0 1 380.124 2.651 20 0 GFADMN O=C(NCC1(n2cc(Br)cn2)CC1)c1cc2[nH]cnc2cc1F ZINC000832250887 660768866 /nfs/dbraw/zinc/76/88/66/660768866.db2.gz AYJVUQDJYSSZLH-UHFFFAOYSA-N 0 1 378.205 2.580 20 0 GFADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C1=NC(=O)N(C)C1 ZINC000832375030 660776436 /nfs/dbraw/zinc/77/64/36/660776436.db2.gz QAQWVKYMFBUUDX-AWEZNQCLSA-N 0 1 396.285 2.656 20 0 GFADMN Cn1c(Cl)ncc1S(=O)(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000832574934 660787276 /nfs/dbraw/zinc/78/72/76/660787276.db2.gz UDGCIGNIPUCDFR-UHFFFAOYSA-N 0 1 376.954 2.595 20 0 GFADMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000832760693 660798990 /nfs/dbraw/zinc/79/89/90/660798990.db2.gz DHNBUAUHZFQNHT-LLVKDONJSA-N 0 1 396.738 2.601 20 0 GFADMN CCc1nc(CNC(=O)COc2ccc(C3SCCCS3)cc2)n[nH]1 ZINC000832980679 660803964 /nfs/dbraw/zinc/80/39/64/660803964.db2.gz WXDLEDLJAVXBKC-UHFFFAOYSA-N 0 1 378.523 2.931 20 0 GFADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000836343408 660900394 /nfs/dbraw/zinc/90/03/94/660900394.db2.gz HSBMJBMDRCHCBK-ZBFHGGJFSA-N 0 1 379.376 2.533 20 0 GFADMN Cc1c(Br)nccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000836685643 660929246 /nfs/dbraw/zinc/92/92/46/660929246.db2.gz NWSWRKYPINXNEY-ZDUSSCGKSA-N 0 1 385.306 2.631 20 0 GFADMN CN1CCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cn2)CC1 ZINC000010940415 654494828 /nfs/dbraw/zinc/49/48/28/654494828.db2.gz SLNPCIUZWNEGPC-UHFFFAOYSA-N 0 1 375.929 2.973 20 0 GFADMN CC[C@@H](C)N1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000837006314 660964751 /nfs/dbraw/zinc/96/47/51/660964751.db2.gz DFNMFFLOGLLSEM-CYBMUJFWSA-N 0 1 392.301 2.586 20 0 GFADMN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc21 ZINC000026542685 654557515 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COCCc1nc(C)c([C@H](C)NCC(=O)N2CCc3sccc3C2)s1 ZINC000367396210 563843051 /nfs/dbraw/zinc/84/30/51/563843051.db2.gz HPSZZVATXIJEAB-LBPRGKRZSA-N 0 1 379.551 2.937 20 0 GFADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000445095822 563843243 /nfs/dbraw/zinc/84/32/43/563843243.db2.gz WHENZGOZARORAE-UHFFFAOYSA-N 0 1 384.527 2.514 20 0 GFADMN COC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(Br)c1 ZINC000367439087 563844789 /nfs/dbraw/zinc/84/47/89/563844789.db2.gz RJRDVONTASIXAJ-GDBMZVCRSA-N 0 1 395.297 2.726 20 0 GFADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367452878 563845013 /nfs/dbraw/zinc/84/50/13/563845013.db2.gz WVFYLQQBZZUNNR-AEFFLSMTSA-N 0 1 394.313 2.522 20 0 GFADMN Cc1cccc(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)c1Br ZINC000416544829 563846392 /nfs/dbraw/zinc/84/63/92/563846392.db2.gz PLVMCXYRPBYLCQ-UHFFFAOYSA-N 0 1 387.303 2.652 20 0 GFADMN C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000416564916 563849315 /nfs/dbraw/zinc/84/93/15/563849315.db2.gz SHTGJOUMMNLIGB-NSHDSACASA-N 0 1 379.295 2.598 20 0 GFADMN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccc(C)c(Br)c1 ZINC000445810413 563854628 /nfs/dbraw/zinc/85/46/28/563854628.db2.gz ZMHNXYSHKILWNU-INIZCTEOSA-N 0 1 398.345 2.740 20 0 GFADMN CCC[C@]1(C)C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1 ZINC000446024778 563856737 /nfs/dbraw/zinc/85/67/37/563856737.db2.gz WAVMQGDRANPVPD-QGZVFWFLSA-N 0 1 382.302 2.768 20 0 GFADMN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000368000360 563861459 /nfs/dbraw/zinc/86/14/59/563861459.db2.gz YFBMSOMAMQVNJY-JTQLQIEISA-N 0 1 385.212 2.518 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(Br)nn1C ZINC000368461779 563871604 /nfs/dbraw/zinc/87/16/04/563871604.db2.gz KKHJJBVDEFNLRE-CQSZACIVSA-N 0 1 391.313 2.919 20 0 GFADMN CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000447011044 563872040 /nfs/dbraw/zinc/87/20/40/563872040.db2.gz OREVJRSFMPXRPP-UHFFFAOYSA-N 0 1 396.515 2.684 20 0 GFADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368959597 563883083 /nfs/dbraw/zinc/88/30/83/563883083.db2.gz XDJAMHPGHNTCNM-QWHCGFSZSA-N 0 1 375.296 2.676 20 0 GFADMN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368976661 563883284 /nfs/dbraw/zinc/88/32/84/563883284.db2.gz XYVGNASQVYAZKV-UONOGXRCSA-N 0 1 379.551 2.692 20 0 GFADMN Cn1cc([C@H]([NH2+]Cc2cccc(Br)c2OC(F)F)C(=O)[O-])cn1 ZINC000417591183 563885583 /nfs/dbraw/zinc/88/55/83/563885583.db2.gz FWJXUGZQCNIIBM-NSHDSACASA-N 0 1 390.184 2.700 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)NC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000447774562 563886038 /nfs/dbraw/zinc/88/60/38/563886038.db2.gz CDNICCXKJLUUID-ZDUSSCGKSA-N 0 1 385.339 2.918 20 0 GFADMN OCC1(NCc2ccc(F)cc2I)CCSCC1 ZINC000418090192 563898680 /nfs/dbraw/zinc/89/86/80/563898680.db2.gz NIPFPSOQPQNARW-UHFFFAOYSA-N 0 1 381.254 2.778 20 0 GFADMN Cc1ccc(Br)cc1CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000448628856 563899370 /nfs/dbraw/zinc/89/93/70/563899370.db2.gz UJGWMDKNJUUHQE-GASCZTMLSA-N 0 1 383.330 2.916 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C)C[C@@H]1CCCCO1 ZINC000449020943 563905466 /nfs/dbraw/zinc/90/54/66/563905466.db2.gz RGZXBZOLINKRKW-BBRMVZONSA-N 0 1 399.329 2.963 20 0 GFADMN CCOC(=O)c1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)[nH]c1C ZINC000449101096 563906837 /nfs/dbraw/zinc/90/68/37/563906837.db2.gz TXNNNDPKVLPQND-UHFFFAOYSA-N 0 1 384.885 2.717 20 0 GFADMN CC(C)C[C@H](NCc1cccc(S(C)(=O)=O)c1)C(=O)Nc1nccs1 ZINC000449211627 563908271 /nfs/dbraw/zinc/90/82/71/563908271.db2.gz ICJSGPRDUUFGHR-HNNXBMFYSA-N 0 1 381.523 2.690 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@H](CO)CC1 ZINC000449345201 564181646 /nfs/dbraw/zinc/18/16/46/564181646.db2.gz UPTXZDAETXXWLP-KGLIPLIRSA-N 0 1 399.329 2.557 20 0 GFADMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000538197143 564184104 /nfs/dbraw/zinc/18/41/04/564184104.db2.gz CTHVHGVXOQELER-HUBLWGQQSA-N 0 1 378.332 2.938 20 0 GFADMN O[C@@H]1C[C@H]([C@H]2CCCOC2)N(Cc2cccc(I)c2)C1 ZINC000449429239 564185586 /nfs/dbraw/zinc/18/55/86/564185586.db2.gz 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CCN1C[C@H](C)N(C(=O)c2c(F)cccc2I)[C@@H](C)C1 ZINC000563746428 564205150 /nfs/dbraw/zinc/20/51/50/564205150.db2.gz GGHVUVOMDBGIGU-QWRGUYRKSA-N 0 1 390.240 2.985 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(I)ccc1Cl ZINC000471806572 564205203 /nfs/dbraw/zinc/20/52/03/564205203.db2.gz ZMARHUFVVDJSNP-SNVBAGLBSA-N 0 1 390.652 2.911 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cn1 ZINC000506725356 564211003 /nfs/dbraw/zinc/21/10/03/564211003.db2.gz GYNPVSKZGKAWMB-UHFFFAOYSA-N 0 1 380.491 2.907 20 0 GFADMN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000539194374 564213361 /nfs/dbraw/zinc/21/33/61/564213361.db2.gz PXGCLWQJHIKHME-UHFFFAOYSA-N 0 1 393.845 2.530 20 0 GFADMN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507007315 564216563 /nfs/dbraw/zinc/21/65/63/564216563.db2.gz KGKUUZUTAUCBSE-UHFFFAOYSA-N 0 1 388.898 2.859 20 0 GFADMN COc1cc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)ccc1F ZINC000564059845 564218438 /nfs/dbraw/zinc/21/84/38/564218438.db2.gz NJQJPDRGFCPUGH-UHFFFAOYSA-N 0 1 386.788 2.619 20 0 GFADMN C[C@@H](CNC(=O)Nc1ccncc1Br)N1CCc2ccccc2C1 ZINC000507158724 564220115 /nfs/dbraw/zinc/22/01/15/564220115.db2.gz JQZPAKFSJKCDJB-ZDUSSCGKSA-N 0 1 389.297 2.834 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc(C)cc2Cl)cc(S(C)(=O)=O)c1 ZINC000507584618 564233763 /nfs/dbraw/zinc/23/37/63/564233763.db2.gz SFKNYSKMUXFQOI-UHFFFAOYSA-N 0 1 389.882 2.861 20 0 GFADMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2)cc(S(C)(=O)=O)c1 ZINC000507616886 564234516 /nfs/dbraw/zinc/23/45/16/564234516.db2.gz MFHGQVXGAAKYPV-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN O=C1N=NC([C@H]2CCCN(c3ncnc4cc(Br)ccc43)C2)O1 ZINC000450495531 564235452 /nfs/dbraw/zinc/23/54/52/564235452.db2.gz ASHCSKBEGOLTFD-VIFPVBQESA-N 0 1 376.214 2.865 20 0 GFADMN CN(CCc1cnccn1)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000539990515 564236044 /nfs/dbraw/zinc/23/60/44/564236044.db2.gz HDRQWDQRUBJDKH-UHFFFAOYSA-N 0 1 386.253 2.944 20 0 GFADMN CCOC(=O)c1nn(C)cc1CNC[C@@H](C)Oc1cccc(Br)c1 ZINC000473123386 564240248 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C[N@H+]1C[C@@H](NC(=O)c2cccc(Br)c2[O-])[C@@H](c2ccccc2)C1 ZINC000540900449 564259561 /nfs/dbraw/zinc/25/95/61/564259561.db2.gz WOHRIEZQBDDRHH-GDBMZVCRSA-N 0 1 375.266 2.982 20 0 GFADMN COc1c(O)cccc1CNCCNC(=O)c1ccc(Br)cc1 ZINC000540916141 564260473 /nfs/dbraw/zinc/26/04/73/564260473.db2.gz OOKOTKNJFQIWEG-UHFFFAOYSA-N 0 1 379.254 2.683 20 0 GFADMN O=S1(=O)NC(CSc2nc3cc(F)c(F)cc3[nH]2)=Nc2ccccc21 ZINC000508519241 564264763 /nfs/dbraw/zinc/26/47/63/564264763.db2.gz CLCKQKLLXKRCBY-UHFFFAOYSA-N 0 1 380.401 2.955 20 0 GFADMN C[C@](CO)(NC[C@H](O)COc1c(Cl)cccc1Cl)c1cccc(O)c1 ZINC000451039216 564266109 /nfs/dbraw/zinc/26/61/09/564266109.db2.gz OXGGEZZKQBEGDJ-KBXCAEBGSA-N 0 1 386.275 2.936 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000565112608 564266957 /nfs/dbraw/zinc/26/69/57/564266957.db2.gz WCPIDZRFXJGZBZ-JOYOIKCWSA-N 0 1 382.176 2.574 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000565112608 564266960 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COC[C@@]1(C(=O)[O-])CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000635019251 566189279 /nfs/dbraw/zinc/18/92/79/566189279.db2.gz BPIDKIIDVXWNHI-WMLDXEAASA-N 0 1 387.263 2.522 20 0 GFADMN O=C(Nc1cscc1Cl)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000635034644 566190813 /nfs/dbraw/zinc/19/08/13/566190813.db2.gz JKCOSMCDGQMMEC-UHFFFAOYSA-N 0 1 378.885 2.516 20 0 GFADMN CN1CCC[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000683262352 566191435 /nfs/dbraw/zinc/19/14/35/566191435.db2.gz SSDIFJXHXALSKM-JTQLQIEISA-N 0 1 398.688 2.768 20 0 GFADMN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1[nH]nc2c1CCCC2 ZINC000683255852 566191636 /nfs/dbraw/zinc/19/16/36/566191636.db2.gz JLHAJWLEHNECQA-CYBMUJFWSA-N 0 1 392.297 2.632 20 0 GFADMN Cc1cc(NC(=O)C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cs1 ZINC000635187615 566197159 /nfs/dbraw/zinc/19/71/59/566197159.db2.gz BFSJDYUERWMIDA-UHFFFAOYSA-N 0 1 377.432 2.870 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)Cc1noc2ccc(Br)cc12 ZINC000635272434 566202955 /nfs/dbraw/zinc/20/29/55/566202955.db2.gz ZTCNCUBPKHURFC-UHFFFAOYSA-N 0 1 377.242 2.913 20 0 GFADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1n[nH]c(C)n1 ZINC000613610615 566204052 /nfs/dbraw/zinc/20/40/52/566204052.db2.gz JFZPYUDEFUJBRW-HNNXBMFYSA-N 0 1 395.301 2.572 20 0 GFADMN C[C@@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000683708653 566210482 /nfs/dbraw/zinc/21/04/82/566210482.db2.gz DSBVARCVVVSPRP-KBRIMQKVSA-N 0 1 396.329 2.751 20 0 GFADMN CC(C)(C)N1CC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000657034801 566211098 /nfs/dbraw/zinc/21/10/98/566211098.db2.gz OPVIRZZUJYDQAV-AWEZNQCLSA-N 0 1 375.332 2.741 20 0 GFADMN CCCSc1nsc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)n1 ZINC000683788472 566214276 /nfs/dbraw/zinc/21/42/76/566214276.db2.gz OPTFAIBRJUUTJH-LBPRGKRZSA-N 0 1 385.559 2.757 20 0 GFADMN Cc1cc(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)n[nH]1 ZINC000683834662 566215349 /nfs/dbraw/zinc/21/53/49/566215349.db2.gz PPBXSQJIGYQSSU-CYBMUJFWSA-N 0 1 378.274 2.559 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000657062319 566215650 /nfs/dbraw/zinc/21/56/50/566215650.db2.gz RJPLTUZYKKORQN-GFCCVEGCSA-N 0 1 375.332 2.909 20 0 GFADMN CNS(=O)(=O)Cc1ccc(CN[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000683814203 566215814 /nfs/dbraw/zinc/21/58/14/566215814.db2.gz CPTOPEWNBIDTGY-GOSISDBHSA-N 0 1 382.913 2.867 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000635530785 566218124 /nfs/dbraw/zinc/21/81/24/566218124.db2.gz BNLQWUJFQCTVCG-ZDUSSCGKSA-N 0 1 388.230 2.568 20 0 GFADMN CCC(C)(C)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000657072574 566219179 /nfs/dbraw/zinc/21/91/79/566219179.db2.gz HEUPWTHSKJNUNK-LBPRGKRZSA-N 0 1 392.543 2.560 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000635666297 566222131 /nfs/dbraw/zinc/22/21/31/566222131.db2.gz ZJBBCGWOSFYPNF-LBPRGKRZSA-N 0 1 384.267 2.899 20 0 GFADMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129718 598879332 /nfs/dbraw/zinc/87/93/32/598879332.db2.gz FJORCOLSVHOQOO-PXAZEXFGSA-N 0 1 382.855 2.976 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccccc1OCC1CC1 ZINC000738436576 598887801 /nfs/dbraw/zinc/88/78/01/598887801.db2.gz TUTDOCILRQPEFK-UHFFFAOYSA-N 0 1 375.436 2.593 20 0 GFADMN O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000738345885 598949170 /nfs/dbraw/zinc/94/91/70/598949170.db2.gz QJBSTEMILDKXMA-UHFFFAOYSA-N 0 1 386.220 2.680 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131941 598958766 /nfs/dbraw/zinc/95/87/66/598958766.db2.gz MAIQKPFPIJWFOA-APPDUMDISA-N 0 1 384.390 2.601 20 0 GFADMN C[C@@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000736131942 598959349 /nfs/dbraw/zinc/95/93/49/598959349.db2.gz MAIQKPFPIJWFOA-DIFFPNOSSA-N 0 1 384.390 2.601 20 0 GFADMN C[C@@H](N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134872 598959868 /nfs/dbraw/zinc/95/98/68/598959868.db2.gz VZQXMRIWSFOLIE-SJKOYZFVSA-N 0 1 382.855 2.976 20 0 GFADMN CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)[C@H](c2ccccc2)C1 ZINC000736867131 599039189 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GFADMN C[C@H]1CN(CCCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736284895 598274976 /nfs/dbraw/zinc/27/49/76/598274976.db2.gz HLWMKLUVGUQOLL-RYUDHWBXSA-N 0 1 384.406 2.797 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000737186722 598288330 /nfs/dbraw/zinc/28/83/30/598288330.db2.gz LENCPWDEEZXYCQ-OAHLLOKOSA-N 0 1 396.476 2.887 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)c2ccccc2C)cc1-c1nn[nH]n1 ZINC000737186579 598288593 /nfs/dbraw/zinc/28/85/93/598288593.db2.gz JRVJZSMDYJNAIH-UHFFFAOYSA-N 0 1 398.492 2.705 20 0 GFADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC000736860890 600561136 /nfs/dbraw/zinc/56/11/36/600561136.db2.gz CLHVUQXFRNTAFY-FZKQIMNGSA-N 0 1 375.450 2.862 20 0 GFADMN O=S(=O)(Nc1cccc(SC(F)F)c1)c1ccccc1-c1nn[nH]n1 ZINC000738343417 598452290 /nfs/dbraw/zinc/45/22/90/598452290.db2.gz YVYLESCQYBIFPI-UHFFFAOYSA-N 0 1 383.405 2.982 20 0 GFADMN CC(C)N(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccccc1 ZINC000735856446 598503443 /nfs/dbraw/zinc/50/34/43/598503443.db2.gz GXVHRNPZWPGWKZ-UHFFFAOYSA-N 0 1 388.431 2.623 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc1 ZINC000737369208 598548744 /nfs/dbraw/zinc/54/87/44/598548744.db2.gz IECFUUKSFMKIGI-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026460 598572173 /nfs/dbraw/zinc/57/21/73/598572173.db2.gz OEQDOIGHUBPVBN-JTQLQIEISA-N 0 1 375.889 2.835 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[N@H+]1CCc2sccc2C1 ZINC000736026460 598572174 /nfs/dbraw/zinc/57/21/74/598572174.db2.gz OEQDOIGHUBPVBN-JTQLQIEISA-N 0 1 375.889 2.835 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@@H+]1CCc2sccc2C1 ZINC000736026460 598572175 /nfs/dbraw/zinc/57/21/75/598572175.db2.gz OEQDOIGHUBPVBN-JTQLQIEISA-N 0 1 375.889 2.835 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[N@H+]1CCc2sccc2C1 ZINC000736026460 598572176 /nfs/dbraw/zinc/57/21/76/598572176.db2.gz OEQDOIGHUBPVBN-JTQLQIEISA-N 0 1 375.889 2.835 20 0 GFADMN c1nn2cc(C[NH2+][C@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nnn[n-]1 ZINC000738427480 598618367 /nfs/dbraw/zinc/61/83/67/598618367.db2.gz IOSIDQHBAMODLZ-HKUYNNGSSA-N 0 1 388.479 2.801 20 0 GFADMN c1nn2cc(C[NH2+][C@H]3CCCC[C@H]3Cc3ccccc3)cnc2c1-c1nn[n-]n1 ZINC000738427480 598618369 /nfs/dbraw/zinc/61/83/69/598618369.db2.gz IOSIDQHBAMODLZ-HKUYNNGSSA-N 0 1 388.479 2.801 20 0 GFADMN COc1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)ccc1OC(F)F ZINC000737048335 598719376 /nfs/dbraw/zinc/71/93/76/598719376.db2.gz ZGRIVEOICTWFSA-UHFFFAOYSA-N 0 1 399.357 2.840 20 0 GFADMN O=S(=O)(Nc1ccccc1Oc1ccncc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738341711 598740481 /nfs/dbraw/zinc/74/04/81/598740481.db2.gz KJBWYJKDIYDOHJ-UHFFFAOYSA-N 0 1 394.416 2.855 20 0 GFADMN COc1cccc([C@H](C)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000737122887 598756997 /nfs/dbraw/zinc/75/69/97/598756997.db2.gz YAULDTZSHWRQFC-AWEZNQCLSA-N 0 1 382.443 2.898 20 0 GFADMN c1ccc2c(c1)OC[C@H](CN1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)O2 ZINC000738443544 598781494 /nfs/dbraw/zinc/78/14/94/598781494.db2.gz XLROWEBBPFXVRM-SFHVURJKSA-N 0 1 393.447 2.550 20 0 GFADMN C[C@@H]1C[C@@H]1COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736236218 598786007 /nfs/dbraw/zinc/78/60/07/598786007.db2.gz IPUUMZZZLBCXJR-DGCLKSJQSA-N 0 1 398.423 2.530 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834646 599390468 /nfs/dbraw/zinc/39/04/68/599390468.db2.gz QAEFJHHXHBBJPG-YPMHNXCESA-N 0 1 380.452 2.936 20 0 GFADMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238719 599478911 /nfs/dbraw/zinc/47/89/11/599478911.db2.gz ZQPBSLWFNRZEEV-BBRMVZONSA-N 0 1 380.427 2.822 20 0 GFADMN COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000737142440 599560014 /nfs/dbraw/zinc/56/00/14/599560014.db2.gz UFIUHBNNTVCOEO-UHFFFAOYSA-N 0 1 399.354 2.695 20 0 GFADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821456326 599646504 /nfs/dbraw/zinc/64/65/04/599646504.db2.gz PAJYRKLJRSEMRK-LLVKDONJSA-N 0 1 382.921 2.922 20 0 GFADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000820683406 599697191 /nfs/dbraw/zinc/69/71/91/599697191.db2.gz ATNCNEAXIFTHCP-OKILXGFUSA-N 0 1 393.451 2.865 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2C)[NH+]2CCCC2)o1 ZINC000738570102 599734166 /nfs/dbraw/zinc/73/41/66/599734166.db2.gz OOFAYHLOHSPHIH-INIZCTEOSA-N 0 1 392.477 2.710 20 0 GFADMN O=C([O-])CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739741113 599809126 /nfs/dbraw/zinc/80/91/26/599809126.db2.gz WTZNTJMTQOHYQC-NRFANRHFSA-N 0 1 398.459 2.677 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736880835 599818631 /nfs/dbraw/zinc/81/86/31/599818631.db2.gz ZTZXJLPFPSFKPE-BTYIYWSLSA-N 0 1 388.508 2.982 20 0 GFADMN CC(C)Oc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1-c1nn[nH]n1 ZINC000820170094 607397409 /nfs/dbraw/zinc/39/74/09/607397409.db2.gz PPXMWMMFKCDUCO-UHFFFAOYSA-N 0 1 379.380 2.889 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000736760365 599838154 /nfs/dbraw/zinc/83/81/54/599838154.db2.gz AOXLEIXXVIEFQB-IYBDPMFKSA-N 0 1 389.500 2.799 20 0 GFADMN O=C([O-])c1cn(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nn1 ZINC000740254570 599842247 /nfs/dbraw/zinc/84/22/47/599842247.db2.gz PAANCYXSTDFHAZ-LBPRGKRZSA-N 0 1 388.815 2.517 20 0 GFADMN O=C([O-])c1cn(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nn1 ZINC000740254570 599842248 /nfs/dbraw/zinc/84/22/48/599842248.db2.gz PAANCYXSTDFHAZ-LBPRGKRZSA-N 0 1 388.815 2.517 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000736794064 599865531 /nfs/dbraw/zinc/86/55/31/599865531.db2.gz MQZQBDGSSQWVAW-LPHOPBHVSA-N 0 1 388.512 2.860 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000740279945 599937940 /nfs/dbraw/zinc/93/79/40/599937940.db2.gz SZNJIJRJFCCSMJ-AWEZNQCLSA-N 0 1 388.489 2.670 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)NCCOc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738708133 599963366 /nfs/dbraw/zinc/96/33/66/599963366.db2.gz HWLXUJJXOZYELX-UHFFFAOYSA-N 0 1 397.475 2.599 20 0 GFADMN CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000736413846 600014321 /nfs/dbraw/zinc/01/43/21/600014321.db2.gz VNSDSQBHVUGJIL-HKUYNNGSSA-N 0 1 396.915 2.701 20 0 GFADMN Cc1cc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738440099 600017923 /nfs/dbraw/zinc/01/79/23/600017923.db2.gz HXZFQZVYWSVQBZ-UHFFFAOYSA-N 0 1 382.464 2.637 20 0 GFADMN CCOc1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000737205200 600031915 /nfs/dbraw/zinc/03/19/15/600031915.db2.gz GUGGZTYEHJXUHC-FQEVSTJZSA-N 0 1 382.460 2.555 20 0 GFADMN CCOc1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000737205200 600031917 /nfs/dbraw/zinc/03/19/17/600031917.db2.gz GUGGZTYEHJXUHC-FQEVSTJZSA-N 0 1 382.460 2.555 20 0 GFADMN O=C([O-])c1cc(F)ccc1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000518200043 600083311 /nfs/dbraw/zinc/08/33/11/600083311.db2.gz HFCLVCXEAQPZPX-UHFFFAOYSA-N 0 1 398.481 2.528 20 0 GFADMN Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])n1 ZINC000738368522 600095390 /nfs/dbraw/zinc/09/53/90/600095390.db2.gz GBORVYCJUQZECH-KRWDZBQOSA-N 0 1 384.480 2.716 20 0 GFADMN COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738093797 600105212 /nfs/dbraw/zinc/10/52/12/600105212.db2.gz ZGIXLDYDHWDTCU-MRXNPFEDSA-N 0 1 397.475 2.711 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)(C(=O)[O-])c1ccccc1 ZINC000736919086 600128676 /nfs/dbraw/zinc/12/86/76/600128676.db2.gz XOBXAYVZJMWJHH-NRFANRHFSA-N 0 1 384.432 2.766 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC000164647549 600130214 /nfs/dbraw/zinc/13/02/14/600130214.db2.gz KZTCNMUCLGUKRO-LJQANCHMSA-N 0 1 382.460 2.678 20 0 GFADMN CCc1ccc([C@@H](CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC000737258267 600163248 /nfs/dbraw/zinc/16/32/48/600163248.db2.gz AGQHZZMXAJLWKZ-LJQANCHMSA-N 0 1 390.505 2.670 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000737086130 600164239 /nfs/dbraw/zinc/16/42/39/600164239.db2.gz VWXOMAYZNWCABZ-KRWDZBQOSA-N 0 1 396.534 2.949 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000737167655 600183261 /nfs/dbraw/zinc/18/32/61/600183261.db2.gz ONYMRVZTDAHUIR-MAUKXSAKSA-N 0 1 377.485 2.952 20 0 GFADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736762445 600264053 /nfs/dbraw/zinc/26/40/53/600264053.db2.gz QXLFARMTLMPHGH-CDDIRPGHSA-N 0 1 378.469 2.895 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000739622392 600268395 /nfs/dbraw/zinc/26/83/95/600268395.db2.gz JPJZQPOQLXQKRL-NRFANRHFSA-N 0 1 396.462 2.871 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736789288 600285054 /nfs/dbraw/zinc/28/50/54/600285054.db2.gz LTHWRDCHECXKJK-GGPKGHCWSA-N 0 1 390.524 2.711 20 0 GFADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738499987 600305121 /nfs/dbraw/zinc/30/51/21/600305121.db2.gz OTNRDTUWJREMAH-SFHVURJKSA-N 0 1 396.491 2.923 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc3c(c1)OC1(CCCC1)O3)CC2 ZINC000739277525 600309840 /nfs/dbraw/zinc/30/98/40/600309840.db2.gz BSGCOSVRAPGCJD-OAHLLOKOSA-N 0 1 386.448 2.853 20 0 GFADMN C[C@H](O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000736803451 600332924 /nfs/dbraw/zinc/33/29/24/600332924.db2.gz VZLNIUSKJZMPAO-NEPJUHHUSA-N 0 1 380.510 2.602 20 0 GFADMN O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CC2 ZINC000739526401 600350957 /nfs/dbraw/zinc/35/09/57/600350957.db2.gz OVRXDOLETHSWNA-WBVHZDCISA-N 0 1 391.537 2.856 20 0 GFADMN O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000740145032 600361144 /nfs/dbraw/zinc/36/11/44/600361144.db2.gz UMJQKNLNHKWAGF-UHFFFAOYSA-N 0 1 392.452 2.963 20 0 GFADMN COc1ccc(-c2nc(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-])sc2C)cc1 ZINC000737911956 600361879 /nfs/dbraw/zinc/36/18/79/600361879.db2.gz IJUXNOYHPCGNTN-NSHDSACASA-N 0 1 377.466 2.718 20 0 GFADMN C[NH+](C)[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737362347 600364364 /nfs/dbraw/zinc/36/43/64/600364364.db2.gz UIZWAWNJSXCDLJ-QGZVFWFLSA-N 0 1 376.840 2.836 20 0 GFADMN O=C([O-])c1cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000740089551 600391555 /nfs/dbraw/zinc/39/15/55/600391555.db2.gz DLWWCAXYNFSDQS-UHFFFAOYSA-N 0 1 377.441 2.978 20 0 GFADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1N1CCCC1 ZINC000737438219 600428709 /nfs/dbraw/zinc/42/87/09/600428709.db2.gz GRVLNKPWOHECLJ-UYRXBGFRSA-N 0 1 389.521 2.610 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc(C(=O)[O-])c1 ZINC000737661054 600448250 /nfs/dbraw/zinc/44/82/50/600448250.db2.gz PRHBQVCBBHNDMM-LJQANCHMSA-N 0 1 396.443 2.599 20 0 GFADMN CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C[C@H]1CCOC1 ZINC000737069893 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605894491 /nfs/dbraw/zinc/89/44/91/605894491.db2.gz HNXPOUXYCWGNCS-AZUAARDMSA-N 0 1 388.508 2.907 20 0 GFADMN Cc1cc(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1NC(=O)[O-] ZINC000829929981 605895959 /nfs/dbraw/zinc/89/59/59/605895959.db2.gz GIDHPODORBFYJU-CALCHBBNSA-N 0 1 388.512 2.716 20 0 GFADMN O=C([O-])Nc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000834269546 605933867 /nfs/dbraw/zinc/93/38/67/605933867.db2.gz XZCIREHRWMBTHT-KRWDZBQOSA-N 0 1 381.498 2.603 20 0 GFADMN O=C([O-])Nc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000834269546 605933871 /nfs/dbraw/zinc/93/38/71/605933871.db2.gz XZCIREHRWMBTHT-KRWDZBQOSA-N 0 1 381.498 2.603 20 0 GFADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])C1 ZINC000833854694 605937197 /nfs/dbraw/zinc/93/71/97/605937197.db2.gz ZEGMYMTTZBJZAL-KXBFYZLASA-N 0 1 386.496 2.537 20 0 GFADMN O=C([O-])N1CCC([C@H](NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccc(F)cc2)CC1 ZINC000834072799 605982301 /nfs/dbraw/zinc/98/23/01/605982301.db2.gz DGPFBFLGDNBQKB-XUVXKRRUSA-N 0 1 391.487 2.710 20 0 GFADMN O=C([O-])N1CCC([C@H](NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccc(F)cc2)CC1 ZINC000834072799 605982304 /nfs/dbraw/zinc/98/23/04/605982304.db2.gz DGPFBFLGDNBQKB-XUVXKRRUSA-N 0 1 391.487 2.710 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000834158414 605997192 /nfs/dbraw/zinc/99/71/92/605997192.db2.gz ARHUUZDDJKTXTD-MYMYQCDVSA-N 0 1 386.496 2.516 20 0 GFADMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822327300 606331369 /nfs/dbraw/zinc/33/13/69/606331369.db2.gz FQNPHVBOJAKCTQ-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN O=C(NC[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccccc1 ZINC000823175252 606379487 /nfs/dbraw/zinc/37/94/87/606379487.db2.gz CZTPSFHYSGMBEX-OAHLLOKOSA-N 0 1 394.454 2.648 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000822220541 606383490 /nfs/dbraw/zinc/38/34/90/606383490.db2.gz VZLSMKMKHYQKDQ-UHFFFAOYSA-N 0 1 383.431 2.568 20 0 GFADMN CC(C)CN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CC1 ZINC000820091839 606391302 /nfs/dbraw/zinc/39/13/02/606391302.db2.gz BGFSWFAITCPRMZ-UHFFFAOYSA-N 0 1 390.491 2.948 20 0 GFADMN CSc1nnc(CCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1CC(C)C ZINC000821990877 606420613 /nfs/dbraw/zinc/42/06/13/606420613.db2.gz XNGMIXOZGCZVDS-UHFFFAOYSA-N 0 1 392.558 2.620 20 0 GFADMN CSc1nnc(CCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1CC(C)C ZINC000821990877 606420615 /nfs/dbraw/zinc/42/06/15/606420615.db2.gz XNGMIXOZGCZVDS-UHFFFAOYSA-N 0 1 392.558 2.620 20 0 GFADMN CC1(C)C(NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1(C)C ZINC000820585783 606442920 /nfs/dbraw/zinc/44/29/20/606442920.db2.gz PVRGBAIFBBCCMJ-UHFFFAOYSA-N 0 1 397.527 2.519 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000822733224 606487845 /nfs/dbraw/zinc/48/78/45/606487845.db2.gz UDRDCERZOFSBHV-UHFFFAOYSA-N 0 1 375.383 2.571 20 0 GFADMN Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275412 606498907 /nfs/dbraw/zinc/49/89/07/606498907.db2.gz UMMGKMQDRGCQHB-DZGCQCFKSA-N 0 1 380.477 2.685 20 0 GFADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822275412 606498909 /nfs/dbraw/zinc/49/89/09/606498909.db2.gz UMMGKMQDRGCQHB-DZGCQCFKSA-N 0 1 380.477 2.685 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820722814 606545978 /nfs/dbraw/zinc/54/59/78/606545978.db2.gz PEKUZEOQZJVOAU-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN C[C@]1(c2ccccc2)CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635996 606717934 /nfs/dbraw/zinc/71/79/34/606717934.db2.gz OJPNGPLDOFEAFX-KNQAVFIVSA-N 0 1 388.475 2.636 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926403 606742055 /nfs/dbraw/zinc/74/20/55/606742055.db2.gz SVVRXYUNGRILDC-MSOLQXFVSA-N 0 1 398.536 2.697 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926403 606742057 /nfs/dbraw/zinc/74/20/57/606742057.db2.gz SVVRXYUNGRILDC-MSOLQXFVSA-N 0 1 398.536 2.697 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000820804502 606778979 /nfs/dbraw/zinc/77/89/79/606778979.db2.gz TXHJWGMCELNSGU-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000820804502 606778981 /nfs/dbraw/zinc/77/89/81/606778981.db2.gz TXHJWGMCELNSGU-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000820804502 606778983 /nfs/dbraw/zinc/77/89/83/606778983.db2.gz TXHJWGMCELNSGU-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000820804502 606778985 /nfs/dbraw/zinc/77/89/85/606778985.db2.gz TXHJWGMCELNSGU-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN CCc1nnc(NCc2ccc(F)c(CN(C)C)c2)c(-c2nn[nH]n2)c1CC ZINC000821541992 606935745 /nfs/dbraw/zinc/93/57/45/606935745.db2.gz FMDFXCWTUNGJEJ-UHFFFAOYSA-N 0 1 384.463 2.594 20 0 GFADMN NC(=O)[C@H](NCCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850835 606987742 /nfs/dbraw/zinc/98/77/42/606987742.db2.gz RNFDDDKWHUGAKG-OAQYLSRUSA-N 0 1 398.470 2.892 20 0 GFADMN CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821128497 607112318 /nfs/dbraw/zinc/11/23/18/607112318.db2.gz VQDMETQQSYBUMX-UHFFFAOYSA-N 0 1 391.428 2.904 20 0 GFADMN CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCCCC1 ZINC000825946431 607827968 /nfs/dbraw/zinc/82/79/68/607827968.db2.gz XYAVVFIGNGTGCE-UHFFFAOYSA-N 0 1 377.514 2.685 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073397 608021808 /nfs/dbraw/zinc/02/18/08/608021808.db2.gz QOJRPBJMXLNAIV-HNNXBMFYSA-N 0 1 396.499 2.510 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073397 608021809 /nfs/dbraw/zinc/02/18/09/608021809.db2.gz QOJRPBJMXLNAIV-HNNXBMFYSA-N 0 1 396.499 2.510 20 0 GFADMN O=C(CN1CC[C@@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000826410169 608173126 /nfs/dbraw/zinc/17/31/26/608173126.db2.gz FFRGIDMLSCTFJK-CYBMUJFWSA-N 0 1 386.525 2.868 20 0 GFADMN CC(C)CN1Cc2cccc(NC(=O)COc3cccc(-c4nn[nH]n4)c3)c2C1 ZINC000824261795 608196396 /nfs/dbraw/zinc/19/63/96/608196396.db2.gz QRCRKGBKVHIKKA-UHFFFAOYSA-N 0 1 392.463 2.856 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000824875945 608399270 /nfs/dbraw/zinc/39/92/70/608399270.db2.gz PRJNTHSLUFLUMC-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000824875945 608399272 /nfs/dbraw/zinc/39/92/72/608399272.db2.gz PRJNTHSLUFLUMC-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@H](NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000824585789 608433513 /nfs/dbraw/zinc/43/35/13/608433513.db2.gz TXYSAGMJRMVOIS-VIFPVBQESA-N 0 1 378.408 2.886 20 0 GFADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599446 608459485 /nfs/dbraw/zinc/45/94/85/608459485.db2.gz OUEMGGKPPAZNRQ-LBPRGKRZSA-N 0 1 391.884 2.645 20 0 GFADMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554369 608460429 /nfs/dbraw/zinc/46/04/29/608460429.db2.gz OZPREOOKLRLFAJ-KGLIPLIRSA-N 0 1 382.443 2.876 20 0 GFADMN O[C@@H](COc1ccc(F)cc1)CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504672 608461169 /nfs/dbraw/zinc/46/11/69/608461169.db2.gz AYXFXDSDHOCKHH-LJQANCHMSA-N 0 1 395.438 2.535 20 0 GFADMN O[C@H](COc1ccc(F)cc1)CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826504671 608461181 /nfs/dbraw/zinc/46/11/81/608461181.db2.gz AYXFXDSDHOCKHH-IBGZPJMESA-N 0 1 395.438 2.535 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826169856 608475583 /nfs/dbraw/zinc/47/55/83/608475583.db2.gz HSEPHRXILSSAII-ZDUSSCGKSA-N 0 1 394.435 2.683 20 0 GFADMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825946186 608500649 /nfs/dbraw/zinc/50/06/49/608500649.db2.gz MHPFXSPJUKRXBG-UHFFFAOYSA-N 0 1 378.230 2.733 20 0 GFADMN C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825946186 608500652 /nfs/dbraw/zinc/50/06/52/608500652.db2.gz MHPFXSPJUKRXBG-UHFFFAOYSA-N 0 1 378.230 2.733 20 0 GFADMN C[N@@H+](CCOc1ccc(Br)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825946186 608500653 /nfs/dbraw/zinc/50/06/53/608500653.db2.gz MHPFXSPJUKRXBG-UHFFFAOYSA-N 0 1 378.230 2.733 20 0 GFADMN Cc1oc2ccccc2c1CN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826342339 608517300 /nfs/dbraw/zinc/51/73/00/608517300.db2.gz GVVSSEILFZNFNM-UHFFFAOYSA-N 0 1 375.436 2.639 20 0 GFADMN CC(C)N(C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824284661 608528906 /nfs/dbraw/zinc/52/89/06/608528906.db2.gz LOSKMSHKVUAMHY-UHFFFAOYSA-N 0 1 376.464 2.887 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc(F)cc1Cl ZINC000826412553 608532721 /nfs/dbraw/zinc/53/27/21/608532721.db2.gz SGYJVFQTGFERFA-UHFFFAOYSA-N 0 1 386.818 2.877 20 0 GFADMN CCN(Cc1cnc(N2CCOCC2)s1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825445274 608551519 /nfs/dbraw/zinc/55/15/19/608551519.db2.gz YVOABLQTKNALBO-CQSZACIVSA-N 0 1 399.524 2.743 20 0 GFADMN C[C@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568580 608553226 /nfs/dbraw/zinc/55/32/26/608553226.db2.gz ASOCOGUIKVZJLY-WCQYABFASA-N 0 1 391.834 2.750 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909450 608680858 /nfs/dbraw/zinc/68/08/58/608680858.db2.gz YOVSAURDKKMCMF-GFCCVEGCSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909450 608680859 /nfs/dbraw/zinc/68/08/59/608680859.db2.gz YOVSAURDKKMCMF-GFCCVEGCSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909450 608680861 /nfs/dbraw/zinc/68/08/61/608680861.db2.gz YOVSAURDKKMCMF-GFCCVEGCSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909450 608680863 /nfs/dbraw/zinc/68/08/63/608680863.db2.gz YOVSAURDKKMCMF-GFCCVEGCSA-N 0 1 378.502 2.617 20 0 GFADMN O=C(C[C@H]1CCCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12)c1ccccc1 ZINC000826404955 608729133 /nfs/dbraw/zinc/72/91/33/608729133.db2.gz RAJWEWRTNCYDTM-QGZVFWFLSA-N 0 1 387.447 2.752 20 0 GFADMN CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3cc(-c4nn[nH]n4)cs3)C2)o1 ZINC000824352787 608739057 /nfs/dbraw/zinc/73/90/57/608739057.db2.gz NRUNMHPYXPYERB-AWEZNQCLSA-N 0 1 387.513 2.746 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000823867934 609173084 /nfs/dbraw/zinc/17/30/84/609173084.db2.gz KCPKWAJDMOTABK-UHFFFAOYSA-N 0 1 381.461 2.989 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000823867934 609173085 /nfs/dbraw/zinc/17/30/85/609173085.db2.gz KCPKWAJDMOTABK-UHFFFAOYSA-N 0 1 381.461 2.989 20 0 GFADMN CC(C)(C)OCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000824119907 609175499 /nfs/dbraw/zinc/17/54/99/609175499.db2.gz SZMRVFKLIQGJAE-UHFFFAOYSA-N 0 1 392.257 2.759 20 0 GFADMN CN(C)Cc1cc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccc1F ZINC000825870687 609292058 /nfs/dbraw/zinc/29/20/58/609292058.db2.gz YIPMPCKIUBAYSS-UHFFFAOYSA-N 0 1 388.834 2.651 20 0 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Cc1[nH]nc(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)c1Br ZINC000804759317 659681631 /nfs/dbraw/zinc/68/16/31/659681631.db2.gz NHJKZXXXDPUEQV-UHFFFAOYSA-N 0 1 385.306 2.734 20 0 GFADMN CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805061087 659730622 /nfs/dbraw/zinc/73/06/22/659730622.db2.gz NCHIQRVWFOHOPX-PLNGDYQASA-N 0 1 396.843 2.977 20 0 GFADMN CNC(=O)OC[C@H]1CCCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000805827647 659808079 /nfs/dbraw/zinc/80/80/79/659808079.db2.gz LSQLENZAGOBIHI-ZIAGYGMSSA-N 0 1 391.295 2.944 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(Br)ccc2C)ccc1O ZINC000807384350 659852952 /nfs/dbraw/zinc/85/29/52/659852952.db2.gz GRLBJJROVDQGPN-UHFFFAOYSA-N 0 1 399.266 2.624 20 0 GFADMN CCOC(=O)COc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808074983 659875814 /nfs/dbraw/zinc/87/58/14/659875814.db2.gz GHOIGKAIBOPMIQ-UHFFFAOYSA-N 0 1 384.841 2.786 20 0 GFADMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccccc1SCCC(N)=O ZINC000808089760 659876328 /nfs/dbraw/zinc/87/63/28/659876328.db2.gz XMKWGKCMYOPFED-UHFFFAOYSA-N 0 1 385.898 2.812 20 0 GFADMN CN(Cc1n[nH]c(=O)o1)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000808099253 659876482 /nfs/dbraw/zinc/87/64/82/659876482.db2.gz IIMWYILMIJABIE-UHFFFAOYSA-N 0 1 381.479 2.681 20 0 GFADMN CC(C)[C@@H](CNCc1nc2ccccn2c1Br)N1CCOCC1 ZINC000809604263 659933565 /nfs/dbraw/zinc/93/35/65/659933565.db2.gz QCXLNPPGYIZZFV-OAHLLOKOSA-N 0 1 381.318 2.543 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000810055290 659958104 /nfs/dbraw/zinc/95/81/04/659958104.db2.gz JVHRDRZPNMXYHM-ABAIWWIYSA-N 0 1 383.341 2.677 20 0 GFADMN O[C@]1(CNCc2cn(-c3ccccc3Br)nn2)CCc2ccccc21 ZINC000810150549 659965070 /nfs/dbraw/zinc/96/50/70/659965070.db2.gz HALUJWRUBXOZOZ-IBGZPJMESA-N 0 1 399.292 2.953 20 0 GFADMN O=S(=O)(CCc1ccccc1Br)Nc1cnc(Cl)cn1 ZINC000812319507 660023803 /nfs/dbraw/zinc/02/38/03/660023803.db2.gz JVIJSJUXIAPRQV-UHFFFAOYSA-N 0 1 376.663 2.877 20 0 GFADMN C[C@@H](CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H](C)CO)c1ccccc1 ZINC000813671122 660059766 /nfs/dbraw/zinc/05/97/66/660059766.db2.gz DVUDKBONFQRIIC-RYUDHWBXSA-N 0 1 383.564 2.932 20 0 GFADMN Cn1nc(C(F)(F)F)c(C[S@](=O)Cc2n[nH]c(C(C)(C)C)n2)c1Cl ZINC000814186742 660074169 /nfs/dbraw/zinc/07/41/69/660074169.db2.gz OSGLXZGOIXXFNV-DEOSSOPVSA-N 0 1 383.827 2.957 20 0 GFADMN O=C(CCc1cc(C(F)(F)F)ccc1Br)NCc1nnc[nH]1 ZINC000815104182 660112462 /nfs/dbraw/zinc/11/24/62/660112462.db2.gz DENYHVCZNWVGEM-UHFFFAOYSA-N 0 1 377.164 2.835 20 0 GFADMN COC(=O)c1ccc(C(=O)OCc2nc3ccc(Br)cc3[nH]2)n1C ZINC000815403915 660122197 /nfs/dbraw/zinc/12/21/97/660122197.db2.gz NVNUVDPAVNJAJX-UHFFFAOYSA-N 0 1 392.209 2.808 20 0 GFADMN O=C(c1cn2c(Br)cnc2s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000815514947 660124649 /nfs/dbraw/zinc/12/46/49/660124649.db2.gz LDYJRCDVKJZZBW-LLVKDONJSA-N 0 1 383.315 2.859 20 0 GFADMN COc1ccc(-c2cc(C(=O)Nc3cc(Br)nn3C)[nH]n2)cc1 ZINC000816710405 660166175 /nfs/dbraw/zinc/16/61/75/660166175.db2.gz NOTBPOXEXRAPDI-UHFFFAOYSA-N 0 1 376.214 2.834 20 0 GFADMN CC(C)(C)c1nc(CNS(=O)(=O)C=Cc2cccc(Br)c2)n[nH]1 ZINC000841537993 661293855 /nfs/dbraw/zinc/29/38/55/661293855.db2.gz AJBFDYLVPFFZSX-BQYQJAHWSA-N 0 1 399.314 2.955 20 0 GFADMN COC(=O)c1c2cnn(CN3CC[C@@H]4OCC[C@@H]4C3)c2ccc1Br ZINC000842624523 661346325 /nfs/dbraw/zinc/34/63/25/661346325.db2.gz FQUODZYIYYSTGT-ABAIWWIYSA-N 0 1 394.269 2.654 20 0 GFADMN Cc1ccccc1[C@@H](O)CNCCS(=O)(=O)c1cccc(Br)c1 ZINC000843074889 661366604 /nfs/dbraw/zinc/36/66/04/661366604.db2.gz PMDMHICEMMAQCI-KRWDZBQOSA-N 0 1 398.322 2.854 20 0 GFADMN Cc1nc(CNC[C@@H](O)COc2ccc(Br)cc2)ccc1[C@@H](C)O ZINC000843106059 661368382 /nfs/dbraw/zinc/36/83/82/661368382.db2.gz KGFDEUGLMFCTCF-CZUORRHYSA-N 0 1 395.297 2.735 20 0 GFADMN Cn1ccnc1[C@@H](NC[C@@H](O)c1ccc(Br)cc1)C(C)(C)CO ZINC000843119806 661370199 /nfs/dbraw/zinc/37/01/99/661370199.db2.gz WYQYWPSDKHBOKA-HUUCEWRRSA-N 0 1 382.302 2.565 20 0 GFADMN Brc1cccc(C2(c3noc([C@@H]4CNCCO4)n3)CCOCC2)c1 ZINC000843220392 661373737 /nfs/dbraw/zinc/37/37/37/661373737.db2.gz QLFMTBSDGCNVDK-AWEZNQCLSA-N 0 1 394.269 2.590 20 0 GFADMN O=C([O-])CCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000844251861 661411116 /nfs/dbraw/zinc/41/11/16/661411116.db2.gz JLLSXXYMSOTNCA-UHFFFAOYSA-N 0 1 383.286 2.785 20 0 GFADMN O=C(NCCC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000845673064 661488032 /nfs/dbraw/zinc/48/80/32/661488032.db2.gz AFTZODHAEMPWSP-GJZGRUSLSA-N 0 1 378.344 2.714 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000846274778 661542224 /nfs/dbraw/zinc/54/22/24/661542224.db2.gz AKGPINPOMIVGGT-SJORKVTESA-N 0 1 376.250 2.994 20 0 GFADMN CN(C)S(=O)(=O)c1cc(C(=O)OCc2cc(C3CC3)[nH]n2)ccc1Cl ZINC000848015598 661620646 /nfs/dbraw/zinc/62/06/46/661620646.db2.gz AZIYGPIRBLHXKA-UHFFFAOYSA-N 0 1 383.857 2.548 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000848277993 661637779 /nfs/dbraw/zinc/63/77/79/661637779.db2.gz ZOMOHWDXRQGTMT-QMMMGPOBSA-N 0 1 375.738 2.653 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1nc(Br)sc1C1CC1 ZINC000848274471 661637806 /nfs/dbraw/zinc/63/78/06/661637806.db2.gz ZZRMLQNFTBVDSY-MRVPVSSYSA-N 0 1 398.286 2.683 20 0 GFADMN COc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1F ZINC000849309808 661704892 /nfs/dbraw/zinc/70/48/92/661704892.db2.gz MXPFOCOJQRTVBF-UHFFFAOYSA-N 0 1 384.454 2.601 20 0 GFADMN O=C(CC[C@H]1CC1(Cl)Cl)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000849875540 661750604 /nfs/dbraw/zinc/75/06/04/661750604.db2.gz LHTDBKMWMIRECY-VIFPVBQESA-N 0 1 377.249 2.526 20 0 GFADMN CCOc1cc(CNCCS(=O)(=O)CC(F)(F)F)cc(Cl)c1OC ZINC000850363587 661772037 /nfs/dbraw/zinc/77/20/37/661772037.db2.gz BIMHBUPIADVCCP-UHFFFAOYSA-N 0 1 389.823 2.814 20 0 GFADMN O=S(=O)(CCNCc1cccc(OCC(F)(F)F)c1)CC(F)(F)F ZINC000850363617 661772039 /nfs/dbraw/zinc/77/20/39/661772039.db2.gz DALZTOUEAZPPII-UHFFFAOYSA-N 0 1 379.322 2.694 20 0 GFADMN CCCC1=C(C(=O)OCC)[C@H](c2cc(C(F)(F)F)nn2C)NC(=S)N1 ZINC000851722032 661829030 /nfs/dbraw/zinc/82/90/30/661829030.db2.gz IZVFMLBXMMYSMZ-LBPRGKRZSA-N 0 1 376.404 2.575 20 0 GFADMN NS(=O)(=O)c1cc(CN2CCC[C@H]2Cc2ccc(Br)cc2)co1 ZINC000851735995 661829751 /nfs/dbraw/zinc/82/97/51/661829751.db2.gz FLZNRNHSQKRUGW-HNNXBMFYSA-N 0 1 399.310 2.897 20 0 GFADMN CCOP(=O)(OCC)[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000851848036 661838629 /nfs/dbraw/zinc/83/86/29/661838629.db2.gz ITYGXYNGEOKXLY-UONOGXRCSA-N 0 1 380.422 2.512 20 0 GFADMN C[C@@H](NC[C@H](O)c1ccccn1)c1cc2c(cc1Br)OCCO2 ZINC000851896821 661844866 /nfs/dbraw/zinc/84/48/66/661844866.db2.gz MJAVABHABUWJRN-ABAIWWIYSA-N 0 1 379.254 3.000 20 0 GFADMN O=C(NCC1CCN(Cc2ncsc2Br)CC1)C(F)(F)F ZINC000852006547 661848843 /nfs/dbraw/zinc/84/88/43/661848843.db2.gz AKGDVRNKGYSILF-UHFFFAOYSA-N 0 1 386.237 2.796 20 0 GFADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000852022654 661849587 /nfs/dbraw/zinc/84/95/87/661849587.db2.gz MTMKQOAMWOUXPS-LBPRGKRZSA-N 0 1 381.885 2.818 20 0 GFADMN C[C@@H]1CCN(Cc2ccnc(Br)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852756595 661873634 /nfs/dbraw/zinc/87/36/34/661873634.db2.gz PCSRMAOVDCEAIP-KOLCDFICSA-N 0 1 380.208 2.733 20 0 GFADMN CCc1ccc([C@H]2CNCCN2C(=O)c2cnn(C)c2Br)cc1 ZINC000852877662 661876224 /nfs/dbraw/zinc/87/62/24/661876224.db2.gz IRBPMYFPUOTBME-OAHLLOKOSA-N 0 1 377.286 2.532 20 0 GFADMN CN1CCN(C[C@H](Nc2ncnc(F)c2Br)c2ccccc2)CC1 ZINC000853262288 661886488 /nfs/dbraw/zinc/88/64/88/661886488.db2.gz OWQMBNLVZFOFFA-AWEZNQCLSA-N 0 1 394.292 2.779 20 0 GFADMN O=C1CC[C@H]2CN(Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]2N1 ZINC000853556574 661892377 /nfs/dbraw/zinc/89/23/77/661892377.db2.gz FXVQTXFQEKAGRE-GOEBONIOSA-N 0 1 389.297 2.871 20 0 GFADMN COC(=O)c1c2cnn(CN3CC[C@@H]4COC[C@H]4C3)c2ccc1Br ZINC000853589259 661893767 /nfs/dbraw/zinc/89/37/67/661893767.db2.gz HZKNJPYAZPSIGF-VXGBXAGGSA-N 0 1 394.269 2.511 20 0 GFADMN O=C([C@@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000854332025 661924998 /nfs/dbraw/zinc/92/49/98/661924998.db2.gz YFAHYPCGNJPVLQ-PBHICJAKSA-N 0 1 387.307 2.740 20 0 GFADMN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000854371304 661929543 /nfs/dbraw/zinc/92/95/43/661929543.db2.gz OOMDQWZRVQLIMH-HNNXBMFYSA-N 0 1 387.278 2.549 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000854460859 661935213 /nfs/dbraw/zinc/93/52/13/661935213.db2.gz OWYCVIGPULGIIN-WDEREUQCSA-N 0 1 396.245 2.774 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)C(F)(F)c1ccc(Br)cc1 ZINC000854743463 661952800 /nfs/dbraw/zinc/95/28/00/661952800.db2.gz MSUDBXUGXOTFGF-CQSZACIVSA-N 0 1 391.256 2.504 20 0 GFADMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1Br ZINC000855194251 661975521 /nfs/dbraw/zinc/97/55/21/661975521.db2.gz UXJRWEWSGUHNIB-UHFFFAOYSA-N 0 1 389.294 2.856 20 0 GFADMN COC[C@H](NS(=O)(=O)c1ccc(Br)nc1F)c1ccc(C)o1 ZINC000859048123 662133819 /nfs/dbraw/zinc/13/38/19/662133819.db2.gz YUJZXDIHBUAFOM-VIFPVBQESA-N 0 1 393.234 2.551 20 0 GFADMN COC(=O)Nc1ccc(S(=O)(=O)NCCN2CCCC2(C)C)cc1Cl ZINC000859183601 662143452 /nfs/dbraw/zinc/14/34/52/662143452.db2.gz MWAICTWAULATMX-UHFFFAOYSA-N 0 1 389.905 2.671 20 0 GFADMN CC[C@@H](C(=O)NC[C@H](C)N1CCN(C)CC1)c1ccc(Br)cc1 ZINC000859364690 662156786 /nfs/dbraw/zinc/15/67/86/662156786.db2.gz ODAMHZFHLHTMGC-WMLDXEAASA-N 0 1 382.346 2.695 20 0 GFADMN C[C@@H]1CN(C(=O)CN2CC[C@H](Sc3ccc(Br)cc3)C2)CCO1 ZINC000859441864 662163204 /nfs/dbraw/zinc/16/32/04/662163204.db2.gz SDTBCXZHBWTIDJ-CJNGLKHVSA-N 0 1 399.354 2.863 20 0 GFADMN C[C@@H](COC(=O)c1ccc(NS(C)(=O)=O)nc1)Oc1ccc(Cl)cc1 ZINC000860705817 662210600 /nfs/dbraw/zinc/21/06/00/662210600.db2.gz MWNGMWCKYLVIAV-NSHDSACASA-N 0 1 384.841 2.731 20 0 GFADMN C[C@@]1(Br)C[C@@H]1C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000862207449 662273060 /nfs/dbraw/zinc/27/30/60/662273060.db2.gz QSZARPBGHAENBT-SJLPKXTDSA-N 0 1 392.341 2.631 20 0 GFADMN C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000862648709 662296862 /nfs/dbraw/zinc/29/68/62/662296862.db2.gz CVOUMSVDKVFMNB-JNSOCZORSA-N 0 1 384.307 2.853 20 0 GFADMN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036511 662309026 /nfs/dbraw/zinc/30/90/26/662309026.db2.gz CLLDPTINKXCTAD-CABCVRRESA-N 0 1 390.336 2.634 20 0 GFADMN Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1Br)CC2 ZINC000864139121 662356314 /nfs/dbraw/zinc/35/63/14/662356314.db2.gz DDLDMMOONJHIAJ-ZDUSSCGKSA-N 0 1 392.253 2.531 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CC2(CSC2)C1 ZINC000865117817 662399800 /nfs/dbraw/zinc/39/98/00/662399800.db2.gz TYLKOTXCGGXVEO-UHFFFAOYSA-N 0 1 393.310 2.994 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC2(CSC2)C1 ZINC000865117817 662399803 /nfs/dbraw/zinc/39/98/03/662399803.db2.gz TYLKOTXCGGXVEO-UHFFFAOYSA-N 0 1 393.310 2.994 20 0 GFADMN O=c1[nH]c(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2c1COCC2 ZINC000865347110 662415113 /nfs/dbraw/zinc/41/51/13/662415113.db2.gz SXEJPZMKPKYMIR-UHFFFAOYSA-N 0 1 375.841 2.986 20 0 GFADMN C[C@H](CN1CCN(c2ccccn2)CC1)NCc1cccnc1Br ZINC000865468917 662423300 /nfs/dbraw/zinc/42/33/00/662423300.db2.gz GGUDYCZLIMUKEZ-OAHLLOKOSA-N 0 1 390.329 2.539 20 0 GFADMN 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O=C(CCN1CCc2c(Cl)cccc2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737845991 598865714 /nfs/dbraw/zinc/86/57/14/598865714.db2.gz DPSDQMOTNKQVBE-UHFFFAOYSA-N 0 1 382.855 2.907 20 0 GFADMN CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000736787052 598916558 /nfs/dbraw/zinc/91/65/58/598916558.db2.gz DZJQTKABRHNGLC-MRXNPFEDSA-N 0 1 396.882 2.948 20 0 GFADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000737076339 598959917 /nfs/dbraw/zinc/95/99/17/598959917.db2.gz QGQHHDYPTHSAHJ-KBXCAEBGSA-N 0 1 392.463 2.640 20 0 GFADMN CCOc1ccccc1[C@@H](C)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653509 598961044 /nfs/dbraw/zinc/96/10/44/598961044.db2.gz BAVBQQFSLLNSCK-KDOFPFPSSA-N 0 1 392.463 2.722 20 0 GFADMN Cc1ccc([C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737321234 598965883 /nfs/dbraw/zinc/96/58/83/598965883.db2.gz ZSIRCRLGXAYMFW-MRXNPFEDSA-N 0 1 390.451 2.960 20 0 GFADMN Cc1ccc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)o1 ZINC000737321234 598965884 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CSc1[nH]c(=O)c(C(=O)NCc2oc3ccccc3c2C)cc1-c1nn[nH]n1 ZINC000737187256 599109317 /nfs/dbraw/zinc/10/93/17/599109317.db2.gz PHUKYENHNYYRDM-UHFFFAOYSA-N 0 1 396.432 2.674 20 0 GFADMN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289542 599146796 /nfs/dbraw/zinc/14/67/96/599146796.db2.gz DIDXRZJUBWEWAM-NIKGAXFTSA-N 0 1 376.464 2.519 20 0 GFADMN Cc1c(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822097283 607280069 /nfs/dbraw/zinc/28/00/69/607280069.db2.gz WJASRDWGHZAWNI-QGZVFWFLSA-N 0 1 383.431 2.739 20 0 GFADMN O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCN2CCCC[C@@H]2C1 ZINC000823303664 599289917 /nfs/dbraw/zinc/28/99/17/599289917.db2.gz QFQYUAMGSCOGMV-GFCCVEGCSA-N 0 1 395.389 2.588 20 0 GFADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cc1F)N1CCN(c2ccccc2)CC1 ZINC000736025177 598237784 /nfs/dbraw/zinc/23/77/84/598237784.db2.gz DWVJANMQNCSAEN-OAHLLOKOSA-N 0 1 381.459 2.628 20 0 GFADMN C[C@H]1CCN(CC(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736275143 598254315 /nfs/dbraw/zinc/25/43/15/598254315.db2.gz HMWVNXVJABPEAO-HNNXBMFYSA-N 0 1 392.463 2.726 20 0 GFADMN C[C@H]([NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1)c1cc2ccccc2s1 ZINC000736133477 598428883 /nfs/dbraw/zinc/42/88/83/598428883.db2.gz HHKZGBSTIPVYOV-NSHDSACASA-N 0 1 376.449 2.975 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)c1 ZINC000737412163 598548593 /nfs/dbraw/zinc/54/85/93/598548593.db2.gz WPKAQDQVQQWFMV-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN CN1CCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736856056 598627209 /nfs/dbraw/zinc/62/72/09/598627209.db2.gz KRAZMBIUYDXGJS-LJQANCHMSA-N 0 1 394.454 2.629 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc12 ZINC000738371458 598719997 /nfs/dbraw/zinc/71/99/97/598719997.db2.gz KGTDHEIRMXJMIZ-UHFFFAOYSA-N 0 1 395.806 2.655 20 0 GFADMN COc1cccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737122486 598721573 /nfs/dbraw/zinc/72/15/73/598721573.db2.gz UHTGBLRTBUCDHI-UHFFFAOYSA-N 0 1 395.806 2.727 20 0 GFADMN c1cc2c(ccnc2N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)s1 ZINC000738420461 598745193 /nfs/dbraw/zinc/74/51/93/598745193.db2.gz GRNCRXARIZESIN-UHFFFAOYSA-N 0 1 394.464 2.668 20 0 GFADMN O=C(/C=C/C1CCOCC1)Nc1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000737796439 598752570 /nfs/dbraw/zinc/75/25/70/598752570.db2.gz OLNFDIDGFRFQKI-LZCJLJQNSA-N 0 1 382.449 2.912 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000736198351 599316235 /nfs/dbraw/zinc/31/62/35/599316235.db2.gz SLGKEXBHUJNQPH-INIZCTEOSA-N 0 1 394.527 2.697 20 0 GFADMN CCOc1cc2c(cc1CNCc1ccc(OC)c(-c3nn[nH]n3)c1)O[C@@H](C)C2 ZINC000821400747 599395835 /nfs/dbraw/zinc/39/58/35/599395835.db2.gz NHKOEUPJJFODCJ-ZDUSSCGKSA-N 0 1 395.463 2.887 20 0 GFADMN CCOc1cc(N2CCN(C)CC2)ccc1NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821399858 599397603 /nfs/dbraw/zinc/39/76/03/599397603.db2.gz CXPQGPHMURKAEK-UHFFFAOYSA-N 0 1 393.495 2.629 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1-c1nn[nH]n1 ZINC000821969588 599545203 /nfs/dbraw/zinc/54/52/03/599545203.db2.gz BKSRZTHBJMIPFH-QMTHXVAHSA-N 0 1 382.449 2.522 20 0 GFADMN CCN(CCc1ccccc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821214805 599564013 /nfs/dbraw/zinc/56/40/13/599564013.db2.gz LOMBUHUXRDBWOZ-UHFFFAOYSA-N 0 1 375.436 2.981 20 0 GFADMN CCCO[C@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821128301 599574241 /nfs/dbraw/zinc/57/42/41/599574241.db2.gz SXCWYHCNWSIMGB-INIZCTEOSA-N 0 1 383.456 2.698 20 0 GFADMN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419987 599584617 /nfs/dbraw/zinc/58/46/17/599584617.db2.gz GMKCRWJCBQZNJS-NVXWUHKLSA-N 0 1 376.464 2.992 20 0 GFADMN CCc1ccc(N2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821487495 599591259 /nfs/dbraw/zinc/59/12/59/599591259.db2.gz UZMHXZOXZJAFKJ-UHFFFAOYSA-N 0 1 378.480 2.630 20 0 GFADMN COc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148712 599592609 /nfs/dbraw/zinc/59/26/09/599592609.db2.gz USFSXWQEEKSNLG-LSDHHAIUSA-N 0 1 392.463 2.692 20 0 GFADMN C[C@@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](c2ccccc2)CO1 ZINC000820753559 599645413 /nfs/dbraw/zinc/64/54/13/599645413.db2.gz ZHAPSJBQWQYBAE-BEFAXECRSA-N 0 1 392.463 2.657 20 0 GFADMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821456328 599646402 /nfs/dbraw/zinc/64/64/02/599646402.db2.gz PAJYRKLJRSEMRK-NSHDSACASA-N 0 1 382.921 2.922 20 0 GFADMN Fc1ccc(-c2n[nH]c(CNc3cc(-c4nn[nH]n4)c4ccccc4n3)n2)cc1 ZINC000822753260 599685234 /nfs/dbraw/zinc/68/52/34/599685234.db2.gz KUPDYDDZLBJLPA-UHFFFAOYSA-N 0 1 387.382 2.951 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000737869255 599752846 /nfs/dbraw/zinc/75/28/46/599752846.db2.gz YXVPTVBRXCBFEE-MSOLQXFVSA-N 0 1 385.460 2.931 20 0 GFADMN CCOc1cc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1OCC(=O)[O-] ZINC000737186334 599761620 /nfs/dbraw/zinc/76/16/20/599761620.db2.gz XPSJJAOJHLYGOX-GASCZTMLSA-N 0 1 378.469 2.541 20 0 GFADMN CC[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737069917 599875290 /nfs/dbraw/zinc/87/52/90/599875290.db2.gz ZYKXZDYRHBITIR-UHFFFAOYSA-N 0 1 383.448 2.547 20 0 GFADMN CC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737069917 599875291 /nfs/dbraw/zinc/87/52/91/599875291.db2.gz ZYKXZDYRHBITIR-UHFFFAOYSA-N 0 1 383.448 2.547 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCSCC(=O)[O-] ZINC000736788931 599898148 /nfs/dbraw/zinc/89/81/48/599898148.db2.gz IBXUBSXQFUWTHN-HNNXBMFYSA-N 0 1 379.526 2.678 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931194 599935189 /nfs/dbraw/zinc/93/51/89/599935189.db2.gz CNZMNYKNGFUQND-CWTRNNRKSA-N 0 1 393.871 2.640 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931194 599935191 /nfs/dbraw/zinc/93/51/91/599935191.db2.gz CNZMNYKNGFUQND-CWTRNNRKSA-N 0 1 393.871 2.640 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000736722396 599942473 /nfs/dbraw/zinc/94/24/73/599942473.db2.gz CIIWSMJEHBVCKK-LPHOPBHVSA-N 0 1 397.475 2.898 20 0 GFADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738849458 599969098 /nfs/dbraw/zinc/96/90/98/599969098.db2.gz CPEPMTDVXATLTH-WMLDXEAASA-N 0 1 399.495 2.641 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)CCc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738407383 600045232 /nfs/dbraw/zinc/04/52/32/600045232.db2.gz FRIUHDYRINZLEI-SFHVURJKSA-N 0 1 382.464 2.509 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737114051 600074194 /nfs/dbraw/zinc/07/41/94/600074194.db2.gz FVQDQTHOLPGFFU-IBGZPJMESA-N 0 1 397.475 2.672 20 0 GFADMN Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000738844422 600111983 /nfs/dbraw/zinc/11/19/83/600111983.db2.gz LWNHOWXMUHNGSP-DYVFJYSZSA-N 0 1 387.505 2.791 20 0 GFADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000738844422 600111986 /nfs/dbraw/zinc/11/19/86/600111986.db2.gz LWNHOWXMUHNGSP-DYVFJYSZSA-N 0 1 387.505 2.791 20 0 GFADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2C1 ZINC000737030548 600116801 /nfs/dbraw/zinc/11/68/01/600116801.db2.gz TXNVDHDUVLVTFS-UHFFFAOYSA-N 0 1 393.443 2.591 20 0 GFADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2C1 ZINC000737030548 600116802 /nfs/dbraw/zinc/11/68/02/600116802.db2.gz TXNVDHDUVLVTFS-UHFFFAOYSA-N 0 1 393.443 2.591 20 0 GFADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000565106548 600144675 /nfs/dbraw/zinc/14/46/75/600144675.db2.gz ZBZOLVRFLICIOT-QFBILLFUSA-N 0 1 399.443 2.733 20 0 GFADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736759750 600178978 /nfs/dbraw/zinc/17/89/78/600178978.db2.gz KDHRNSHYSCGCOK-TYCQWZJGSA-N 0 1 378.472 2.903 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000739623574 600179396 /nfs/dbraw/zinc/17/93/96/600179396.db2.gz DLMJOIIWHNBLGT-UXHICEINSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000739623574 600179400 /nfs/dbraw/zinc/17/94/00/600179400.db2.gz DLMJOIIWHNBLGT-UXHICEINSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])c1sc2ccccc2c1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000739231157 600250623 /nfs/dbraw/zinc/25/06/23/600250623.db2.gz BMVHHHMECCMOER-UHFFFAOYSA-N 0 1 376.478 2.718 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000736174925 600272816 /nfs/dbraw/zinc/27/28/16/600272816.db2.gz FJGXIXUOYGUVHF-MRXNPFEDSA-N 0 1 384.432 2.584 20 0 GFADMN C[N@@H+](CCC(=O)NCC(=O)[O-])[C@@H]1CCSc2ccc(Br)cc21 ZINC000737412500 600299064 /nfs/dbraw/zinc/29/90/64/600299064.db2.gz PPVZWFUICHUATB-GFCCVEGCSA-N 0 1 387.299 2.509 20 0 GFADMN CC[C@@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC[N@H+]1CCOC ZINC000736937905 600339012 /nfs/dbraw/zinc/33/90/12/600339012.db2.gz HWTNXAFOAGUGAS-QGZVFWFLSA-N 0 1 395.525 2.579 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736809819 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C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000826004567 601041176 /nfs/dbraw/zinc/04/11/76/601041176.db2.gz CGNNQLJMDOBXTL-LAUBAEHRSA-N 0 1 395.503 2.596 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000826004568 601041454 /nfs/dbraw/zinc/04/14/54/601041454.db2.gz CGNNQLJMDOBXTL-UTKZUKDTSA-N 0 1 395.503 2.596 20 0 GFADMN CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000571657716 601050089 /nfs/dbraw/zinc/05/00/89/601050089.db2.gz BLXIQPSXZCUELZ-IEBWSBKVSA-N 0 1 394.537 2.792 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CC[N@H+]1C ZINC000828177113 601075304 /nfs/dbraw/zinc/07/53/04/601075304.db2.gz NDGNBFBFRMSQOS-RKDXNWHRSA-N 0 1 388.237 2.891 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1OC ZINC000831904494 601079607 /nfs/dbraw/zinc/07/96/07/601079607.db2.gz YEACPUOIVZXQRH-OLZOCXBDSA-N 0 1 379.457 2.644 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1C(=O)[O-] ZINC000831294483 601107109 /nfs/dbraw/zinc/10/71/09/601107109.db2.gz NIMQOJJYUGZOFJ-STQMWFEESA-N 0 1 377.441 2.556 20 0 GFADMN Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)[O-] ZINC000832946855 601144669 /nfs/dbraw/zinc/14/46/69/601144669.db2.gz KKXNQFFPZPDDKD-UHFFFAOYSA-N 0 1 383.448 2.847 20 0 GFADMN C[C@H](CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000827411924 601174393 /nfs/dbraw/zinc/17/43/93/601174393.db2.gz CMUKTGZYYZFYER-OAHLLOKOSA-N 0 1 398.463 2.742 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C[C@H]1C ZINC000829752284 601206948 /nfs/dbraw/zinc/20/69/48/601206948.db2.gz FFHCTZVBDNXBKQ-WBMJQRKESA-N 0 1 377.441 2.508 20 0 GFADMN C[N@@H+](CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)Cc1ccccc1 ZINC000312111915 601209172 /nfs/dbraw/zinc/20/91/72/601209172.db2.gz LCIILTVTUYXNPM-JLHYYAGUSA-N 0 1 388.489 2.585 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737721842 601225811 /nfs/dbraw/zinc/22/58/11/601225811.db2.gz RJBHGOOPKUERIM-HIFRSBDPSA-N 0 1 392.452 2.638 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(C)c1C(=O)[O-] ZINC000832843349 601329124 /nfs/dbraw/zinc/32/91/24/601329124.db2.gz UQFPKWFRAULULH-GOEBONIOSA-N 0 1 378.469 2.561 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829162273 601338620 /nfs/dbraw/zinc/33/86/20/601338620.db2.gz QODBIQNHGPAENW-HUUCEWRRSA-N 0 1 389.452 2.652 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000829765181 601342245 /nfs/dbraw/zinc/34/22/45/601342245.db2.gz LGGRGDQJEYALFE-GFCCVEGCSA-N 0 1 395.525 2.625 20 0 GFADMN O=C([O-])c1nn(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21 ZINC000833129905 601397683 /nfs/dbraw/zinc/39/76/83/601397683.db2.gz TVJYDOJDKOXDJB-UHFFFAOYSA-N 0 1 378.432 2.586 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000830355588 601416934 /nfs/dbraw/zinc/41/69/34/601416934.db2.gz RADOWYQTHPUSSR-HNNXBMFYSA-N 0 1 388.468 2.897 20 0 GFADMN O=C([O-])c1c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000833295332 601450486 /nfs/dbraw/zinc/45/04/86/601450486.db2.gz QNFXNJFGMSFXCH-IYBDPMFKSA-N 0 1 378.428 2.528 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000833190036 601499017 /nfs/dbraw/zinc/49/90/17/601499017.db2.gz IKAWGAGTXAWXIS-INIZCTEOSA-N 0 1 395.297 2.909 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000833190036 601499019 /nfs/dbraw/zinc/49/90/19/601499019.db2.gz IKAWGAGTXAWXIS-INIZCTEOSA-N 0 1 395.297 2.909 20 0 GFADMN CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829619232 601509725 /nfs/dbraw/zinc/50/97/25/601509725.db2.gz VYLPZFLCHMGDRN-SJLPKXTDSA-N 0 1 394.537 2.729 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828450420 601512923 /nfs/dbraw/zinc/51/29/23/601512923.db2.gz POMARCDCDZXSOB-QAPCUYQASA-N 0 1 380.444 2.899 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000825913826 601545502 /nfs/dbraw/zinc/54/55/02/601545502.db2.gz ZSSNWWABSABSCV-OAQYLSRUSA-N 0 1 392.411 2.935 20 0 GFADMN C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000263256731 601713063 /nfs/dbraw/zinc/71/30/63/601713063.db2.gz UGSZEFSQJUOAJD-SIIHOXLZSA-N 0 1 384.398 2.620 20 0 GFADMN O=C([O-])[C@]1(NC(=O)Cc2cc(F)ccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833117152 601729668 /nfs/dbraw/zinc/72/96/68/601729668.db2.gz OSHYPAFEJVOISL-NRFANRHFSA-N 0 1 388.414 2.743 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000826183629 607524717 /nfs/dbraw/zinc/52/47/17/607524717.db2.gz VNMBFZXEMODBBR-KRWDZBQOSA-N 0 1 393.447 2.984 20 0 GFADMN O=C([O-])c1sccc1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000833348269 601827194 /nfs/dbraw/zinc/82/71/94/601827194.db2.gz GNLKZYQWCLCRQM-MRXNPFEDSA-N 0 1 380.897 2.951 20 0 GFADMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC000184944734 601836518 /nfs/dbraw/zinc/83/65/18/601836518.db2.gz FHJJENUGMWJKCC-QGZVFWFLSA-N 0 1 396.896 2.928 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000390593327 601839143 /nfs/dbraw/zinc/83/91/43/601839143.db2.gz ZWGTWBQTPMFPEJ-CYBMUJFWSA-N 0 1 396.896 2.837 20 0 GFADMN CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000662218881 601844967 /nfs/dbraw/zinc/84/49/67/601844967.db2.gz VYRQVAADCCDXBD-UHFFFAOYSA-N 0 1 389.496 2.684 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)C2=O)c1 ZINC000833329944 601879874 /nfs/dbraw/zinc/87/98/74/601879874.db2.gz KEROXLIPQOABKL-NRFANRHFSA-N 0 1 383.448 2.933 20 0 GFADMN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000830064804 601885831 /nfs/dbraw/zinc/88/58/31/601885831.db2.gz WYEYALRFUPFQCH-AEFFLSMTSA-N 0 1 392.521 2.641 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000739580546 601894185 /nfs/dbraw/zinc/89/41/85/601894185.db2.gz VQHZSKVCMGIULD-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000740238435 601894725 /nfs/dbraw/zinc/89/47/25/601894725.db2.gz ZNTPXSKRYFTATF-XIRDDKMYSA-N 0 1 383.452 2.503 20 0 GFADMN Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H](C(=O)[O-])c3cc(F)c(F)c(F)c3)cc12 ZINC000833016570 601905848 /nfs/dbraw/zinc/90/58/48/601905848.db2.gz YAMMZZFUVQPDQQ-MRXNPFEDSA-N 0 1 378.354 2.952 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826020745 601924599 /nfs/dbraw/zinc/92/45/99/601924599.db2.gz HUKFJQSDPLGFLC-GWCFXTLKSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826020745 601924602 /nfs/dbraw/zinc/92/46/02/601924602.db2.gz HUKFJQSDPLGFLC-GWCFXTLKSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826020747 601924902 /nfs/dbraw/zinc/92/49/02/601924902.db2.gz HUKFJQSDPLGFLC-MFKMUULPSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826020747 601924903 /nfs/dbraw/zinc/92/49/03/601924903.db2.gz HUKFJQSDPLGFLC-MFKMUULPSA-N 0 1 376.400 2.925 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833220915 601927728 /nfs/dbraw/zinc/92/77/28/601927728.db2.gz CULWKRBCDJRBMO-WDEREUQCSA-N 0 1 380.293 2.625 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000828020232 601931814 /nfs/dbraw/zinc/93/18/14/601931814.db2.gz MRGBQWFNGTYFCX-OFNKIYASSA-N 0 1 378.472 2.957 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739907021 601934512 /nfs/dbraw/zinc/93/45/12/601934512.db2.gz PABHLMYOJBALIK-UHFFFAOYSA-N 0 1 381.860 2.894 20 0 GFADMN COc1cccc(-c2nc(C[N@@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)c1OC ZINC000739943479 601935680 /nfs/dbraw/zinc/93/56/80/601935680.db2.gz SOEJYLMUGXEOJQ-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN COc1cccc(-c2nc(C[N@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)c1OC ZINC000739943479 601935684 /nfs/dbraw/zinc/93/56/84/601935684.db2.gz SOEJYLMUGXEOJQ-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN CCO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918296 601958922 /nfs/dbraw/zinc/95/89/22/601958922.db2.gz NKZXMANCGHFQSR-NEPJUHHUSA-N 0 1 386.290 2.889 20 0 GFADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918296 601958924 /nfs/dbraw/zinc/95/89/24/601958924.db2.gz NKZXMANCGHFQSR-NEPJUHHUSA-N 0 1 386.290 2.889 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000740645149 601965354 /nfs/dbraw/zinc/96/53/54/601965354.db2.gz WIVAKFNQWZPACO-VIFPVBQESA-N 0 1 379.766 2.887 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000740645149 601965355 /nfs/dbraw/zinc/96/53/55/601965355.db2.gz WIVAKFNQWZPACO-VIFPVBQESA-N 0 1 379.766 2.887 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000739585328 601965981 /nfs/dbraw/zinc/96/59/81/601965981.db2.gz POQQUUBUPJPSSZ-ZIAGYGMSSA-N 0 1 376.375 2.519 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000739582154 601967094 /nfs/dbraw/zinc/96/70/94/601967094.db2.gz ASVBJTDNCXNQNE-LBPRGKRZSA-N 0 1 384.274 2.852 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000828257746 602023853 /nfs/dbraw/zinc/02/38/53/602023853.db2.gz JZFBRURGBHVJOB-INIZCTEOSA-N 0 1 378.517 2.953 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000830954986 602049963 /nfs/dbraw/zinc/04/99/63/602049963.db2.gz VSMOYIIQWAVADG-UXHICEINSA-N 0 1 387.524 2.587 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@@H](C)Cc3ccc(O)cc3)nc(=O)c12 ZINC000832852566 602061668 /nfs/dbraw/zinc/06/16/68/602061668.db2.gz APXCDWJBLOFCIX-JTQLQIEISA-N 0 1 387.461 2.760 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@@H](C)Cc3ccc(O)cc3)nc(=O)c12 ZINC000832852566 602061672 /nfs/dbraw/zinc/06/16/72/602061672.db2.gz APXCDWJBLOFCIX-JTQLQIEISA-N 0 1 387.461 2.760 20 0 GFADMN CCO[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000829913521 602169954 /nfs/dbraw/zinc/16/99/54/602169954.db2.gz ZVFTZPKTLCJGLI-NQIIRXRSSA-N 0 1 376.497 2.673 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568268646 602209459 /nfs/dbraw/zinc/20/94/59/602209459.db2.gz CCBKBWOCCQMJTA-VQTJNVASSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568268646 602209461 /nfs/dbraw/zinc/20/94/61/602209461.db2.gz CCBKBWOCCQMJTA-VQTJNVASSA-N 0 1 382.460 2.794 20 0 GFADMN CSc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)[O-])cc1 ZINC000740015457 602275314 /nfs/dbraw/zinc/27/53/14/602275314.db2.gz ARWUVFPXBMBADB-PBHICJAKSA-N 0 1 379.526 2.878 20 0 GFADMN O=C([O-])N1CCc2cc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000740441925 602281746 /nfs/dbraw/zinc/28/17/46/602281746.db2.gz RQJRBBWHHTWGMU-UHFFFAOYSA-N 0 1 380.448 2.907 20 0 GFADMN CC(C)[C@H](NC(=O)C[N@H+](CC(=O)[O-])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000826693715 602333267 /nfs/dbraw/zinc/33/32/67/602333267.db2.gz LWLGFUMPPJFYMP-NRFANRHFSA-N 0 1 390.480 2.600 20 0 GFADMN CC(C)[C@H](NC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000826693715 602333270 /nfs/dbraw/zinc/33/32/70/602333270.db2.gz LWLGFUMPPJFYMP-NRFANRHFSA-N 0 1 390.480 2.600 20 0 GFADMN CN(CC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1)C(=O)[O-] ZINC000739640617 602364879 /nfs/dbraw/zinc/36/48/79/602364879.db2.gz HNYRSGLFUHVELZ-SFHVURJKSA-N 0 1 391.537 2.625 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000740243017 602377073 /nfs/dbraw/zinc/37/70/73/602377073.db2.gz NXLGLKWQBLEKMI-KRWDZBQOSA-N 0 1 399.495 2.797 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000740241759 602378099 /nfs/dbraw/zinc/37/80/99/602378099.db2.gz GGDHMFROZURDBX-GOSISDBHSA-N 0 1 399.495 2.940 20 0 GFADMN CC(C)(NC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000826621421 602396197 /nfs/dbraw/zinc/39/61/97/602396197.db2.gz QRMGBCWKBVQSRL-UHFFFAOYSA-N 0 1 398.301 2.576 20 0 GFADMN COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832324148 602397067 /nfs/dbraw/zinc/39/70/67/602397067.db2.gz UDGVLEIRLUYAKF-SFHVURJKSA-N 0 1 397.475 2.809 20 0 GFADMN CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739496167 602527382 /nfs/dbraw/zinc/52/73/82/602527382.db2.gz DNTJSCHTHXCXON-QFBILLFUSA-N 0 1 389.496 2.681 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737558977 602534142 /nfs/dbraw/zinc/53/41/42/602534142.db2.gz FALRYNABIVWSDL-ZDUSSCGKSA-N 0 1 390.509 2.717 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1)C(=O)[O-] ZINC000739665550 602539083 /nfs/dbraw/zinc/53/90/83/602539083.db2.gz KQZZRCSVEWBSLZ-NSHDSACASA-N 0 1 385.258 2.652 20 0 GFADMN C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000738938589 602561189 /nfs/dbraw/zinc/56/11/89/602561189.db2.gz JVARVIKFCSUJJM-SJCJKPOMSA-N 0 1 379.457 2.681 20 0 GFADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000738938589 602561191 /nfs/dbraw/zinc/56/11/91/602561191.db2.gz JVARVIKFCSUJJM-SJCJKPOMSA-N 0 1 379.457 2.681 20 0 GFADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000740692132 602571190 /nfs/dbraw/zinc/57/11/90/602571190.db2.gz UVQVKLBFKHBPCW-LEWJYISDSA-N 0 1 395.503 2.894 20 0 GFADMN O=C([O-])N(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000740436292 602576400 /nfs/dbraw/zinc/57/64/00/602576400.db2.gz DAFCRPZZIUWGAZ-JLYLLQBASA-N 0 1 386.496 2.624 20 0 GFADMN CN(C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000739661690 602578044 /nfs/dbraw/zinc/57/80/44/602578044.db2.gz UCXNBBGATFEUBF-NEPJUHHUSA-N 0 1 377.268 2.665 20 0 GFADMN CN(C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000739661868 602578105 /nfs/dbraw/zinc/57/81/05/602578105.db2.gz UCXNBBGATFEUBF-VXGBXAGGSA-N 0 1 377.268 2.665 20 0 GFADMN C[C@@H](CNC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738915751 602631917 /nfs/dbraw/zinc/63/19/17/602631917.db2.gz IJBLGYDFKLDNSL-FUHWJXTLSA-N 0 1 376.501 2.538 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1)C(=O)[O-] ZINC000739662940 602666466 /nfs/dbraw/zinc/66/64/66/602666466.db2.gz CHOMCVSVPLAYKZ-GFCCVEGCSA-N 0 1 394.269 2.653 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739109361 602709520 /nfs/dbraw/zinc/70/95/20/602709520.db2.gz RPZWLPJZBIQXLD-MRXNPFEDSA-N 0 1 376.501 2.797 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739180731 602775441 /nfs/dbraw/zinc/77/54/41/602775441.db2.gz ZSNQNLASKDGMGU-WQGACYEGSA-N 0 1 385.867 2.804 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCN(C(=O)[O-])C3)c2)C[C@@H](C)O1 ZINC000737764016 602809683 /nfs/dbraw/zinc/80/96/83/602809683.db2.gz OJXXQRUFSCASNV-INMHGKMJSA-N 0 1 375.469 2.624 20 0 GFADMN CSCC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000739999920 602850723 /nfs/dbraw/zinc/85/07/23/602850723.db2.gz SSQZVFMPYMTPGE-JQHSSLGASA-N 0 1 393.553 2.887 20 0 GFADMN COc1ccc2sc(C(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)c(C)c2c1 ZINC000739944215 602851982 /nfs/dbraw/zinc/85/19/82/602851982.db2.gz YIWLCPXZFLCHTF-UHFFFAOYSA-N 0 1 391.493 2.634 20 0 GFADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737441470 602853683 /nfs/dbraw/zinc/85/36/83/602853683.db2.gz OUEMRHSESPXPJZ-UHFFFAOYSA-N 0 1 382.464 2.671 20 0 GFADMN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000739970286 602892916 /nfs/dbraw/zinc/89/29/16/602892916.db2.gz VRBUFGIYNIBNQT-QGZVFWFLSA-N 0 1 381.392 2.532 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000740050018 602975929 /nfs/dbraw/zinc/97/59/29/602975929.db2.gz VQHFHFRBRBMJMN-LBPRGKRZSA-N 0 1 384.274 2.628 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000740621420 602981057 /nfs/dbraw/zinc/98/10/57/602981057.db2.gz XBEALBDABCFYCU-LZLYRXPVSA-N 0 1 377.460 2.590 20 0 GFADMN CCCN(C(=O)CC(C)(C)NC(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000739354706 603050562 /nfs/dbraw/zinc/05/05/62/603050562.db2.gz ZEAFDYYVQXXMDZ-UHFFFAOYSA-N 0 1 391.516 2.737 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3CCC(NC(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000739186903 603065014 /nfs/dbraw/zinc/06/50/14/603065014.db2.gz UXBMLPQPYRTMAQ-MYMYQCDVSA-N 0 1 389.496 2.604 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3CCC(NC(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000739186903 603065020 /nfs/dbraw/zinc/06/50/20/603065020.db2.gz UXBMLPQPYRTMAQ-MYMYQCDVSA-N 0 1 389.496 2.604 20 0 GFADMN CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000826688754 603091644 /nfs/dbraw/zinc/09/16/44/603091644.db2.gz APNBBZYVDPNNHM-LRDDRELGSA-N 0 1 381.860 2.613 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000739080705 603118701 /nfs/dbraw/zinc/11/87/01/603118701.db2.gz OGEKFWSZSZGAGM-CALCHBBNSA-N 0 1 387.524 2.666 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736360703 603133030 /nfs/dbraw/zinc/13/30/30/603133030.db2.gz AMZWERACTJGGLQ-GJZGRUSLSA-N 0 1 387.402 2.688 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739716764 603279013 /nfs/dbraw/zinc/27/90/13/603279013.db2.gz UPZNCSOXTBNANN-QGZVFWFLSA-N 0 1 389.477 2.581 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000739716764 603279015 /nfs/dbraw/zinc/27/90/15/603279015.db2.gz UPZNCSOXTBNANN-QGZVFWFLSA-N 0 1 389.477 2.581 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@@H](C)O1 ZINC000739177306 603333679 /nfs/dbraw/zinc/33/36/79/603333679.db2.gz OQWCQYREXUJEBT-HUUCEWRRSA-N 0 1 392.500 2.806 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000740526463 603369279 /nfs/dbraw/zinc/36/92/79/603369279.db2.gz GLDUUQWZXGGVDA-MRXNPFEDSA-N 0 1 378.473 2.592 20 0 GFADMN C[C@@H](CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)NC(=O)[O-] ZINC000824624202 603370976 /nfs/dbraw/zinc/37/09/76/603370976.db2.gz YFAJCFGCOLEVRR-LBPRGKRZSA-N 0 1 387.402 2.832 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CC[C@H]1NC(=O)[O-] ZINC000739184224 603411924 /nfs/dbraw/zinc/41/19/24/603411924.db2.gz WBWZGVPAJCJWED-WCQYABFASA-N 0 1 384.274 2.756 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178897 603414004 /nfs/dbraw/zinc/41/40/04/603414004.db2.gz SSPQRCHCGHXHSJ-CKYFFXLPSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178897 603414005 /nfs/dbraw/zinc/41/40/05/603414005.db2.gz SSPQRCHCGHXHSJ-CKYFFXLPSA-N 0 1 380.445 2.740 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000832333515 603418237 /nfs/dbraw/zinc/41/82/37/603418237.db2.gz SDOXTLPOBXYSFU-DLBZAZTESA-N 0 1 386.452 2.863 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794055 603479142 /nfs/dbraw/zinc/47/91/42/603479142.db2.gz FNDLZCWZIJDNAM-NEWSRXKRSA-N 0 1 388.512 2.729 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000826183251 607637278 /nfs/dbraw/zinc/63/72/78/607637278.db2.gz JGPYLIANKWENIG-RBUKOAKNSA-N 0 1 379.464 2.963 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826183249 607637658 /nfs/dbraw/zinc/63/76/58/607637658.db2.gz JGPYLIANKWENIG-MOPGFXCFSA-N 0 1 379.464 2.963 20 0 GFADMN Cc1cc(N2CCC(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000830079962 603586752 /nfs/dbraw/zinc/58/67/52/603586752.db2.gz XHSBNIAPGXTOKO-UHFFFAOYSA-N 0 1 387.415 2.721 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])C1 ZINC000825924442 603696943 /nfs/dbraw/zinc/69/69/43/603696943.db2.gz HXNICTGWPUZORK-QFBILLFUSA-N 0 1 388.512 2.860 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825900361 603698295 /nfs/dbraw/zinc/69/82/95/603698295.db2.gz GTCYVCSIEFAKAE-IAGOWNOFSA-N 0 1 389.496 2.764 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828406906 603714708 /nfs/dbraw/zinc/71/47/08/603714708.db2.gz JNMNQLJCFPXGMQ-CRAIPNDOSA-N 0 1 385.464 2.964 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000828406906 603714711 /nfs/dbraw/zinc/71/47/11/603714711.db2.gz JNMNQLJCFPXGMQ-CRAIPNDOSA-N 0 1 385.464 2.964 20 0 GFADMN CN(C(=O)NCC[C@H]1CCN(C(=O)[O-])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000827793608 603899658 /nfs/dbraw/zinc/89/96/58/603899658.db2.gz CPFPXUMETCZKJR-OALUTQOASA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000825951076 603999866 /nfs/dbraw/zinc/99/98/66/603999866.db2.gz QRGLNSGSPICGQX-OAHLLOKOSA-N 0 1 387.484 2.669 20 0 GFADMN C[C@@H](CCNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000824786449 604044275 /nfs/dbraw/zinc/04/42/75/604044275.db2.gz MIJPKQIMNFRAFG-FUHWJXTLSA-N 0 1 376.501 2.538 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000825279944 604044819 /nfs/dbraw/zinc/04/48/19/604044819.db2.gz DJGRKVSTAGYMGW-DLBZAZTESA-N 0 1 390.528 2.975 20 0 GFADMN CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000827765448 604087812 /nfs/dbraw/zinc/08/78/12/604087812.db2.gz QURVFFSSLRONNG-LJQANCHMSA-N 0 1 381.476 2.966 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000827765448 604087818 /nfs/dbraw/zinc/08/78/18/604087818.db2.gz QURVFFSSLRONNG-LJQANCHMSA-N 0 1 381.476 2.966 20 0 GFADMN COCCn1c(C)cc(C(=O)C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1C ZINC000829030167 604111995 /nfs/dbraw/zinc/11/19/95/604111995.db2.gz JDJWZNKJELOXBB-UHFFFAOYSA-N 0 1 377.485 2.541 20 0 GFADMN COCCn1c(C)cc(C(=O)C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1C ZINC000829030167 604111999 /nfs/dbraw/zinc/11/19/99/604111999.db2.gz JDJWZNKJELOXBB-UHFFFAOYSA-N 0 1 377.485 2.541 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909587 604113710 /nfs/dbraw/zinc/11/37/10/604113710.db2.gz VXEFEMJYLZTPLN-AWEZNQCLSA-N 0 1 376.482 2.665 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909587 604113712 /nfs/dbraw/zinc/11/37/12/604113712.db2.gz VXEFEMJYLZTPLN-AWEZNQCLSA-N 0 1 376.482 2.665 20 0 GFADMN CCCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000826854258 604171843 /nfs/dbraw/zinc/17/18/43/604171843.db2.gz ZUCQXYUCXVPGTL-AWEZNQCLSA-N 0 1 391.516 2.547 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)C2CC2)cc1 ZINC000829310654 604175393 /nfs/dbraw/zinc/17/53/93/604175393.db2.gz IJOIOQHXAPPZBM-GZRFBZBPSA-N 0 1 389.496 2.631 20 0 GFADMN C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000824777533 607678846 /nfs/dbraw/zinc/67/88/46/607678846.db2.gz JQDZVVKFPATFEX-GFCCVEGCSA-N 0 1 384.875 2.948 20 0 GFADMN C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000824777533 607678848 /nfs/dbraw/zinc/67/88/48/607678848.db2.gz JQDZVVKFPATFEX-GFCCVEGCSA-N 0 1 384.875 2.948 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000825274750 604223379 /nfs/dbraw/zinc/22/33/79/604223379.db2.gz VKEVPWAOYVHNEC-VXGBXAGGSA-N 0 1 381.274 2.965 20 0 GFADMN COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000829625997 604230848 /nfs/dbraw/zinc/23/08/48/604230848.db2.gz ACGPEXAJHYUXMH-HNNXBMFYSA-N 0 1 389.496 2.554 20 0 GFADMN C[C@@H](CCNC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000825226598 604271444 /nfs/dbraw/zinc/27/14/44/604271444.db2.gz 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CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833488883 605745659 /nfs/dbraw/zinc/74/56/59/605745659.db2.gz OSZUYIOFXSVPBM-HNNXBMFYSA-N 0 1 388.512 2.824 20 0 GFADMN O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000834088252 605817842 /nfs/dbraw/zinc/81/78/42/605817842.db2.gz KWCMOVGCJCRKDI-GOSISDBHSA-N 0 1 389.471 2.640 20 0 GFADMN O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000834088252 605817847 /nfs/dbraw/zinc/81/78/47/605817847.db2.gz KWCMOVGCJCRKDI-GOSISDBHSA-N 0 1 389.471 2.640 20 0 GFADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCN(CCn2cccn2)CC1 ZINC000833694546 605832918 /nfs/dbraw/zinc/83/29/18/605832918.db2.gz LVLXYUCSLVEEEN-UHFFFAOYSA-N 0 1 376.888 2.831 20 0 GFADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCN(CCn2cccn2)CC1 ZINC000833694546 605832923 /nfs/dbraw/zinc/83/29/23/605832923.db2.gz LVLXYUCSLVEEEN-UHFFFAOYSA-N 0 1 376.888 2.831 20 0 GFADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000833694615 605833008 /nfs/dbraw/zinc/83/30/08/605833008.db2.gz PHWXNXYWODMVDH-MRXNPFEDSA-N 0 1 388.443 2.881 20 0 GFADMN O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000834029648 605834259 /nfs/dbraw/zinc/83/42/59/605834259.db2.gz VJGHLZPLEVMOAP-WBVHZDCISA-N 0 1 391.537 2.856 20 0 GFADMN CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000833663025 605851496 /nfs/dbraw/zinc/85/14/96/605851496.db2.gz FJYPCTRFCJGJNL-HOCLYGCPSA-N 0 1 378.469 2.600 20 0 GFADMN CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1OC ZINC000833663025 605851499 /nfs/dbraw/zinc/85/14/99/605851499.db2.gz FJYPCTRFCJGJNL-HOCLYGCPSA-N 0 1 378.469 2.600 20 0 GFADMN CN(C)c1cccc(C[NH2+][C@@H]2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)n1 ZINC000833870786 605852309 /nfs/dbraw/zinc/85/23/09/605852309.db2.gz HHTAQMRWILDBAL-DYESRHJHSA-N 0 1 382.464 2.884 20 0 GFADMN CCC(CC)[C@H](CNC(=O)c1ccc(NC(=O)[O-])c(C)c1)[NH+]1CCOCC1 ZINC000826566588 605875739 /nfs/dbraw/zinc/87/57/39/605875739.db2.gz PIKKWAGYZASFNT-SFHVURJKSA-N 0 1 377.485 2.952 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000833833160 605890212 /nfs/dbraw/zinc/89/02/12/605890212.db2.gz WQEALMYGWRVMCQ-UKRRQHHQSA-N 0 1 387.402 2.556 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000833833160 605890213 /nfs/dbraw/zinc/89/02/13/605890213.db2.gz WQEALMYGWRVMCQ-UKRRQHHQSA-N 0 1 387.402 2.556 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000833614978 605903139 /nfs/dbraw/zinc/90/31/39/605903139.db2.gz YLLGRRKIMQMTSO-LSDHHAIUSA-N 0 1 389.496 2.683 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000833827543 605908929 /nfs/dbraw/zinc/90/89/29/605908929.db2.gz BGALOFSMEUBKQW-WOPDTQHZSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)[N@H+](C)Cc1ccccc1 ZINC000833789793 606104358 /nfs/dbraw/zinc/10/43/58/606104358.db2.gz LMTRCURBIYWJIE-WMLDXEAASA-N 0 1 382.464 2.666 20 0 GFADMN C[C@@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)[N@@H+](C)Cc1ccccc1 ZINC000833789793 606104359 /nfs/dbraw/zinc/10/43/59/606104359.db2.gz LMTRCURBIYWJIE-WMLDXEAASA-N 0 1 382.464 2.666 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579698 606115054 /nfs/dbraw/zinc/11/50/54/606115054.db2.gz KXHGHRVCBNKUIR-INIZCTEOSA-N 0 1 385.859 2.945 20 0 GFADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccccc1-c1nn[nH]n1 ZINC000820563300 606159647 /nfs/dbraw/zinc/15/96/47/606159647.db2.gz PSQVGBOGVILILR-PGGUUEOZSA-N 0 1 385.493 2.676 20 0 GFADMN O=S(=O)(CCN1CCC[C@@H]1C1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823561555 606186850 /nfs/dbraw/zinc/18/68/50/606186850.db2.gz FIRNVRBUAZAKLX-GOSISDBHSA-N 0 1 389.525 2.685 20 0 GFADMN CCS[C@H]1CCCCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821454949 606322234 /nfs/dbraw/zinc/32/22/34/606322234.db2.gz HVKVJOCIWDVBKT-GXTWGEPZSA-N 0 1 392.554 2.641 20 0 GFADMN O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)c1cccnc1 ZINC000823323658 606415471 /nfs/dbraw/zinc/41/54/71/606415471.db2.gz XZMVCCNAFKZXNX-UHFFFAOYSA-N 0 1 391.460 2.865 20 0 GFADMN O=C(Nc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)c1cccnc1 ZINC000823323658 606415473 /nfs/dbraw/zinc/41/54/73/606415473.db2.gz XZMVCCNAFKZXNX-UHFFFAOYSA-N 0 1 391.460 2.865 20 0 GFADMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822016332 606505202 /nfs/dbraw/zinc/50/52/02/606505202.db2.gz XRXZHLLGQJCFNA-GFCCVEGCSA-N 0 1 397.458 2.836 20 0 GFADMN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1c1cccs1 ZINC000821623382 606573299 /nfs/dbraw/zinc/57/32/99/606573299.db2.gz KEDGSVQJSDLMCX-XHDPSFHLSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1c1cccs1 ZINC000821623382 606573300 /nfs/dbraw/zinc/57/33/00/606573300.db2.gz KEDGSVQJSDLMCX-XHDPSFHLSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1cccs1 ZINC000821623382 606573305 /nfs/dbraw/zinc/57/33/05/606573305.db2.gz KEDGSVQJSDLMCX-XHDPSFHLSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1cccs1 ZINC000821623382 606573307 /nfs/dbraw/zinc/57/33/07/606573307.db2.gz KEDGSVQJSDLMCX-XHDPSFHLSA-N 0 1 388.522 2.803 20 0 GFADMN Cc1ccc2cccc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3C)c2n1 ZINC000822280041 606632969 /nfs/dbraw/zinc/63/29/69/606632969.db2.gz IISGJTRIGOJNBR-UHFFFAOYSA-N 0 1 380.433 2.833 20 0 GFADMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823391961 606750369 /nfs/dbraw/zinc/75/03/69/606750369.db2.gz JPZOXFFHSZFHDH-CQSZACIVSA-N 0 1 385.374 2.576 20 0 GFADMN Cc1csc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC000822414633 606895961 /nfs/dbraw/zinc/89/59/61/606895961.db2.gz NVXNHPCNTIUFOF-OAHLLOKOSA-N 0 1 399.524 2.611 20 0 GFADMN CCc1nnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821523547 606922307 /nfs/dbraw/zinc/92/23/07/606922307.db2.gz XZGVMDVKHGIZTR-UHFFFAOYSA-N 0 1 398.559 2.874 20 0 GFADMN CCN1C[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)Oc2ccccc21 ZINC000821242544 606961282 /nfs/dbraw/zinc/96/12/82/606961282.db2.gz VARHXDUBJXSSMY-OAHLLOKOSA-N 0 1 382.443 2.725 20 0 GFADMN CCN1C[C@@H](C[N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)Oc2ccccc21 ZINC000821242544 606961284 /nfs/dbraw/zinc/96/12/84/606961284.db2.gz VARHXDUBJXSSMY-OAHLLOKOSA-N 0 1 382.443 2.725 20 0 GFADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1ccc(F)cc1 ZINC000823155062 606962595 /nfs/dbraw/zinc/96/25/95/606962595.db2.gz NVEZROFRBFNUQT-UHFFFAOYSA-N 0 1 398.417 2.539 20 0 GFADMN O=C(NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccc(F)cc1 ZINC000823154442 607059304 /nfs/dbraw/zinc/05/93/04/607059304.db2.gz BDNABMYKRWWOSU-UHFFFAOYSA-N 0 1 398.417 2.539 20 0 GFADMN CCCC1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821033875 607125159 /nfs/dbraw/zinc/12/51/59/607125159.db2.gz GIEDQIFDTPONIE-UHFFFAOYSA-N 0 1 397.527 2.664 20 0 GFADMN CCC[C@@H](C)[C@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821016720 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/nfs/dbraw/zinc/92/36/93/607923693.db2.gz UCPDHYATUGUXSC-JQHSSLGASA-N 0 1 399.495 2.679 20 0 GFADMN O=C(c1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826473969 607964512 /nfs/dbraw/zinc/96/45/12/607964512.db2.gz VOLOLSLYDHNAGT-MRXNPFEDSA-N 0 1 386.419 2.629 20 0 GFADMN Cc1cnn(CCCCCN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826320446 608072055 /nfs/dbraw/zinc/07/20/55/608072055.db2.gz REIXIVSUEZLASQ-IBGZPJMESA-N 0 1 381.484 2.615 20 0 GFADMN c1csc(CN2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)c1 ZINC000826526247 608222664 /nfs/dbraw/zinc/22/26/64/608222664.db2.gz QKEWLUQUNKBGNR-UHFFFAOYSA-N 0 1 377.477 2.799 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000824977875 608264891 /nfs/dbraw/zinc/26/48/91/608264891.db2.gz SPDSKVZBVBWPRS-HOTGVXAUSA-N 0 1 391.479 2.993 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824892776 608411504 /nfs/dbraw/zinc/41/15/04/608411504.db2.gz MNZJKHVYJGVPLP-TZMCWYRMSA-N 0 1 390.463 2.883 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O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000957008756 665012874 /nfs/dbraw/zinc/01/28/74/665012874.db2.gz CMQRZEJCWGBPQV-SNVBAGLBSA-N 0 1 379.251 2.708 20 0 GFADMN C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001000486227 665046910 /nfs/dbraw/zinc/04/69/10/665046910.db2.gz UDQSTCZRIIDZOB-VZAMPYOESA-N 0 1 381.929 2.605 20 0 GFADMN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)C1 ZINC001000485820 665046919 /nfs/dbraw/zinc/04/69/19/665046919.db2.gz RNLAMCCFXTXOTE-RZFFKMDDSA-N 0 1 381.929 2.605 20 0 GFADMN Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)[nH]n1 ZINC001001954074 665053241 /nfs/dbraw/zinc/05/32/41/665053241.db2.gz KIRSUINAEULUIQ-DFBGVHRSSA-N 0 1 378.885 2.537 20 0 GFADMN Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc(C)[nH]2)c1Cl ZINC001002963657 665058028 /nfs/dbraw/zinc/05/80/28/665058028.db2.gz CQRIHHAVDQDHCU-WZRBSPASSA-N 0 1 378.885 2.917 20 0 GFADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1)c1c(Cl)cccc1Cl ZINC001006064082 665068591 /nfs/dbraw/zinc/06/85/91/665068591.db2.gz JREOSCHLBSAXHR-FZQKWOKYSA-N 0 1 379.247 2.892 20 0 GFADMN C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cscc2Cl)C1 ZINC001006289834 665069928 /nfs/dbraw/zinc/06/99/28/665069928.db2.gz UDQSTCZRIIDZOB-BHTHQVBYSA-N 0 1 381.929 2.605 20 0 GFADMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@H]2C1 ZINC001048944332 665077261 /nfs/dbraw/zinc/07/72/61/665077261.db2.gz TYFLJYWWULTUMO-CZXAMWOSSA-N 0 1 378.925 2.715 20 0 GFADMN Cc1nc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c(Br)n1C ZINC000385744375 677407163 /nfs/dbraw/zinc/40/71/63/677407163.db2.gz MKQFUZGBLLVSDW-UHFFFAOYSA-N 0 1 384.177 2.709 20 0 GFADMN Cc1noc(C)c1CNCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000121653996 677399850 /nfs/dbraw/zinc/39/98/50/677399850.db2.gz OAZMGQBBVJOFAI-UHFFFAOYSA-N 0 1 378.372 2.754 20 0 GFADMN CN(CCOc1ccc(Br)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000476664888 677673109 /nfs/dbraw/zinc/67/31/09/677673109.db2.gz QLXKQQZXHNISBF-QGZVFWFLSA-N 0 1 397.313 2.540 20 0 GFADMN OC[C@H]1CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1O ZINC000580252505 677673970 /nfs/dbraw/zinc/67/39/70/677673970.db2.gz AGRNGKFYBCZFFI-CZUORRHYSA-N 0 1 377.897 2.891 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000580290696 677674109 /nfs/dbraw/zinc/67/41/09/677674109.db2.gz XYEPRGYRPLXMFA-SWLSCSKDSA-N 0 1 379.258 2.692 20 0 GFADMN C[C@@H]1CN(c2ncccc2C(=O)NCCSCc2ccco2)[C@@H](C)CN1C ZINC001164641628 719216060 /nfs/dbraw/zinc/21/60/60/719216060.db2.gz USTBEGBVXITBDA-CVEARBPZSA-N 0 1 388.537 2.867 20 0 GFADMN CSCc1nc2sc3c(c2c(N2C[C@@H]4OCCN(C)[C@H]4C2)n1)CCCC3 ZINC001164674361 719442542 /nfs/dbraw/zinc/44/25/42/719442542.db2.gz WLDXCSCZVDZBKN-KBPBESRZSA-N 0 1 390.578 2.952 20 0 GFADMN CSCc1nc2sc3c(c2c(N2C[C@H]4OCCN(C)[C@@H]4C2)n1)CCCC3 ZINC001164674368 719443112 /nfs/dbraw/zinc/44/31/12/719443112.db2.gz WLDXCSCZVDZBKN-ZIAGYGMSSA-N 0 1 390.578 2.952 20 0 GFADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164685310 719716229 /nfs/dbraw/zinc/71/62/29/719716229.db2.gz UVJSCPMOMDHPRC-UHFFFAOYSA-N 0 1 390.837 2.600 20 0 GFADMN c1csc(CN2CCOC3(CCN(c4ncnc5cnccc54)CC3)C2)c1 ZINC001164695281 719888490 /nfs/dbraw/zinc/88/84/90/719888490.db2.gz LEUABNICZPFGFR-UHFFFAOYSA-N 0 1 381.505 2.958 20 0 GFADMN c1csc(CN2CCOC3(CCN(c4ncc5c(n4)CCCN5)CC3)C2)c1 ZINC001164696172 719892145 /nfs/dbraw/zinc/89/21/45/719892145.db2.gz AJZOYKHTIUDVKA-UHFFFAOYSA-N 0 1 385.537 2.768 20 0 GFADMN Cc1nc(-c2ccncc2)cc(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736076 720586141 /nfs/dbraw/zinc/58/61/41/720586141.db2.gz AIHFFZQCXGISHO-UHFFFAOYSA-N 0 1 389.507 2.702 20 0 GFADMN CCOC(=O)c1ncnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1C ZINC001164856315 720970607 /nfs/dbraw/zinc/97/06/07/720970607.db2.gz BHPMEMBBHHWVQO-OAHLLOKOSA-N 0 1 386.500 2.580 20 0 GFADMN Clc1cnc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868664 721050316 /nfs/dbraw/zinc/05/03/16/721050316.db2.gz PGKFDGJSOMEQMO-KBPBESRZSA-N 0 1 380.279 2.658 20 0 GFADMN FC(F)(c1nccc(Cl)n1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867367 721055652 /nfs/dbraw/zinc/05/56/52/721055652.db2.gz IPMQQWUYCBJADQ-GJZGRUSLSA-N 0 1 395.841 2.550 20 0 GFADMN CSc1nc(Cl)ncc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865691 721088113 /nfs/dbraw/zinc/08/81/13/721088113.db2.gz OKIJEJWIROJSSV-GJZGRUSLSA-N 0 1 391.928 2.727 20 0 GFADMN FC(F)(c1cnnc(Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862759 721090446 /nfs/dbraw/zinc/09/04/46/721090446.db2.gz AETDZANSHNRGFM-CVEARBPZSA-N 0 1 395.841 2.550 20 0 GFADMN Cn1cc(CN2CC[C@@H]3CN(c4cnc5c(Cl)cccc5n4)C[C@H]3C2)cn1 ZINC001164772772 721108550 /nfs/dbraw/zinc/10/85/50/721108550.db2.gz WQLPGLCWQPWFKM-HZPDHXFCSA-N 0 1 382.899 2.975 20 0 GFADMN CSc1ncc(Cl)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761990 721188607 /nfs/dbraw/zinc/18/86/07/721188607.db2.gz BJURBYGPCWHUTK-KBPBESRZSA-N 0 1 378.933 2.544 20 0 GFADMN Cc1cccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c12 ZINC001164891408 721415377 /nfs/dbraw/zinc/41/53/77/721415377.db2.gz VZNQJFFJSOMIDV-AUSIDOKSSA-N 0 1 395.551 2.704 20 0 GFADMN CSc1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892955 721417853 /nfs/dbraw/zinc/41/78/53/721417853.db2.gz ZKDURNCQUVFWFX-YLJYHZDGSA-N 0 1 376.570 2.569 20 0 GFADMN CCOC(=O)c1cc2ccc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)[nH]c-2n1 ZINC001164781229 721418904 /nfs/dbraw/zinc/41/89/04/721418904.db2.gz DDEIOKMHTFHTKW-GJZGRUSLSA-N 0 1 397.504 2.764 20 0 GFADMN Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc2[nH]ccc21 ZINC001164891916 721423213 /nfs/dbraw/zinc/42/32/13/721423213.db2.gz WQFAFMWANZHBFQ-AVRDEDQJSA-N 0 1 383.540 2.637 20 0 GFADMN Cc1cc2c(ccnc2N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)o1 ZINC001164893130 721439982 /nfs/dbraw/zinc/43/99/82/721439982.db2.gz JFRDWMMOPIAYRX-GCJKJVERSA-N 0 1 384.524 2.902 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc3nc[nH]c3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802202 721562820 /nfs/dbraw/zinc/56/28/20/721562820.db2.gz HPLFHHWYFXSUKB-RCCFBDPRSA-N 0 1 398.898 2.875 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc3[nH]cnc3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802202 721562824 /nfs/dbraw/zinc/56/28/24/721562824.db2.gz HPLFHHWYFXSUKB-RCCFBDPRSA-N 0 1 398.898 2.875 20 0 GFADMN Cc1nc2c(c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n1)CCC2 ZINC001164798209 721571039 /nfs/dbraw/zinc/57/10/39/721571039.db2.gz AVNZXZDOGGTCHY-HKBOAZHASA-N 0 1 379.508 2.537 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2csc3ncnc(Cl)c23)CC1 ZINC001165010117 721734773 /nfs/dbraw/zinc/73/47/73/721734773.db2.gz AXNDOMOCCMWRBF-UHFFFAOYSA-N 0 1 393.944 2.868 20 0 GFADMN CCOc1ccnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022391 721840456 /nfs/dbraw/zinc/84/04/56/721840456.db2.gz RVHGBQBHIRTRHT-UHFFFAOYSA-N 0 1 386.496 2.993 20 0 GFADMN CC(C)(C)NC(=O)c1ccc(Cl)nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967584 722073002 /nfs/dbraw/zinc/07/30/02/722073002.db2.gz QUVSOBVEDVJKBW-GASCZTMLSA-N 0 1 392.931 2.563 20 0 GFADMN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc2c1 ZINC001164980028 722099375 /nfs/dbraw/zinc/09/93/75/722099375.db2.gz IVSFXCUGPRHOGB-PZJWPPBQSA-N 0 1 375.476 2.752 20 0 GFADMN Clc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976341 722102212 /nfs/dbraw/zinc/10/22/12/722102212.db2.gz CQHZUGBEWPLFQP-GOEBONIOSA-N 0 1 394.306 2.906 20 0 GFADMN C[C@@H]1C(=O)Nc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164995444 722201540 /nfs/dbraw/zinc/20/15/40/722201540.db2.gz NSRDWMSIPORXGN-QKKBWIMNSA-N 0 1 381.455 2.916 20 0 GFADMN Cc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ncc1Br ZINC000623368932 532387961 /nfs/dbraw/zinc/38/79/61/532387961.db2.gz FYGFNOSEXKWKNE-UHFFFAOYSA-N 0 1 376.302 2.911 20 0 GFADMN CO[C@]1(CNCc2c(Br)cncc2Br)CCOC1 ZINC000394587997 563530025 /nfs/dbraw/zinc/53/00/25/563530025.db2.gz XBKLXOMXQPRHCF-LBPRGKRZSA-N 0 1 380.080 2.502 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000186638857 212077326 /nfs/dbraw/zinc/07/73/26/212077326.db2.gz JPMFBARBNMOROM-UHFFFAOYSA-N 0 1 376.350 2.856 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000186639807 212077038 /nfs/dbraw/zinc/07/70/38/212077038.db2.gz HIMLMXJAYCPIMU-UHFFFAOYSA-N 0 1 387.249 2.599 20 0 GFADMN COc1cc(CC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc(OC)c1OC ZINC000008117029 221027489 /nfs/dbraw/zinc/02/74/89/221027489.db2.gz URDJMLWCFWNJIW-UHFFFAOYSA-N 0 1 382.420 2.987 20 0 GFADMN CC(=O)N1CCc2cc(C(=O)Nc3cccc(CN4CCN(C)CC4)c3)ccc21 ZINC000057054848 222028832 /nfs/dbraw/zinc/02/88/32/222028832.db2.gz XOYMDWJKNAICQD-UHFFFAOYSA-N 0 1 392.503 2.595 20 0 GFADMN CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000064467689 222071478 /nfs/dbraw/zinc/07/14/78/222071478.db2.gz SOROPRFMIHFATJ-UHFFFAOYSA-N 0 1 376.459 2.549 20 0 GFADMN COc1ccc(NC(=O)CSC)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008033638 551102826 /nfs/dbraw/zinc/10/28/26/551102826.db2.gz ZSABIOSPHATBRF-UHFFFAOYSA-N 0 1 384.454 2.937 20 0 GFADMN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000011650640 551107449 /nfs/dbraw/zinc/10/74/49/551107449.db2.gz 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NCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)o1 ZINC000237949104 553084126 /nfs/dbraw/zinc/08/41/26/553084126.db2.gz XSHKNGDUBXSMIW-UHFFFAOYSA-N 0 1 382.247 2.643 20 0 GFADMN O=C([O-])c1csc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000237964008 553084697 /nfs/dbraw/zinc/08/46/97/553084697.db2.gz DHKFAMPZADUGHO-LBPRGKRZSA-N 0 1 386.520 2.623 20 0 GFADMN Cc1nc([C@@H]2CN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CCO2)n[nH]1 ZINC000245441068 553090621 /nfs/dbraw/zinc/09/06/21/553090621.db2.gz HAMSMXUNAOIMPM-OTYXRUKQSA-N 0 1 384.267 2.820 20 0 GFADMN C[C@@H]1Cc2cc(S(=O)(=O)N3CCCC[C@H]3c3nnc[nH]3)cc(Cl)c2O1 ZINC000245754191 553096170 /nfs/dbraw/zinc/09/61/70/553096170.db2.gz HKBMRNFVISYKIK-YGRLFVJLSA-N 0 1 382.873 2.697 20 0 GFADMN CC[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CCN1C[C@H](C)O ZINC000247073260 553117817 /nfs/dbraw/zinc/11/78/17/553117817.db2.gz ZXBVXIFFFRHJIM-STQMWFEESA-N 0 1 394.313 2.848 20 0 GFADMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1Br ZINC000249166376 553140056 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GFADMN O=S(=O)(Cc1ccc(Br)cc1)NC[C@@H]1NCCc2ccccc21 ZINC000262328145 553169377 /nfs/dbraw/zinc/16/93/77/553169377.db2.gz RHKWJBQBSJHQCA-KRWDZBQOSA-N 0 1 395.322 2.756 20 0 GFADMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC[NH2+]1 ZINC000262799233 553176444 /nfs/dbraw/zinc/17/64/44/553176444.db2.gz QJGCTCGJXOQHKN-VXNVDRBHSA-N 0 1 385.686 2.660 20 0 GFADMN Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)sc1Br ZINC000416560525 563848188 /nfs/dbraw/zinc/84/81/88/563848188.db2.gz SLUSIGLLTUJUBV-LLVKDONJSA-N 0 1 381.361 2.829 20 0 GFADMN CCCN(CCN(C)C)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000511424726 564371575 /nfs/dbraw/zinc/37/15/75/564371575.db2.gz HRTKGAMHUJINGL-UHFFFAOYSA-N 0 1 385.302 2.831 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](COC(F)F)C1 ZINC000512844679 564413952 /nfs/dbraw/zinc/41/39/52/564413952.db2.gz OOZVZOXLQDBXLH-GFCCVEGCSA-N 0 1 391.256 2.969 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1ccc(OC)cc1I ZINC000570042380 564488187 /nfs/dbraw/zinc/48/81/87/564488187.db2.gz SMUHRXWUWPCULG-NSHDSACASA-N 0 1 388.249 2.514 20 0 GFADMN OCC1(NCc2ncc(Br)cc2Br)CCSCC1 ZINC000459725718 564758319 /nfs/dbraw/zinc/75/83/19/564758319.db2.gz LCVBFRUORVHXII-UHFFFAOYSA-N 0 1 396.148 2.954 20 0 GFADMN C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C[NH+](C)C ZINC000490041090 564760997 /nfs/dbraw/zinc/76/09/97/564760997.db2.gz GDFRPSHOMQPNRV-MRVPVSSYSA-N 0 1 387.702 2.718 20 0 GFADMN CO[C@@H](C)CS(=O)(=O)Nc1noc(-c2ccccc2)c1Br ZINC000296116699 563275487 /nfs/dbraw/zinc/27/54/87/563275487.db2.gz YCGVMMUQLWDURG-VIFPVBQESA-N 0 1 375.244 2.881 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000294772914 563215938 /nfs/dbraw/zinc/21/59/38/563215938.db2.gz JNNJQHZAKLOMDW-HEHGZKQESA-N 0 1 399.329 2.698 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]1C[C@H](C)O ZINC000294772914 563215942 /nfs/dbraw/zinc/21/59/42/563215942.db2.gz JNNJQHZAKLOMDW-HEHGZKQESA-N 0 1 399.329 2.698 20 0 GFADMN Cc1nn(C)c(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000369627598 563219654 /nfs/dbraw/zinc/21/96/54/563219654.db2.gz GFURRUTVRADLBA-KCQAQPDRSA-N 0 1 385.350 2.565 20 0 GFADMN Cn1ncc(Br)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000294909960 563221833 /nfs/dbraw/zinc/22/18/33/563221833.db2.gz DWZCXQBNBQFXKD-AWEZNQCLSA-N 0 1 377.286 2.577 20 0 GFADMN Cn1ncc(Br)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000294909960 563221837 /nfs/dbraw/zinc/22/18/37/563221837.db2.gz DWZCXQBNBQFXKD-AWEZNQCLSA-N 0 1 377.286 2.577 20 0 GFADMN Cc1c(Br)cccc1C(=O)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000369727758 563223429 /nfs/dbraw/zinc/22/34/29/563223429.db2.gz QOWHHWAODFJJRF-RHSMWYFYSA-N 0 1 381.314 2.988 20 0 GFADMN O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000369982013 563230158 /nfs/dbraw/zinc/23/01/58/563230158.db2.gz FFUDZJYSZBMMFP-UONOGXRCSA-N 0 1 375.270 2.909 20 0 GFADMN C[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)[C@H](C)CN1CCO ZINC000419010071 563232723 /nfs/dbraw/zinc/23/27/23/563232723.db2.gz YFKUJNQPVDGPEU-NXEZZACHSA-N 0 1 382.224 2.754 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2nccn3c(Br)cnc23)n[nH]1 ZINC000277946756 563233630 /nfs/dbraw/zinc/23/36/30/563233630.db2.gz SUJGFHMXUWBFGC-BDAKNGLRSA-N 0 1 392.261 2.614 20 0 GFADMN O=C(NCCOc1ccc(Br)cc1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370111716 563233849 /nfs/dbraw/zinc/23/38/49/563233849.db2.gz MKPCPYJKZCTBKT-LBPRGKRZSA-N 0 1 394.273 2.535 20 0 GFADMN O=C(NCc1ccc(F)cc1Br)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370117927 563234202 /nfs/dbraw/zinc/23/42/02/563234202.db2.gz YRQSSKBYGLIXAF-LLVKDONJSA-N 0 1 382.237 2.796 20 0 GFADMN C[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295361694 563243863 /nfs/dbraw/zinc/24/38/63/563243863.db2.gz FSROLFWATZTGKO-KBPBESRZSA-N 0 1 379.551 2.740 20 0 GFADMN COc1ccc2c(c1)[C@@](O)(CNCc1c(Br)c(C)nn1C)CCC2 ZINC000370510481 563246279 /nfs/dbraw/zinc/24/62/79/563246279.db2.gz XMMAHUWGTGKCOT-SFHVURJKSA-N 0 1 394.313 2.813 20 0 GFADMN CS[C@@H](CO)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000370735596 563254087 /nfs/dbraw/zinc/25/40/87/563254087.db2.gz WGWOWKFHBACDFG-FZMZJTMJSA-N 0 1 376.975 2.842 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(Cl)c(Br)cc1F ZINC000295569476 563254600 /nfs/dbraw/zinc/25/46/00/563254600.db2.gz UYXFLRYSGQZEJV-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc(Br)c(F)c1 ZINC000370777144 563254940 /nfs/dbraw/zinc/25/49/40/563254940.db2.gz WNSLWRKSNNNPBS-CJNGLKHVSA-N 0 1 385.277 2.819 20 0 GFADMN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2ccccc2Br)C1 ZINC000295774753 563262389 /nfs/dbraw/zinc/26/23/89/563262389.db2.gz YTCCJSCIEDMISI-IYOUNJFTSA-N 0 1 389.293 2.764 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)N1CCCC[C@H]1C ZINC000420660944 563270704 /nfs/dbraw/zinc/27/07/04/563270704.db2.gz ZDDNHDYPGWCEIW-VXGBXAGGSA-N 0 1 380.432 2.968 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278855123 563273828 /nfs/dbraw/zinc/27/38/28/563273828.db2.gz FCWIOOBITODWLM-VIFPVBQESA-N 0 1 379.891 2.561 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(F)c(Cl)nc1Cl ZINC000278888078 563275555 /nfs/dbraw/zinc/27/55/55/563275555.db2.gz PYUXMIFRMGGQSC-JTQLQIEISA-N 0 1 376.259 2.853 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000420728932 563280107 /nfs/dbraw/zinc/28/01/07/563280107.db2.gz BEGAPWACYSQZEY-NSHDSACASA-N 0 1 379.295 2.611 20 0 GFADMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000296258079 563281316 /nfs/dbraw/zinc/28/13/16/563281316.db2.gz LNWLDUPOTOLUBM-GFCCVEGCSA-N 0 1 375.441 2.631 20 0 GFADMN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)n[nH]1 ZINC000420747740 563283024 /nfs/dbraw/zinc/28/30/24/563283024.db2.gz JQUDTRMLDUPXEM-UHFFFAOYSA-N 0 1 394.831 2.836 20 0 GFADMN Cc1nn(C)c(CNCCc2nc3cc(F)ccc3n2C)c1Br ZINC000279114220 563284672 /nfs/dbraw/zinc/28/46/72/563284672.db2.gz KUYBEVUODVSEPD-UHFFFAOYSA-N 0 1 380.265 2.849 20 0 GFADMN CN(Cc1ccco1)C(=O)CN1CCC(Cn2cc(Br)cn2)CC1 ZINC000371729289 563286029 /nfs/dbraw/zinc/28/60/29/563286029.db2.gz ZUCNFHZNUPTCQG-UHFFFAOYSA-N 0 1 395.301 2.609 20 0 GFADMN O=C(CN1CCC(Cn2cc(Br)cn2)CC1)NCc1ccccc1 ZINC000371728662 563286047 /nfs/dbraw/zinc/28/60/47/563286047.db2.gz TYIUDYRUUVRGMV-UHFFFAOYSA-N 0 1 391.313 2.674 20 0 GFADMN C[C@H]1OCC[C@]12CN(C(=O)c1[nH]nc3ccc(Br)cc31)C[C@@H](C)O2 ZINC000279303232 563290900 /nfs/dbraw/zinc/29/09/00/563290900.db2.gz LRJOQVBMTIYHRL-AGKHESDQSA-N 0 1 394.269 2.734 20 0 GFADMN CCn1nc(C)c(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC000296555256 563291678 /nfs/dbraw/zinc/29/16/78/563291678.db2.gz UVVLXJHESPZTIT-CQSZACIVSA-N 0 1 378.318 2.985 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCOC2(CCOCC2)CC1 ZINC000372133803 563296692 /nfs/dbraw/zinc/29/66/92/563296692.db2.gz KQOQYSFOQOMXHW-UHFFFAOYSA-N 0 1 394.269 2.737 20 0 GFADMN O=S1(=O)CC[C@@H](NC[C@H]2CCN(CC(F)(F)F)C2)c2cccc(F)c21 ZINC000372231075 563299901 /nfs/dbraw/zinc/29/99/01/563299901.db2.gz JNQMHOUISDXDDH-BXUZGUMPSA-N 0 1 380.407 2.518 20 0 GFADMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@](C)(O)CC1 ZINC000296782306 563301677 /nfs/dbraw/zinc/30/16/77/563301677.db2.gz LWLKKEKHWRHMQI-SCLBCKFNSA-N 0 1 399.329 2.699 20 0 GFADMN O=C([C@@H]1CCCc2c[nH]nc21)N(CCO)Cc1cc(Br)ccc1F ZINC000372357037 563303446 /nfs/dbraw/zinc/30/34/46/563303446.db2.gz NWCOFUJMKPIVNV-CQSZACIVSA-N 0 1 396.260 2.752 20 0 GFADMN O=C(NCCN1CCC(O)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000296867380 563305654 /nfs/dbraw/zinc/30/56/54/563305654.db2.gz IKIABNKGPOOLMT-UHFFFAOYSA-N 0 1 395.341 2.834 20 0 GFADMN O=S(=O)(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cnc(Cl)c(Cl)c1 ZINC000372460069 563306916 /nfs/dbraw/zinc/30/69/16/563306916.db2.gz MDIFCNZPIJGUOI-GFCCVEGCSA-N 0 1 384.248 2.574 20 0 GFADMN C[C@H](CO)N(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000372612898 563312380 /nfs/dbraw/zinc/31/23/80/563312380.db2.gz MLROOUBLPUJAPA-IGCXYCKISA-N 0 1 389.323 2.721 20 0 GFADMN Cc1nn(C)c(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1Br ZINC000279861233 563313146 /nfs/dbraw/zinc/31/31/46/563313146.db2.gz PZDUIHJPWFVVKU-LBPRGKRZSA-N 0 1 379.306 2.866 20 0 GFADMN Cc1nn(C)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1Br ZINC000279861233 563313148 /nfs/dbraw/zinc/31/31/48/563313148.db2.gz PZDUIHJPWFVVKU-LBPRGKRZSA-N 0 1 379.306 2.866 20 0 GFADMN O=C(CSCc1ccc(Cl)cc1Cl)NCCN1CCC(O)CC1 ZINC000297035273 563313508 /nfs/dbraw/zinc/31/35/08/563313508.db2.gz SLBBOWYSGDQSJG-UHFFFAOYSA-N 0 1 377.337 2.800 20 0 GFADMN Cc1nnc([C@H](NS(=O)(=O)c2c(Cl)ccnc2Cl)c2ccccc2)[nH]1 ZINC000372838908 563318588 /nfs/dbraw/zinc/31/85/88/563318588.db2.gz QTTOGMXHMNTNMD-GFCCVEGCSA-N 0 1 398.275 2.883 20 0 GFADMN Cc1nc([C@H](NS(=O)(=O)c2c(Cl)ccnc2Cl)c2ccccc2)n[nH]1 ZINC000372838908 563318595 /nfs/dbraw/zinc/31/85/95/563318595.db2.gz QTTOGMXHMNTNMD-GFCCVEGCSA-N 0 1 398.275 2.883 20 0 GFADMN C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[S@@]1=O ZINC000297232888 563320793 /nfs/dbraw/zinc/32/07/93/563320793.db2.gz NIHJMAPQXZNKJU-TWKFVSLJSA-N 0 1 383.583 2.513 20 0 GFADMN COc1cc(Cl)ccc1[C@@H](C)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000421832878 563322653 /nfs/dbraw/zinc/32/26/53/563322653.db2.gz IABUJRGJBTVASU-DGCLKSJQSA-N 0 1 389.926 2.896 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@H](CCO)CC1 ZINC000422077542 563330284 /nfs/dbraw/zinc/33/02/84/563330284.db2.gz RYFJXWCLRJLXMJ-LBPRGKRZSA-N 0 1 393.281 2.915 20 0 GFADMN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422417901 563339811 /nfs/dbraw/zinc/33/98/11/563339811.db2.gz YLIIERJWMFMQNB-PWSUYJOCSA-N 0 1 393.285 2.637 20 0 GFADMN CN1CCC(NC(=O)COc2ccc(Br)cc2)(C(F)(F)F)CC1 ZINC000373664107 563346016 /nfs/dbraw/zinc/34/60/16/563346016.db2.gz ABUBTWCPKGATMH-UHFFFAOYSA-N 0 1 395.219 2.971 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[C@@](C)(C(N)=O)C1 ZINC000280788959 563354637 /nfs/dbraw/zinc/35/46/37/563354637.db2.gz QVLALBFWZJTGOG-RFAUZJTJSA-N 0 1 377.794 2.883 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)NOCc1ccc(F)cc1Br ZINC000298544720 563359869 /nfs/dbraw/zinc/35/98/69/563359869.db2.gz YYWSPYBWGOSWOQ-UHFFFAOYSA-N 0 1 384.209 2.515 20 0 GFADMN CNC(=O)[C@@]1(C)CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000281197903 563369097 /nfs/dbraw/zinc/36/90/97/563369097.db2.gz SPXSJZBLYBBQAN-KRWDZBQOSA-N 0 1 377.286 2.797 20 0 GFADMN O=C(Nc1ccc2nc[nH]c2c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000299323594 563381156 /nfs/dbraw/zinc/38/11/56/563381156.db2.gz VSGRHPLCPIFXBT-UHFFFAOYSA-N 0 1 376.463 2.661 20 0 GFADMN Cn1ccnc1[C@](O)(CNCc1ccc(Br)s1)C(F)(F)F ZINC000299309459 563381550 /nfs/dbraw/zinc/38/15/50/563381550.db2.gz DQKHNHOVWABRGB-LLVKDONJSA-N 0 1 384.221 2.784 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000281943964 563390918 /nfs/dbraw/zinc/39/09/18/563390918.db2.gz LQJAYBZCHQFGHF-SECBINFHSA-N 0 1 393.688 2.609 20 0 GFADMN C[S@](=O)C1(CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC1 ZINC000281947446 563391140 /nfs/dbraw/zinc/39/11/40/563391140.db2.gz XTEAQOCYSPAHTR-MQNRADLISA-N 0 1 383.583 2.561 20 0 GFADMN CC(C)(C)OC(=O)Nc1ncc(CNC(C)(C)CCS(C)(=O)=O)s1 ZINC000282094324 563397703 /nfs/dbraw/zinc/39/77/03/563397703.db2.gz SBWKYUXNQUAYCH-UHFFFAOYSA-N 0 1 377.532 2.793 20 0 GFADMN Cn1ncc(NC[C@H](c2ccccc2)N2CCCC2)c(Br)c1=O ZINC000301276291 563399377 /nfs/dbraw/zinc/39/93/77/563399377.db2.gz ZHJSFHLYHKNHQJ-OAHLLOKOSA-N 0 1 377.286 2.792 20 0 GFADMN CN(Cc1nnc[nH]1)c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000301368482 563401407 /nfs/dbraw/zinc/40/14/07/563401407.db2.gz RWGJZXRRTYBTQS-UHFFFAOYSA-N 0 1 375.223 2.853 20 0 GFADMN CNC(=O)[C@H]1CCCN(c2ccnc3cc(OC)c(Br)cc32)C1 ZINC000425225530 563412608 /nfs/dbraw/zinc/41/26/08/563412608.db2.gz LIBSFJDJYQIEIM-NSHDSACASA-N 0 1 378.270 2.968 20 0 GFADMN O=C(CCN1CCO[C@]2(CCCOC2)C1)Nc1ccc(Br)cc1 ZINC000375630273 563412652 /nfs/dbraw/zinc/41/26/52/563412652.db2.gz LHTKVVPUSYPHBK-QGZVFWFLSA-N 0 1 383.286 2.659 20 0 GFADMN O=C(NCc1ccsc1Br)N1CCN(C2CCOCC2)CC1 ZINC000282735295 563422667 /nfs/dbraw/zinc/42/26/67/563422667.db2.gz LLFLRBPAOGZSLW-UHFFFAOYSA-N 0 1 388.331 2.517 20 0 GFADMN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000282745114 563423399 /nfs/dbraw/zinc/42/33/99/563423399.db2.gz NONKNCYWNPWTIW-VIFPVBQESA-N 0 1 394.147 2.549 20 0 GFADMN Cc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)nc3Cl)C2)n[nH]1 ZINC000282819383 563425632 /nfs/dbraw/zinc/42/56/32/563425632.db2.gz UAJHWAAZZOXPTK-JTQLQIEISA-N 0 1 375.281 2.988 20 0 GFADMN CCN1CCN([C@@H]2CCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376216340 563433724 /nfs/dbraw/zinc/43/37/24/563433724.db2.gz ABBLEEIBQATODO-SNVBAGLBSA-N 0 1 384.764 2.581 20 0 GFADMN C[C@@H]1CN(c2ncc(I)cn2)CCN1Cc1ccccc1 ZINC000307450421 563434074 /nfs/dbraw/zinc/43/40/74/563434074.db2.gz OIWUXKUXCJTJJT-CYBMUJFWSA-N 0 1 394.260 2.792 20 0 GFADMN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCc1nc[nH]n1 ZINC000316088822 563441060 /nfs/dbraw/zinc/44/10/60/563441060.db2.gz HIKKDWBYAORWJP-VIFPVBQESA-N 0 1 387.665 2.737 20 0 GFADMN COC(=O)[C@](C)(CNCc1c(Br)cnn1C)c1ccc(F)cc1 ZINC000425999523 563441590 /nfs/dbraw/zinc/44/15/90/563441590.db2.gz PJFXCJWTMBFHKO-MRXNPFEDSA-N 0 1 384.249 2.542 20 0 GFADMN CCOCCCNC(=O)[C@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000283335851 563442044 /nfs/dbraw/zinc/44/20/44/563442044.db2.gz AQMXEUVZHKLZKW-SWLSCSKDSA-N 0 1 385.302 2.794 20 0 GFADMN CCOc1c(Br)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1OC ZINC000319194669 563444733 /nfs/dbraw/zinc/44/47/33/563444733.db2.gz COBAZEPQXCDGGL-ZWNOBZJWSA-N 0 1 392.315 2.522 20 0 GFADMN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(F)cc1C ZINC000327757027 563459568 /nfs/dbraw/zinc/45/95/68/563459568.db2.gz OCYPKBTZPNDMFY-UHFFFAOYSA-N 0 1 386.470 2.542 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@@H]1N(C)C ZINC000328672129 563462612 /nfs/dbraw/zinc/46/26/12/563462612.db2.gz NWZIEOLNYYHNDG-JKSUJKDBSA-N 0 1 397.591 2.785 20 0 GFADMN Cn1ccnc1Sc1ncc(C(=O)N2CCN3CCC2CC3)cc1Cl ZINC000329348151 563479069 /nfs/dbraw/zinc/47/90/69/563479069.db2.gz SCFMQDRBEFDVBN-UHFFFAOYSA-N 0 1 377.901 2.540 20 0 GFADMN OC[C@@H]1C[C@@H](O)CN1[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000377614621 563480698 /nfs/dbraw/zinc/48/06/98/563480698.db2.gz JFSCYUJICQYQRS-KSZLIROESA-N 0 1 377.282 2.555 20 0 GFADMN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1nc2ccccn2c1Br ZINC000377704129 563483199 /nfs/dbraw/zinc/48/31/99/563483199.db2.gz VYHBZOFWXNDRBN-XUWXXGDYSA-N 0 1 394.313 2.849 20 0 GFADMN Cc1nc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n[nH]1 ZINC000428391467 563490068 /nfs/dbraw/zinc/49/00/68/563490068.db2.gz GOPMZLQUEMQDSG-UHFFFAOYSA-N 0 1 378.274 2.726 20 0 GFADMN CCc1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)n[nH]1 ZINC000428404740 563490695 /nfs/dbraw/zinc/49/06/95/563490695.db2.gz VWJLGTATTTZECB-ZETCQYMHSA-N 0 1 393.694 2.823 20 0 GFADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428414935 563491471 /nfs/dbraw/zinc/49/14/71/563491471.db2.gz SGCNJGWTHTXICZ-YMTOWFKASA-N 0 1 393.734 2.864 20 0 GFADMN COc1cc(C)cc2c1OCC[C@H]2NC(=O)CSc1n[nH]c(=S)s1 ZINC000377955546 563491893 /nfs/dbraw/zinc/49/18/93/563491893.db2.gz JVXFBSHTDVCXRW-SNVBAGLBSA-N 0 1 383.520 2.876 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1Cl ZINC000378060845 563494781 /nfs/dbraw/zinc/49/47/81/563494781.db2.gz SDZACXNYPYKMDG-VIFPVBQESA-N 0 1 391.280 2.688 20 0 GFADMN NC1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000378206545 563498341 /nfs/dbraw/zinc/49/83/41/563498341.db2.gz DAFCYJLLURLZFP-UHFFFAOYSA-N 0 1 378.259 2.544 20 0 GFADMN Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)n[nH]1 ZINC000378257136 563500413 /nfs/dbraw/zinc/50/04/13/563500413.db2.gz RCDDGOCIFIJCBI-VIFPVBQESA-N 0 1 391.316 2.853 20 0 GFADMN C[C@@H](N[C@H](CO)c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1 ZINC000428816150 563502882 /nfs/dbraw/zinc/50/28/82/563502882.db2.gz HPZKUGUOSAEPDS-SJKOYZFVSA-N 0 1 395.272 2.916 20 0 GFADMN CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000378467715 563507456 /nfs/dbraw/zinc/50/74/56/563507456.db2.gz VUGPRQCGGAYGQH-UHFFFAOYSA-N 0 1 397.313 2.729 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2Cl)n[nH]1 ZINC000285223191 563509687 /nfs/dbraw/zinc/50/96/87/563509687.db2.gz ARQYNJYJNAWGHS-ZCFIWIBFSA-N 0 1 379.667 2.569 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000330592987 563512882 /nfs/dbraw/zinc/51/28/82/563512882.db2.gz PODIBBYPAGRSDW-UONOGXRCSA-N 0 1 379.551 2.738 20 0 GFADMN O=S(=O)(N[C@@]1(C(F)(F)F)CCOC1)c1ccc(Br)c(F)c1 ZINC000330606035 563513111 /nfs/dbraw/zinc/51/31/11/563513111.db2.gz ZRPMBHUKEVEJGA-JTQLQIEISA-N 0 1 392.168 2.588 20 0 GFADMN Brc1ccc(CN2CCN([C@H]3CCOC3)CC2)c2ncccc12 ZINC000378648783 563513657 /nfs/dbraw/zinc/51/36/57/563513657.db2.gz JGEUJDRIFBHUTI-HNNXBMFYSA-N 0 1 376.298 2.904 20 0 GFADMN O=C(CN1CCc2n[nH]nc2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000429292196 563514208 /nfs/dbraw/zinc/51/42/08/563514208.db2.gz HHTCJBGFUZYCPM-INIZCTEOSA-N 0 1 380.279 2.833 20 0 GFADMN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1cncc(Br)c1 ZINC000386814804 563518964 /nfs/dbraw/zinc/51/89/64/563518964.db2.gz QQFBFKLNIZHXDS-UHFFFAOYSA-N 0 1 379.239 2.831 20 0 GFADMN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cncc(Br)c1 ZINC000387007714 563519801 /nfs/dbraw/zinc/51/98/01/563519801.db2.gz ISPHYUQDDRZYAU-UHFFFAOYSA-N 0 1 379.239 2.831 20 0 GFADMN O[C@@H](COc1cccc(Br)c1)CN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330849459 563524035 /nfs/dbraw/zinc/52/40/35/563524035.db2.gz DJSFHPIWYGWHOJ-OCCSQVGLSA-N 0 1 398.219 2.578 20 0 GFADMN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285575995 563527251 /nfs/dbraw/zinc/52/72/51/563527251.db2.gz HYSGQFKOPQIIIG-WMLDXEAASA-N 0 1 386.945 2.693 20 0 GFADMN C[C@@H](CNC(=O)c1cc(F)c(Br)c(Cl)c1)N1CCN(C)CC1 ZINC000285605665 563528822 /nfs/dbraw/zinc/52/88/22/563528822.db2.gz PVEKJXMYALSWAS-JTQLQIEISA-N 0 1 392.700 2.607 20 0 GFADMN Cc1nc(NC(=O)[C@@H]2CNCCO2)sc1Cc1cccc(Br)c1 ZINC000429979420 563531051 /nfs/dbraw/zinc/53/10/51/563531051.db2.gz IJRIKYIDMJNCKA-ZDUSSCGKSA-N 0 1 396.310 2.732 20 0 GFADMN C[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197767 563534516 /nfs/dbraw/zinc/53/45/16/563534516.db2.gz MVFDPBDMGWEKKT-CMPLNLGQSA-N 0 1 379.295 2.663 20 0 GFADMN CS(=O)(=O)c1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1Cl ZINC000430150822 563535973 /nfs/dbraw/zinc/53/59/73/563535973.db2.gz SSLCZKNFHFRKTG-UHFFFAOYSA-N 0 1 381.816 2.689 20 0 GFADMN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000331180501 563538648 /nfs/dbraw/zinc/53/86/48/563538648.db2.gz QYXDZXDCLZOHDB-XJKSGUPXSA-N 0 1 382.302 2.680 20 0 GFADMN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000331181603 563539166 /nfs/dbraw/zinc/53/91/66/563539166.db2.gz MZOYYKYPSZUWSJ-KBPBESRZSA-N 0 1 384.318 2.985 20 0 GFADMN COc1cc(Br)ccc1CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000430273908 563540196 /nfs/dbraw/zinc/54/01/96/563540196.db2.gz PGZHLIWLBXJKOE-OAHLLOKOSA-N 0 1 384.318 2.939 20 0 GFADMN O=C(NCCCc1nc[nH]n1)Nc1cc(Br)ccc1N1CCCC1 ZINC000285905685 563541773 /nfs/dbraw/zinc/54/17/73/563541773.db2.gz KBQOIEHZEYUPCK-UHFFFAOYSA-N 0 1 393.289 2.922 20 0 GFADMN COc1ccc(Br)c(S(=O)(=O)N[C@H]2CCCN(C(C)C)C2)c1 ZINC000331236668 563542137 /nfs/dbraw/zinc/54/21/37/563542137.db2.gz UKUFOMRFBKIYFD-LBPRGKRZSA-N 0 1 391.331 2.609 20 0 GFADMN O=C([C@@H]1CCc2[nH]nnc2C1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000408046077 563542778 /nfs/dbraw/zinc/54/27/78/563542778.db2.gz JWEDXLQJEVBMQB-SECBINFHSA-N 0 1 395.688 2.910 20 0 GFADMN O=C([C@@H]1CCc2nn[nH]c2C1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000408046077 563542779 /nfs/dbraw/zinc/54/27/79/563542779.db2.gz JWEDXLQJEVBMQB-SECBINFHSA-N 0 1 395.688 2.910 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2ccc(Br)o2)C1 ZINC000285979955 563544349 /nfs/dbraw/zinc/54/43/49/563544349.db2.gz XRJMYUQYEHKJOL-ZJUUUORDSA-N 0 1 381.230 2.640 20 0 GFADMN C[C@H]1CCCCN1S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000408234064 563548168 /nfs/dbraw/zinc/54/81/68/563548168.db2.gz BEAGSEURNUNSMI-NSHDSACASA-N 0 1 380.436 2.727 20 0 GFADMN CN1CCC[C@@H]2CN(c3c(Br)cccc3S(C)(=O)=O)CC[C@H]21 ZINC000286262593 563554396 /nfs/dbraw/zinc/55/43/96/563554396.db2.gz PYLDEGUPDKPZHM-TZMCWYRMSA-N 0 1 387.343 2.773 20 0 GFADMN CC[C@]1(C)COCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000408439651 563555530 /nfs/dbraw/zinc/55/55/30/563555530.db2.gz TYRVSVCNFYXGCR-QGZVFWFLSA-N 0 1 379.254 2.932 20 0 GFADMN 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Cc1ocnc1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000537111885 565052566 /nfs/dbraw/zinc/05/25/66/565052566.db2.gz VOAOWVKIMLQUEW-UHFFFAOYSA-N 0 1 391.229 2.530 20 0 GFADMN Cc1ocnc1CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000537111885 565052567 /nfs/dbraw/zinc/05/25/67/565052567.db2.gz VOAOWVKIMLQUEW-UHFFFAOYSA-N 0 1 391.229 2.530 20 0 GFADMN CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2nc(C)c(Br)s2)C1(C)C ZINC000537842787 565064184 /nfs/dbraw/zinc/06/41/84/565064184.db2.gz VVBJUFAYBGFQQF-PELKAZGASA-N 0 1 383.333 2.696 20 0 GFADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000684685525 565079280 /nfs/dbraw/zinc/07/92/80/565079280.db2.gz HQAOEDTWGSTHSS-UHFFFAOYSA-N 0 1 382.825 2.735 20 0 GFADMN O=C(c1ncsc1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000584479327 565082629 /nfs/dbraw/zinc/08/26/29/565082629.db2.gz SCFUKTOPAZKAAY-SECBINFHSA-N 0 1 382.287 2.921 20 0 GFADMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc(Br)cc(N2CCCC2)c1 ZINC000613851775 565083181 /nfs/dbraw/zinc/08/31/81/565083181.db2.gz 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ZINC000631059102 565936734 /nfs/dbraw/zinc/93/67/34/565936734.db2.gz GZVFTFUPMZOREW-UHFFFAOYSA-N 0 1 380.290 2.531 20 0 GFADMN C[C@H](CN1CCN(c2ccccn2)CC1)NCc1ccncc1Br ZINC000631075031 565938188 /nfs/dbraw/zinc/93/81/88/565938188.db2.gz NIYRFJWOSTXMNO-OAHLLOKOSA-N 0 1 390.329 2.539 20 0 GFADMN Brc1ccccc1C1(CNCc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631078107 565938608 /nfs/dbraw/zinc/93/86/08/565938608.db2.gz QQQFFNRDVSDQCW-AWEZNQCLSA-N 0 1 391.313 2.899 20 0 GFADMN COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(F)c1 ZINC000676493982 565941644 /nfs/dbraw/zinc/94/16/44/565941644.db2.gz CTMSDVMJAANEHZ-ZDUSSCGKSA-N 0 1 376.469 2.620 20 0 GFADMN COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(F)c1 ZINC000676493982 565941647 /nfs/dbraw/zinc/94/16/47/565941647.db2.gz CTMSDVMJAANEHZ-ZDUSSCGKSA-N 0 1 376.469 2.620 20 0 GFADMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024956 565944093 /nfs/dbraw/zinc/94/40/93/565944093.db2.gz GVTNHUNCODUBBK-GXTWGEPZSA-N 0 1 384.307 2.808 20 0 GFADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000605024958 565944190 /nfs/dbraw/zinc/94/41/90/565944190.db2.gz GVTNHUNCODUBBK-OCCSQVGLSA-N 0 1 384.307 2.808 20 0 GFADMN COCCN1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)C(C)(C)C1 ZINC000652926693 565947699 /nfs/dbraw/zinc/94/76/99/565947699.db2.gz JRIAIHXNTSHTOV-UHFFFAOYSA-N 0 1 395.301 2.508 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000653226957 565959268 /nfs/dbraw/zinc/95/92/68/565959268.db2.gz LLASDZFHXSDTIN-XWTMOSNGSA-N 0 1 393.325 2.610 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)Nc1ccc(Br)cc1F ZINC000631488700 565959850 /nfs/dbraw/zinc/95/98/50/565959850.db2.gz VQQIUWYIHFYGRH-UHFFFAOYSA-N 0 1 398.236 2.922 20 0 GFADMN Cc1cc(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000606516614 565967411 /nfs/dbraw/zinc/96/74/11/565967411.db2.gz QWAGDYPEPFIESP-HNNXBMFYSA-N 0 1 379.258 2.764 20 0 GFADMN C[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1ncc(Br)cc1F ZINC000631693612 565968823 /nfs/dbraw/zinc/96/88/23/565968823.db2.gz LRQIJCSRSMBTLD-VIFPVBQESA-N 0 1 384.253 2.846 20 0 GFADMN CC[C@@H](NCc1nnnn1-c1ccccc1Br)[C@@H]1CCCCO1 ZINC000653878264 565986599 /nfs/dbraw/zinc/98/65/99/565986599.db2.gz YFNCJTDPPHGTCK-HIFRSBDPSA-N 0 1 380.290 2.862 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCN1C ZINC000607665223 565987963 /nfs/dbraw/zinc/98/79/63/565987963.db2.gz STEGRBNUUPLVOM-DZGCQCFKSA-N 0 1 384.929 2.587 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)Nc1ccc(F)cc1Br ZINC000653944402 565988817 /nfs/dbraw/zinc/98/88/17/565988817.db2.gz LYJLLIVBKIEBEN-NSHDSACASA-N 0 1 384.209 2.880 20 0 GFADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000632084472 565996641 /nfs/dbraw/zinc/99/66/41/565996641.db2.gz LOBPUSIUECFBKW-UHFFFAOYSA-N 0 1 397.547 2.816 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)Nc1nc(CC(F)(F)F)cs1 ZINC000654104366 565997257 /nfs/dbraw/zinc/99/72/57/565997257.db2.gz OBGRAFMWZKUAQY-MRVPVSSYSA-N 0 1 376.364 2.539 20 0 GFADMN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N[C@@H](C)c1nnc[nH]1 ZINC000632165866 566005747 /nfs/dbraw/zinc/00/57/47/566005747.db2.gz ULEFZXWUZJQOLJ-ZETCQYMHSA-N 0 1 379.667 2.569 20 0 GFADMN COC(=O)c1ccc(F)c(NS(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000608852229 566025391 /nfs/dbraw/zinc/02/53/91/566025391.db2.gz YQICQKLIVWFVBC-UHFFFAOYSA-N 0 1 375.324 2.700 20 0 GFADMN Cc1n[nH]c(C)c1[C@H](C)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000632447341 566033241 /nfs/dbraw/zinc/03/32/41/566033241.db2.gz KVDQUBBNYUWJBU-ZETCQYMHSA-N 0 1 379.305 2.593 20 0 GFADMN C[C@H](NS(=O)(=O)c1cnccc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000632480572 566038282 /nfs/dbraw/zinc/03/82/82/566038282.db2.gz UGJPBQUXGCWAGW-YFKPBYRVSA-N 0 1 390.265 2.542 20 0 GFADMN O=C(CCc1nn[nH]n1)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000632592029 566047671 /nfs/dbraw/zinc/04/76/71/566047671.db2.gz OMQUMRZIZZZRFB-ZDUSSCGKSA-N 0 1 382.237 2.692 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000655237704 566048612 /nfs/dbraw/zinc/04/86/12/566048612.db2.gz NATDVJVCSYSKND-VIFPVBQESA-N 0 1 379.829 2.956 20 0 GFADMN CCC(C)(C)N1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000655274168 566049535 /nfs/dbraw/zinc/04/95/35/566049535.db2.gz YKMCSDNTOWSRIC-UHFFFAOYSA-N 0 1 387.933 2.658 20 0 GFADMN CN(CC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCSC1 ZINC000655319717 566051643 /nfs/dbraw/zinc/05/16/43/566051643.db2.gz USELSXMOVFUVBC-GFCCVEGCSA-N 0 1 385.327 2.607 20 0 GFADMN CN(CC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCSC1 ZINC000655319718 566051765 /nfs/dbraw/zinc/05/17/65/566051765.db2.gz USELSXMOVFUVBC-LBPRGKRZSA-N 0 1 385.327 2.607 20 0 GFADMN O=C(N[C@@H](CCO)c1ccccc1Br)c1[nH]nc2c1CCCC2 ZINC000679826754 566053879 /nfs/dbraw/zinc/05/38/79/566053879.db2.gz PRMOTKSDJGGTQA-AWEZNQCLSA-N 0 1 378.270 2.905 20 0 GFADMN O=S(=O)(NC[C@@H](n1cncn1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000632645910 566054587 /nfs/dbraw/zinc/05/45/87/566054587.db2.gz XWNAYFBZQIZIMA-ZCFIWIBFSA-N 0 1 395.215 2.728 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(Br)cn2)n[nH]1 ZINC000632754152 566064826 /nfs/dbraw/zinc/06/48/26/566064826.db2.gz PTKCRNQWXUGRMS-VHSXEESVSA-N 0 1 382.262 2.732 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(Br)cn2)n[nH]1 ZINC000632754150 566064868 /nfs/dbraw/zinc/06/48/68/566064868.db2.gz PTKCRNQWXUGRMS-NXEZZACHSA-N 0 1 382.262 2.732 20 0 GFADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc2ccccc2n1C ZINC000655532515 566065473 /nfs/dbraw/zinc/06/54/73/566065473.db2.gz CFSLUZFLHJLTGV-UHFFFAOYSA-N 0 1 377.535 2.992 20 0 GFADMN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655630173 566074239 /nfs/dbraw/zinc/07/42/39/566074239.db2.gz FIMDQSLBESLQRB-GFCCVEGCSA-N 0 1 391.280 2.583 20 0 GFADMN CO[C@](C)(CO)CNCc1cc(Br)ccc1OCc1ccccn1 ZINC000655808879 566090538 /nfs/dbraw/zinc/09/05/38/566090538.db2.gz KSUOXHFLFHAHHI-SFHVURJKSA-N 0 1 395.297 2.910 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1scnc1C1CC1 ZINC000681126417 566093871 /nfs/dbraw/zinc/09/38/71/566093871.db2.gz UQNDVUJRBCRHSY-GFCCVEGCSA-N 0 1 378.820 2.846 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1OC)c1ccccc1F ZINC000610702585 566094060 /nfs/dbraw/zinc/09/40/60/566094060.db2.gz UOSDWIRXPJOLQK-OAHLLOKOSA-N 0 1 387.816 2.680 20 0 GFADMN O=C(Nc1cc(I)ccc1O)[C@@H]1CCCc2[nH]ncc21 ZINC000610714060 566094873 /nfs/dbraw/zinc/09/48/73/566094873.db2.gz FGDHPJDRLSXBKO-SECBINFHSA-N 0 1 383.189 2.779 20 0 GFADMN O=C(c1cc(Cl)cc(Cl)c1F)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000633356625 566098425 /nfs/dbraw/zinc/09/84/25/566098425.db2.gz CMCZVCCBXKELGY-GFCCVEGCSA-N 0 1 388.270 2.559 20 0 GFADMN O=S1(=O)CC[C@@H](N[C@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389593 566105177 /nfs/dbraw/zinc/10/51/77/566105177.db2.gz QIILBYRWUFWPIX-GOEBONIOSA-N 0 1 399.354 2.742 20 0 GFADMN NC(=O)[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(Br)cc1F ZINC000656130396 566105817 /nfs/dbraw/zinc/10/58/17/566105817.db2.gz VKHTULFBUGVJPJ-BZUAXINKSA-N 0 1 384.293 2.721 20 0 GFADMN Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(Br)cs1 ZINC000633530023 566108110 /nfs/dbraw/zinc/10/81/10/566108110.db2.gz BOPDLANSNHEWGH-CQSZACIVSA-N 0 1 392.282 2.755 20 0 GFADMN O=C(CCc1c[nH]nn1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000633672632 566113844 /nfs/dbraw/zinc/11/38/44/566113844.db2.gz QEFLTYMPFCDLPO-CQSZACIVSA-N 0 1 381.299 2.893 20 0 GFADMN O=C(CCc1cnn[nH]1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000633672632 566113850 /nfs/dbraw/zinc/11/38/50/566113850.db2.gz QEFLTYMPFCDLPO-CQSZACIVSA-N 0 1 381.299 2.893 20 0 GFADMN Cc1nnc(SCCC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)[nH]1 ZINC000633729074 566116939 /nfs/dbraw/zinc/11/69/39/566116939.db2.gz FRRZHZJMQZAABO-UHFFFAOYSA-N 0 1 388.347 2.740 20 0 GFADMN CCN1CCN(C(=O)Nc2cccc(F)c2I)C[C@@H]1C ZINC000611162734 566118597 /nfs/dbraw/zinc/11/85/97/566118597.db2.gz BOFJYCUZZCCIOY-JTQLQIEISA-N 0 1 391.228 2.988 20 0 GFADMN COC(=O)c1csc(NS(=O)(=O)CCOc2ccc(OC)cc2)c1C ZINC000611444168 566130043 /nfs/dbraw/zinc/13/00/43/566130043.db2.gz VBMGVFMHCBEQMA-UHFFFAOYSA-N 0 1 385.463 2.672 20 0 GFADMN C[C@@H](C(=O)NCc1n[nH]c(C2CCOCC2)n1)c1ccc(Br)cc1 ZINC000633990928 566136696 /nfs/dbraw/zinc/13/66/96/566136696.db2.gz WVRAYIQIKOWCQY-LLVKDONJSA-N 0 1 393.285 2.881 20 0 GFADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000611661629 566139724 /nfs/dbraw/zinc/13/97/24/566139724.db2.gz RMDGPPIKYZIMLA-UXLLHSPISA-N 0 1 387.307 2.739 20 0 GFADMN CCN1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)C[C@@H]1C ZINC000682052651 566142203 /nfs/dbraw/zinc/14/22/03/566142203.db2.gz RLTTUTQFAFMVPH-LBPRGKRZSA-N 0 1 393.289 2.588 20 0 GFADMN O=C(NCc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000611824053 566142970 /nfs/dbraw/zinc/14/29/70/566142970.db2.gz YQSJLJQVMWROMX-CQSZACIVSA-N 0 1 384.307 2.743 20 0 GFADMN O[C@H](CNCc1cccc2c1OCO2)COc1cc(F)cc(Br)c1 ZINC000682187661 566146252 /nfs/dbraw/zinc/14/62/52/566146252.db2.gz ZCHRTQVNKANPAZ-CQSZACIVSA-N 0 1 398.228 2.846 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1ccc(F)cc1OC(C)(C)C)[C@H]1CCOC1 ZINC000656625809 566148832 /nfs/dbraw/zinc/14/88/32/566148832.db2.gz FAWKOFINFKBHAP-LRDDRELGSA-N 0 1 375.462 2.796 20 0 GFADMN COC(=O)[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000612091846 566151388 /nfs/dbraw/zinc/15/13/88/566151388.db2.gz LHIGBFPIMUALNP-ABAIWWIYSA-N 0 1 391.320 2.761 20 0 GFADMN CCc1cc(Br)c(C)nc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000656738486 566162479 /nfs/dbraw/zinc/16/24/79/566162479.db2.gz WQLSTFDBWQWVKM-ZDUSSCGKSA-N 0 1 377.304 2.882 20 0 GFADMN C[C@](O)(C[C@H](O)CN[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000634709911 566170776 /nfs/dbraw/zinc/17/07/76/566170776.db2.gz PYTNXXQQLLNPOW-OWQGQXMQSA-N 0 1 387.307 2.600 20 0 GFADMN CCn1c2ccc(Br)cc2nc1CNC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634712329 566172096 /nfs/dbraw/zinc/17/20/96/566172096.db2.gz CSENDLFOWDFGKQ-RDTXWAMCSA-N 0 1 396.329 2.820 20 0 GFADMN O=C(Cc1ccc(Br)c(Br)c1)NCCN1CCC1 ZINC000612841518 566176594 /nfs/dbraw/zinc/17/65/94/566176594.db2.gz BSICWZOLXZOODS-UHFFFAOYSA-N 0 1 376.092 2.576 20 0 GFADMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656896690 566177358 /nfs/dbraw/zinc/17/73/58/566177358.db2.gz JXMBANQLBMJXKS-UHFFFAOYSA-N 0 1 385.892 2.768 20 0 GFADMN CN(C)[C@H](CNC(=O)NCCn1ccc(C(F)(F)F)n1)c1ccsc1 ZINC000634814573 566180495 /nfs/dbraw/zinc/18/04/95/566180495.db2.gz BNSMXBBJMNKWJH-GFCCVEGCSA-N 0 1 375.420 2.566 20 0 GFADMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000612985927 566181369 /nfs/dbraw/zinc/18/13/69/566181369.db2.gz GJNCTVNJWCLUFS-BXKDBHETSA-N 0 1 381.249 2.874 20 0 GFADMN Cc1csc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1Br ZINC000683112368 566183836 /nfs/dbraw/zinc/18/38/36/566183836.db2.gz FVZUGHYIDTYHRW-LLVKDONJSA-N 0 1 378.255 2.852 20 0 GFADMN O=S(=O)(NCc1cccc(COCC(F)(F)F)c1)c1ccccc1O ZINC000656942354 566188819 /nfs/dbraw/zinc/18/88/19/566188819.db2.gz UTQWSXQHDKYDLP-UHFFFAOYSA-N 0 1 375.368 2.950 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000635020210 566189315 /nfs/dbraw/zinc/18/93/15/566189315.db2.gz IWRVENCSGNJEKY-GTNSWQLSSA-N 0 1 389.279 2.594 20 0 GFADMN COc1cccc(Cl)c1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C 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O=C([O-])[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000405287219 600291428 /nfs/dbraw/zinc/29/14/28/600291428.db2.gz GWJNHTIXOFMGJN-VIFPVBQESA-N 0 1 382.214 2.779 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1cc(C3CC3)nn1-c1ccccc1)CC2 ZINC000739277846 600306470 /nfs/dbraw/zinc/30/64/70/600306470.db2.gz JDNSICAEMFDDLD-QGZVFWFLSA-N 0 1 394.475 2.875 20 0 GFADMN Cc1ccc2nc(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)n2c1 ZINC000738675335 600328467 /nfs/dbraw/zinc/32/84/67/600328467.db2.gz KLSXQAPKTMZBMX-UHFFFAOYSA-N 0 1 387.386 2.758 20 0 GFADMN C[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000736209351 600362472 /nfs/dbraw/zinc/36/24/72/600362472.db2.gz SNBPTQQVKZQKRC-BEFAXECRSA-N 0 1 384.451 2.632 20 0 GFADMN C[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000736209351 600362477 /nfs/dbraw/zinc/36/24/77/600362477.db2.gz SNBPTQQVKZQKRC-BEFAXECRSA-N 0 1 384.451 2.632 20 0 GFADMN C[NH+](C)[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737362346 600364570 /nfs/dbraw/zinc/36/45/70/600364570.db2.gz UIZWAWNJSXCDLJ-KRWDZBQOSA-N 0 1 376.840 2.836 20 0 GFADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000736573864 600375089 /nfs/dbraw/zinc/37/50/89/600375089.db2.gz XSZACWIXHWQMKT-LBPRGKRZSA-N 0 1 375.450 2.591 20 0 GFADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000740189468 600393637 /nfs/dbraw/zinc/39/36/37/600393637.db2.gz JXINNLJOEPTRIP-LJQANCHMSA-N 0 1 393.443 2.906 20 0 GFADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000740189468 600393640 /nfs/dbraw/zinc/39/36/40/600393640.db2.gz JXINNLJOEPTRIP-LJQANCHMSA-N 0 1 393.443 2.906 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(OCC(F)(F)F)c1 ZINC000740150515 600394180 /nfs/dbraw/zinc/39/41/80/600394180.db2.gz RFCNUBFNLRFPLW-GFCCVEGCSA-N 0 1 387.358 2.638 20 0 GFADMN CCc1ccc(C[NH+]2CCN(Cn3nc(C(=O)[O-])c(Cl)c3C)CC2)s1 ZINC000737264667 600427592 /nfs/dbraw/zinc/42/75/92/600427592.db2.gz HYDUCIHZNJZFPA-UHFFFAOYSA-N 0 1 382.917 2.942 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736994638 600468767 /nfs/dbraw/zinc/46/87/67/600468767.db2.gz GZMFUSBCEDHFFQ-AWEZNQCLSA-N 0 1 395.887 2.748 20 0 GFADMN O=C([O-])CC[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@H]1CCCO1 ZINC000568757216 600510884 /nfs/dbraw/zinc/51/08/84/600510884.db2.gz DAXIEPAMGIQVLH-QGZVFWFLSA-N 0 1 387.455 2.956 20 0 GFADMN O=C([O-])CC[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@H]1CCCO1 ZINC000568757216 600510885 /nfs/dbraw/zinc/51/08/85/600510885.db2.gz DAXIEPAMGIQVLH-QGZVFWFLSA-N 0 1 387.455 2.956 20 0 GFADMN C[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736214449 600527609 /nfs/dbraw/zinc/52/76/09/600527609.db2.gz HBJFBXTVBOPEJU-MGPUTAFESA-N 0 1 379.460 2.800 20 0 GFADMN O=C([O-])C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000739628603 600562046 /nfs/dbraw/zinc/56/20/46/600562046.db2.gz 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O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000833325518 600708422 /nfs/dbraw/zinc/70/84/22/600708422.db2.gz SFSRHGGMMQHFGV-FQEVSTJZSA-N 0 1 380.444 2.518 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736812650 600720273 /nfs/dbraw/zinc/72/02/73/600720273.db2.gz CFXGXVQNNUQCID-QGZVFWFLSA-N 0 1 381.476 2.920 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1ccco1 ZINC000285088770 600726307 /nfs/dbraw/zinc/72/63/07/600726307.db2.gz NUUNDKOFLVSMFA-INIZCTEOSA-N 0 1 380.466 2.648 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000738525318 600737358 /nfs/dbraw/zinc/73/73/58/600737358.db2.gz JXDRZCDOZKIBSJ-KBXIAJHMSA-N 0 1 376.453 2.825 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)CC[N@H+]1C ZINC000828177867 600739619 /nfs/dbraw/zinc/73/96/19/600739619.db2.gz VGZGNUQYKVHWRA-KCPJHIHWSA-N 0 1 398.301 2.747 20 0 GFADMN 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OBIDUXDZZLCEMZ-LBPRGKRZSA-N 0 1 377.466 2.917 20 0 GFADMN Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNC(=O)[O-])C2)ccc1Br ZINC000740084288 601945115 /nfs/dbraw/zinc/94/51/15/601945115.db2.gz SJOQWKKPOIELSK-RYUDHWBXSA-N 0 1 384.274 2.674 20 0 GFADMN COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000739953765 601963314 /nfs/dbraw/zinc/96/33/14/601963314.db2.gz VLVZHTUOBRUEBF-DNVCBOLYSA-N 0 1 383.448 2.965 20 0 GFADMN COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000739953765 601963316 /nfs/dbraw/zinc/96/33/16/601963316.db2.gz VLVZHTUOBRUEBF-DNVCBOLYSA-N 0 1 383.448 2.965 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740416028 602018215 /nfs/dbraw/zinc/01/82/15/602018215.db2.gz ZTJCNZCLKLALGR-CVEARBPZSA-N 0 1 394.541 2.649 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3ccc(OC)c(-c4nn[nH]n4)c3)n2)cc1 ZINC000826182023 607542175 /nfs/dbraw/zinc/54/21/75/607542175.db2.gz XDBFSVLVBQWFGE-UHFFFAOYSA-N 0 1 395.448 2.961 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739103682 602080397 /nfs/dbraw/zinc/08/03/97/602080397.db2.gz KHUGMEDNEKEILH-QFBILLFUSA-N 0 1 388.512 2.860 20 0 GFADMN C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738974137 602097477 /nfs/dbraw/zinc/09/74/77/602097477.db2.gz HMKGBFHCYAISST-QXAKKESOSA-N 0 1 388.512 2.729 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1Cl ZINC000833153925 602104446 /nfs/dbraw/zinc/10/44/46/602104446.db2.gz SBHSBXGRNUNYFC-HOTGVXAUSA-N 0 1 381.860 2.803 20 0 GFADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000826118570 602105809 /nfs/dbraw/zinc/10/58/09/602105809.db2.gz NOIJSQBZRWDHJC-ROUUACIJSA-N 0 1 389.496 2.814 20 0 GFADMN CCO[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000829913520 602169849 /nfs/dbraw/zinc/16/98/49/602169849.db2.gz ZVFTZPKTLCJGLI-GHTZIAJQSA-N 0 1 376.497 2.673 20 0 GFADMN Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740183751 602182524 /nfs/dbraw/zinc/18/25/24/602182524.db2.gz KAUXAJWVLXGWGJ-MJGOQNOKSA-N 0 1 388.512 2.601 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000519757253 602203158 /nfs/dbraw/zinc/20/31/58/602203158.db2.gz CBGLFHXSXSTFLE-CQSZACIVSA-N 0 1 390.386 2.773 20 0 GFADMN COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000832545273 602230590 /nfs/dbraw/zinc/23/05/90/602230590.db2.gz CUYHQOKDIFBFNB-INIZCTEOSA-N 0 1 386.492 2.886 20 0 GFADMN COC(=O)c1sc(NC(=O)CC[N@H+]2CCC3(CCC3)C2)c(C(=O)[O-])c1C ZINC000831476251 602239819 /nfs/dbraw/zinc/23/98/19/602239819.db2.gz UIVREOHYKXKVRO-UHFFFAOYSA-N 0 1 380.466 2.746 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001310 602259481 /nfs/dbraw/zinc/25/94/81/602259481.db2.gz MUERTHDJPXYETL-BLLLJJGKSA-N 0 1 388.493 2.920 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000739001310 602259483 /nfs/dbraw/zinc/25/94/83/602259483.db2.gz MUERTHDJPXYETL-BLLLJJGKSA-N 0 1 388.493 2.920 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000740729247 602268594 /nfs/dbraw/zinc/26/85/94/602268594.db2.gz HVDUYLHEOOQVKY-ZIFCJYIRSA-N 0 1 389.471 2.954 20 0 GFADMN CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000739501329 602274237 /nfs/dbraw/zinc/27/42/37/602274237.db2.gz HZWJRDJZXJEACT-YJBOKZPZSA-N 0 1 377.485 2.554 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000739013073 602274351 /nfs/dbraw/zinc/27/43/51/602274351.db2.gz XQPXIKMEBVWSDH-UHMOLFJZSA-N 0 1 376.497 2.952 20 0 GFADMN C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000827225937 602297637 /nfs/dbraw/zinc/29/76/37/602297637.db2.gz GEAQANZLMSHJFX-VGOFRKELSA-N 0 1 381.476 2.811 20 0 GFADMN O=C([O-])N[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000740689587 602314378 /nfs/dbraw/zinc/31/43/78/602314378.db2.gz NGCXMCKTEPEVLQ-ICSRJNTNSA-N 0 1 381.476 2.676 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000833247831 602332884 /nfs/dbraw/zinc/33/28/84/602332884.db2.gz WKQJESSFIDMOAY-UHFFFAOYSA-N 0 1 382.844 2.769 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CCC(=O)N2CCc3sccc3C2)C2CC2)CC1 ZINC000740500748 602380163 /nfs/dbraw/zinc/38/01/63/602380163.db2.gz SRDPXJXOUAFBOU-UHFFFAOYSA-N 0 1 377.510 2.630 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000828019782 602389589 /nfs/dbraw/zinc/38/95/89/602389589.db2.gz CSDHEHFAABQUPH-AVRDEDQJSA-N 0 1 394.427 2.907 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739059963 602417921 /nfs/dbraw/zinc/41/79/21/602417921.db2.gz RNIMYJUOTSBWFW-APWZRJJASA-N 0 1 388.512 2.853 20 0 GFADMN CCC(CC)(CNC(=O)[O-])NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000739249046 602443684 /nfs/dbraw/zinc/44/36/84/602443684.db2.gz GFHYPKCEZQELLF-UHFFFAOYSA-N 0 1 382.530 2.606 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740080365 602448216 /nfs/dbraw/zinc/44/82/16/602448216.db2.gz OGWRYWVIXUPEEF-MRXNPFEDSA-N 0 1 388.512 2.902 20 0 GFADMN O=C([O-])N1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1 ZINC000740462271 602452387 /nfs/dbraw/zinc/45/23/87/602452387.db2.gz SQOYGDZFANUOJP-KGLIPLIRSA-N 0 1 380.876 2.776 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738604575 602529899 /nfs/dbraw/zinc/52/98/99/602529899.db2.gz RXPGEEQWGKLLBR-KGLIPLIRSA-N 0 1 390.509 2.575 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738636414 602531818 /nfs/dbraw/zinc/53/18/18/602531818.db2.gz FYTBMQNUSKCIQD-MNOVXSKESA-N 0 1 380.445 2.694 20 0 GFADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738636414 602531820 /nfs/dbraw/zinc/53/18/20/602531820.db2.gz FYTBMQNUSKCIQD-MNOVXSKESA-N 0 1 380.445 2.694 20 0 GFADMN C[C@@H](C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738618595 602588962 /nfs/dbraw/zinc/58/89/62/602588962.db2.gz UQUDXRDYJDWOKD-JXFKEZNVSA-N 0 1 385.508 2.814 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739453595 602624494 /nfs/dbraw/zinc/62/44/94/602624494.db2.gz GRWDERMHIIFMST-MRXNPFEDSA-N 0 1 376.526 2.566 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739059440 602651044 /nfs/dbraw/zinc/65/10/44/602651044.db2.gz OXDGVKBUZKFYOM-ZIFCJYIRSA-N 0 1 388.512 2.901 20 0 GFADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738891215 602682473 /nfs/dbraw/zinc/68/24/73/602682473.db2.gz QYQLJWFOWHJFRX-KRWDZBQOSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739081731 602697578 /nfs/dbraw/zinc/69/75/78/602697578.db2.gz RWTYNCDGUVFNEB-BBWFWOEESA-N 0 1 390.528 2.899 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1)C(C)C ZINC000739452200 602775297 /nfs/dbraw/zinc/77/52/97/602775297.db2.gz ONXQDBDPIPLVKD-CRAIPNDOSA-N 0 1 376.501 2.838 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1)C(C)C ZINC000739452200 602775299 /nfs/dbraw/zinc/77/52/99/602775299.db2.gz ONXQDBDPIPLVKD-CRAIPNDOSA-N 0 1 376.501 2.838 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739179136 602788597 /nfs/dbraw/zinc/78/85/97/602788597.db2.gz LRQISRUCNFENQW-VQIMIIECSA-N 0 1 388.512 2.984 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739179136 602788599 /nfs/dbraw/zinc/78/85/99/602788599.db2.gz LRQISRUCNFENQW-VQIMIIECSA-N 0 1 388.512 2.984 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1Br ZINC000740084114 602800982 /nfs/dbraw/zinc/80/09/82/602800982.db2.gz IYKVPOBHUANYED-SMDDNHRTSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1Br ZINC000740084114 602800984 /nfs/dbraw/zinc/80/09/84/602800984.db2.gz IYKVPOBHUANYED-SMDDNHRTSA-N 0 1 384.274 2.674 20 0 GFADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000739964685 602898234 /nfs/dbraw/zinc/89/82/34/602898234.db2.gz PLPOXYGSTJJORH-SFHVURJKSA-N 0 1 377.485 2.727 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)C1 ZINC000739559166 602904070 /nfs/dbraw/zinc/90/40/70/602904070.db2.gz XDLHLXAQFHVUGF-KBXCAEBGSA-N 0 1 386.452 2.627 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000740621421 602981012 /nfs/dbraw/zinc/98/10/12/602981012.db2.gz XBEALBDABCFYCU-XYJFISCASA-N 0 1 377.460 2.590 20 0 GFADMN C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736810810 602985686 /nfs/dbraw/zinc/98/56/86/602985686.db2.gz VNYHPKUFYXWIRM-KXBFYZLASA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736810810 602985690 /nfs/dbraw/zinc/98/56/90/602985690.db2.gz VNYHPKUFYXWIRM-KXBFYZLASA-N 0 1 383.448 2.656 20 0 GFADMN CN(Cc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000739712628 602997640 /nfs/dbraw/zinc/99/76/40/602997640.db2.gz HHFPMJKQQIZFDL-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN CN(Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000739712628 602997644 /nfs/dbraw/zinc/99/76/44/602997644.db2.gz HHFPMJKQQIZFDL-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000740556118 603099646 /nfs/dbraw/zinc/09/96/46/603099646.db2.gz GJHHQUUAUGXYOG-DAWZGUTISA-N 0 1 380.533 2.909 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000740556002 603140034 /nfs/dbraw/zinc/14/00/34/603140034.db2.gz ZWBGUQRDQLDADS-UHFFFAOYSA-N 0 1 392.525 2.936 20 0 GFADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@H]3CCCN(C(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000738095059 603148255 /nfs/dbraw/zinc/14/82/55/603148255.db2.gz ZVTPRVJDFIMEOW-XYJFISCASA-N 0 1 376.453 2.621 20 0 GFADMN Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1NC(=O)[O-] ZINC000830211390 603231961 /nfs/dbraw/zinc/23/19/61/603231961.db2.gz POEUJDPAMWSOBM-UHFFFAOYSA-N 0 1 375.469 2.850 20 0 GFADMN C[C@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000824906076 603311504 /nfs/dbraw/zinc/31/15/04/603311504.db2.gz BDOYYBRAWWIAJK-RHSMWYFYSA-N 0 1 387.505 2.662 20 0 GFADMN C[C@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000824906076 603311508 /nfs/dbraw/zinc/31/15/08/603311508.db2.gz BDOYYBRAWWIAJK-RHSMWYFYSA-N 0 1 387.505 2.662 20 0 GFADMN O=C([O-])NC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832404224 603319905 /nfs/dbraw/zinc/31/99/05/603319905.db2.gz YRZNOHHZPGTMHG-PMACEKPBSA-N 0 1 381.476 2.819 20 0 GFADMN C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828421978 603398541 /nfs/dbraw/zinc/39/85/41/603398541.db2.gz QMMYKBFRCCPUAO-IRXDYDNUSA-N 0 1 385.489 2.968 20 0 GFADMN C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828421978 603398546 /nfs/dbraw/zinc/39/85/46/603398546.db2.gz QMMYKBFRCCPUAO-IRXDYDNUSA-N 0 1 385.489 2.968 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000739174654 603414038 /nfs/dbraw/zinc/41/40/38/603414038.db2.gz QAVLNRDZEYIRSQ-RHSMWYFYSA-N 0 1 379.476 2.931 20 0 GFADMN O=C([O-])N[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000832100350 603425270 /nfs/dbraw/zinc/42/52/70/603425270.db2.gz XSNFDWDUNVREBU-VQTJNVASSA-N 0 1 381.476 2.646 20 0 GFADMN Cc1[nH+]ccn1CCCCNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830825095 603484742 /nfs/dbraw/zinc/48/47/42/603484742.db2.gz ZMFKRCVKYFHCMU-UHFFFAOYSA-N 0 1 377.489 2.536 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827355972 603529069 /nfs/dbraw/zinc/52/90/69/603529069.db2.gz MLQBKFOJMSXQAL-AWEZNQCLSA-N 0 1 387.436 2.950 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000827355972 603529071 /nfs/dbraw/zinc/52/90/71/603529071.db2.gz MLQBKFOJMSXQAL-AWEZNQCLSA-N 0 1 387.436 2.950 20 0 GFADMN C[C@@H](CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000824923163 603626509 /nfs/dbraw/zinc/62/65/09/603626509.db2.gz WOSVDYQRQNAIRO-MNNVXMFVSA-N 0 1 388.512 2.653 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2CNC(=O)[O-])C1 ZINC000825924438 603696852 /nfs/dbraw/zinc/69/68/52/603696852.db2.gz HXNICTGWPUZORK-APWZRJJASA-N 0 1 388.512 2.860 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824330081 603705870 /nfs/dbraw/zinc/70/58/70/603705870.db2.gz QMAXLXJEQVLVHI-SFHVURJKSA-N 0 1 376.501 2.811 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CNC(=O)[O-])cc(=O)oc2c1 ZINC000823610744 603720267 /nfs/dbraw/zinc/72/02/67/603720267.db2.gz FGZFWQHKFYYTBT-PXAZEXFGSA-N 0 1 387.436 2.620 20 0 GFADMN Cc1ccc(SCCNC(=O)C[N@H+](C)C2CCC(NC(=O)[O-])CC2)cc1 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/nfs/dbraw/zinc/97/78/48/603977848.db2.gz PWTKUWANBSVVNW-IBGZPJMESA-N 0 1 389.496 2.823 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823712163 603982629 /nfs/dbraw/zinc/98/26/29/603982629.db2.gz HIRSTEADPZVMSR-BNOWGMLFSA-N 0 1 383.395 2.832 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823712163 603982633 /nfs/dbraw/zinc/98/26/33/603982633.db2.gz HIRSTEADPZVMSR-BNOWGMLFSA-N 0 1 383.395 2.832 20 0 GFADMN CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCN(C(=O)[O-])CC1 ZINC000827816332 604011424 /nfs/dbraw/zinc/01/14/24/604011424.db2.gz RFNNZXJUPFVSOA-UHFFFAOYSA-N 0 1 392.525 2.842 20 0 GFADMN COc1ccc([C@@H]2CC[N@@H+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])C2)cc1 ZINC000829330955 604041908 /nfs/dbraw/zinc/04/19/08/604041908.db2.gz CWLPNEUYDUYYIY-GIVPXCGWSA-N 0 1 384.476 2.724 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(OCCCNC(=O)[O-])CC1 ZINC000823712226 604101243 /nfs/dbraw/zinc/10/12/43/604101243.db2.gz ITPCPDJDGOUBKS-ZDUSSCGKSA-N 0 1 383.876 2.806 20 0 GFADMN O=C([O-])NCCCOC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000832632905 604108462 /nfs/dbraw/zinc/10/84/62/604108462.db2.gz MBZQJHRMHMBWHD-UHFFFAOYSA-N 0 1 376.432 2.650 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000825228817 604110497 /nfs/dbraw/zinc/11/04/97/604110497.db2.gz NBAJDCRTMWCOGN-WMZOPIPTSA-N 0 1 376.501 2.586 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000829909028 604113130 /nfs/dbraw/zinc/11/31/30/604113130.db2.gz FENCJFUKGJZSCM-XHDPSFHLSA-N 0 1 376.482 2.711 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(C)n1-c1nccs1 ZINC000829909028 604113133 /nfs/dbraw/zinc/11/31/33/604113133.db2.gz FENCJFUKGJZSCM-XHDPSFHLSA-N 0 1 376.482 2.711 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000825220734 604125626 /nfs/dbraw/zinc/12/56/26/604125626.db2.gz VXHHCZIDMRVXSR-QFHJOOASSA-N 0 1 388.512 2.900 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000826988288 604135473 /nfs/dbraw/zinc/13/54/73/604135473.db2.gz CBMTYHSNQMTRST-YJBOKZPZSA-N 0 1 376.501 2.716 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000825216837 604143992 /nfs/dbraw/zinc/14/39/92/604143992.db2.gz ALFKWZJFINTFIX-SOLBZPMBSA-N 0 1 376.501 2.585 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCN1C(=O)[O-] ZINC000825996978 604158881 /nfs/dbraw/zinc/15/88/81/604158881.db2.gz UNJJOSJCHKLNIW-FMKPAKJESA-N 0 1 380.514 2.525 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CNC(=O)[O-])[C@@H]1c1cccs1 ZINC000828473448 604159640 /nfs/dbraw/zinc/15/96/40/604159640.db2.gz VGTTTZVTWDOQOR-IIAWOOMASA-N 0 1 380.514 2.573 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252489 604166572 /nfs/dbraw/zinc/16/65/72/604166572.db2.gz DXPDMPIOYHUCTI-YNEHKIRRSA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252489 604166575 /nfs/dbraw/zinc/16/65/75/604166575.db2.gz DXPDMPIOYHUCTI-YNEHKIRRSA-N 0 1 385.411 2.983 20 0 GFADMN CCCN(C(=O)[C@H](C)CN(C)C(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000826854259 604171814 /nfs/dbraw/zinc/17/18/14/604171814.db2.gz ZUCQXYUCXVPGTL-CQSZACIVSA-N 0 1 391.516 2.547 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000832339886 604205667 /nfs/dbraw/zinc/20/56/67/604205667.db2.gz PMNTYYFGGDZOLE-JQVVWYNYSA-N 0 1 385.508 2.937 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000825265229 604207283 /nfs/dbraw/zinc/20/72/83/604207283.db2.gz RCFHWVLCSYXKBM-NEPJUHHUSA-N 0 1 389.374 2.892 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000825265229 604207285 /nfs/dbraw/zinc/20/72/85/604207285.db2.gz RCFHWVLCSYXKBM-NEPJUHHUSA-N 0 1 389.374 2.892 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000825267538 604212018 /nfs/dbraw/zinc/21/20/18/604212018.db2.gz ZEJZNIAPHCYKCP-WBVHZDCISA-N 0 1 391.516 2.770 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000825267538 604212019 /nfs/dbraw/zinc/21/20/19/604212019.db2.gz ZEJZNIAPHCYKCP-WBVHZDCISA-N 0 1 391.516 2.770 20 0 GFADMN C[C@@H](NC(=O)C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000825122303 604235632 /nfs/dbraw/zinc/23/56/32/604235632.db2.gz QWWSMCZVDOSCQC-CQSZACIVSA-N 0 1 377.460 2.857 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)cc(=O)oc2c1 ZINC000823611632 604255960 /nfs/dbraw/zinc/25/59/60/604255960.db2.gz ROLSIDXECRJYQY-OCCSQVGLSA-N 0 1 387.436 2.620 20 0 GFADMN C[C@H](CC(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824646876 604316785 /nfs/dbraw/zinc/31/67/85/604316785.db2.gz QVYJSMNPYSQSPL-CABCVRRESA-N 0 1 379.526 2.639 20 0 GFADMN 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PMBBGDCXEUHQRS-LJQANCHMSA-N 0 1 383.448 2.663 20 0 GFADMN CC(C)C[N@H+]1Cc2cccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])c2C1 ZINC000833797565 605960638 /nfs/dbraw/zinc/96/06/38/605960638.db2.gz YZZJGEXDZATFJZ-MRXNPFEDSA-N 0 1 375.469 2.756 20 0 GFADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000833913251 606081801 /nfs/dbraw/zinc/08/18/01/606081801.db2.gz WRZATLYGVINVOA-ZDUSSCGKSA-N 0 1 382.530 2.826 20 0 GFADMN Cc1ccccc1Cc1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)no1 ZINC000822362198 606313028 /nfs/dbraw/zinc/31/30/28/606313028.db2.gz NYZNAKNCZRDERC-UHFFFAOYSA-N 0 1 399.414 2.512 20 0 GFADMN O=C1[C@H](N2CC[C@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504097 606318382 /nfs/dbraw/zinc/31/83/82/606318382.db2.gz MALNTSWKJBHBBM-GOEBONIOSA-N 0 1 380.477 2.523 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000821649716 606322545 /nfs/dbraw/zinc/32/25/45/606322545.db2.gz BUAQMICPOUJAHE-CCKFTAQKSA-N 0 1 377.448 2.959 20 0 GFADMN O=C1[C@H](N2CCC[C@@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503779 606323506 /nfs/dbraw/zinc/32/35/06/606323506.db2.gz ISSLATPUANUWHN-BEFAXECRSA-N 0 1 384.509 2.856 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000821588533 606366512 /nfs/dbraw/zinc/36/65/12/606366512.db2.gz XHGHISVENGCPKP-UHFFFAOYSA-N 0 1 395.467 2.511 20 0 GFADMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250031 606521040 /nfs/dbraw/zinc/52/10/40/606521040.db2.gz QEEKRRHXKRDZKO-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250031 606521042 /nfs/dbraw/zinc/52/10/42/606521042.db2.gz QEEKRRHXKRDZKO-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN CN(C(=O)c1cc(-c2nn[nH]n2)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821573383 606523831 /nfs/dbraw/zinc/52/38/31/606523831.db2.gz OAUFILQNUHUARL-INIZCTEOSA-N 0 1 382.493 2.665 20 0 GFADMN Cc1ccccc1CN1CCCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822356165 606535558 /nfs/dbraw/zinc/53/55/58/606535558.db2.gz LIGRUYWYVPSOCM-UHFFFAOYSA-N 0 1 382.493 2.585 20 0 GFADMN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821190171 606550976 /nfs/dbraw/zinc/55/09/76/606550976.db2.gz ZVCOBGPKAUTJSQ-UHFFFAOYSA-N 0 1 390.435 2.665 20 0 GFADMN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821190171 606550977 /nfs/dbraw/zinc/55/09/77/606550977.db2.gz ZVCOBGPKAUTJSQ-UHFFFAOYSA-N 0 1 390.435 2.665 20 0 GFADMN C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821587440 606565106 /nfs/dbraw/zinc/56/51/06/606565106.db2.gz XHAQJNWFKCVKCP-UHFFFAOYSA-N 0 1 392.872 2.774 20 0 GFADMN C[NH+](C)CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821587440 606565109 /nfs/dbraw/zinc/56/51/09/606565109.db2.gz XHAQJNWFKCVKCP-UHFFFAOYSA-N 0 1 392.872 2.774 20 0 GFADMN CCCCCc1nnc(NC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000821061640 606665354 /nfs/dbraw/zinc/66/53/54/606665354.db2.gz RPKNRTHIJSMKHL-UHFFFAOYSA-N 0 1 379.396 2.981 20 0 GFADMN C[C@]1(c2ccccc2)CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633364 606717685 /nfs/dbraw/zinc/71/76/85/606717685.db2.gz AUGYNMKZOIJWAM-JXFKEZNVSA-N 0 1 394.504 2.697 20 0 GFADMN CC(C)c1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1 ZINC000820192390 606751959 /nfs/dbraw/zinc/75/19/59/606751959.db2.gz MAHXDCBSLJGHNT-UHFFFAOYSA-N 0 1 386.481 2.857 20 0 GFADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000819928607 606753300 /nfs/dbraw/zinc/75/33/00/606753300.db2.gz ROVJTRWXCOVIHB-ZDUSSCGKSA-N 0 1 375.448 2.950 20 0 GFADMN C/C(=C/C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000819765793 606806882 /nfs/dbraw/zinc/80/68/82/606806882.db2.gz RNHMUTAGODAGCK-QBFSEMIESA-N 0 1 384.484 2.759 20 0 GFADMN C/C(=C\C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)C(C)(C)C ZINC000819765791 606806933 /nfs/dbraw/zinc/80/69/33/606806933.db2.gz RNHMUTAGODAGCK-ACCUITESSA-N 0 1 384.484 2.759 20 0 GFADMN CCO[C@@H]1C[C@H](N(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359293 606854227 /nfs/dbraw/zinc/85/42/27/606854227.db2.gz NJTVHUGIKUUZER-RBUKOAKNSA-N 0 1 393.495 2.967 20 0 GFADMN O=S(=O)(Nc1ccc(Cl)cc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823589233 606865706 /nfs/dbraw/zinc/86/57/06/606865706.db2.gz UUCLEIZCXOXECL-UHFFFAOYSA-N 0 1 389.746 2.738 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000821572280 607061942 /nfs/dbraw/zinc/06/19/42/607061942.db2.gz YLUHYGTUSKZGLW-HNNXBMFYSA-N 0 1 390.463 2.837 20 0 GFADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)s1 ZINC000822436207 607156050 /nfs/dbraw/zinc/15/60/50/607156050.db2.gz INWJQPNVLHWZQG-UHFFFAOYSA-N 0 1 392.510 2.939 20 0 GFADMN CC[C@@H](C)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061194 607816097 /nfs/dbraw/zinc/81/60/97/607816097.db2.gz WVZUJWBZSICGSL-RHSMWYFYSA-N 0 1 377.514 2.541 20 0 GFADMN CC[C@@H](C)[C@@H](C)N(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059634 607827917 /nfs/dbraw/zinc/82/79/17/607827917.db2.gz HZRNPSRMNZDGDL-ZIAGYGMSSA-N 0 1 377.514 2.539 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1COc1ccccc1-c1nnc[nH]1 ZINC000826369773 607848842 /nfs/dbraw/zinc/84/88/42/607848842.db2.gz QAIIRPNCRGUQRB-UHFFFAOYSA-N 0 1 385.334 2.832 20 0 GFADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000824319348 608105459 /nfs/dbraw/zinc/10/54/59/608105459.db2.gz MVWXGBQQYBKFGX-NSHDSACASA-N 0 1 399.459 2.778 20 0 GFADMN Cc1cccc([C@H]2CCN([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297844 608127976 /nfs/dbraw/zinc/12/79/76/608127976.db2.gz VCEJFCOJLYHCHO-AZUAARDMSA-N 0 1 388.475 2.770 20 0 GFADMN C[NH+](C)CCOc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825870629 608180463 /nfs/dbraw/zinc/18/04/63/608180463.db2.gz VVOIDJRUMFBXIM-UHFFFAOYSA-N 0 1 379.877 2.529 20 0 GFADMN C[NH+](C)CCOc1ccccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825870629 608180464 /nfs/dbraw/zinc/18/04/64/608180464.db2.gz VVOIDJRUMFBXIM-UHFFFAOYSA-N 0 1 379.877 2.529 20 0 GFADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824860308 608202480 /nfs/dbraw/zinc/20/24/80/608202480.db2.gz TWJDLNWBOWIOPV-LSDHHAIUSA-N 0 1 376.464 2.698 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)CCN1C ZINC000824860298 608203120 /nfs/dbraw/zinc/20/31/20/608203120.db2.gz TWJDLNWBOWIOPV-CABCVRRESA-N 0 1 376.464 2.698 20 0 GFADMN CC[N@H+](CCc1ccccn1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825428290 608316579 /nfs/dbraw/zinc/31/65/79/608316579.db2.gz IGWPPAUUNXYSFZ-UHFFFAOYSA-N 0 1 388.479 2.820 20 0 GFADMN CC[N@@H+](CCc1ccccn1)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825428290 608316580 /nfs/dbraw/zinc/31/65/80/608316580.db2.gz IGWPPAUUNXYSFZ-UHFFFAOYSA-N 0 1 388.479 2.820 20 0 GFADMN CC[N@H+](CCc1ccccn1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825428290 608316582 /nfs/dbraw/zinc/31/65/82/608316582.db2.gz IGWPPAUUNXYSFZ-UHFFFAOYSA-N 0 1 388.479 2.820 20 0 GFADMN CC[N@@H+](CCc1ccccn1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825428290 608316584 /nfs/dbraw/zinc/31/65/84/608316584.db2.gz IGWPPAUUNXYSFZ-UHFFFAOYSA-N 0 1 388.479 2.820 20 0 GFADMN COCC1(C)CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826152616 608327884 /nfs/dbraw/zinc/32/78/84/608327884.db2.gz HJGYPKCORBKMBZ-GFCCVEGCSA-N 0 1 392.891 2.596 20 0 GFADMN C[C@@H](NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000824585788 608433495 /nfs/dbraw/zinc/43/34/95/608433495.db2.gz TXYSAGMJRMVOIS-SECBINFHSA-N 0 1 378.408 2.886 20 0 GFADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554370 608460682 /nfs/dbraw/zinc/46/06/82/608460682.db2.gz OZPREOOKLRLFAJ-UONOGXRCSA-N 0 1 382.443 2.876 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826170359 608476405 /nfs/dbraw/zinc/47/64/05/608476405.db2.gz XSRZCNKTXXVEKM-CQSZACIVSA-N 0 1 392.463 2.853 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccccc1-n1cccn1 ZINC000826169699 608518370 /nfs/dbraw/zinc/51/83/70/608518370.db2.gz BESVZVADGHMCOE-CQSZACIVSA-N 0 1 375.436 2.912 20 0 GFADMN C[C@@H](c1ccccc1)N(C)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824770524 608532362 /nfs/dbraw/zinc/53/23/62/608532362.db2.gz LJCLVKWBZQQARU-HNNXBMFYSA-N 0 1 376.464 2.665 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000826170377 608551034 /nfs/dbraw/zinc/55/10/34/608551034.db2.gz YIUHWLKNQGVETC-CQSZACIVSA-N 0 1 375.436 2.912 20 0 GFADMN COCCN(Cc1c[nH]nc1-c1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159273 608567642 /nfs/dbraw/zinc/56/76/42/608567642.db2.gz ZQUHPPLDJVXPCV-UHFFFAOYSA-N 0 1 389.463 2.905 20 0 GFADMN CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011134 608568963 /nfs/dbraw/zinc/56/89/63/608568963.db2.gz YOGLUHYVBLFCII-XJKSGUPXSA-N 0 1 388.884 2.643 20 0 GFADMN CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011134 608568965 /nfs/dbraw/zinc/56/89/65/608568965.db2.gz YOGLUHYVBLFCII-XJKSGUPXSA-N 0 1 388.884 2.643 20 0 GFADMN CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059976 608578434 /nfs/dbraw/zinc/57/84/34/608578434.db2.gz MSULXKAIOBAARX-TZMCWYRMSA-N 0 1 399.499 2.889 20 0 GFADMN Cc1cc(C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)c(C)o1 ZINC000826259045 608675288 /nfs/dbraw/zinc/67/52/88/608675288.db2.gz FVRHHFYHIHPPGF-UHFFFAOYSA-N 0 1 386.481 2.532 20 0 GFADMN CN(CCOc1ccccc1-c1nn[nH]n1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000825946210 608694583 /nfs/dbraw/zinc/69/45/83/608694583.db2.gz NTBUEEQOGQCKLG-UHFFFAOYSA-N 0 1 375.436 2.768 20 0 GFADMN CN(C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000825908753 608747884 /nfs/dbraw/zinc/74/78/84/608747884.db2.gz LQBVWANMPLKMBV-GFCCVEGCSA-N 0 1 378.502 2.760 20 0 GFADMN CN(C[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000825908753 608747885 /nfs/dbraw/zinc/74/78/85/608747885.db2.gz LQBVWANMPLKMBV-GFCCVEGCSA-N 0 1 378.502 2.760 20 0 GFADMN O=C1[C@@H](NCc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(F)c(Cl)c1 ZINC000826476793 609140592 /nfs/dbraw/zinc/14/05/92/609140592.db2.gz PKLVHZNSEFDDPD-INIZCTEOSA-N 0 1 386.818 2.554 20 0 GFADMN Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289550 609152309 /nfs/dbraw/zinc/15/23/09/609152309.db2.gz FINOLEBYLFPCDV-SCLBCKFNSA-N 0 1 380.427 2.770 20 0 GFADMN C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547132 609154199 /nfs/dbraw/zinc/15/41/99/609154199.db2.gz MSXRUDGUFIGFGU-KUHUBIRLSA-N 0 1 394.454 2.848 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000825406440 609190502 /nfs/dbraw/zinc/19/05/02/609190502.db2.gz OENMGKBSULWRGW-INIZCTEOSA-N 0 1 387.875 2.661 20 0 GFADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000826469319 609224328 /nfs/dbraw/zinc/22/43/28/609224328.db2.gz BYLONYFTYLCWNN-AWEZNQCLSA-N 0 1 382.815 2.702 20 0 GFADMN OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826509514 609386673 /nfs/dbraw/zinc/38/66/73/609386673.db2.gz XTQKLNFHKOBPEX-MRXNPFEDSA-N 0 1 382.443 2.575 20 0 GFADMN OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826509514 609386676 /nfs/dbraw/zinc/38/66/76/609386676.db2.gz 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XHQLXMRMHKCFGZ-UHFFFAOYSA-N 0 1 387.259 2.624 20 0 GFADMN COc1cc(OC)c(NC(=O)CSc2nc(C)n[nH]2)cc1Br ZINC000275152252 655219817 /nfs/dbraw/zinc/21/98/17/655219817.db2.gz XHQLXMRMHKCFGZ-UHFFFAOYSA-N 0 1 387.259 2.624 20 0 GFADMN CN1CCN(c2ccc(NC(=O)Cc3ccc(Br)s3)cn2)CC1 ZINC000114316052 655221245 /nfs/dbraw/zinc/22/12/45/655221245.db2.gz WUVBWNPJAJWOLH-UHFFFAOYSA-N 0 1 395.326 2.839 20 0 GFADMN O=S(=O)(Cc1ccccc1)NCCNCc1cc(Br)cs1 ZINC000115846004 655242776 /nfs/dbraw/zinc/24/27/76/655242776.db2.gz YOORUCGRFDBBLP-UHFFFAOYSA-N 0 1 389.340 2.720 20 0 GFADMN COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000116711597 655251966 /nfs/dbraw/zinc/25/19/66/655251966.db2.gz FFUVXMVLJXREQW-XMMPIXPASA-N 0 1 389.445 2.661 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000117259881 655262451 /nfs/dbraw/zinc/26/24/51/655262451.db2.gz VQRSZBWTMWDCAH-NVXWUHKLSA-N 0 1 396.373 2.770 20 0 GFADMN COc1ccc2c(c1)[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112929 655262673 /nfs/dbraw/zinc/26/26/73/655262673.db2.gz IDOXYBWKAYATIZ-DOMZBBRYSA-N 0 1 399.559 2.718 20 0 GFADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cccnc1Br ZINC000177403982 655275429 /nfs/dbraw/zinc/27/54/29/655275429.db2.gz WZPAHJFOUDCVCA-UHFFFAOYSA-N 0 1 375.270 2.634 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000276596402 655280377 /nfs/dbraw/zinc/28/03/77/655280377.db2.gz AWOGLXXHURFGBW-INIZCTEOSA-N 0 1 385.888 2.966 20 0 GFADMN Cc1nc(CN2CCN(C(=O)[C@@H](C)Sc3ccccc3Cl)CC2)n[nH]1 ZINC000118682613 655280717 /nfs/dbraw/zinc/28/07/17/655280717.db2.gz XGSUNVWFLKRWPE-GFCCVEGCSA-N 0 1 379.917 2.592 20 0 GFADMN COc1ccc(-c2n[nH]c(S[C@H](C)c3nnnn3C)n2)cc1Br ZINC000276671493 655283078 /nfs/dbraw/zinc/28/30/78/655283078.db2.gz TWEAUHSWOTUYKJ-SSDOTTSWSA-N 0 1 396.274 2.620 20 0 GFADMN O=S(=O)(NCCOc1ncccc1C(F)(F)F)c1c(F)cccc1F ZINC000119212441 655293275 /nfs/dbraw/zinc/29/32/75/655293275.db2.gz RTLCVLZMVMNPBY-UHFFFAOYSA-N 0 1 382.310 2.736 20 0 GFADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)n[nH]1 ZINC000276982958 655296357 /nfs/dbraw/zinc/29/63/57/655296357.db2.gz FSCDZNOLXLTEGX-JTQLQIEISA-N 0 1 394.273 2.562 20 0 GFADMN CN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CCCN(C)C1 ZINC000119383740 655302021 /nfs/dbraw/zinc/30/20/21/655302021.db2.gz CSNIJFXVVVPUQB-SECBINFHSA-N 0 1 394.203 2.736 20 0 GFADMN CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000119538308 655306110 /nfs/dbraw/zinc/30/61/10/655306110.db2.gz DSMXHNFMDHWYAH-CQSZACIVSA-N 0 1 393.408 2.672 20 0 GFADMN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000178963614 655310887 /nfs/dbraw/zinc/31/08/87/655310887.db2.gz SWHJQKGJERDISZ-GFCCVEGCSA-N 0 1 384.727 2.539 20 0 GFADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(F)c(I)c1 ZINC000119766629 655314249 /nfs/dbraw/zinc/31/42/49/655314249.db2.gz DPFFJYFGDBCRQB-UHFFFAOYSA-N 0 1 382.136 2.954 20 0 GFADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(Br)ccc1F ZINC000278909694 655326908 /nfs/dbraw/zinc/32/69/08/655326908.db2.gz SRIAHSKZFAJWBO-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN COc1ccc(Br)c(NS(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000120149194 655329164 /nfs/dbraw/zinc/32/91/64/655329164.db2.gz WNGNOIXXZBRWJL-UHFFFAOYSA-N 0 1 380.651 2.645 20 0 GFADMN OC[C@H](NCCn1cccn1)c1ccc(Br)cc1C(F)(F)F ZINC000280758890 655330513 /nfs/dbraw/zinc/33/05/13/655330513.db2.gz NZKUYIPHSKOHNX-ZDUSSCGKSA-N 0 1 378.192 2.988 20 0 GFADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000120651873 655341426 /nfs/dbraw/zinc/34/14/26/655341426.db2.gz VMYDIJQIFIHULW-UHFFFAOYSA-N 0 1 376.459 2.829 20 0 GFADMN O=C(Nc1nc(SCCO)n[nH]1)c1cc(Br)ccc1Cl ZINC000120718295 655342901 /nfs/dbraw/zinc/34/29/01/655342901.db2.gz VSFNBAPUTADSOS-UHFFFAOYSA-N 0 1 377.651 2.557 20 0 GFADMN O=C1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(O)cc3)cc2N1 ZINC000182420330 655344009 /nfs/dbraw/zinc/34/40/09/655344009.db2.gz QUIQOKKBMLAAOV-UHFFFAOYSA-N 0 1 397.250 2.840 20 0 GFADMN O=C1[C@@H](c2cccc(Br)c2)CCN1CN1CCN(C2CCC2)CC1 ZINC000839997930 661123076 /nfs/dbraw/zinc/12/30/76/661123076.db2.gz OVMIATJIJXOAGG-GOSISDBHSA-N 0 1 392.341 2.893 20 0 GFADMN COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)nc1Br ZINC000182615452 655345703 /nfs/dbraw/zinc/34/57/03/655345703.db2.gz XALAJJOWUSYPBV-LLVKDONJSA-N 0 1 384.299 2.947 20 0 GFADMN O=C(Cc1cscc1Br)N1CCC(CN2CCOCC2)CC1 ZINC000292751087 655354078 /nfs/dbraw/zinc/35/40/78/655354078.db2.gz UWWMWTRVXOUTCZ-UHFFFAOYSA-N 0 1 387.343 2.624 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1Br ZINC000293049878 655358841 /nfs/dbraw/zinc/35/88/41/655358841.db2.gz ADXVHHWHGPFKPR-CQSZACIVSA-N 0 1 391.313 2.919 20 0 GFADMN CCCCn1cc(C(=O)NNC(=O)c2ccc(Br)s2)c(C)n1 ZINC000184760515 655359227 /nfs/dbraw/zinc/35/92/27/655359227.db2.gz VJBMQROUTXSATK-UHFFFAOYSA-N 0 1 385.287 2.890 20 0 GFADMN C[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000185002578 655361668 /nfs/dbraw/zinc/36/16/68/655361668.db2.gz NNHPSGPLELVMLW-UHFFFAOYSA-N 0 1 395.308 2.844 20 0 GFADMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC=CCC2)s1 ZINC000187106340 655372818 /nfs/dbraw/zinc/37/28/18/655372818.db2.gz XJTKJCQWRKDSNC-MRVPVSSYSA-N 0 1 380.285 2.684 20 0 GFADMN CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000298603314 655373324 /nfs/dbraw/zinc/37/33/24/655373324.db2.gz KCPHFZGKJZYPGN-GFCCVEGCSA-N 0 1 381.885 2.627 20 0 GFADMN CCN1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)[C@H](C)C1 ZINC000320402062 655382207 /nfs/dbraw/zinc/38/22/07/655382207.db2.gz VJKLXQSFBDRCRB-SNVBAGLBSA-N 0 1 396.738 2.602 20 0 GFADMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000327883928 655386530 /nfs/dbraw/zinc/38/65/30/655386530.db2.gz AGJSCUMPHLMSPU-UHFFFAOYSA-N 0 1 381.885 2.676 20 0 GFADMN COc1cnccc1[C@H](C)NC(=O)NNC(=O)c1ccc(Br)s1 ZINC000189630589 655387154 /nfs/dbraw/zinc/38/71/54/655387154.db2.gz ZLHIOWFJCGWIEU-QMMMGPOBSA-N 0 1 399.270 2.619 20 0 GFADMN C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000365921658 655396839 /nfs/dbraw/zinc/39/68/39/655396839.db2.gz MQOHUFIUSROULD-LLVKDONJSA-N 0 1 379.258 2.741 20 0 GFADMN COCC(COC)N1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000413480603 655402873 /nfs/dbraw/zinc/40/28/73/655402873.db2.gz RTMBLWIRIGIYQG-UHFFFAOYSA-N 0 1 394.313 2.781 20 0 GFADMN CC[C@]1(C)NC(=O)N(NC(=O)c2oc3ccc(Br)cc3c2C)C1=O ZINC000192728505 655406695 /nfs/dbraw/zinc/40/66/95/655406695.db2.gz FGAGYYSABWOJTP-INIZCTEOSA-N 0 1 394.225 2.869 20 0 GFADMN C[C@H]1CCCC[C@@]1(C[NH3+])[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000193035288 655407997 /nfs/dbraw/zinc/40/79/97/655407997.db2.gz XSYQVVRPARSDQN-ZANVPECISA-N 0 1 396.738 2.683 20 0 GFADMN CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1scnc1C(=O)OC ZINC000462654382 655413531 /nfs/dbraw/zinc/41/35/31/655413531.db2.gz HXIKMRDCTTVGRG-GFCCVEGCSA-N 0 1 388.898 2.883 20 0 GFADMN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s[n-]1 ZINC000473841114 655414842 /nfs/dbraw/zinc/41/48/42/655414842.db2.gz HPKJOIVDDGITKI-STQMWFEESA-N 0 1 377.539 2.945 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)c1ccc(OC)cc1 ZINC000473853759 655415087 /nfs/dbraw/zinc/41/50/87/655415087.db2.gz INGGKWDOMDMBEQ-CYBMUJFWSA-N 0 1 389.882 2.911 20 0 GFADMN CN1C(=O)CC[C@H](NCc2cc(Br)c(Br)s2)C1=O ZINC000227839743 655423023 /nfs/dbraw/zinc/42/30/23/655423023.db2.gz WOPFURYYLFCLPC-QMMMGPOBSA-N 0 1 396.104 2.510 20 0 GFADMN COCCNc1nn(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(=S)s1 ZINC000840130967 661138064 /nfs/dbraw/zinc/13/80/64/661138064.db2.gz WIVBMAKKKOSPME-KGLIPLIRSA-N 0 1 384.571 2.971 20 0 GFADMN C[N@@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000261384190 655441301 /nfs/dbraw/zinc/44/13/01/655441301.db2.gz IMLJJWWRMPIBOA-UHFFFAOYSA-N 0 1 375.878 2.791 20 0 GFADMN Cc1ccc([C@@H](N)C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000262626364 655446424 /nfs/dbraw/zinc/44/64/24/655446424.db2.gz GAIYKZONKNBNFA-SUMWQHHRSA-N 0 1 383.275 2.858 20 0 GFADMN CC(=O)NCC[N@@H+](Cc1ccc(Br)c(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000263449687 655451887 /nfs/dbraw/zinc/45/18/87/655451887.db2.gz ZBHOEBBXWBHNMW-VIFPVBQESA-N 0 1 377.666 2.514 20 0 GFADMN CCc1nn(C)c(OC)c1CNC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000576864252 655453367 /nfs/dbraw/zinc/45/33/67/655453367.db2.gz QRJQVXHCGJMFAV-LBPRGKRZSA-N 0 1 388.295 2.827 20 0 GFADMN CCS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000263990852 655455673 /nfs/dbraw/zinc/45/56/73/655455673.db2.gz HSMKNQPWGWJXNZ-KRWDZBQOSA-N 0 1 380.535 2.503 20 0 GFADMN CC(C)c1nc(C(=O)NCc2nnc[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000264132579 655457579 /nfs/dbraw/zinc/45/75/79/655457579.db2.gz MZRPCCFHQFIJDQ-UHFFFAOYSA-N 0 1 380.239 2.746 20 0 GFADMN CCOc1ccc(Br)cc1CN(C[C@](C)(O)C(=O)OC)C1CC1 ZINC000577655741 655463791 /nfs/dbraw/zinc/46/37/91/655463791.db2.gz WVXBRULXXZTUNV-KRWDZBQOSA-N 0 1 386.286 2.736 20 0 GFADMN CCc1nc(CNC(=O)N2CCc3cc(Br)cc(C)c3C2)n[nH]1 ZINC000578038661 655471736 /nfs/dbraw/zinc/47/17/36/655471736.db2.gz VHVUDJGONNPSNL-UHFFFAOYSA-N 0 1 378.274 2.706 20 0 GFADMN COCCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000264883977 655472857 /nfs/dbraw/zinc/47/28/57/655472857.db2.gz KOCFLQQWCLWZOK-UHFFFAOYSA-N 0 1 389.520 2.586 20 0 GFADMN Cc1cc(Br)c([O-])c(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000578235157 655474748 /nfs/dbraw/zinc/47/47/48/655474748.db2.gz MEKIHFHGJNWTCI-OVWKYPIYSA-N 0 1 383.286 2.934 20 0 GFADMN Ic1cccnc1NCC1(N2CCCC2)CCOCC1 ZINC000265840423 655491668 /nfs/dbraw/zinc/49/16/68/655491668.db2.gz NIWKPGFPFCDVGS-UHFFFAOYSA-N 0 1 387.265 2.743 20 0 GFADMN OC[C@H](NCc1ncc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000579513087 655500767 /nfs/dbraw/zinc/50/07/67/655500767.db2.gz HGIQXSLSEKXBJI-HNNXBMFYSA-N 0 1 381.270 2.981 20 0 GFADMN CCc1nc(CNC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000579924406 655505533 /nfs/dbraw/zinc/50/55/33/655505533.db2.gz UZAJHKPCIJOOSI-JTQLQIEISA-N 0 1 382.287 2.776 20 0 GFADMN C[C@H](O)CN1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000580139602 655508874 /nfs/dbraw/zinc/50/88/74/655508874.db2.gz DJWTXTQGFLKVND-NSHDSACASA-N 0 1 381.236 2.966 20 0 GFADMN Cc1cc(I)cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000597647716 655521237 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CN(C)Cc1ccc(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)cn1 ZINC000840506554 661166639 /nfs/dbraw/zinc/16/66/39/661166639.db2.gz AJCLKUUMVDAHMO-KRWDZBQOSA-N 0 1 392.297 2.711 20 0 GFADMN O=C(NCCN1CCCC1)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000735590510 655649261 /nfs/dbraw/zinc/64/92/61/655649261.db2.gz GSCSYPLKYMFBFU-UHFFFAOYSA-N 0 1 377.844 2.805 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000735627897 655650134 /nfs/dbraw/zinc/65/01/34/655650134.db2.gz LARMCBMBZYMSPW-LLVKDONJSA-N 0 1 392.903 2.864 20 0 GFADMN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000742308991 655715171 /nfs/dbraw/zinc/71/51/71/655715171.db2.gz OCTZGYUDCIKVCW-LBPRGKRZSA-N 0 1 383.901 2.612 20 0 GFADMN CCc1cc(CNC(=O)Nc2cc(C(=O)OC)c(F)cc2Br)n[nH]1 ZINC000743192722 655726814 /nfs/dbraw/zinc/72/68/14/655726814.db2.gz OWZUQHDHFWGQFY-UHFFFAOYSA-N 0 1 399.220 2.982 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000746164718 655758760 /nfs/dbraw/zinc/75/87/60/655758760.db2.gz 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GFADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccccc3Br)C2)cn1 ZINC000873645166 662811253 /nfs/dbraw/zinc/81/12/53/662811253.db2.gz UZTUDORMLINPPO-KGLIPLIRSA-N 0 1 378.270 2.873 20 0 GFADMN Nc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc(Br)n1 ZINC000873811271 662814954 /nfs/dbraw/zinc/81/49/54/662814954.db2.gz DIIMWFNIVZNKEI-GFCCVEGCSA-N 0 1 379.258 2.586 20 0 GFADMN CCn1ncc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1Br ZINC000873843334 662816018 /nfs/dbraw/zinc/81/60/18/662816018.db2.gz KXLNKFLNBDOULM-OAHLLOKOSA-N 0 1 395.301 2.707 20 0 GFADMN Cn1ncc2cc(CN3CCC(n4cc(Br)cn4)CC3)cnc21 ZINC000876726886 662865474 /nfs/dbraw/zinc/86/54/74/662865474.db2.gz BHTWIUGTRJTHFL-UHFFFAOYSA-N 0 1 375.274 2.764 20 0 GFADMN CN(C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)S(C)(=O)=O ZINC000876780212 662866276 /nfs/dbraw/zinc/86/62/76/662866276.db2.gz SGJNWKUYGHHMOD-OAHLLOKOSA-N 0 1 376.563 2.779 20 0 GFADMN COc1cnc(F)c(CNCCNC(=O)c2cccc(Br)c2)c1 ZINC000877033357 662869970 /nfs/dbraw/zinc/86/99/70/662869970.db2.gz 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C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCCCCn1cc(Br)cn1 ZINC000879821583 662940086 /nfs/dbraw/zinc/94/00/86/662940086.db2.gz TYOWLTQWYAKCFC-IAQYHMDHSA-N 0 1 380.290 2.631 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2ccc(OC(F)F)c(Br)c2)n[nH]1 ZINC000879966396 662943875 /nfs/dbraw/zinc/94/38/75/662943875.db2.gz NIOVWAMGPDRYKA-ZCFIWIBFSA-N 0 1 375.173 2.968 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000880833429 662975561 /nfs/dbraw/zinc/97/55/61/662975561.db2.gz XQJRXEQBVSSLOH-PSLIRLAXSA-N 0 1 389.253 2.525 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000880833430 662975688 /nfs/dbraw/zinc/97/56/88/662975688.db2.gz XQJRXEQBVSSLOH-RFAUZJTJSA-N 0 1 389.253 2.525 20 0 GFADMN O=S(=O)(c1cc2nc(Cl)ccc2s1)N1CCC(c2nc[nH]n2)CC1 ZINC000881978602 663011950 /nfs/dbraw/zinc/01/19/50/663011950.db2.gz WKDCQUKULLLVDN-UHFFFAOYSA-N 0 1 383.886 2.636 20 0 GFADMN Cc1cc(Cl)nc(CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)c1 ZINC000882157302 663018662 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CCOC(=O)c1sc(NC(=O)N2CCc3sc(CN)nc3C2)cc1C ZINC000883537425 663056809 /nfs/dbraw/zinc/05/68/09/663056809.db2.gz QCRXAHCSUJWBAY-UHFFFAOYSA-N 0 1 380.495 2.739 20 0 GFADMN COc1cc(Br)cc(NC(=O)N2CCc3sc(CN)nc3C2)c1 ZINC000883550105 663056885 /nfs/dbraw/zinc/05/68/85/663056885.db2.gz HBCQZDYZEIAJCG-UHFFFAOYSA-N 0 1 397.298 2.963 20 0 GFADMN CSCc1n[nH]c(CNC(=O)NCc2cc(Br)ccc2F)n1 ZINC000884054015 663064170 /nfs/dbraw/zinc/06/41/70/663064170.db2.gz NZNXXRSWQGFBPV-UHFFFAOYSA-N 0 1 388.266 2.569 20 0 GFADMN CSCc1nnc(CNC(=O)NCc2cc(Br)ccc2F)[nH]1 ZINC000884054015 663064172 /nfs/dbraw/zinc/06/41/72/663064172.db2.gz NZNXXRSWQGFBPV-UHFFFAOYSA-N 0 1 388.266 2.569 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)n1 ZINC000884085076 663064855 /nfs/dbraw/zinc/06/48/55/663064855.db2.gz LEUREVLZFUAGDG-JTQLQIEISA-N 0 1 398.330 2.861 20 0 GFADMN CSCc1nnc(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)[nH]1 ZINC000884085076 663064856 /nfs/dbraw/zinc/06/48/56/663064856.db2.gz LEUREVLZFUAGDG-JTQLQIEISA-N 0 1 398.330 2.861 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CSCc1nnc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(C)C)[nH]1 ZINC000891935352 663355847 /nfs/dbraw/zinc/35/58/47/663355847.db2.gz GNCCBMMTMAOZSQ-UHFFFAOYSA-N 0 1 381.889 2.699 20 0 GFADMN [O-]c1cc(Br)cnc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000892465755 663374710 /nfs/dbraw/zinc/37/47/10/663374710.db2.gz GSVGXFJSKJJWOI-QGZVFWFLSA-N 0 1 392.297 2.713 20 0 GFADMN [O-]c1cc(Br)cnc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000892465754 663374737 /nfs/dbraw/zinc/37/47/37/663374737.db2.gz GSVGXFJSKJJWOI-KRWDZBQOSA-N 0 1 392.297 2.713 20 0 GFADMN CCc1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3[O-])C2)ncn1 ZINC000892886812 663388371 /nfs/dbraw/zinc/38/83/71/663388371.db2.gz XIGGQUMAEYMSSJ-AWEZNQCLSA-N 0 1 392.301 2.661 20 0 GFADMN C[NH+](C)[C@H]1CCN(c2ccc(NCc3ncc(Br)cc3[O-])nc2)C1 ZINC000893205051 663401603 /nfs/dbraw/zinc/40/16/03/663401603.db2.gz HDRMIYWFRNIPOS-AWEZNQCLSA-N 0 1 392.301 2.697 20 0 GFADMN COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000894306048 663453362 /nfs/dbraw/zinc/45/33/62/663453362.db2.gz 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Cc1n[nH]c(SCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000191806627 552538824 /nfs/dbraw/zinc/53/88/24/552538824.db2.gz NZLWQMFVYLEWMW-LLVKDONJSA-N 0 1 386.308 2.907 20 0 GFADMN Cc1csc(C(=O)N(C)[C@H]2CCCN(C)C2)c1I ZINC000191824292 552539570 /nfs/dbraw/zinc/53/95/70/552539570.db2.gz WZGDTEAFCYKMRV-JTQLQIEISA-N 0 1 378.279 2.827 20 0 GFADMN COc1cc(Br)c(F)cc1S(=O)(=O)NCC(F)(F)C(F)F ZINC000192132932 552552227 /nfs/dbraw/zinc/55/22/27/552552227.db2.gz BVHWGSPSCKMEEH-UHFFFAOYSA-N 0 1 398.147 2.776 20 0 GFADMN O=S(=O)(c1ccc(Cl)c(Br)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000192206598 552555810 /nfs/dbraw/zinc/55/58/10/552555810.db2.gz JQIKUNRRAJXZLV-LLVKDONJSA-N 0 1 393.734 2.961 20 0 GFADMN Cc1cc(NC(=O)N[C@H](C)CN2CCN(C)CC2)cc(C)c1Br ZINC000192417961 552562474 /nfs/dbraw/zinc/56/24/74/552562474.db2.gz QPJPLCVDEHYWPS-CQSZACIVSA-N 0 1 383.334 2.823 20 0 GFADMN Cc1cc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc(C)c1Br ZINC000192419009 552562483 /nfs/dbraw/zinc/56/24/83/552562483.db2.gz 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C[C@@H]1CNCCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000237451032 553077708 /nfs/dbraw/zinc/07/77/08/553077708.db2.gz OVCZRJXEARXLAG-SECBINFHSA-N 0 1 386.340 2.997 20 0 GFADMN O[C@H](CNCc1ccc(F)cc1Br)COc1ccc2c(c1)OCO2 ZINC000238138197 553086341 /nfs/dbraw/zinc/08/63/41/553086341.db2.gz VCPKOAYXNNQJDY-CYBMUJFWSA-N 0 1 398.228 2.846 20 0 GFADMN CC1(C)[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H]2CCO[C@H]21 ZINC000245676316 553095208 /nfs/dbraw/zinc/09/52/08/553095208.db2.gz QQPFIEYMRYSCMM-HAGUPOPPSA-N 0 1 396.253 2.819 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Br)CCN1C[C@H](C)O ZINC000246684286 553111380 /nfs/dbraw/zinc/11/13/80/553111380.db2.gz BCILWEOTGWJLLN-RRFJBIMHSA-N 0 1 399.329 2.520 20 0 GFADMN O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1coc(Br)c1 ZINC000246804804 553113261 /nfs/dbraw/zinc/11/32/61/553113261.db2.gz RSRCTXSIMHFARR-ZBFHGGJFSA-N 0 1 393.281 2.655 20 0 GFADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1coc(Br)c1 ZINC000246804804 553113262 /nfs/dbraw/zinc/11/32/62/553113262.db2.gz RSRCTXSIMHFARR-ZBFHGGJFSA-N 0 1 393.281 2.655 20 0 GFADMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000247012232 553117155 /nfs/dbraw/zinc/11/71/55/553117155.db2.gz JBDMPDOJIVUCCI-WFASDCNBSA-N 0 1 386.323 2.910 20 0 GFADMN CN1CCC[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)[C@@H]1c1cccs1 ZINC000247375597 553121990 /nfs/dbraw/zinc/12/19/90/553121990.db2.gz DWVBMAQCGFKKCV-MJBQAUCRSA-N 0 1 385.599 2.977 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)CCc2cccc(Br)c2)C1 ZINC000248215946 553128272 /nfs/dbraw/zinc/12/82/72/553128272.db2.gz GCUTXMOWUROGLL-QGZVFWFLSA-N 0 1 383.330 2.855 20 0 GFADMN C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000248614839 553132048 /nfs/dbraw/zinc/13/20/48/553132048.db2.gz JUPXPDMIKOHPON-NNJUXLKUSA-N 0 1 398.750 2.541 20 0 GFADMN C[C@H](C[S@@](C)=O)N(C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000248614839 553132049 /nfs/dbraw/zinc/13/20/49/553132049.db2.gz JUPXPDMIKOHPON-NNJUXLKUSA-N 0 1 398.750 2.541 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000248893875 553136478 /nfs/dbraw/zinc/13/64/78/553136478.db2.gz UFXJDENWIQVJHJ-ZIAGYGMSSA-N 0 1 386.539 2.721 20 0 GFADMN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248908919 553137160 /nfs/dbraw/zinc/13/71/60/553137160.db2.gz XMJNHWUKUQXCDU-MNOVXSKESA-N 0 1 386.279 2.636 20 0 GFADMN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261624339 553154753 /nfs/dbraw/zinc/15/47/53/553154753.db2.gz BECNCUUSEMXOGC-ZMZPIMSZSA-N 0 1 393.329 2.721 20 0 GFADMN C[C@@](N)(C(=O)NCCC(=O)N1CCCCCC1)c1ccc(Br)cc1 ZINC000261697721 553156804 /nfs/dbraw/zinc/15/68/04/553156804.db2.gz IEOLRPFUQXPIOF-SFHVURJKSA-N 0 1 396.329 2.532 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(C3(N)CCCC3)no2)s1 ZINC000261862806 553160950 /nfs/dbraw/zinc/16/09/50/553160950.db2.gz UNBVANBUZIIERZ-LBPRGKRZSA-N 0 1 382.511 2.693 20 0 GFADMN CCOc1cc(Br)c(NC(=O)C[C@@H]2COCCN2)cc1OCC ZINC000262541687 553172575 /nfs/dbraw/zinc/17/25/75/553172575.db2.gz NKDAXEBALSUBCF-LLVKDONJSA-N 0 1 387.274 2.564 20 0 GFADMN CC(C)(CO)CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453274660 564452270 /nfs/dbraw/zinc/45/22/70/564452270.db2.gz KSMRNNRMIZHIQI-CYBMUJFWSA-N 0 1 376.316 2.666 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000300533025 563391771 /nfs/dbraw/zinc/39/17/71/563391771.db2.gz FKJADWYGLALHQO-GFCCVEGCSA-N 0 1 379.295 2.693 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(Br)cc2F)n[nH]1 ZINC000285327961 563515256 /nfs/dbraw/zinc/51/52/56/563515256.db2.gz JNRWMJIIMDGSQI-RXMQYKEDSA-N 0 1 397.657 2.708 20 0 GFADMN Cn1ncc(Br)c1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000294679862 563212687 /nfs/dbraw/zinc/21/26/87/563212687.db2.gz FBBAEZHTXPSZFN-LBPRGKRZSA-N 0 1 383.315 2.811 20 0 GFADMN CCOCC[C@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000277562718 563213178 /nfs/dbraw/zinc/21/31/78/563213178.db2.gz ALXZGOMLRJQLDN-INIZCTEOSA-N 0 1 375.340 2.941 20 0 GFADMN CC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000369538068 563216419 /nfs/dbraw/zinc/21/64/19/563216419.db2.gz ADHXLRBHYWLDRJ-YJBOKZPZSA-N 0 1 378.519 2.922 20 0 GFADMN CCc1sc(C(=O)Nc2nc(SCCO)n[nH]2)cc1Br ZINC000294849980 563219072 /nfs/dbraw/zinc/21/90/72/563219072.db2.gz FZIQLVWQMQCQHZ-UHFFFAOYSA-N 0 1 377.289 2.528 20 0 GFADMN C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294866770 563219435 /nfs/dbraw/zinc/21/94/35/563219435.db2.gz UHHOPIDJTQZHSJ-JTQLQIEISA-N 0 1 378.274 2.952 20 0 GFADMN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000370012604 563231283 /nfs/dbraw/zinc/23/12/83/563231283.db2.gz TYQIUCWYELVDLB-UHFFFAOYSA-N 0 1 379.492 2.757 20 0 GFADMN O=C(NC[C@H]1CCCN(Cc2cnc(Br)s2)C1)C(F)(F)F ZINC000295173836 563233315 /nfs/dbraw/zinc/23/33/15/563233315.db2.gz HCLQTQYRIVVGHE-MRVPVSSYSA-N 0 1 386.237 2.796 20 0 GFADMN CCn1ncnc1CNC1CCN(Cc2ccccc2Br)CC1 ZINC000370482142 563245709 /nfs/dbraw/zinc/24/57/09/563245709.db2.gz BYGOKDZLQDJZOS-UHFFFAOYSA-N 0 1 378.318 2.815 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(F)c(Br)cc1Cl ZINC000295403848 563246301 /nfs/dbraw/zinc/24/63/01/563246301.db2.gz IVSQJACXQYRREZ-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN Cn1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c(-c2ccccn2)n1 ZINC000370537364 563247869 /nfs/dbraw/zinc/24/78/69/563247869.db2.gz DLLCATNHNYEZSS-UHFFFAOYSA-N 0 1 384.248 2.985 20 0 GFADMN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370629189 563250956 /nfs/dbraw/zinc/25/09/56/563250956.db2.gz NUEYOUJEZKWEOP-NSHDSACASA-N 0 1 388.269 2.997 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(F)c1Br ZINC000295507770 563251056 /nfs/dbraw/zinc/25/10/56/563251056.db2.gz YVYZASXPYILZAY-LBPRGKRZSA-N 0 1 385.277 2.914 20 0 GFADMN O=C(Cc1ccc(Br)cc1)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000370757745 563254192 /nfs/dbraw/zinc/25/41/92/563254192.db2.gz IMNCKHDGTZBBSO-WBVHZDCISA-N 0 1 381.314 2.609 20 0 GFADMN COc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000370762483 563254854 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CCOc1c(Br)cc(C(=O)NCCN2CC=CCC2)cc1OC ZINC000506768439 564212087 /nfs/dbraw/zinc/21/20/87/564212087.db2.gz WTPARNRTUXHEMB-UHFFFAOYSA-N 0 1 383.286 2.848 20 0 GFADMN CC[C@H]1CN(C(=O)c2cc(Br)c(C)cc2C)CCN1C[C@H](C)O ZINC000450023100 564213358 /nfs/dbraw/zinc/21/33/58/564213358.db2.gz CVPIWNRSEXANNN-GJZGRUSLSA-N 0 1 383.330 2.983 20 0 GFADMN Cc1nc(COc2ccc(NS(=O)(=O)c3cncc(Cl)c3)cc2)no1 ZINC000506994735 564215212 /nfs/dbraw/zinc/21/52/12/564215212.db2.gz KHUKAMVKXVIJRD-UHFFFAOYSA-N 0 1 380.813 2.806 20 0 GFADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000450057862 564215519 /nfs/dbraw/zinc/21/55/19/564215519.db2.gz PSXAEPUKPWTNNL-JCGIZDLHSA-N 0 1 393.325 2.733 20 0 GFADMN CC[C@H](CO)N1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450359754 564228922 /nfs/dbraw/zinc/22/89/22/564228922.db2.gz IHSINCFAHHVGTR-LLVKDONJSA-N 0 1 382.224 2.756 20 0 GFADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000472754449 564232389 /nfs/dbraw/zinc/23/23/89/564232389.db2.gz 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CC[C@@H](O)CC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000565524261 564284747 /nfs/dbraw/zinc/28/47/47/564284747.db2.gz LJSLIXJHWXFNMZ-TZMCWYRMSA-N 0 1 384.318 2.689 20 0 GFADMN CN(C(=O)c1cc(I)ccc1F)[C@@H]1CCCN(C)C1 ZINC000474691874 564286006 /nfs/dbraw/zinc/28/60/06/564286006.db2.gz PVALMYJDTFZXMQ-LLVKDONJSA-N 0 1 376.213 2.597 20 0 GFADMN C[C@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccon1 ZINC000541814869 564290001 /nfs/dbraw/zinc/29/00/01/564290001.db2.gz UYJZNUSVEDEDCU-VIFPVBQESA-N 0 1 391.229 2.783 20 0 GFADMN C[C@H](NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccon1 ZINC000541814869 564290006 /nfs/dbraw/zinc/29/00/06/564290006.db2.gz UYJZNUSVEDEDCU-VIFPVBQESA-N 0 1 391.229 2.783 20 0 GFADMN C[C@H]1CCN(C)CCN1S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000565654688 564290222 /nfs/dbraw/zinc/29/02/22/564290222.db2.gz SCKKWLKCQISPDG-NSHDSACASA-N 0 1 395.750 2.958 20 0 GFADMN CC(C)N1C(=O)C[C@@H](N[C@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542160535 564303201 /nfs/dbraw/zinc/30/32/01/564303201.db2.gz 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565041151 /nfs/dbraw/zinc/04/11/51/565041151.db2.gz AHFBDKMLIWAVRV-UONOGXRCSA-N 0 1 377.286 2.844 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CCN1C ZINC000536598043 565041515 /nfs/dbraw/zinc/04/15/15/565041515.db2.gz LQODUJBQAZVSQB-MBNYWOFBSA-N 0 1 384.307 2.897 20 0 GFADMN Cc1cccc(OC[C@H](O)CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000563003715 565051131 /nfs/dbraw/zinc/05/11/31/565051131.db2.gz WHGQKUXREPLFGJ-OAHLLOKOSA-N 0 1 383.897 2.581 20 0 GFADMN CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000537020442 565051865 /nfs/dbraw/zinc/05/18/65/565051865.db2.gz WUYYRZGGZAHMQJ-QPUJVOFHSA-N 0 1 384.242 2.821 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)NC(=O)CN1CCN(CC)CC1 ZINC000470749178 565054820 /nfs/dbraw/zinc/05/48/20/565054820.db2.gz KOOYYPRRYLCKNG-INIZCTEOSA-N 0 1 382.346 2.524 20 0 GFADMN CCc1ncc(CNCc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000537320575 565056929 /nfs/dbraw/zinc/05/69/29/565056929.db2.gz IYTIUCRSYRLOTE-UHFFFAOYSA-N 0 1 379.551 2.921 20 0 GFADMN O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1NCCc2ccccc21 ZINC000563138101 565056954 /nfs/dbraw/zinc/05/69/54/565056954.db2.gz JMQGMXNZVMAMRN-QGZVFWFLSA-N 0 1 395.322 2.756 20 0 GFADMN CN(C)[C@H](CNC(=O)c1cnn2cc(Br)cnc12)c1ccsc1 ZINC000537646092 565060818 /nfs/dbraw/zinc/06/08/18/565060818.db2.gz ZODRAHGRRUVVLF-CYBMUJFWSA-N 0 1 394.298 2.586 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCN(c2cccc(Br)c2)CC1 ZINC000635908356 565080708 /nfs/dbraw/zinc/08/07/08/565080708.db2.gz HXXDFDHBEARYIF-HUUCEWRRSA-N 0 1 375.270 2.625 20 0 GFADMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000684840821 565085371 /nfs/dbraw/zinc/08/53/71/565085371.db2.gz SRRIWBSVOAJMRX-HNNXBMFYSA-N 0 1 380.832 2.860 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC[C@@H]1CC12CC2 ZINC000584520050 565085664 /nfs/dbraw/zinc/08/56/64/565085664.db2.gz QRKBPTPZISWJFE-NSHDSACASA-N 0 1 376.258 2.834 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC[C@@H]1CC12CC2 ZINC000584520050 565085669 /nfs/dbraw/zinc/08/56/69/565085669.db2.gz 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Brc1cnc2c(-c3noc([C@@H]4CCCN4C4CC4)n3)cnn2c1 ZINC000664957396 565486787 /nfs/dbraw/zinc/48/67/87/565486787.db2.gz TZGKXKWRMIVTGX-LBPRGKRZSA-N 0 1 375.230 2.841 20 0 GFADMN O=C(NCCCc1nc[nH]n1)NCCc1ccc(Br)cc1Cl ZINC000664972068 565487586 /nfs/dbraw/zinc/48/75/86/565487586.db2.gz XHIFUCQSYYJIKD-UHFFFAOYSA-N 0 1 386.681 2.695 20 0 GFADMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc(Br)cc1OCCCO ZINC000644708837 565491283 /nfs/dbraw/zinc/49/12/83/565491283.db2.gz LHTAGBSXFWWDHL-XJKSGUPXSA-N 0 1 399.329 2.872 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 ZINC000665231856 565494732 /nfs/dbraw/zinc/49/47/32/565494732.db2.gz TXXMGOZRJDGDLX-LLVKDONJSA-N 0 1 389.308 2.683 20 0 GFADMN Cc1nnc([C@@H]2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)C2)[nH]1 ZINC000665231856 565494736 /nfs/dbraw/zinc/49/47/36/565494736.db2.gz TXXMGOZRJDGDLX-LLVKDONJSA-N 0 1 389.308 2.683 20 0 GFADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCO)Cc2ccc(Br)s2)C1 ZINC000623212609 565499471 /nfs/dbraw/zinc/49/94/71/565499471.db2.gz DOPOKBHQQZYTTP-ZWNOBZJWSA-N 0 1 398.326 2.921 20 0 GFADMN COc1ccc([C@H](C)NC(=O)[C@H]2CCCc3n[nH]nc32)cc1Br ZINC000665532492 565503807 /nfs/dbraw/zinc/50/38/07/565503807.db2.gz LLCBLXFWCGLDDZ-ONGXEEELSA-N 0 1 379.258 2.873 20 0 GFADMN COC(=O)c1oc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)cc1C ZINC000596042274 565508916 /nfs/dbraw/zinc/50/89/16/565508916.db2.gz SKHHKWBOCCJYBT-UHFFFAOYSA-N 0 1 386.857 2.890 20 0 GFADMN Brc1ccccc1CNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623780252 565530349 /nfs/dbraw/zinc/53/03/49/565530349.db2.gz DZQNPJWMQXUCOQ-KRWDZBQOSA-N 0 1 376.298 2.835 20 0 GFADMN O=S(=O)(CCC[C@H]1CCOC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000645503739 565532284 /nfs/dbraw/zinc/53/22/84/565532284.db2.gz MMRMKQHVRVHEGC-DLBZAZTESA-N 0 1 386.583 2.696 20 0 GFADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ncccc2C(F)(F)F)o1 ZINC000645561660 565538202 /nfs/dbraw/zinc/53/82/02/565538202.db2.gz HCPAINYQJGVRJB-GFCCVEGCSA-N 0 1 378.372 2.922 20 0 GFADMN C[C@](N)(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Br)cc1 ZINC000645580742 565541280 /nfs/dbraw/zinc/54/12/80/565541280.db2.gz ARZIZUDXWWCIBY-DOTOQJQBSA-N 0 1 393.285 2.637 20 0 GFADMN COC(=O)[C@@H]1OCC[C@@H]1NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000597185362 565553912 /nfs/dbraw/zinc/55/39/12/565553912.db2.gz BNKUWPHUXMJHBM-UONOGXRCSA-N 0 1 397.294 2.993 20 0 GFADMN CN1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000645724263 565555243 /nfs/dbraw/zinc/55/52/43/565555243.db2.gz NUQBMURITDUCCJ-HZMBPMFUSA-N 0 1 393.734 2.568 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000597860680 565578565 /nfs/dbraw/zinc/57/85/65/565578565.db2.gz BTAQVVGTXMLWFU-QFIPXVFZSA-N 0 1 384.299 2.719 20 0 GFADMN C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000646221216 565591882 /nfs/dbraw/zinc/59/18/82/565591882.db2.gz BQSPWGLLGXHYEU-TZMCWYRMSA-N 0 1 387.343 2.503 20 0 GFADMN Cc1c(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)n[nH]c1C(F)(F)F ZINC000667563764 565594815 /nfs/dbraw/zinc/59/48/15/565594815.db2.gz PRJZUXIKZMYVQM-JGVFFNPUSA-N 0 1 375.269 2.659 20 0 GFADMN C[C@@H]1COCCN1C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000646315596 565596286 /nfs/dbraw/zinc/59/62/86/565596286.db2.gz MJWDARLQZPLLCV-CQSZACIVSA-N 0 1 381.314 2.703 20 0 GFADMN CC(=O)NC[C@@H]1CCCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625108411 565598930 /nfs/dbraw/zinc/59/89/30/565598930.db2.gz OMHJLUVWMRBDRA-GUYCJALGSA-N 0 1 394.313 2.551 20 0 GFADMN NS(=O)(=O)c1ccsc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000667733179 565604272 /nfs/dbraw/zinc/60/42/72/565604272.db2.gz VCGONWCFFJQFPB-UHFFFAOYSA-N 0 1 376.463 2.792 20 0 GFADMN CCN(CC(=O)Nc1nc2cc(I)ccc2[nH]1)C1CC1 ZINC000598424169 565615748 /nfs/dbraw/zinc/61/57/48/565615748.db2.gz NQHKGNGXSDKCCQ-UHFFFAOYSA-N 0 1 384.221 2.590 20 0 GFADMN CCN(CC(=O)Nc1nc2ccc(I)cc2[nH]1)C1CC1 ZINC000598424169 565615762 /nfs/dbraw/zinc/61/57/62/565615762.db2.gz NQHKGNGXSDKCCQ-UHFFFAOYSA-N 0 1 384.221 2.590 20 0 GFADMN CO[C@@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1CCC1 ZINC000667947211 565615959 /nfs/dbraw/zinc/61/59/59/565615959.db2.gz JNTATZQUTRPDNR-CQSZACIVSA-N 0 1 379.258 2.666 20 0 GFADMN CO[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1CCC1 ZINC000667947211 565615965 /nfs/dbraw/zinc/61/59/65/565615965.db2.gz JNTATZQUTRPDNR-CQSZACIVSA-N 0 1 379.258 2.666 20 0 GFADMN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@@H]1C[C@]12CCOC2 ZINC000598429593 565617002 /nfs/dbraw/zinc/61/70/02/565617002.db2.gz ZAIQTOBDIAJBEK-XPTSAGLGSA-N 0 1 383.189 2.533 20 0 GFADMN C[C@]1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCCOC1 ZINC000598428489 565617303 /nfs/dbraw/zinc/61/73/03/565617303.db2.gz PUJMTZCBLWVKAV-AWEZNQCLSA-N 0 1 385.205 2.923 20 0 GFADMN CCCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@@H]1CCN(C)C1 ZINC000646765776 565618087 /nfs/dbraw/zinc/61/80/87/565618087.db2.gz KZHPZXYDKINMLY-CQSZACIVSA-N 0 1 396.329 2.947 20 0 GFADMN O=S(=O)(c1ccc(Cl)c(-c2nc([C@@H]3CCCN3)no2)c1)N1CCCC1 ZINC000647155035 565641759 /nfs/dbraw/zinc/64/17/59/565641759.db2.gz QBBWPTSLAHXDRS-AWEZNQCLSA-N 0 1 382.873 2.599 20 0 GFADMN COc1ccccc1[C@H](N)CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000647187887 565643903 /nfs/dbraw/zinc/64/39/03/565643903.db2.gz ZOUNKQMAPKZLGV-OAHLLOKOSA-N 0 1 399.310 2.577 20 0 GFADMN COc1ccccc1[C@H](N)CNS(=O)(=O)c1cccc(C)c1Br ZINC000647187786 565644370 /nfs/dbraw/zinc/64/43/70/565644370.db2.gz WWLXLQDHZDCRBS-CYBMUJFWSA-N 0 1 399.310 2.744 20 0 GFADMN CC(C)(CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)[C@@]1(O)CCOC1 ZINC000647247739 565649362 /nfs/dbraw/zinc/64/93/62/565649362.db2.gz ZFPUOWYJPVCLNU-QGZVFWFLSA-N 0 1 385.295 2.841 20 0 GFADMN CO[C@]1(CO)CCCN(Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000668498254 565650566 /nfs/dbraw/zinc/65/05/66/565650566.db2.gz PENWNWFBYHVATH-GOSISDBHSA-N 0 1 394.313 2.917 20 0 GFADMN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625692800 565654040 /nfs/dbraw/zinc/65/40/40/565654040.db2.gz UCKBCHDXPSFBPL-HNNXBMFYSA-N 0 1 381.885 2.858 20 0 GFADMN O=S(=O)([N-][C@@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000647319147 565656243 /nfs/dbraw/zinc/65/62/43/565656243.db2.gz NUMZJUHRSUUNNP-SNVBAGLBSA-N 0 1 378.750 2.634 20 0 GFADMN Cc1nc(C(=O)N2CCC3(CN(C)C3)C2)nn1-c1c(Cl)cccc1Cl ZINC000647621959 565667458 /nfs/dbraw/zinc/66/74/58/565667458.db2.gz MFDQIMPYFFIHKX-UHFFFAOYSA-N 0 1 380.279 2.660 20 0 GFADMN O=C(NCCCc1ccc(Br)cc1F)[C@@H]1CCCc2n[nH]nc21 ZINC000668838184 565668424 /nfs/dbraw/zinc/66/84/24/565668424.db2.gz QXNQJRXLVLFDMV-GFCCVEGCSA-N 0 1 381.249 2.875 20 0 GFADMN Cn1nccc1[C@@H]([NH2+]Cc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000647646921 565669366 /nfs/dbraw/zinc/66/93/66/565669366.db2.gz UMYLCFULPWVSAD-GFCCVEGCSA-N 0 1 390.184 2.700 20 0 GFADMN Cc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)cc(Cl)c1Br ZINC000647679126 565670823 /nfs/dbraw/zinc/67/08/23/565670823.db2.gz PIXZWURDTRBBKX-ZDUSSCGKSA-N 0 1 386.721 2.531 20 0 GFADMN Cc1cc(C(=O)N(C)Cc2n[nH]c(=O)o2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000647695451 565671830 /nfs/dbraw/zinc/67/18/30/565671830.db2.gz GKLRGZYZEZERES-UHFFFAOYSA-N 0 1 382.207 2.848 20 0 GFADMN CN(Cc1nnc[nH]1)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000668995645 565674130 /nfs/dbraw/zinc/67/41/30/565674130.db2.gz IGNFOHBJWCUVHL-UHFFFAOYSA-N 0 1 388.063 2.531 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCNCC1(C)C ZINC000647840151 565679894 /nfs/dbraw/zinc/67/98/94/565679894.db2.gz RHPZMYKYZMYQNM-UHFFFAOYSA-N 0 1 383.286 2.631 20 0 GFADMN CN(C)C(=O)[C@H]1CCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000648043619 565688691 /nfs/dbraw/zinc/68/86/91/565688691.db2.gz BIZHJODRGSGLHP-JTQLQIEISA-N 0 1 377.229 2.961 20 0 GFADMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC(=O)NC1CC1 ZINC000599653909 565694997 /nfs/dbraw/zinc/69/49/97/565694997.db2.gz XEOREQLTFVXSRW-DGCLKSJQSA-N 0 1 380.286 2.615 20 0 GFADMN Cc1noc([C@@H]2OCC[C@@H]2NCC[S@](=O)c2cc(Cl)ccc2Cl)n1 ZINC000599684929 565696078 /nfs/dbraw/zinc/69/60/78/565696078.db2.gz JTQBZWUDFOEAIC-YZYGWBJASA-N 0 1 390.292 2.912 20 0 GFADMN COc1cc(C(=O)N[C@H](C)c2ccsc2)cc(NS(C)(=O)=O)c1OC ZINC000669900638 565707152 /nfs/dbraw/zinc/70/71/52/565707152.db2.gz YXKJIPHEJGUCHC-SNVBAGLBSA-N 0 1 384.479 2.628 20 0 GFADMN C[C@@H](NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccsc1 ZINC000669938627 565708449 /nfs/dbraw/zinc/70/84/49/565708449.db2.gz TUQFVBKEBVWCBC-RHSMWYFYSA-N 0 1 384.567 2.747 20 0 GFADMN CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cn1 ZINC000626828504 565712074 /nfs/dbraw/zinc/71/20/74/565712074.db2.gz QMYYBXUYUVKNBN-ZWNOBZJWSA-N 0 1 383.832 2.532 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@H](OC)CC1 ZINC000648512637 565717323 /nfs/dbraw/zinc/71/73/23/565717323.db2.gz XBKJAPILOOOZNF-CJNGLKHVSA-N 0 1 399.329 2.963 20 0 GFADMN CCCN(C(=O)NC[C@@H]1COCCN1)[C@H](C)c1ccccc1Br ZINC000627185040 565724997 /nfs/dbraw/zinc/72/49/97/565724997.db2.gz LMTGVKDTWIJWOG-ZIAGYGMSSA-N 0 1 384.318 2.920 20 0 GFADMN CCOC(=O)C[C@H](O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000600512491 565733913 /nfs/dbraw/zinc/73/39/13/565733913.db2.gz ZNBFQCHUKKWXFC-NSHDSACASA-N 0 1 386.271 2.640 20 0 GFADMN CCCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CCN(C)C1 ZINC000649000053 565744183 /nfs/dbraw/zinc/74/41/83/565744183.db2.gz NUHBMULNKKQFCI-CYBMUJFWSA-N 0 1 392.297 2.847 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000600779150 565749168 /nfs/dbraw/zinc/74/91/68/565749168.db2.gz VZPPGYVAYCRZLW-ZDUSSCGKSA-N 0 1 375.332 2.910 20 0 GFADMN COC(=O)C[C@@H](NC(=O)CN(C)C1CCC1)c1cccc(Br)c1 ZINC000600816811 565751266 /nfs/dbraw/zinc/75/12/66/565751266.db2.gz KZSUQSKSUPKOQJ-OAHLLOKOSA-N 0 1 383.286 2.654 20 0 GFADMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)n3cc(Br)cn3)n2)o1 ZINC000649214194 565754879 /nfs/dbraw/zinc/75/48/79/565754879.db2.gz MSMZWSUMROFVIG-MRVPVSSYSA-N 0 1 379.218 2.922 20 0 GFADMN O=C(CCN1CCN(c2cccc(Br)c2)CC1)Nc1cccnc1 ZINC000671253192 565759568 /nfs/dbraw/zinc/75/95/68/565759568.db2.gz PQNBJXWKDUOMBA-UHFFFAOYSA-N 0 1 389.297 2.995 20 0 GFADMN CN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000600964397 565761502 /nfs/dbraw/zinc/76/15/02/565761502.db2.gz HONYFDMWUPSHQK-HNNXBMFYSA-N 0 1 384.307 2.762 20 0 GFADMN Cc1nc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)sc1SCC(N)=O ZINC000649580580 565766856 /nfs/dbraw/zinc/76/68/56/565766856.db2.gz BHAYMBAVMMKHKX-BDAKNGLRSA-N 0 1 397.444 2.715 20 0 GFADMN O=C(CCc1cc(Br)ccc1F)N1CCC(N2CCOCC2)CC1 ZINC000628124319 565774367 /nfs/dbraw/zinc/77/43/67/565774367.db2.gz BLKGQHBENFACCN-UHFFFAOYSA-N 0 1 399.304 2.844 20 0 GFADMN CC(=O)NCCCCCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000649872160 565783551 /nfs/dbraw/zinc/78/35/51/565783551.db2.gz PSSBVTWKKPTDME-UHFFFAOYSA-N 0 1 394.273 2.869 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000628368713 565786362 /nfs/dbraw/zinc/78/63/62/565786362.db2.gz UOHRYTIYIXYXJP-QGZVFWFLSA-N 0 1 391.313 2.996 20 0 GFADMN O=C(NC[C@H]1CCCN1CC(F)F)c1n[nH]c2ccc(Br)cc21 ZINC000628621619 565797097 /nfs/dbraw/zinc/79/70/97/565797097.db2.gz FHOCIQHLQMYGIU-SNVBAGLBSA-N 0 1 387.228 2.785 20 0 GFADMN C[C@@H](O)CN1CCN(c2ccc(-c3ccc(Br)s3)nn2)[C@H](C)C1 ZINC000672254025 565800689 /nfs/dbraw/zinc/80/06/89/565800689.db2.gz SVYOKHJEHIZNFF-VXGBXAGGSA-N 0 1 397.342 2.859 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)CN1C ZINC000650155860 565801024 /nfs/dbraw/zinc/80/10/24/565801024.db2.gz HHGDEFFAPADMSN-QJPTWQEYSA-N 0 1 379.302 2.889 20 0 GFADMN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000650179811 565802894 /nfs/dbraw/zinc/80/28/94/565802894.db2.gz UWELNKFFVBLEAC-UHFFFAOYSA-N 0 1 381.475 2.524 20 0 GFADMN O=S(=O)(NC[C@H](O)CCc1ccccc1)c1c(Cl)ccc(F)c1F ZINC000672402410 565805884 /nfs/dbraw/zinc/80/58/84/565805884.db2.gz WGIMHEANIBROFS-GFCCVEGCSA-N 0 1 375.824 2.890 20 0 GFADMN O=S(=O)(Cc1cccc(Br)c1)NC[C@@H]1CCCCN1C1CC1 ZINC000672409678 565807574 /nfs/dbraw/zinc/80/75/74/565807574.db2.gz SPRGEXOSCXVYNI-INIZCTEOSA-N 0 1 387.343 2.885 20 0 GFADMN CCCC[C@@H](NC(N)=O)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968596 565817442 /nfs/dbraw/zinc/81/74/42/565817442.db2.gz KOPFPIFZEWJUDP-CABCVRRESA-N 0 1 389.327 2.939 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3nc(C(C)(C)C)n[nH]3)C2)cc1 ZINC000629113497 565824385 /nfs/dbraw/zinc/82/43/85/565824385.db2.gz OGGNETGTUKEQTC-ZDUSSCGKSA-N 0 1 380.539 2.966 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3n[nH]c(C(C)(C)C)n3)C2)cc1 ZINC000629113497 565824391 /nfs/dbraw/zinc/82/43/91/565824391.db2.gz OGGNETGTUKEQTC-ZDUSSCGKSA-N 0 1 380.539 2.966 20 0 GFADMN CN(C)c1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000673066633 565826398 /nfs/dbraw/zinc/82/63/98/565826398.db2.gz YOXJIQASZQVRAU-UHFFFAOYSA-N 0 1 381.885 2.992 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000673780735 565846331 /nfs/dbraw/zinc/84/63/31/565846331.db2.gz ANBUJKGXVWKEGI-UONOGXRCSA-N 0 1 379.810 2.915 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000629417582 565851051 /nfs/dbraw/zinc/85/10/51/565851051.db2.gz GVCPIBGUBIWCKD-UHFFFAOYSA-N 0 1 382.302 2.561 20 0 GFADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000629485322 565856588 /nfs/dbraw/zinc/85/65/88/565856588.db2.gz UGCGMEUZNDMQQC-JSGCOSHPSA-N 0 1 398.301 2.994 20 0 GFADMN C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@@H]1C(=O)[O-] ZINC000629492075 565856726 /nfs/dbraw/zinc/85/67/26/565856726.db2.gz ZNLOZQGZJWJRGW-DGFSRKRXSA-N 0 1 381.270 2.745 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651576312 565874895 /nfs/dbraw/zinc/87/48/95/565874895.db2.gz ARSPVSASWKTLGV-WDEREUQCSA-N 0 1 381.361 2.922 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000651576312 565874899 /nfs/dbraw/zinc/87/48/99/565874899.db2.gz ARSPVSASWKTLGV-WDEREUQCSA-N 0 1 381.361 2.922 20 0 GFADMN O[C@@H](CN1CCC(c2ccccc2Br)CC1)CC1(O)CCOCC1 ZINC000630038394 565880920 /nfs/dbraw/zinc/88/09/20/565880920.db2.gz BHGJBLADNVNDGN-MRXNPFEDSA-N 0 1 398.341 2.921 20 0 GFADMN COc1ccc(Br)c(S(=O)(=O)N(C)CCN2CCCCC2)c1 ZINC000651926304 565905063 /nfs/dbraw/zinc/90/50/63/565905063.db2.gz OSXOKOVHKDWHDA-UHFFFAOYSA-N 0 1 391.331 2.564 20 0 GFADMN Cn1nc(CNCCNC(=O)c2cccc(Br)c2)c2ccccc21 ZINC000603518323 565910419 /nfs/dbraw/zinc/91/04/19/565910419.db2.gz SHZLMKIEPIKZAB-UHFFFAOYSA-N 0 1 387.281 2.855 20 0 GFADMN CN1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000675925348 565921218 /nfs/dbraw/zinc/92/12/18/565921218.db2.gz OGQIFCOWZRSYOM-KRWDZBQOSA-N 0 1 380.330 2.578 20 0 GFADMN CCOc1cc(Br)c(NC(=O)CCc2c[nH]nn2)cc1OCC ZINC000630813835 565922032 /nfs/dbraw/zinc/92/20/32/565922032.db2.gz BVWRIYIYHDSNHK-UHFFFAOYSA-N 0 1 383.246 2.936 20 0 GFADMN CCOc1cc(Br)c(NC(=O)CCc2cnn[nH]2)cc1OCC ZINC000630813835 565922039 /nfs/dbraw/zinc/92/20/39/565922039.db2.gz BVWRIYIYHDSNHK-UHFFFAOYSA-N 0 1 383.246 2.936 20 0 GFADMN O=S(=O)([N-]c1ccnn1-c1cc[nH+]cc1)c1ccc(Br)cc1 ZINC000676028257 565924119 /nfs/dbraw/zinc/92/41/19/565924119.db2.gz LXWASBXTQMBFQZ-UHFFFAOYSA-N 0 1 379.239 2.831 20 0 GFADMN CCN1CCN(CC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000652515564 565932068 /nfs/dbraw/zinc/93/20/68/565932068.db2.gz GMOLHEPMYMTYHB-UHFFFAOYSA-N 0 1 380.330 2.582 20 0 GFADMN COC(=O)c1csc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000604534656 565932170 /nfs/dbraw/zinc/93/21/70/565932170.db2.gz WMWFRMGYKYGGQJ-UHFFFAOYSA-N 0 1 380.451 2.661 20 0 GFADMN CCc1noc(C[N@@H+]2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)n1 ZINC000652507195 565932678 /nfs/dbraw/zinc/93/26/78/565932678.db2.gz YBEVFKOQRFLABZ-QWHCGFSZSA-N 0 1 380.242 2.695 20 0 GFADMN Cn1cc(N2CCC[C@H](NCc3ncc(Br)cc3Cl)C2)cn1 ZINC000631080041 565938267 /nfs/dbraw/zinc/93/82/67/565938267.db2.gz VNAQIIOHCVPYBH-LBPRGKRZSA-N 0 1 384.709 2.990 20 0 GFADMN O=S(=O)(NCCNCc1ccc(C(F)F)nc1)c1ccc(Cl)s1 ZINC000631098514 565942011 /nfs/dbraw/zinc/94/20/11/565942011.db2.gz BJQGVEVGKCNUOT-UHFFFAOYSA-N 0 1 381.857 2.802 20 0 GFADMN COCCO[C@H]1COCC[C@H]1NCc1cc(OC)c(Br)cc1F ZINC000631115588 565943031 /nfs/dbraw/zinc/94/30/31/565943031.db2.gz WHRGCNYRTIXILZ-ZBFHGGJFSA-N 0 1 392.265 2.507 20 0 GFADMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631128824 565943208 /nfs/dbraw/zinc/94/32/08/565943208.db2.gz DNTSCUUGNWETPB-HNNXBMFYSA-N 0 1 384.860 2.912 20 0 GFADMN CC(C)n1ncnc1CNC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000631154061 565945342 /nfs/dbraw/zinc/94/53/42/565945342.db2.gz PEDUFYFRZSJHHT-ZDUSSCGKSA-N 0 1 385.281 2.701 20 0 GFADMN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cccc(Br)c1O ZINC000605181604 565947535 /nfs/dbraw/zinc/94/75/35/565947535.db2.gz SXMKVKTXOLRARO-CQSZACIVSA-N 0 1 393.237 2.669 20 0 GFADMN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1Cl ZINC000605174975 565947575 /nfs/dbraw/zinc/94/75/75/565947575.db2.gz WZXJJDPFNNEAFK-SMDDNHRTSA-N 0 1 387.311 2.693 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)c2cccc3c(Br)cccc23)C1 ZINC000631229312 565949605 /nfs/dbraw/zinc/94/96/05/565949605.db2.gz JRDJZAVHJRDQIL-ZDUSSCGKSA-N 0 1 376.298 2.578 20 0 GFADMN C[C@@H]1SCCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC000605335716 565950027 /nfs/dbraw/zinc/95/00/27/565950027.db2.gz QQEDUQKCFZPUPE-HOTGVXAUSA-N 0 1 381.973 2.810 20 0 GFADMN C[C@H](CNC(=O)c1oc2ccccc2c1Br)N1CCN(C)CC1 ZINC000631288787 565952648 /nfs/dbraw/zinc/95/26/48/565952648.db2.gz JWGUZNCGFGUELY-GFCCVEGCSA-N 0 1 380.286 2.561 20 0 GFADMN O=C(NCCN1CCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000676949295 565956275 /nfs/dbraw/zinc/95/62/75/565956275.db2.gz YAICHEWUBVILKB-AWEZNQCLSA-N 0 1 384.307 2.668 20 0 GFADMN O=C(CNC(=O)CN1CCC[C@H](C2CC2)C1)Nc1ccccc1Br ZINC000677029601 565958541 /nfs/dbraw/zinc/95/85/41/565958541.db2.gz PWFFXHVISORHPV-AWEZNQCLSA-N 0 1 394.313 2.626 20 0 GFADMN CCN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000677176255 565963055 /nfs/dbraw/zinc/96/30/55/565963055.db2.gz FDYJFTUDVSIUGR-GUYCJALGSA-N 0 1 396.329 2.569 20 0 GFADMN CCN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@@H]1C ZINC000677216152 565963993 /nfs/dbraw/zinc/96/39/93/565963993.db2.gz BPDVVJBOITWWDH-LBPRGKRZSA-N 0 1 379.913 2.837 20 0 GFADMN CCN1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)C[C@@H]1C ZINC000677192277 565964334 /nfs/dbraw/zinc/96/43/34/565964334.db2.gz SIWATFXVMPEGGW-JTQLQIEISA-N 0 1 376.245 2.692 20 0 GFADMN [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)C1 ZINC000653348511 565964983 /nfs/dbraw/zinc/96/49/83/565964983.db2.gz JHGGURFMKWRDMP-ZENOOKHLSA-N 0 1 383.286 2.513 20 0 GFADMN Brc1cccc2c1C[C@@H]1[C@H](N[C@@H](c3nnc[nH]3)c3cccnc3)[C@H]21 ZINC000631664850 565965944 /nfs/dbraw/zinc/96/59/44/565965944.db2.gz OASHIVHAKIBYEB-SVGFKBNWSA-N 0 1 382.265 2.980 20 0 GFADMN Cc1cc(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)n[nH]1 ZINC000606493078 565966242 /nfs/dbraw/zinc/96/62/42/565966242.db2.gz OGXFZXKQKXWQPX-ZDUSSCGKSA-N 0 1 392.301 2.806 20 0 GFADMN O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCC(c2nc[nH]n2)CC1 ZINC000631683180 565967662 /nfs/dbraw/zinc/96/76/62/565967662.db2.gz QKABIEAPEQPCRD-ARFHVFGLSA-N 0 1 387.281 2.859 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000631717404 565970112 /nfs/dbraw/zinc/97/01/12/565970112.db2.gz JNMGUIXDPLSEEO-HUBLWGQQSA-N 0 1 382.448 2.679 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCOC[C@@H]1C(F)(F)F ZINC000606856339 565971234 /nfs/dbraw/zinc/97/12/34/565971234.db2.gz RLHOHJREHCBUHL-SNVBAGLBSA-N 0 1 378.148 2.729 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCO[C@@H](C(F)(F)F)C1 ZINC000606861260 565972084 /nfs/dbraw/zinc/97/20/84/565972084.db2.gz GTQSICQRAPNOBR-SNVBAGLBSA-N 0 1 378.148 2.729 20 0 GFADMN C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000677421205 565973352 /nfs/dbraw/zinc/97/33/52/565973352.db2.gz NRMVKIYMHYQHKE-DTWKUNHWSA-N 0 1 384.242 2.821 20 0 GFADMN COc1cc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)sc1Br ZINC000677644544 565979309 /nfs/dbraw/zinc/97/93/09/565979309.db2.gz USURSCWYIKZFRF-LLVKDONJSA-N 0 1 394.254 2.552 20 0 GFADMN Cc1ccc(Br)c(NC(=O)NCC(C)(C)N2CCN(C)CC2)c1 ZINC000677779258 565982658 /nfs/dbraw/zinc/98/26/58/565982658.db2.gz FGFYFIXFAITAKB-UHFFFAOYSA-N 0 1 383.334 2.905 20 0 GFADMN COC[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000677892326 565986531 /nfs/dbraw/zinc/98/65/31/565986531.db2.gz AVSROKWGAGUVRE-LSDHHAIUSA-N 0 1 376.444 2.946 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000677964812 565989995 /nfs/dbraw/zinc/98/99/95/565989995.db2.gz GNRWKKCSSLSFFV-OLMNPRSZSA-N 0 1 395.341 2.685 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)Nc1ccc(F)c(Br)c1 ZINC000654012319 565991120 /nfs/dbraw/zinc/99/11/20/565991120.db2.gz WKBSTRYJWDQLTF-NSHDSACASA-N 0 1 384.209 2.880 20 0 GFADMN CN1CCC[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000608127270 566004389 /nfs/dbraw/zinc/00/43/89/566004389.db2.gz WYXLKXKNGJNPML-PBHICJAKSA-N 0 1 386.323 2.577 20 0 GFADMN C[C@H](CN(C)CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000678297412 566005672 /nfs/dbraw/zinc/00/56/72/566005672.db2.gz IXOCXLUCVPVABL-CYBMUJFWSA-N 0 1 375.332 2.520 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)NCCCc1c(Cl)cccc1Cl ZINC000654433219 566009706 /nfs/dbraw/zinc/00/97/06/566009706.db2.gz YUQSIFFMUIKNDB-CQSZACIVSA-N 0 1 387.355 2.861 20 0 GFADMN CO[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000654426617 566010077 /nfs/dbraw/zinc/01/00/77/566010077.db2.gz PSWNOAIWOWEITG-JKIFEVAISA-N 0 1 399.329 2.752 20 0 GFADMN Cc1nn(C)c(NC(=O)NCc2c[nH]nn2)c1-c1ccc(Br)cc1 ZINC000678543170 566012730 /nfs/dbraw/zinc/01/27/30/566012730.db2.gz VFWMWEMHSINFCX-UHFFFAOYSA-N 0 1 390.245 2.598 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)N1Cc2cccc(Br)c2C1 ZINC000654641260 566017527 /nfs/dbraw/zinc/01/75/27/566017527.db2.gz SPNKCTHJFNRBEU-ZDUSSCGKSA-N 0 1 392.257 2.644 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)N1CCc2ccc(Br)cc21 ZINC000654638274 566017573 /nfs/dbraw/zinc/01/75/73/566017573.db2.gz YJWONBRLPVAIGL-CYBMUJFWSA-N 0 1 392.257 2.691 20 0 GFADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cscc1Br ZINC000632331311 566023067 /nfs/dbraw/zinc/02/30/67/566023067.db2.gz JYIJXXLPBFXWER-WDEREUQCSA-N 0 1 379.345 2.758 20 0 GFADMN CO[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1Br ZINC000654874470 566027398 /nfs/dbraw/zinc/02/73/98/566027398.db2.gz BLXKUDVKQGYIHO-CQSZACIVSA-N 0 1 379.258 2.661 20 0 GFADMN CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C)C1 ZINC000632449856 566033530 /nfs/dbraw/zinc/03/35/30/566033530.db2.gz NIKYRTHGSZAJJL-LLVKDONJSA-N 0 1 391.896 2.542 20 0 GFADMN CCN1CCCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)[C@H](C)C1 ZINC000632449856 566033534 /nfs/dbraw/zinc/03/35/34/566033534.db2.gz NIKYRTHGSZAJJL-LLVKDONJSA-N 0 1 391.896 2.542 20 0 GFADMN COCCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Br)c1O ZINC000609316239 566035756 /nfs/dbraw/zinc/03/57/56/566035756.db2.gz IHNPPGUMFPGZQB-UHFFFAOYSA-N 0 1 388.258 2.585 20 0 GFADMN C[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000632480239 566037176 /nfs/dbraw/zinc/03/71/76/566037176.db2.gz PUQJZVUGFNMABW-YFKPBYRVSA-N 0 1 390.265 2.542 20 0 GFADMN NC(=O)c1ccc(CN[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)cn1 ZINC000679347736 566039161 /nfs/dbraw/zinc/03/91/61/566039161.db2.gz PZCUBUHAUZRFCO-IRXDYDNUSA-N 0 1 390.281 2.953 20 0 GFADMN Cc1cc(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c(C)cc1Br ZINC000655230744 566046785 /nfs/dbraw/zinc/04/67/85/566046785.db2.gz GIXNFQKVVSFFOA-CYBMUJFWSA-N 0 1 379.258 2.966 20 0 GFADMN Cc1cc(C)c(Br)c(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC000655242187 566048337 /nfs/dbraw/zinc/04/83/37/566048337.db2.gz MWWNMDCUMSMAAP-LBPRGKRZSA-N 0 1 379.258 2.966 20 0 GFADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299351 566050742 /nfs/dbraw/zinc/05/07/42/566050742.db2.gz NHUKGIRHQPWIMG-LSDHHAIUSA-N 0 1 377.897 2.663 20 0 GFADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298278 566051064 /nfs/dbraw/zinc/05/10/64/566051064.db2.gz CJPBYJRIKHVZEV-WDEREUQCSA-N 0 1 383.926 2.724 20 0 GFADMN CO[C@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccccc1Br ZINC000655398693 566056085 /nfs/dbraw/zinc/05/60/85/566056085.db2.gz CQFKJXUYMYTBMB-ZDUSSCGKSA-N 0 1 396.241 2.631 20 0 GFADMN COc1ccccc1[C@H](N)CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000655412401 566056575 /nfs/dbraw/zinc/05/65/75/566056575.db2.gz RMCSPYUIDLGXRB-WBVHZDCISA-N 0 1 393.281 2.961 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N(C)C1CCN(C)CC1 ZINC000655462501 566057378 /nfs/dbraw/zinc/05/73/78/566057378.db2.gz QMFPEUWYMGMCSW-UHFFFAOYSA-N 0 1 375.332 2.613 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000679923140 566057694 /nfs/dbraw/zinc/05/76/94/566057694.db2.gz DIAQVACFIQUVLX-UHFFFAOYSA-N 0 1 378.841 2.945 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000655498101 566060167 /nfs/dbraw/zinc/06/01/67/566060167.db2.gz MBLJKASNPQASMD-NSHDSACASA-N 0 1 375.332 2.660 20 0 GFADMN CCc1nc([C@H](C)NS(=O)(=O)Cc2cccc(Br)c2C)n[nH]1 ZINC000655545841 566066185 /nfs/dbraw/zinc/06/61/85/566066185.db2.gz MBSWVTKUSOGGCA-JTQLQIEISA-N 0 1 387.303 2.619 20 0 GFADMN Cc1[nH]ncc1C1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000632934731 566075349 /nfs/dbraw/zinc/07/53/49/566075349.db2.gz UXBDTDQEYHDJJI-UHFFFAOYSA-N 0 1 379.258 2.661 20 0 GFADMN CCc1cc(CNC(=O)c2n[nH]c3ccc(I)cc32)on1 ZINC000610294641 566076629 /nfs/dbraw/zinc/07/66/29/566076629.db2.gz WWQQCVIBVFVYHO-UHFFFAOYSA-N 0 1 396.188 2.648 20 0 GFADMN CCN(CC)CCS(=O)(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655661003 566078224 /nfs/dbraw/zinc/07/82/24/566078224.db2.gz SDFLAAJURKWEAT-UHFFFAOYSA-N 0 1 380.432 2.836 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000655769822 566088376 /nfs/dbraw/zinc/08/83/76/566088376.db2.gz PJMHKAXWWGMYEU-ZBEGNZNMSA-N 0 1 377.286 2.557 20 0 GFADMN OCCOC1(CNCc2oc3ccccc3c2Br)CCOCC1 ZINC000655769536 566088392 /nfs/dbraw/zinc/08/83/92/566088392.db2.gz JYKAVIIAJRQKQG-UHFFFAOYSA-N 0 1 384.270 2.843 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H](C)C(=O)NC(C)C ZINC000655781768 566089999 /nfs/dbraw/zinc/08/99/99/566089999.db2.gz QVUUJEURBJJMRK-ZDUSSCGKSA-N 0 1 379.302 2.946 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1scnc1C1CC1 ZINC000681126418 566093700 /nfs/dbraw/zinc/09/37/00/566093700.db2.gz UQNDVUJRBCRHSY-LBPRGKRZSA-N 0 1 378.820 2.846 20 0 GFADMN Cc1cccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1Br ZINC000681100474 566094169 /nfs/dbraw/zinc/09/41/69/566094169.db2.gz JZPUUWAKFWNLDZ-GJZGRUSLSA-N 0 1 382.302 2.820 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)c1c(F)cccc1I ZINC000610766200 566098354 /nfs/dbraw/zinc/09/83/54/566098354.db2.gz CXAZNQKLCYLQLZ-UHFFFAOYSA-N 0 1 387.196 2.824 20 0 GFADMN O=C([C@@H]1SCCc2sccc21)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633526718 566107701 /nfs/dbraw/zinc/10/77/01/566107701.db2.gz XHFYCQJPMDXKBU-OAHLLOKOSA-N 0 1 375.519 2.892 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)c1cccc(F)c1I ZINC000611001820 566109383 /nfs/dbraw/zinc/10/93/83/566109383.db2.gz QEVAALRJZRUJNU-UHFFFAOYSA-N 0 1 387.196 2.824 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccccc1F ZINC000611117118 566116485 /nfs/dbraw/zinc/11/64/85/566116485.db2.gz ULKUBWLRFSKAEX-HNNXBMFYSA-N 0 1 389.807 2.952 20 0 GFADMN Cc1cc(Br)cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000681615814 566119064 /nfs/dbraw/zinc/11/90/64/566119064.db2.gz BUEVQQZCBMELCQ-CVEARBPZSA-N 0 1 382.302 2.820 20 0 GFADMN CN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CN2CCC1CC2 ZINC000682000564 566137588 /nfs/dbraw/zinc/13/75/88/566137588.db2.gz FINLFZZMQBWVFW-HNNXBMFYSA-N 0 1 375.270 2.559 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000682083357 566143048 /nfs/dbraw/zinc/14/30/48/566143048.db2.gz PDFGVXNQPORZEL-HNNXBMFYSA-N 0 1 378.841 2.535 20 0 GFADMN Cc1cc(Br)cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1C ZINC000612016501 566149027 /nfs/dbraw/zinc/14/90/27/566149027.db2.gz YAKCYDVZDBSUMM-HNNXBMFYSA-N 0 1 381.314 2.860 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634236168 566150310 /nfs/dbraw/zinc/15/03/10/566150310.db2.gz SZSOWNSFMOGGCN-OIBJUYFYSA-N 0 1 392.175 2.568 20 0 GFADMN O=S(=O)(c1cnccc1C(F)(F)F)N1CCC[C@@H]1CN1CCCCC1 ZINC000682367905 566151868 /nfs/dbraw/zinc/15/18/68/566151868.db2.gz DKIMUURECUMHAD-CYBMUJFWSA-N 0 1 377.432 2.739 20 0 GFADMN CCc1cc(Br)ccc1-n1[nH]c(C)c([C@@H]2CCS(=O)(=O)C2)c1=O ZINC000634615074 566160891 /nfs/dbraw/zinc/16/08/91/566160891.db2.gz WQWSIUQMXSXPNS-DOMZBBRYSA-N 0 1 399.310 2.785 20 0 GFADMN Cc1[nH]n(Cc2c(Cl)cccc2Cl)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000634629913 566162080 /nfs/dbraw/zinc/16/20/80/566162080.db2.gz HDEISPPCYCBVOX-HZMBPMFUSA-N 0 1 375.277 2.762 20 0 GFADMN Cc1[nH]ncc1CCCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000656813221 566166621 /nfs/dbraw/zinc/16/66/21/566166621.db2.gz PSEVOPQKEGOOPW-AWEZNQCLSA-N 0 1 377.242 2.706 20 0 GFADMN O=S(=O)(NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1O ZINC000656866836 566170462 /nfs/dbraw/zinc/17/04/62/566170462.db2.gz FISNUGFKVQJWOQ-UHFFFAOYSA-N 0 1 375.368 2.950 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2(OC)CCC(F)(F)CC2)c1 ZINC000612754415 566174014 /nfs/dbraw/zinc/17/40/14/566174014.db2.gz LHAMTZHFLNFNLO-UHFFFAOYSA-N 0 1 377.409 2.719 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000635020612 566189973 /nfs/dbraw/zinc/18/99/73/566189973.db2.gz PKWBZZPJWQCISA-YVEFUNNKSA-N 0 1 399.285 2.508 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000635020612 566189979 /nfs/dbraw/zinc/18/99/79/566189979.db2.gz PKWBZZPJWQCISA-YVEFUNNKSA-N 0 1 399.285 2.508 20 0 GFADMN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCc2n[nH]nc21 ZINC000613305697 566193049 /nfs/dbraw/zinc/19/30/49/566193049.db2.gz UBISSXCPOWTPPF-ZYHUDNBSSA-N 0 1 380.279 2.927 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635112856 566194270 /nfs/dbraw/zinc/19/42/70/566194270.db2.gz RQHHXUQQKSEHKC-MRXNPFEDSA-N 0 1 394.313 2.829 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)NCCc1ccc(Br)s1 ZINC000635170548 566197674 /nfs/dbraw/zinc/19/76/74/566197674.db2.gz PYUSYVAMHMCKFN-UHFFFAOYSA-N 0 1 375.332 2.528 20 0 GFADMN CCN(C[C@H]1CCOC1)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000683474225 566201032 /nfs/dbraw/zinc/20/10/32/566201032.db2.gz YLAGLJOGWAWITL-LLVKDONJSA-N 0 1 379.254 2.789 20 0 GFADMN CO[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000683498707 566202131 /nfs/dbraw/zinc/20/21/31/566202131.db2.gz KCXKYRNENPGAAH-GFCCVEGCSA-N 0 1 379.254 2.932 20 0 GFADMN O=S(=O)(NCCc1cnc(SC2CCCC2)nc1)c1ccccc1O ZINC000656997277 566203599 /nfs/dbraw/zinc/20/35/99/566203599.db2.gz GAAYYFWCTOOQMH-UHFFFAOYSA-N 0 1 379.507 2.738 20 0 GFADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@H](O)CO[C@@H](C)COC ZINC000683676551 566209177 /nfs/dbraw/zinc/20/91/77/566209177.db2.gz DXWLIALZHYFZOW-IMJJTQAJSA-N 0 1 386.330 2.998 20 0 GFADMN Cc1ccc(C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)cc1Cl ZINC000683713663 566210147 /nfs/dbraw/zinc/21/01/47/566210147.db2.gz OXJOVHVCDIGVKP-UHFFFAOYSA-N 0 1 399.866 2.599 20 0 GFADMN CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000657034802 566210477 /nfs/dbraw/zinc/21/04/77/566210477.db2.gz OPVIRZZUJYDQAV-CQSZACIVSA-N 0 1 375.332 2.741 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000635703447 566222705 /nfs/dbraw/zinc/22/27/05/566222705.db2.gz LCGKZLSZMDFNIE-HZPDHXFCSA-N 0 1 389.297 2.620 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)cc1 ZINC000738433205 598959381 /nfs/dbraw/zinc/95/93/81/598959381.db2.gz RPYSEHCOJMKKHT-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)cc1 ZINC000738433205 598959382 /nfs/dbraw/zinc/95/93/82/598959382.db2.gz RPYSEHCOJMKKHT-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)cc1 ZINC000738433205 598959383 /nfs/dbraw/zinc/95/93/83/598959383.db2.gz RPYSEHCOJMKKHT-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)cc1 ZINC000738433205 598959384 /nfs/dbraw/zinc/95/93/84/598959384.db2.gz RPYSEHCOJMKKHT-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[nH]n2)nc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000736504963 599023445 /nfs/dbraw/zinc/02/34/45/599023445.db2.gz FGWAWAQUVHBUMX-CRAIPNDOSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000736504963 599023446 /nfs/dbraw/zinc/02/34/46/599023446.db2.gz FGWAWAQUVHBUMX-CRAIPNDOSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000736504963 599023447 /nfs/dbraw/zinc/02/34/47/599023447.db2.gz FGWAWAQUVHBUMX-CRAIPNDOSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000736504963 599023448 /nfs/dbraw/zinc/02/34/48/599023448.db2.gz FGWAWAQUVHBUMX-CRAIPNDOSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000736504963 599023449 /nfs/dbraw/zinc/02/34/49/599023449.db2.gz FGWAWAQUVHBUMX-CRAIPNDOSA-N 0 1 391.479 2.559 20 0 GFADMN C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000736289072 599040865 /nfs/dbraw/zinc/04/08/65/599040865.db2.gz CKKBZSPRTIXZAP-GHMZBOCLSA-N 0 1 399.421 2.580 20 0 GFADMN CN(Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736818770 599082700 /nfs/dbraw/zinc/08/27/00/599082700.db2.gz BBFPVVMTBPNAPP-GOSISDBHSA-N 0 1 380.427 2.633 20 0 GFADMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000736634122 599098177 /nfs/dbraw/zinc/09/81/77/599098177.db2.gz IBSDYRQIEKSPGM-UHFFFAOYSA-N 0 1 396.432 2.614 20 0 GFADMN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1c1ccccc1 ZINC000736289541 599146806 /nfs/dbraw/zinc/14/68/06/599146806.db2.gz DIDXRZJUBWEWAM-MDASCCDHSA-N 0 1 376.464 2.519 20 0 GFADMN C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289544 599146900 /nfs/dbraw/zinc/14/69/00/599146900.db2.gz DIDXRZJUBWEWAM-ZMYBRWDISA-N 0 1 376.464 2.519 20 0 GFADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295503 599226456 /nfs/dbraw/zinc/22/64/56/599226456.db2.gz VFMSDUOBUWILPE-WMZOPIPTSA-N 0 1 398.511 2.501 20 0 GFADMN CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735749522 599233938 /nfs/dbraw/zinc/23/39/38/599233938.db2.gz NCYBDHZGCHGWJU-QGZVFWFLSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735749522 599233942 /nfs/dbraw/zinc/23/39/42/599233942.db2.gz NCYBDHZGCHGWJU-QGZVFWFLSA-N 0 1 394.483 2.501 20 0 GFADMN O=C([O-])C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000262686015 597017923 /nfs/dbraw/zinc/01/79/23/597017923.db2.gz DLKXIYJHNTWOEH-SFHVURJKSA-N 0 1 384.398 2.764 20 0 GFADMN C[C@H](c1nn(CN(C)CC(=O)[O-])c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000739064701 597054721 /nfs/dbraw/zinc/05/47/21/597054721.db2.gz RIFYMAUBXWROSR-OAHLLOKOSA-N 0 1 389.525 2.924 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000532881286 597078368 /nfs/dbraw/zinc/07/83/68/597078368.db2.gz MHHASZANWHUXBE-SNVBAGLBSA-N 0 1 384.358 2.707 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000532881286 597078369 /nfs/dbraw/zinc/07/83/69/597078369.db2.gz MHHASZANWHUXBE-SNVBAGLBSA-N 0 1 384.358 2.707 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1 ZINC000532881286 597078371 /nfs/dbraw/zinc/07/83/71/597078371.db2.gz MHHASZANWHUXBE-SNVBAGLBSA-N 0 1 384.358 2.707 20 0 GFADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676233425 597083753 /nfs/dbraw/zinc/08/37/53/597083753.db2.gz PLZNPYNOGMIJBL-HZPDHXFCSA-N 0 1 389.496 2.682 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000737548224 599251949 /nfs/dbraw/zinc/25/19/49/599251949.db2.gz OPMDLGGHNZEDPU-OAHLLOKOSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000737548224 599251951 /nfs/dbraw/zinc/25/19/51/599251951.db2.gz OPMDLGGHNZEDPU-OAHLLOKOSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000737548224 599251953 /nfs/dbraw/zinc/25/19/53/599251953.db2.gz OPMDLGGHNZEDPU-OAHLLOKOSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000737548224 599251955 /nfs/dbraw/zinc/25/19/55/599251955.db2.gz OPMDLGGHNZEDPU-OAHLLOKOSA-N 0 1 397.483 2.505 20 0 GFADMN Cc1c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cccc1-c1nn[nH]n1 ZINC000822096026 607287616 /nfs/dbraw/zinc/28/76/16/607287616.db2.gz IQXOMNUOVJJRMP-INIZCTEOSA-N 0 1 381.440 2.727 20 0 GFADMN CC[NH+](CC)CCOc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1OC ZINC000821189471 607313936 /nfs/dbraw/zinc/31/39/36/607313936.db2.gz MNEOIYAGJRZZHS-UHFFFAOYSA-N 0 1 386.456 2.801 20 0 GFADMN CC[NH+](CC)CCOc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1OC ZINC000821189471 607313937 /nfs/dbraw/zinc/31/39/37/607313937.db2.gz MNEOIYAGJRZZHS-UHFFFAOYSA-N 0 1 386.456 2.801 20 0 GFADMN CC(C)Oc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000735915269 598354309 /nfs/dbraw/zinc/35/43/09/598354309.db2.gz OAXISPVTAHZRDW-UHFFFAOYSA-N 0 1 378.480 2.976 20 0 GFADMN CC(C)Oc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000735915220 598354558 /nfs/dbraw/zinc/35/45/58/598354558.db2.gz MHUDEFAUSFVEDV-UHFFFAOYSA-N 0 1 392.507 2.972 20 0 GFADMN Cc1ccc2oc(N3CCN(Cc4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000737381162 598364633 /nfs/dbraw/zinc/36/46/33/598364633.db2.gz VYCSQVDYCSJQNX-UHFFFAOYSA-N 0 1 375.436 2.639 20 0 GFADMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077757 598431387 /nfs/dbraw/zinc/43/13/87/598431387.db2.gz XTJRPIRDWQPQKC-KBPBESRZSA-N 0 1 380.452 2.862 20 0 GFADMN CCc1ccc(-c2noc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)n2)cc1 ZINC000736677392 598503440 /nfs/dbraw/zinc/50/34/40/598503440.db2.gz JHSXJKOWHRJNNL-UHFFFAOYSA-N 0 1 399.414 2.842 20 0 GFADMN Clc1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC000737573044 598573502 /nfs/dbraw/zinc/57/35/02/598573502.db2.gz DSJHOYHBPUKYBZ-UHFFFAOYSA-N 0 1 398.902 2.539 20 0 GFADMN COc1ccccc1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000737137107 598721369 /nfs/dbraw/zinc/72/13/69/598721369.db2.gz DHKIODZLJWYDJP-UHFFFAOYSA-N 0 1 395.806 2.727 20 0 GFADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174705141 599319846 /nfs/dbraw/zinc/31/98/46/599319846.db2.gz LKHGYKSENVHEBV-IBGZPJMESA-N 0 1 376.464 2.538 20 0 GFADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844414 599390451 /nfs/dbraw/zinc/39/04/51/599390451.db2.gz HLHAFCBJVWWBKX-CHWSQXEVSA-N 0 1 378.436 2.747 20 0 GFADMN COc1ccc(CNCC(=O)Nc2c(C)cc(C)cc2C)cc1-c1nn[nH]n1 ZINC000821810165 599392630 /nfs/dbraw/zinc/39/26/30/599392630.db2.gz XDWDQHNBRLLFKE-UHFFFAOYSA-N 0 1 380.452 2.529 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1-c1nn[nH]n1 ZINC000821969995 599437368 /nfs/dbraw/zinc/43/73/68/599437368.db2.gz IKBUKLZOOFIDQO-CYBMUJFWSA-N 0 1 399.480 2.520 20 0 GFADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000737636912 599439543 /nfs/dbraw/zinc/43/95/43/599439543.db2.gz VTMWFSQRLLYASN-AWEZNQCLSA-N 0 1 389.385 2.967 20 0 GFADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000737636912 599439548 /nfs/dbraw/zinc/43/95/48/599439548.db2.gz VTMWFSQRLLYASN-AWEZNQCLSA-N 0 1 389.385 2.967 20 0 GFADMN FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000737636916 599439808 /nfs/dbraw/zinc/43/98/08/599439808.db2.gz VTMWFSQRLLYASN-CQSZACIVSA-N 0 1 389.385 2.967 20 0 GFADMN FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000737636916 599439810 /nfs/dbraw/zinc/43/98/10/599439810.db2.gz VTMWFSQRLLYASN-CQSZACIVSA-N 0 1 389.385 2.967 20 0 GFADMN FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)c1 ZINC000822718177 599440617 /nfs/dbraw/zinc/44/06/17/599440617.db2.gz BQCDVAIWLFGRBZ-NSHDSACASA-N 0 1 394.357 2.727 20 0 GFADMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238721 599478355 /nfs/dbraw/zinc/47/83/55/599478355.db2.gz ZQPBSLWFNRZEEV-CZUORRHYSA-N 0 1 380.427 2.822 20 0 GFADMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737875810 599478935 /nfs/dbraw/zinc/47/89/35/599478935.db2.gz MWGOKTVTDMSIAV-ZDUSSCGKSA-N 0 1 386.456 2.570 20 0 GFADMN C[C@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](c2ccccc2)CO1 ZINC000820753562 599645366 /nfs/dbraw/zinc/64/53/66/599645366.db2.gz ZHAPSJBQWQYBAE-HNAYVOBHSA-N 0 1 392.463 2.657 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737439488 599712097 /nfs/dbraw/zinc/71/20/97/599712097.db2.gz RPOYPNMKAPJJSL-SFHVURJKSA-N 0 1 395.452 2.756 20 0 GFADMN 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QJKBWFHVMDRKMF-HXUWFJFHSA-N 0 1 397.450 2.593 20 0 GFADMN C[N@@H+](CCc1ccccc1F)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737447218 600080613 /nfs/dbraw/zinc/08/06/13/600080613.db2.gz QJKBWFHVMDRKMF-HXUWFJFHSA-N 0 1 397.450 2.593 20 0 GFADMN COC(=O)c1occc1C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000737714511 600080647 /nfs/dbraw/zinc/08/06/47/600080647.db2.gz RZOYSOXDKJQDKO-INIZCTEOSA-N 0 1 382.210 2.918 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000739277812 600128890 /nfs/dbraw/zinc/12/88/90/600128890.db2.gz HEOKOYOVUSXXRD-CYBMUJFWSA-N 0 1 387.461 2.736 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000567279985 600144921 /nfs/dbraw/zinc/14/49/21/600144921.db2.gz JAQAEQOGBBBCJP-UYAOXDASSA-N 0 1 385.460 2.977 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000567279985 600144924 /nfs/dbraw/zinc/14/49/24/600144924.db2.gz JAQAEQOGBBBCJP-UYAOXDASSA-N 0 1 385.460 2.977 20 0 GFADMN CCCc1c(C(=O)N2CC[N@H+](CCOCC)[C@@H](CC)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041333 600257974 /nfs/dbraw/zinc/25/79/74/600257974.db2.gz LQPQKJBXWJEDDV-HNNXBMFYSA-N 0 1 379.501 2.547 20 0 GFADMN CCCc1c(C(=O)N2CC[N@@H+](CCOCC)[C@@H](CC)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041333 600257976 /nfs/dbraw/zinc/25/79/76/600257976.db2.gz LQPQKJBXWJEDDV-HNNXBMFYSA-N 0 1 379.501 2.547 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736916534 600304412 /nfs/dbraw/zinc/30/44/12/600304412.db2.gz JNTCVDYOROGBGV-QFIPXVFZSA-N 0 1 397.475 2.743 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000248909265 600310703 /nfs/dbraw/zinc/31/07/03/600310703.db2.gz ZXCDHECRFFZNDR-JKSUJKDBSA-N 0 1 380.510 2.660 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000737687188 600325391 /nfs/dbraw/zinc/32/53/91/600325391.db2.gz RXZGFTWXLBMBCY-OCCSQVGLSA-N 0 1 386.404 2.581 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738217305 600377338 /nfs/dbraw/zinc/37/73/38/600377338.db2.gz XGBFAIJEJNSXGV-QGZVFWFLSA-N 0 1 381.476 2.554 20 0 GFADMN CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736923472 600392767 /nfs/dbraw/zinc/39/27/67/600392767.db2.gz GMOYTMDDCPULOA-UONOGXRCSA-N 0 1 380.510 2.889 20 0 GFADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736923472 600392770 /nfs/dbraw/zinc/39/27/70/600392770.db2.gz GMOYTMDDCPULOA-UONOGXRCSA-N 0 1 380.510 2.889 20 0 GFADMN CS(=O)(=O)c1cccc(OCC[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000577184123 600431398 /nfs/dbraw/zinc/43/13/98/600431398.db2.gz KDOBJNTXQHDWTR-UHFFFAOYSA-N 0 1 397.880 2.709 20 0 GFADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000737505551 600447873 /nfs/dbraw/zinc/44/78/73/600447873.db2.gz NNLQMGYBTURBMZ-APWZRJJASA-N 0 1 395.463 2.672 20 0 GFADMN 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ZINC000833297839 600692869 /nfs/dbraw/zinc/69/28/69/600692869.db2.gz WMCYTZSGEFKYCQ-MRXNPFEDSA-N 0 1 394.880 2.591 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000285094158 600697929 /nfs/dbraw/zinc/69/79/29/600697929.db2.gz OCMBZZVFKCQWCK-UHFFFAOYSA-N 0 1 388.489 2.590 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000285094158 600697930 /nfs/dbraw/zinc/69/79/30/600697930.db2.gz OCMBZZVFKCQWCK-UHFFFAOYSA-N 0 1 388.489 2.590 20 0 GFADMN Cc1cn(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000832985572 600720408 /nfs/dbraw/zinc/72/04/08/600720408.db2.gz UONIBJZBVZBYID-UHFFFAOYSA-N 0 1 393.871 2.514 20 0 GFADMN O=C([O-])CC[N@H+](Cn1nc2sc3ccccc3n2c1=S)C1CCOCC1 ZINC000833236744 600720973 /nfs/dbraw/zinc/72/09/73/600720973.db2.gz ZCANLJMKUHKFHX-UHFFFAOYSA-N 0 1 392.506 2.993 20 0 GFADMN O=C([O-])CC[N@@H+](Cn1nc2sc3ccccc3n2c1=S)C1CCOCC1 ZINC000833236744 600720975 /nfs/dbraw/zinc/72/09/75/600720975.db2.gz ZCANLJMKUHKFHX-UHFFFAOYSA-N 0 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RTJYDRSHNZLLDN-OAHLLOKOSA-N 0 1 392.502 2.989 20 0 GFADMN CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000830149647 601041180 /nfs/dbraw/zinc/04/11/80/601041180.db2.gz KBWBNEIEYCUOFM-CVEARBPZSA-N 0 1 394.493 2.716 20 0 GFADMN O=C([O-])CC[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CCOCC1 ZINC000516569467 601048362 /nfs/dbraw/zinc/04/83/62/601048362.db2.gz PBACZBVSNOJDGU-UHFFFAOYSA-N 0 1 387.455 2.956 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000828257846 601056220 /nfs/dbraw/zinc/05/62/20/601056220.db2.gz LCYSGMHFMDHEIX-OAHLLOKOSA-N 0 1 385.468 2.664 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000736808062 601083731 /nfs/dbraw/zinc/08/37/31/601083731.db2.gz IIHCRTGYKBTVLY-CBGDNZLLSA-N 0 1 396.487 2.894 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000829118108 601084354 /nfs/dbraw/zinc/08/43/54/601084354.db2.gz CTZJSWXGJLTLQO-CQSZACIVSA-N 0 1 379.457 2.788 20 0 GFADMN 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GFADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000521257294 601621204 /nfs/dbraw/zinc/62/12/04/601621204.db2.gz HZZYCFGELFTLEO-UHFFFAOYSA-N 0 1 394.518 2.651 20 0 GFADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)CCC2CC2)c1-c1nn[nH]n1 ZINC000826233484 607523709 /nfs/dbraw/zinc/52/37/09/607523709.db2.gz JELPPHPMNGSQMF-UHFFFAOYSA-N 0 1 397.483 2.597 20 0 GFADMN CC(C)CCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000826855117 601732569 /nfs/dbraw/zinc/73/25/69/601732569.db2.gz CFZBQJSPRGUFKD-UTKZUKDTSA-N 0 1 376.497 2.673 20 0 GFADMN Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000832862450 601734100 /nfs/dbraw/zinc/73/41/00/601734100.db2.gz ABCXHAIUABIVKE-QFIPXVFZSA-N 0 1 398.507 2.796 20 0 GFADMN CN(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000830636245 601740037 /nfs/dbraw/zinc/74/00/37/601740037.db2.gz WFZLLTIIOIGHJY-QFIPXVFZSA-N 0 1 381.476 2.602 20 0 GFADMN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000832169928 601740111 /nfs/dbraw/zinc/74/01/11/601740111.db2.gz YSTZTFXOCOLRHR-JOCHJYFZSA-N 0 1 398.459 2.553 20 0 GFADMN COc1cccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000832518532 601740188 /nfs/dbraw/zinc/74/01/88/601740188.db2.gz JIPQWZBKXGNEBY-JOCHJYFZSA-N 0 1 398.459 2.553 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000826183274 607526578 /nfs/dbraw/zinc/52/65/78/607526578.db2.gz JYRJSDLQUMLKGM-INIZCTEOSA-N 0 1 379.420 2.941 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000833009022 601800218 /nfs/dbraw/zinc/80/02/18/601800218.db2.gz IMTIUWRILHAGNX-CQSZACIVSA-N 0 1 399.472 2.847 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832991312 601814661 /nfs/dbraw/zinc/81/46/61/601814661.db2.gz TWMYSYFGLMDRGG-YGRLFVJLSA-N 0 1 379.258 2.626 20 0 GFADMN O=C([O-])CCC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000659774084 601818969 /nfs/dbraw/zinc/81/89/69/601818969.db2.gz GQJJXTKULUOZDI-LJQANCHMSA-N 0 1 376.522 2.880 20 0 GFADMN C[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+]1CCc2sccc2C1 ZINC000659394105 601824713 /nfs/dbraw/zinc/82/47/13/601824713.db2.gz NPSAJFMDYQASKX-AWEZNQCLSA-N 0 1 379.526 2.781 20 0 GFADMN C[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1CCc2sccc2C1 ZINC000659394105 601824716 /nfs/dbraw/zinc/82/47/16/601824716.db2.gz NPSAJFMDYQASKX-AWEZNQCLSA-N 0 1 379.526 2.781 20 0 GFADMN C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000830966071 601828821 /nfs/dbraw/zinc/82/88/21/601828821.db2.gz XEVBCNZMKODMOS-UHFFFAOYSA-N 0 1 380.853 2.827 20 0 GFADMN C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000830966071 601828822 /nfs/dbraw/zinc/82/88/22/601828822.db2.gz XEVBCNZMKODMOS-UHFFFAOYSA-N 0 1 380.853 2.827 20 0 GFADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCc3cccc(C(=O)[O-])c3)c2)CCO1 ZINC000666522933 601859294 /nfs/dbraw/zinc/85/92/94/601859294.db2.gz MUUBKVBGYCKQEF-INIZCTEOSA-N 0 1 397.475 2.605 20 0 GFADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCc3cccc(C(=O)[O-])c3)c2)CCO1 ZINC000666522933 601859299 /nfs/dbraw/zinc/85/92/99/601859299.db2.gz MUUBKVBGYCKQEF-INIZCTEOSA-N 0 1 397.475 2.605 20 0 GFADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827928533 601890087 /nfs/dbraw/zinc/89/00/87/601890087.db2.gz ILQMLVSTVJAAMX-HIFRSBDPSA-N 0 1 376.478 2.844 20 0 GFADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827928533 601890092 /nfs/dbraw/zinc/89/00/92/601890092.db2.gz ILQMLVSTVJAAMX-HIFRSBDPSA-N 0 1 376.478 2.844 20 0 GFADMN C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727182 601901350 /nfs/dbraw/zinc/90/13/50/601901350.db2.gz LYAUKIRGZAACSN-KRWDZBQOSA-N 0 1 399.344 2.912 20 0 GFADMN C[N@@H+](CCn1cnc2ccccc2c1=O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800582 601903132 /nfs/dbraw/zinc/90/31/32/601903132.db2.gz KTJOAYSWEVTRFJ-KRWDZBQOSA-N 0 1 391.349 2.572 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1-c1nn[nH]n1 ZINC000826303988 607533360 /nfs/dbraw/zinc/53/33/60/607533360.db2.gz PYCVQYYBTZOALX-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000740644486 601955966 /nfs/dbraw/zinc/95/59/66/601955966.db2.gz YLUSHMMVMPUZDM-ICSRJNTNSA-N 0 1 381.476 2.676 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119571 601956313 /nfs/dbraw/zinc/95/63/13/601956313.db2.gz XGLPEZRNVYNMDT-BEFAXECRSA-N 0 1 387.505 2.852 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119571 601956318 /nfs/dbraw/zinc/95/63/18/601956318.db2.gz XGLPEZRNVYNMDT-BEFAXECRSA-N 0 1 387.505 2.852 20 0 GFADMN CCO[C@H]1C[C@H]([N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918298 601958525 /nfs/dbraw/zinc/95/85/25/601958525.db2.gz NKZXMANCGHFQSR-RYUDHWBXSA-N 0 1 386.290 2.889 20 0 GFADMN CCO[C@H]1C[C@H]([N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)C12CCC2 ZINC000829918298 601958529 /nfs/dbraw/zinc/95/85/29/601958529.db2.gz NKZXMANCGHFQSR-RYUDHWBXSA-N 0 1 386.290 2.889 20 0 GFADMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738614979 601959142 /nfs/dbraw/zinc/95/91/42/601959142.db2.gz DFWRNXKNPSCRTB-DLBZAZTESA-N 0 1 381.476 2.870 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738834151 602013073 /nfs/dbraw/zinc/01/30/73/602013073.db2.gz IZARZQVBLOTAHW-MRXNPFEDSA-N 0 1 376.501 2.716 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)c1ccccc1Cl ZINC000739605948 602063201 /nfs/dbraw/zinc/06/32/01/602063201.db2.gz DISGFYCCPMWIQM-CJNGLKHVSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738984511 602133887 /nfs/dbraw/zinc/13/38/87/602133887.db2.gz WOLNNEJNAGHQKL-OGWHTMIXSA-N 0 1 388.512 2.900 20 0 GFADMN C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000738954027 602260709 /nfs/dbraw/zinc/26/07/09/602260709.db2.gz YSUOTXRRSWKARO-IGCXYCKISA-N 0 1 383.439 2.523 20 0 GFADMN C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000738954027 602260710 /nfs/dbraw/zinc/26/07/10/602260710.db2.gz YSUOTXRRSWKARO-IGCXYCKISA-N 0 1 383.439 2.523 20 0 GFADMN O=C([O-])c1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000833146538 602379177 /nfs/dbraw/zinc/37/91/77/602379177.db2.gz NKAUVOFPQNBFSC-UHFFFAOYSA-N 0 1 387.411 2.678 20 0 GFADMN CN(CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1)C(=O)[O-] ZINC000739659494 602387775 /nfs/dbraw/zinc/38/77/75/602387775.db2.gz CZCLOHYHUVTILJ-UHFFFAOYSA-N 0 1 384.274 2.709 20 0 GFADMN O=C([O-])N1CCC(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CC1 ZINC000740502974 602415078 /nfs/dbraw/zinc/41/50/78/602415078.db2.gz WWLWODBYQOKYEQ-UHFFFAOYSA-N 0 1 386.452 2.501 20 0 GFADMN CC(C)N(CCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000738920519 602416150 /nfs/dbraw/zinc/41/61/50/602416150.db2.gz OCBVTRWDAXUGBW-CQSZACIVSA-N 0 1 382.530 2.572 20 0 GFADMN CC(C)N(CCCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000738920519 602416151 /nfs/dbraw/zinc/41/61/51/602416151.db2.gz OCBVTRWDAXUGBW-CQSZACIVSA-N 0 1 382.530 2.572 20 0 GFADMN C[C@@](CNC(=O)[O-])(NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000738921170 602438952 /nfs/dbraw/zinc/43/89/52/602438952.db2.gz SEHNLAVPVPGOGD-YWZLYKJASA-N 0 1 377.460 2.590 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000739028092 602445406 /nfs/dbraw/zinc/44/54/06/602445406.db2.gz PVNGKOIPRCDBSG-VXGBXAGGSA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H](c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739060663 602497495 /nfs/dbraw/zinc/49/74/95/602497495.db2.gz ZCFCKKZJLLNMSL-MXWWQKGMSA-N 0 1 375.469 2.845 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565910 602529476 /nfs/dbraw/zinc/52/94/76/602529476.db2.gz KVVUBPPBZNWNJN-NSHDSACASA-N 0 1 384.274 2.850 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1)C(=O)[O-] ZINC000739661658 602533196 /nfs/dbraw/zinc/53/31/96/602533196.db2.gz SHMPKQAHQCRHCM-NWDGAFQWSA-N 0 1 377.268 2.665 20 0 GFADMN CN(C[C@H]1CC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1)C(=O)[O-] ZINC000739660163 602534607 /nfs/dbraw/zinc/53/46/07/602534607.db2.gz LHTQONSYWQJMON-QUCCMNQESA-N 0 1 381.476 2.976 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1)C(=O)[O-] ZINC000739664317 602537801 /nfs/dbraw/zinc/53/78/01/602537801.db2.gz DSKWQDJSLSYFMG-LLVKDONJSA-N 0 1 395.257 2.931 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1)C(=O)[O-] ZINC000739664317 602537803 /nfs/dbraw/zinc/53/78/03/602537803.db2.gz DSKWQDJSLSYFMG-LLVKDONJSA-N 0 1 395.257 2.931 20 0 GFADMN CN(C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)C(=O)[O-] ZINC000739658749 602541708 /nfs/dbraw/zinc/54/17/08/602541708.db2.gz BFEIEEJTYBXNBR-YPMHNXCESA-N 0 1 377.268 2.665 20 0 GFADMN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000739105196 602615247 /nfs/dbraw/zinc/61/52/47/602615247.db2.gz NNSXVYHORURILO-JKSUJKDBSA-N 0 1 376.501 2.859 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738985734 602626597 /nfs/dbraw/zinc/62/65/97/602626597.db2.gz ZLWDLGIPIRRVKT-SOLBZPMBSA-N 0 1 376.501 2.585 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)CC3CCN(C(=O)[O-])CC3)CCCCC2)CCO1 ZINC000739064613 602677462 /nfs/dbraw/zinc/67/74/62/602677462.db2.gz TUMGARWXJAWOQU-UHFFFAOYSA-N 0 1 395.544 2.696 20 0 GFADMN CC[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000739258202 602697841 /nfs/dbraw/zinc/69/78/41/602697841.db2.gz PANSIODYWFDLDZ-QFBILLFUSA-N 0 1 388.512 2.513 20 0 GFADMN Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000740237995 602700389 /nfs/dbraw/zinc/70/03/89/602700389.db2.gz AFIJPRGMBDJBNU-QGZVFWFLSA-N 0 1 385.468 2.785 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739725781 602730253 /nfs/dbraw/zinc/73/02/53/602730253.db2.gz FTMWYZYEEYKQNR-RTBURBONSA-N 0 1 385.508 2.783 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174014 602761370 /nfs/dbraw/zinc/76/13/70/602761370.db2.gz HBSWCDNHXQHAMP-MCIONIFRSA-N 0 1 390.509 2.621 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174014 602761373 /nfs/dbraw/zinc/76/13/73/602761373.db2.gz HBSWCDNHXQHAMP-MCIONIFRSA-N 0 1 390.509 2.621 20 0 GFADMN COc1cc(Br)c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739852252 602793228 /nfs/dbraw/zinc/79/32/28/602793228.db2.gz NDOMHQGZSSNSBV-ZWNOBZJWSA-N 0 1 387.274 2.944 20 0 GFADMN COc1cc(Br)c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739852252 602793230 /nfs/dbraw/zinc/79/32/30/602793230.db2.gz NDOMHQGZSSNSBV-ZWNOBZJWSA-N 0 1 387.274 2.944 20 0 GFADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000740185515 602845026 /nfs/dbraw/zinc/84/50/26/602845026.db2.gz UKKMXLLZHDJHAE-GOSISDBHSA-N 0 1 376.501 2.505 20 0 GFADMN C[C@H]1C[C@@H](N(C)C(=O)NCCCN(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739086485 602905125 /nfs/dbraw/zinc/90/51/25/602905125.db2.gz VRVAEFHLSQHKFS-WMZOPIPTSA-N 0 1 376.501 2.681 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739273717 602906447 /nfs/dbraw/zinc/90/64/47/602906447.db2.gz VKPQNHGVDKDPNE-QZTJIDSGSA-N 0 1 380.533 2.815 20 0 GFADMN COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1NC(=O)[O-] ZINC000739866709 602993070 /nfs/dbraw/zinc/99/30/70/602993070.db2.gz RMPVKGJZQPKEJE-SFHVURJKSA-N 0 1 385.420 2.625 20 0 GFADMN COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1NC(=O)[O-] ZINC000739866709 602993073 /nfs/dbraw/zinc/99/30/73/602993073.db2.gz RMPVKGJZQPKEJE-SFHVURJKSA-N 0 1 385.420 2.625 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739055091 603030713 /nfs/dbraw/zinc/03/07/13/603030713.db2.gz CRULTVDSBRTAHR-CRAIPNDOSA-N 0 1 390.484 2.686 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739055138 603031150 /nfs/dbraw/zinc/03/11/50/603031150.db2.gz DXXJSLRPZWANFN-HOTGVXAUSA-N 0 1 390.484 2.591 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000739170625 603034692 /nfs/dbraw/zinc/03/46/92/603034692.db2.gz AXNVIUCNCCZFJX-TXEJJXNPSA-N 0 1 382.436 2.925 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000739170625 603034696 /nfs/dbraw/zinc/03/46/96/603034696.db2.gz AXNVIUCNCCZFJX-TXEJJXNPSA-N 0 1 382.436 2.925 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000828382668 603066146 /nfs/dbraw/zinc/06/61/46/603066146.db2.gz JVGNCJIXIFUWDT-VQTJNVASSA-N 0 1 381.476 2.771 20 0 GFADMN CCCN(C(=O)CCCN(C)C(=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000737010096 603118984 /nfs/dbraw/zinc/11/89/84/603118984.db2.gz XHZHKGBRWFZLHL-UHFFFAOYSA-N 0 1 391.516 2.691 20 0 GFADMN CCC[C@@H](NC(=O)[O-])C(=O)N(CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000739307318 603119057 /nfs/dbraw/zinc/11/90/57/603119057.db2.gz QKVIUGKSDSQVHW-QGZVFWFLSA-N 0 1 391.516 2.737 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000739056361 603170902 /nfs/dbraw/zinc/17/09/02/603170902.db2.gz DQNZEOJXWWOWRB-JXFKEZNVSA-N 0 1 393.487 2.743 20 0 GFADMN C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826042629 603266072 /nfs/dbraw/zinc/26/60/72/603266072.db2.gz QOUYURFVLHXIPI-KYHPRHEASA-N 0 1 391.512 2.635 20 0 GFADMN C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826042629 603266073 /nfs/dbraw/zinc/26/60/73/603266073.db2.gz QOUYURFVLHXIPI-KYHPRHEASA-N 0 1 391.512 2.635 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000740700143 603291343 /nfs/dbraw/zinc/29/13/43/603291343.db2.gz QUDRFZCPBQGYHJ-CQSZACIVSA-N 0 1 381.860 2.757 20 0 GFADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000828272385 603307065 /nfs/dbraw/zinc/30/70/65/603307065.db2.gz AUPPUOAQATXQSE-INIZCTEOSA-N 0 1 378.473 2.671 20 0 GFADMN CN(Cc1ccccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000739718306 603336567 /nfs/dbraw/zinc/33/65/67/603336567.db2.gz PLUFEXORJPSOOY-UHFFFAOYSA-N 0 1 382.464 2.976 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739275061 603379213 /nfs/dbraw/zinc/37/92/13/603379213.db2.gz ZFACQGZPLLAVRB-KZNAEPCWSA-N 0 1 380.533 2.815 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@H](C)C1 ZINC000739491966 603400146 /nfs/dbraw/zinc/40/01/46/603400146.db2.gz KGWBXEWCKSKMLD-CZUORRHYSA-N 0 1 381.448 2.782 20 0 GFADMN CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000823924302 603457599 /nfs/dbraw/zinc/45/75/99/603457599.db2.gz MPJBFHMDFLKEKR-UHFFFAOYSA-N 0 1 382.892 2.604 20 0 GFADMN CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)NC(=O)[O-] ZINC000823924302 603457602 /nfs/dbraw/zinc/45/76/02/603457602.db2.gz MPJBFHMDFLKEKR-UHFFFAOYSA-N 0 1 382.892 2.604 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)N2CCC(N(C)C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794340 603486167 /nfs/dbraw/zinc/48/61/67/603486167.db2.gz JFIYMHWRHGGWKF-WMZOPIPTSA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825793859 603486192 /nfs/dbraw/zinc/48/61/92/603486192.db2.gz BRSZNHNTRVACNJ-NZSAHSFTSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794555 603486679 /nfs/dbraw/zinc/48/66/79/603486679.db2.gz MMHXNBBSKOOOEW-QRQLOZEOSA-N 0 1 388.512 2.729 20 0 GFADMN COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000829569641 603554385 /nfs/dbraw/zinc/55/43/85/603554385.db2.gz FLMFVBKYICQPNO-YJBOKZPZSA-N 0 1 375.469 2.878 20 0 GFADMN CC(C)CN1Cc2cccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000824261260 607638320 /nfs/dbraw/zinc/63/83/20/607638320.db2.gz GRJKRXJGTYWCOD-UHFFFAOYSA-N 0 1 391.479 2.889 20 0 GFADMN O=C([O-])NCC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000832438212 603649131 /nfs/dbraw/zinc/64/91/31/603649131.db2.gz JEAOZUWIZJNQGD-HNNXBMFYSA-N 0 1 379.526 2.904 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830085979 603731522 /nfs/dbraw/zinc/73/15/22/603731522.db2.gz WBKNGXLFYKKZFD-DNVCBOLYSA-N 0 1 388.512 2.902 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830085979 603731525 /nfs/dbraw/zinc/73/15/25/603731525.db2.gz WBKNGXLFYKKZFD-DNVCBOLYSA-N 0 1 388.512 2.902 20 0 GFADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000828170075 603879867 /nfs/dbraw/zinc/87/98/67/603879867.db2.gz RFRDHMVOVUNBGQ-QGZVFWFLSA-N 0 1 388.512 2.607 20 0 GFADMN CN(C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000827794455 603897371 /nfs/dbraw/zinc/89/73/71/603897371.db2.gz OIDJEFAXERLPSB-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825790171 603903962 /nfs/dbraw/zinc/90/39/62/603903962.db2.gz UAMFLFGLQJRRCR-WRWLIDTKSA-N 0 1 377.460 2.590 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)c2)C[C@@H](C)O1 ZINC000826068417 603949335 /nfs/dbraw/zinc/94/93/35/603949335.db2.gz OUVRYEUYQXJZQX-STXHMFSFSA-N 0 1 375.469 2.624 20 0 GFADMN O=C([O-])NCCCOC1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000832633564 604103195 /nfs/dbraw/zinc/10/31/95/604103195.db2.gz UEDCVZQUCVHNPR-UHFFFAOYSA-N 0 1 378.404 2.514 20 0 GFADMN COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NC(=O)[O-] ZINC000829591066 604110393 /nfs/dbraw/zinc/11/03/93/604110393.db2.gz AOCSHCXPUJDVPT-QAPCUYQASA-N 0 1 389.496 2.775 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000830819128 604142607 /nfs/dbraw/zinc/14/26/07/604142607.db2.gz WQDMBDGPGAXFIU-XCRHUMRWSA-N 0 1 385.468 2.977 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000825252688 604176284 /nfs/dbraw/zinc/17/62/84/604176284.db2.gz FVLLTDBCDNWVJW-YDHLFZDLSA-N 0 1 383.439 2.852 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])C1 ZINC000825901254 604188591 /nfs/dbraw/zinc/18/85/91/604188591.db2.gz NPHJRUOZSQPIAX-XDNAFOTISA-N 0 1 380.533 2.719 20 0 GFADMN COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1 ZINC000829442394 604235155 /nfs/dbraw/zinc/23/51/55/604235155.db2.gz MOFCAHDKLVTQDX-CQSZACIVSA-N 0 1 375.469 2.877 20 0 GFADMN CC(C)(CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC(=O)[O-] ZINC000823917354 604279722 /nfs/dbraw/zinc/27/97/22/604279722.db2.gz DUZWXMGZSOSGKB-MSOLQXFVSA-N 0 1 388.512 2.729 20 0 GFADMN O=C([O-])CSCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715028244 604300146 /nfs/dbraw/zinc/30/01/46/604300146.db2.gz PBMHUSHKLDDIGH-MSOLQXFVSA-N 0 1 391.537 2.500 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[N@H+](C)C3(C(=O)[O-])CCCC3)sc2c1 ZINC000830094523 604457160 /nfs/dbraw/zinc/45/71/60/604457160.db2.gz KEYVANCZXOWPQH-UHFFFAOYSA-N 0 1 377.466 2.963 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[N@@H+](C)C3(C(=O)[O-])CCCC3)sc2c1 ZINC000830094523 604457162 /nfs/dbraw/zinc/45/71/62/604457162.db2.gz KEYVANCZXOWPQH-UHFFFAOYSA-N 0 1 377.466 2.963 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000829873096 604460564 /nfs/dbraw/zinc/46/05/64/604460564.db2.gz LLPVMMCKFBQSBE-UHFFFAOYSA-N 0 1 382.482 2.755 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000829873096 604460567 /nfs/dbraw/zinc/46/05/67/604460567.db2.gz LLPVMMCKFBQSBE-UHFFFAOYSA-N 0 1 382.482 2.755 20 0 GFADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000833701941 604474262 /nfs/dbraw/zinc/47/42/62/604474262.db2.gz PLLDJVOIJPAVQX-WSTZPKSXSA-N 0 1 380.444 2.667 20 0 GFADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000833701941 604474265 /nfs/dbraw/zinc/47/42/65/604474265.db2.gz PLLDJVOIJPAVQX-WSTZPKSXSA-N 0 1 380.444 2.667 20 0 GFADMN COc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1NC(=O)[O-] ZINC000829466011 604533526 /nfs/dbraw/zinc/53/35/26/604533526.db2.gz VRKJXXAKJKNVMI-GOEBONIOSA-N 0 1 392.456 2.550 20 0 GFADMN COc1cc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1NC(=O)[O-] ZINC000829167553 604537741 /nfs/dbraw/zinc/53/77/41/604537741.db2.gz NHIMJPYRQPULBX-HOCLYGCPSA-N 0 1 392.456 2.550 20 0 GFADMN CC1(c2cccc(Br)c2)CC[NH+](Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833573381 604546812 /nfs/dbraw/zinc/54/68/12/604546812.db2.gz IXACYMGEKPHGPB-UHFFFAOYSA-N 0 1 379.258 2.750 20 0 GFADMN O=C([O-])c1cccc(NC2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000833330148 604573832 /nfs/dbraw/zinc/57/38/32/604573832.db2.gz NDYOZEDNWOXXGJ-OALUTQOASA-N 0 1 386.496 2.598 20 0 GFADMN O=C([O-])C[C@@H]1CCCN1C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000833207183 604605516 /nfs/dbraw/zinc/60/55/16/604605516.db2.gz 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/nfs/dbraw/zinc/52/45/83/606524583.db2.gz POMFPRSEYYRLBC-UHFFFAOYSA-N 0 1 375.383 2.571 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820722944 606580853 /nfs/dbraw/zinc/58/08/53/606580853.db2.gz RXXOOACQUGFLDF-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149837 606669784 /nfs/dbraw/zinc/66/97/84/606669784.db2.gz HVSZNTSBQJSCAR-HNNXBMFYSA-N 0 1 398.417 2.539 20 0 GFADMN O=C(Nc1nc(Cc2ccccc2)ns1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823379838 606678771 /nfs/dbraw/zinc/67/87/71/606678771.db2.gz KWBPHSDUSOVFSW-UHFFFAOYSA-N 0 1 399.386 2.840 20 0 GFADMN c1ccc(-c2ccc(CN3CCO[C@H]([C@@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766454 606771789 /nfs/dbraw/zinc/77/17/89/606771789.db2.gz DGFXNIAOFLETNG-SFTDATJTSA-N 0 1 391.475 2.914 20 0 GFADMN O[C@H](CN1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680938 606919776 /nfs/dbraw/zinc/91/97/76/606919776.db2.gz BKBRHDIEWWUHDS-RTWAWAEBSA-N 0 1 386.459 2.807 20 0 GFADMN COc1cccc(-c2cc(C(=O)N(C)Cc3ccc(-c4nn[nH]n4)cc3)n[nH]2)c1 ZINC000821854572 606994101 /nfs/dbraw/zinc/99/41/01/606994101.db2.gz NLNSKIFKJMJFIB-UHFFFAOYSA-N 0 1 389.419 2.538 20 0 GFADMN CCCC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821026873 607023615 /nfs/dbraw/zinc/02/36/15/607023615.db2.gz FSQFVFPTFZQZHZ-UHFFFAOYSA-N 0 1 382.512 2.871 20 0 GFADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706927 607230109 /nfs/dbraw/zinc/23/01/09/607230109.db2.gz RUHQUFJFVVHGJS-GFCCVEGCSA-N 0 1 397.426 2.888 20 0 GFADMN OC[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706927 607230110 /nfs/dbraw/zinc/23/01/10/607230110.db2.gz RUHQUFJFVVHGJS-GFCCVEGCSA-N 0 1 397.426 2.888 20 0 GFADMN CCN1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)C[C@@H]1C ZINC000825458224 607825749 /nfs/dbraw/zinc/82/57/49/607825749.db2.gz ARFPIWKVNPRJEN-HNNXBMFYSA-N 0 1 391.479 2.777 20 0 GFADMN CN1CC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826029218 608007678 /nfs/dbraw/zinc/00/76/78/608007678.db2.gz QTFOZJOULXRCPS-HKUYNNGSSA-N 0 1 394.504 2.520 20 0 GFADMN Cc1cc2c(ncnc2N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826273202 608047294 /nfs/dbraw/zinc/04/72/94/608047294.db2.gz UGHSBBNEHREUCO-UHFFFAOYSA-N 0 1 392.492 2.502 20 0 GFADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cccc(-c4nnn[n-]4)n2)CC3)cc1 ZINC000826521327 608099181 /nfs/dbraw/zinc/09/91/81/608099181.db2.gz IIOYLBBEAXIHEN-UHFFFAOYSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2cccc(-c4nnn[n-]4)n2)CC3)cc1 ZINC000826521327 608099182 /nfs/dbraw/zinc/09/91/82/608099182.db2.gz IIOYLBBEAXIHEN-UHFFFAOYSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cccc(-c4nn[n-]n4)n2)CC3)cc1 ZINC000826521327 608099183 /nfs/dbraw/zinc/09/91/83/608099183.db2.gz IIOYLBBEAXIHEN-UHFFFAOYSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC3(C2)CCN(c2cccc(-c4nn[n-]n4)n2)CC3)cc1 ZINC000826521327 608099184 /nfs/dbraw/zinc/09/91/84/608099184.db2.gz IIOYLBBEAXIHEN-UHFFFAOYSA-N 0 1 375.480 2.754 20 0 GFADMN O=S(=O)(Nc1cccc2ncccc21)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826492748 608101446 /nfs/dbraw/zinc/10/14/46/608101446.db2.gz BAGCJELLCMZWAK-UHFFFAOYSA-N 0 1 386.824 2.869 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)cc1-c1nn[nH]n1 ZINC000826229424 608109092 /nfs/dbraw/zinc/10/90/92/608109092.db2.gz DHMVXQSSCLXYPS-MEBBXXQBSA-N 0 1 396.476 2.743 20 0 GFADMN C[C@H](CN(C)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413467 608132824 /nfs/dbraw/zinc/13/28/24/608132824.db2.gz LTQPUHPUJQOTSZ-CZUORRHYSA-N 0 1 397.508 2.554 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H](C)CN1Cc1ccccc1 ZINC000824977876 608264976 /nfs/dbraw/zinc/26/49/76/608264976.db2.gz SPDSKVZBVBWPRS-HZPDHXFCSA-N 0 1 391.479 2.993 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC000825443773 608304165 /nfs/dbraw/zinc/30/41/65/608304165.db2.gz FXRDRFHHFORCRH-QWRGUYRKSA-N 0 1 397.405 2.832 20 0 GFADMN COCC[N@H+](Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826158134 608310311 /nfs/dbraw/zinc/31/03/11/608310311.db2.gz BMMWKDGJTQTRMJ-UHFFFAOYSA-N 0 1 381.484 2.752 20 0 GFADMN COCC[N@@H+](Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826158134 608310314 /nfs/dbraw/zinc/31/03/14/608310314.db2.gz BMMWKDGJTQTRMJ-UHFFFAOYSA-N 0 1 381.484 2.752 20 0 GFADMN COCC[N@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826158134 608310316 /nfs/dbraw/zinc/31/03/16/608310316.db2.gz BMMWKDGJTQTRMJ-UHFFFAOYSA-N 0 1 381.484 2.752 20 0 GFADMN COCC[N@@H+](Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000826158134 608310318 /nfs/dbraw/zinc/31/03/18/608310318.db2.gz BMMWKDGJTQTRMJ-UHFFFAOYSA-N 0 1 381.484 2.752 20 0 GFADMN CN1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826034436 608327572 /nfs/dbraw/zinc/32/75/72/608327572.db2.gz QRETVNGFRUDOIQ-IBGZPJMESA-N 0 1 376.464 2.634 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826168841 608353036 /nfs/dbraw/zinc/35/30/36/608353036.db2.gz ADCLCBKWUJCVSG-QGZVFWFLSA-N 0 1 393.447 2.984 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000826168229 608370650 /nfs/dbraw/zinc/37/06/50/608370650.db2.gz GPBAWFXUDLDXLK-UHFFFAOYSA-N 0 1 398.511 2.536 20 0 GFADMN CCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170577 608437067 /nfs/dbraw/zinc/43/70/67/608437067.db2.gz CMIWCRBXGFRNLD-UHFFFAOYSA-N 0 1 378.484 2.761 20 0 GFADMN CCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000825170577 608437068 /nfs/dbraw/zinc/43/70/68/608437068.db2.gz CMIWCRBXGFRNLD-UHFFFAOYSA-N 0 1 378.484 2.761 20 0 GFADMN Cc1ccc(CN(C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000826287336 608460642 /nfs/dbraw/zinc/46/06/42/608460642.db2.gz KQTRZABDZSSLSE-CQSZACIVSA-N 0 1 380.452 2.610 20 0 GFADMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564423 608460815 /nfs/dbraw/zinc/46/08/15/608460815.db2.gz SYPIHSPNWCQHCE-HNNXBMFYSA-N 0 1 391.479 2.756 20 0 GFADMN C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553846 608463680 /nfs/dbraw/zinc/46/36/80/608463680.db2.gz IVFGOFYKYLKPQQ-JHMRYYBSSA-N 0 1 380.496 2.602 20 0 GFADMN Cc1ccc(SCCNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293015 608466123 /nfs/dbraw/zinc/46/61/23/608466123.db2.gz XBDWMZNJIDQQAR-OAHLLOKOSA-N 0 1 396.520 2.734 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029097 608468393 /nfs/dbraw/zinc/46/83/93/608468393.db2.gz CTKQOHUTYQDTIT-OLZOCXBDSA-N 0 1 378.436 2.747 20 0 GFADMN O=C(c1sccc1-c1nn[nH]n1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826475391 608473163 /nfs/dbraw/zinc/47/31/63/608473163.db2.gz DSXHEYUSQFFFPA-ZDUSSCGKSA-N 0 1 392.448 2.691 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826184155 608475316 /nfs/dbraw/zinc/47/53/16/608475316.db2.gz MSWUVEBXPMUKOE-ZDUSSCGKSA-N 0 1 394.435 2.683 20 0 GFADMN C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529112 608475498 /nfs/dbraw/zinc/47/54/98/608475498.db2.gz DVPKHHZLPYUCON-GHMZBOCLSA-N 0 1 398.492 2.800 20 0 GFADMN Cc1oc(NC(=O)C[NH2+][C@H](C)C(C)(C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341653 608478145 /nfs/dbraw/zinc/47/81/45/608478145.db2.gz MRXGGMMRBPZZLL-CQSZACIVSA-N 0 1 382.468 2.971 20 0 GFADMN C[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564871 608484251 /nfs/dbraw/zinc/48/42/51/608484251.db2.gz XLRHQAGRLQLJIP-LLVKDONJSA-N 0 1 379.449 2.766 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000826170310 608527625 /nfs/dbraw/zinc/52/76/25/608527625.db2.gz WCWYRRJNJZTRBJ-AWEZNQCLSA-N 0 1 375.436 2.912 20 0 GFADMN Cc1ccc(OC2CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cc1 ZINC000826292027 608559709 /nfs/dbraw/zinc/55/97/09/608559709.db2.gz FRRAXVXPFWNZNB-UHFFFAOYSA-N 0 1 389.463 2.866 20 0 GFADMN c1cn2c(cccc2CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826516037 608583079 /nfs/dbraw/zinc/58/30/79/608583079.db2.gz VEZMXYHGSFDPDS-UHFFFAOYSA-N 0 1 375.436 2.558 20 0 GFADMN CC1(C)CC[C@@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824801703 608587419 /nfs/dbraw/zinc/58/74/19/608587419.db2.gz GVDVZUWQPNDIEZ-GOSISDBHSA-N 0 1 397.527 2.663 20 0 GFADMN Fc1cccc(N2CCN(Cc3cnc4ccccc4c3)CC2)c1-c1nn[nH]n1 ZINC000826377140 608596403 /nfs/dbraw/zinc/59/64/03/608596403.db2.gz GRPVYHJJGNTNDX-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)C2)cc1 ZINC000826291072 608657935 /nfs/dbraw/zinc/65/79/35/608657935.db2.gz NTMFOLFXIDPLSJ-HNNXBMFYSA-N 0 1 395.467 2.802 20 0 GFADMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000826291072 608657938 /nfs/dbraw/zinc/65/79/38/608657938.db2.gz NTMFOLFXIDPLSJ-HNNXBMFYSA-N 0 1 395.467 2.802 20 0 GFADMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000826291072 608657939 /nfs/dbraw/zinc/65/79/39/608657939.db2.gz NTMFOLFXIDPLSJ-HNNXBMFYSA-N 0 1 395.467 2.802 20 0 GFADMN Cc1ccc(N2CC[C@H](N[C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)cc1 ZINC000826289548 609152222 /nfs/dbraw/zinc/15/22/22/609152222.db2.gz FINOLEBYLFPCDV-ACJLOTCBSA-N 0 1 380.427 2.770 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548752 609154270 /nfs/dbraw/zinc/15/42/70/609154270.db2.gz ZHGCFZKFNFEBIB-PXAZEXFGSA-N 0 1 398.417 2.991 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000823820189 609307415 /nfs/dbraw/zinc/30/74/15/609307415.db2.gz BQOSZOIJOUXEHF-UHFFFAOYSA-N 0 1 378.259 2.917 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000823820189 609307417 /nfs/dbraw/zinc/30/74/17/609307417.db2.gz BQOSZOIJOUXEHF-UHFFFAOYSA-N 0 1 378.259 2.917 20 0 GFADMN Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000826281886 609327363 /nfs/dbraw/zinc/32/73/63/609327363.db2.gz OCBMGEARUVZQCT-LBPRGKRZSA-N 0 1 386.406 2.534 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc2c(c1)CC(=O)N2C ZINC000824530238 609332882 /nfs/dbraw/zinc/33/28/82/609332882.db2.gz KIAPWPGDQWPKFR-NEPJUHHUSA-N 0 1 380.427 2.937 20 0 GFADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000824531678 609344903 /nfs/dbraw/zinc/34/49/03/609344903.db2.gz QBLWTKBIUXFPJC-STQMWFEESA-N 0 1 378.415 2.998 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@H]1CCCC[C@@H]1O ZINC000825961551 609377034 /nfs/dbraw/zinc/37/70/34/609377034.db2.gz IAMTTWMNHXIKSJ-HIFRSBDPSA-N 0 1 380.290 2.612 20 0 GFADMN COc1ccccc1[C@@H](C)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826218776 609409141 /nfs/dbraw/zinc/40/91/41/609409141.db2.gz KTKATJGWDXDUHS-KDOFPFPSSA-N 0 1 392.463 2.722 20 0 GFADMN CCOC(=O)Nc1ccc(NCc2[nH]nc3ccccc32)cc1-c1nn[nH]n1 ZINC000825553048 609488217 /nfs/dbraw/zinc/48/82/17/609488217.db2.gz JPBNIHKIISGAFP-UHFFFAOYSA-N 0 1 378.396 2.924 20 0 GFADMN CC(=O)N[C@H]1CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000817281229 660188883 /nfs/dbraw/zinc/18/88/83/660188883.db2.gz RZVQYEGIEIPQRP-SWLSCSKDSA-N 0 1 375.694 2.520 20 0 GFADMN Cc1cc(NC(=O)NCCc2nc[nH]n2)nn1-c1ccc(Cl)cc1Cl ZINC000539730278 650848671 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CC(=O)NCC[N@@H+](Cc1cc(Cl)ccc1Br)[C@H](C)C(=O)[O-] ZINC000263439595 655451809 /nfs/dbraw/zinc/45/18/09/655451809.db2.gz VVYWOYWRFQHASE-SECBINFHSA-N 0 1 377.666 2.514 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3(C)C)cc1C(N)=O ZINC000577375830 655458164 /nfs/dbraw/zinc/45/81/64/655458164.db2.gz XQVRPHIIKZONMV-UHFFFAOYSA-N 0 1 379.507 2.965 20 0 GFADMN CCCOc1ccc(Br)cc1CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000577417182 655459109 /nfs/dbraw/zinc/45/91/09/655459109.db2.gz NDAYIBXVYSNYBZ-SMDDNHRTSA-N 0 1 376.316 2.761 20 0 GFADMN CCN(Cc1ccccc1Br)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000264324556 655460996 /nfs/dbraw/zinc/46/09/96/655460996.db2.gz BTWKMYIKIMBBMF-HNNXBMFYSA-N 0 1 397.361 2.617 20 0 GFADMN NC(=O)[C@@H]1CN(Cn2ncc3c2cccc3Br)C[C@H]1c1ccccc1 ZINC000840176270 661144332 /nfs/dbraw/zinc/14/43/32/661144332.db2.gz DWAMTVWJVVKLMT-JKSUJKDBSA-N 0 1 399.292 2.957 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)CSc1cc(Cl)ccc1Cl ZINC000264462071 655464341 /nfs/dbraw/zinc/46/43/41/655464341.db2.gz 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O=C(c1cc(Cl)ccc1I)N1CC[C@H](N2CCC2)C1 ZINC000702293178 655521698 /nfs/dbraw/zinc/52/16/98/655521698.db2.gz VDGMBTVYVJUSKI-NSHDSACASA-N 0 1 390.652 2.865 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000716185422 655523423 /nfs/dbraw/zinc/52/34/23/655523423.db2.gz LPKJWTJIPZFKRF-CJNGLKHVSA-N 0 1 391.313 2.823 20 0 GFADMN CN(C)CCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000725824841 655527171 /nfs/dbraw/zinc/52/71/71/655527171.db2.gz JZYUYNJTPMXHTK-UHFFFAOYSA-N 0 1 381.929 2.671 20 0 GFADMN CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)C1 ZINC000726292123 655532836 /nfs/dbraw/zinc/53/28/36/655532836.db2.gz UJJJOUXMXDQEDZ-SECBINFHSA-N 0 1 377.844 2.804 20 0 GFADMN O=C(CNCc1ccccc1-n1cncn1)Nc1ccc(Br)cc1 ZINC000726797439 655538571 /nfs/dbraw/zinc/53/85/71/655538571.db2.gz CQPDEFCNEXJHOQ-UHFFFAOYSA-N 0 1 386.253 2.758 20 0 GFADMN CSc1n[nH]c(NS(=O)(=O)C=Cc2ccccc2Br)n1 ZINC000729811458 655568740 /nfs/dbraw/zinc/56/87/40/655568740.db2.gz JSSOKIJELFBZBE-VOTSOKGWSA-N 0 1 375.273 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655762459 /nfs/dbraw/zinc/76/24/59/655762459.db2.gz KBGAWJIKPRBSDY-UHFFFAOYSA-N 0 1 385.295 2.934 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000747352981 655777661 /nfs/dbraw/zinc/77/76/61/655777661.db2.gz NWLIZEXXFIVIOT-UHFFFAOYSA-N 0 1 381.508 2.842 20 0 GFADMN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747383088 655778288 /nfs/dbraw/zinc/77/82/88/655778288.db2.gz GFHXRCXYEOQKEB-SNVBAGLBSA-N 0 1 383.520 2.607 20 0 GFADMN Cc1nn(Cc2ccccc2)c(Cl)c1CNCC1(CS(C)(=O)=O)CC1 ZINC000748241601 655788955 /nfs/dbraw/zinc/78/89/55/655788955.db2.gz BPECVHPIYOQLIV-UHFFFAOYSA-N 0 1 381.929 2.808 20 0 GFADMN CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCN1[C@H](C)CCC[C@@H]1C ZINC000749096176 655800037 /nfs/dbraw/zinc/80/00/37/655800037.db2.gz GEUWIBKHHFWANT-BETUJISGSA-N 0 1 388.965 2.912 20 0 GFADMN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1n[nH]c(C)c1Br ZINC000749621997 655806113 /nfs/dbraw/zinc/80/61/13/655806113.db2.gz JKRGWWLLVYOZDH-NSHDSACASA-N 0 1 394.269 2.932 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)OCCc1c[nH]nn1 ZINC000750717687 655816562 /nfs/dbraw/zinc/81/65/62/655816562.db2.gz XIWHZVGATGVKLX-UHFFFAOYSA-N 0 1 390.241 2.769 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)OCCc1cnn[nH]1 ZINC000750717687 655816564 /nfs/dbraw/zinc/81/65/64/655816564.db2.gz XIWHZVGATGVKLX-UHFFFAOYSA-N 0 1 390.241 2.769 20 0 GFADMN CN(C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccsc1 ZINC000750853627 655818077 /nfs/dbraw/zinc/81/80/77/655818077.db2.gz GCKSGONWUQXSOD-KBPBESRZSA-N 0 1 385.555 2.777 20 0 GFADMN Cc1cc(CS(=O)(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)on1 ZINC000751292455 655824745 /nfs/dbraw/zinc/82/47/45/655824745.db2.gz OOMKPKKENIGFPP-CYBMUJFWSA-N 0 1 398.790 2.506 20 0 GFADMN C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)[C@H]1C ZINC000751942006 655836487 /nfs/dbraw/zinc/83/64/87/655836487.db2.gz OWIKYIAQUFIUMF-PEBVRCNWSA-N 0 1 380.286 2.904 20 0 GFADMN OCCCCN1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000752022430 655838648 /nfs/dbraw/zinc/83/86/48/655838648.db2.gz 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KTFNGLWDQGFBQV-NSHDSACASA-N 0 1 387.173 2.707 20 0 GFADMN C[C@H](NC(=O)c1cccc(I)c1O)C1CCOCC1 ZINC000755515215 655884894 /nfs/dbraw/zinc/88/48/94/655884894.db2.gz QKZSYJCDRWQKOV-VIFPVBQESA-N 0 1 375.206 2.542 20 0 GFADMN O=C(NC[C@@H](O)c1ccsc1)c1cccc(I)c1O ZINC000755517357 655884959 /nfs/dbraw/zinc/88/49/59/655884959.db2.gz NWULQJPILNCLAU-LLVKDONJSA-N 0 1 389.214 2.522 20 0 GFADMN CCOCCC1(CNC(=O)c2cccc(I)c2O)CC1 ZINC000755594562 655886044 /nfs/dbraw/zinc/88/60/44/655886044.db2.gz RGJSFDKUVRSAJZ-UHFFFAOYSA-N 0 1 389.233 2.933 20 0 GFADMN CS(=O)(=O)c1ccc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000840894527 661201508 /nfs/dbraw/zinc/20/15/08/661201508.db2.gz AXEZXHYDOSIPMV-ZDUSSCGKSA-N 0 1 379.425 2.994 20 0 GFADMN NC(=O)[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Br)cc1F ZINC000758137382 655923844 /nfs/dbraw/zinc/92/38/44/655923844.db2.gz UNDPJUZZVCLWRQ-OTYXRUKQSA-N 0 1 396.216 2.501 20 0 GFADMN O=S(=O)(Cc1ccccc1)NCCNCc1ccc(C(F)(F)F)s1 ZINC000758308614 655929012 /nfs/dbraw/zinc/92/90/12/655929012.db2.gz OYOPIRVHEPIWFW-UHFFFAOYSA-N 0 1 378.441 2.976 20 0 GFADMN CNC(=O)CCOC1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759166951 655949712 /nfs/dbraw/zinc/94/97/12/655949712.db2.gz UZMZDUFAUBCUQP-INIZCTEOSA-N 0 1 375.296 2.644 20 0 GFADMN CN(C)[C@H](CNC(=O)c1cnn(C)c1Br)c1ccc(Cl)cc1 ZINC000760343579 655976685 /nfs/dbraw/zinc/97/66/85/655976685.db2.gz CGOASFFOTIRYLC-CYBMUJFWSA-N 0 1 385.693 2.869 20 0 GFADMN Cn1nc(Br)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000760812078 655992141 /nfs/dbraw/zinc/99/21/41/655992141.db2.gz VTSOQDHMIRKGCA-UHFFFAOYSA-N 0 1 381.621 2.873 20 0 GFADMN CCc1cc(CN2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)n[nH]1 ZINC000761270287 656006792 /nfs/dbraw/zinc/00/67/92/656006792.db2.gz XMOJCQIVEYRALW-AWEZNQCLSA-N 0 1 377.242 2.870 20 0 GFADMN CN(C)C(=O)c1cc(NS(=O)(=O)c2cnc(Cl)c(F)c2)ccc1F ZINC000761950978 656026167 /nfs/dbraw/zinc/02/61/67/656026167.db2.gz LNDJCCAAHSHXLT-UHFFFAOYSA-N 0 1 375.784 2.516 20 0 GFADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761954360 656026607 /nfs/dbraw/zinc/02/66/07/656026607.db2.gz PWJUWLWWRMLVJG-QFIPXVFZSA-N 0 1 376.862 2.862 20 0 GFADMN CCc1cc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)n[nH]1 ZINC000764263082 656107108 /nfs/dbraw/zinc/10/71/08/656107108.db2.gz RNVNMDFEXXQMAM-UHFFFAOYSA-N 0 1 385.649 2.643 20 0 GFADMN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000765078357 656129907 /nfs/dbraw/zinc/12/99/07/656129907.db2.gz IXDSNCFSWMDOCY-UHFFFAOYSA-N 0 1 378.841 2.848 20 0 GFADMN COc1c(C)c[nH+]c(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1C ZINC000767080479 656193527 /nfs/dbraw/zinc/19/35/27/656193527.db2.gz FQLXPQYITWGEMC-UHFFFAOYSA-N 0 1 376.265 2.887 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1N(C)C ZINC000767313922 656199404 /nfs/dbraw/zinc/19/94/04/656199404.db2.gz BHOATEQBGPWXIC-ROUUACIJSA-N 0 1 384.567 2.674 20 0 GFADMN COc1cc(S(=O)(=O)N(CCN(C)C)C2CCCCC2)cnc1Cl ZINC000767810715 656220597 /nfs/dbraw/zinc/22/05/97/656220597.db2.gz ACQGMHHIVFKOBA-UHFFFAOYSA-N 0 1 375.922 2.629 20 0 GFADMN CC(=O)N1CCC(N2CCN(Cc3ccc(Br)s3)CC2)CC1 ZINC000768193725 656234658 /nfs/dbraw/zinc/23/46/58/656234658.db2.gz OHKFBLRDTXXOKS-UHFFFAOYSA-N 0 1 386.359 2.639 20 0 GFADMN Cc1c(CN2CCCC[C@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000768342096 656237479 /nfs/dbraw/zinc/23/74/79/656237479.db2.gz OGOINENSYCHHLI-AWEZNQCLSA-N 0 1 382.555 2.520 20 0 GFADMN CC1(C)CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)CCN1 ZINC000841264161 661250314 /nfs/dbraw/zinc/25/03/14/661250314.db2.gz KGHXOZWDLLLGEG-UHFFFAOYSA-N 0 1 390.281 2.751 20 0 GFADMN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc(Br)ccc3c2)[C@H](C)CN1 ZINC000841207509 661244520 /nfs/dbraw/zinc/24/45/20/661244520.db2.gz QQSPVRVKTZOHAQ-VXGBXAGGSA-N 0 1 390.281 2.750 20 0 GFADMN Cc1nc(COC(=O)c2ccc(Cl)c(I)c2)n[nH]1 ZINC000770641094 656325611 /nfs/dbraw/zinc/32/56/11/656325611.db2.gz WIXJXKRGTBBVOL-UHFFFAOYSA-N 0 1 377.569 2.728 20 0 GFADMN O=C1COc2ccc(S(=O)(=O)Nc3ccc(SC(F)F)nc3)cc2N1 ZINC000771130834 656340822 /nfs/dbraw/zinc/34/08/22/656340822.db2.gz MJHUPBICFNSCPS-UHFFFAOYSA-N 0 1 387.389 2.528 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000773164446 656402187 /nfs/dbraw/zinc/40/21/87/656402187.db2.gz XLVFLEMXDGATCT-NQBHXWOUSA-N 0 1 384.292 2.927 20 0 GFADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cn1nc(N2CCOCC2)sc1=S ZINC000773343676 656414460 /nfs/dbraw/zinc/41/44/60/656414460.db2.gz XKFVQBOBPRAIKY-UHFFFAOYSA-N 0 1 382.559 2.621 20 0 GFADMN C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)CN1CCO ZINC000841455822 661267353 /nfs/dbraw/zinc/26/73/53/661267353.db2.gz WNYXHFGTHVWPLR-NEPJUHHUSA-N 0 1 389.721 2.559 20 0 GFADMN CN(C)C1CC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000773485191 656451639 /nfs/dbraw/zinc/45/16/39/656451639.db2.gz AOIGCLZZAKQJRY-UHFFFAOYSA-N 0 1 384.929 2.635 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)C=Cc1ccc(Cl)s1 ZINC000778278664 656872046 /nfs/dbraw/zinc/87/20/46/656872046.db2.gz SFJXZLFBKJAQSH-ALCCZGGFSA-N 0 1 380.901 2.702 20 0 GFADMN C/C(=C\C(=O)OCCOCCNC(=O)C(F)(F)F)c1cccc(Cl)c1 ZINC000779456691 656927309 /nfs/dbraw/zinc/92/73/09/656927309.db2.gz LVOIITXRFVQLLL-PKNBQFBNSA-N 0 1 379.762 2.982 20 0 GFADMN CC(=O)N1CCC[C@H](C(=O)OCc2nc3ccc(Br)cc3[nH]2)C1 ZINC000780525439 657011404 /nfs/dbraw/zinc/01/14/04/657011404.db2.gz ZEZDMGCNXZSZLU-NSHDSACASA-N 0 1 380.242 2.627 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCCCC1 ZINC000780716964 657025478 /nfs/dbraw/zinc/02/54/78/657025478.db2.gz ATOCKTMMVJMFKQ-NSHDSACASA-N 0 1 379.295 2.741 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cccc(C(F)F)c2)CC1 ZINC000780774716 657028164 /nfs/dbraw/zinc/02/81/64/657028164.db2.gz WBLUYVRWIFOCLM-UHFFFAOYSA-N 0 1 376.469 2.792 20 0 GFADMN O=C(Cc1csc2ccccc12)OCCOCCNC(=O)C(F)(F)F ZINC000782642262 657168624 /nfs/dbraw/zinc/16/86/24/657168624.db2.gz QFJQCYFOYDAKHM-UHFFFAOYSA-N 0 1 375.368 2.682 20 0 GFADMN O=C(c1cccc(I)c1O)N1CCc2ncsc2C1 ZINC000783846073 657265006 /nfs/dbraw/zinc/26/50/06/657265006.db2.gz PNOWIBMGFDFUIM-UHFFFAOYSA-N 0 1 386.214 2.652 20 0 GFADMN Cn1nc(Br)cc1CNCc1ccccc1CN1CCCC1=O ZINC000785422321 657363752 /nfs/dbraw/zinc/36/37/52/657363752.db2.gz MLFAWALXYSUVSG-UHFFFAOYSA-N 0 1 377.286 2.595 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(Cl)n1 ZINC000790049198 657920770 /nfs/dbraw/zinc/92/07/70/657920770.db2.gz TZAOEBFWIYMTAT-CJNGLKHVSA-N 0 1 379.913 2.842 20 0 GFADMN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(Br)n[nH]1 ZINC000791310020 658078986 /nfs/dbraw/zinc/07/89/86/658078986.db2.gz RSDFSQINPIEWTC-UHFFFAOYSA-N 0 1 385.649 2.915 20 0 GFADMN C[S@@](=O)Cc1cc(NC(=O)c2cc(Br)n[nH]2)ccc1Cl ZINC000791366533 658087099 /nfs/dbraw/zinc/08/70/99/658087099.db2.gz JXWBFIINKNHRBN-HXUWFJFHSA-N 0 1 376.663 2.956 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(I)c2O)C[C@@H](C2CC2)O1 ZINC000792494766 658291485 /nfs/dbraw/zinc/29/14/85/658291485.db2.gz ZYLHSLOOPARQMW-RNCFNFMXSA-N 0 1 387.217 2.636 20 0 GFADMN CSCCONC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000793017725 658347597 /nfs/dbraw/zinc/34/75/97/658347597.db2.gz SPDBNFXGMOCOTQ-CQSZACIVSA-N 0 1 377.432 2.874 20 0 GFADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(Br)nn1C ZINC000794052902 658483141 /nfs/dbraw/zinc/48/31/41/658483141.db2.gz ZYOYHWMOLZROBB-UHFFFAOYSA-N 0 1 381.255 2.840 20 0 GFADMN CCNC(=O)N(C)c1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000794117442 658490232 /nfs/dbraw/zinc/49/02/32/658490232.db2.gz JCDPEKSEKSHOPN-UHFFFAOYSA-N 0 1 383.524 2.723 20 0 GFADMN CSCCONC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000794192759 658500074 /nfs/dbraw/zinc/50/00/74/658500074.db2.gz CBLXGMDSPVZMRH-QMTHXVAHSA-N 0 1 377.293 2.924 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(CSc2nc(Cc3ccccc3)n[nH]2)o1 ZINC000794559218 658561627 /nfs/dbraw/zinc/56/16/27/658561627.db2.gz SQFUDFHNMICADT-UHFFFAOYSA-N 0 1 378.479 2.531 20 0 GFADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c1 ZINC000794581842 658567568 /nfs/dbraw/zinc/56/75/68/658567568.db2.gz VLKDOIVEQMPLAA-UHFFFAOYSA-N 0 1 384.816 2.972 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cn1 ZINC000795291247 658801672 /nfs/dbraw/zinc/80/16/72/658801672.db2.gz WVFMMJIQOACUMJ-UHFFFAOYSA-N 0 1 381.841 2.671 20 0 GFADMN Cn1cc(C(=O)CCC(=O)OCc2nc3ccc(Br)cc3[nH]2)cn1 ZINC000796156899 658896413 /nfs/dbraw/zinc/89/64/13/658896413.db2.gz JKTNNACMRSGPFS-UHFFFAOYSA-N 0 1 391.225 2.765 20 0 GFADMN C[C@@](CO)(NCC(=O)Nc1ccc(O)cc1)c1ccc(Br)cc1 ZINC000796277413 658909995 /nfs/dbraw/zinc/90/99/95/658909995.db2.gz HWMNYFVCZWRGMD-KRWDZBQOSA-N 0 1 379.254 2.591 20 0 GFADMN COC(=O)C[C@@](C)(NC/C=C(/C)C(=O)OC)c1ccc(Br)cc1 ZINC000796497098 658920009 /nfs/dbraw/zinc/92/00/09/658920009.db2.gz FPFPITPLPHUGRH-QJWNTBNXSA-N 0 1 384.270 2.936 20 0 GFADMN C[C@@H](NC(=O)CNC(C)(C)C(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000796586103 658925102 /nfs/dbraw/zinc/92/51/02/658925102.db2.gz XDAXAILCFKNYGI-CYBMUJFWSA-N 0 1 396.329 2.617 20 0 GFADMN C[C@H]1CCCN1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000797455506 659024630 /nfs/dbraw/zinc/02/46/30/659024630.db2.gz WIJZTHQFLCJYER-JTQLQIEISA-N 0 1 381.723 2.865 20 0 GFADMN COc1ccccc1CONC(=O)c1cccc(I)c1O 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COc1ccc(Cn2cc(NC(=O)CSc3n[nH]c(=S)s3)cn2)cc1 ZINC000803726076 659599656 /nfs/dbraw/zinc/59/96/56/659599656.db2.gz QRONIIOISGKIGN-UHFFFAOYSA-N 0 1 393.519 2.811 20 0 GFADMN COc1cc(C(=O)N2CC(N(C)Cc3ccccc3)C2)cnc1Br ZINC000804533694 659654576 /nfs/dbraw/zinc/65/45/76/659654576.db2.gz GGBRJFLQJPWNCL-UHFFFAOYSA-N 0 1 390.281 2.809 20 0 GFADMN COc1ccc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)cc1Br ZINC000804592586 659661377 /nfs/dbraw/zinc/66/13/77/659661377.db2.gz QQBJFPGOLUKFHK-CQSZACIVSA-N 0 1 386.286 2.971 20 0 GFADMN CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000805049901 659727126 /nfs/dbraw/zinc/72/71/26/659727126.db2.gz BGQKWDHBAUMQEB-UHFFFAOYSA-N 0 1 396.843 2.763 20 0 GFADMN Cc1nc(S(=O)(=O)NC(C)(C)CC(F)(F)F)c(Br)n1C ZINC000805072572 659733833 /nfs/dbraw/zinc/73/38/33/659733833.db2.gz REIFIRIYFFCBMO-UHFFFAOYSA-N 0 1 378.214 2.500 20 0 GFADMN CC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000805822202 659807860 /nfs/dbraw/zinc/80/78/60/659807860.db2.gz KCIHDIWYSIKCOI-DYVFJYSZSA-N 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C[C@@H]1C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c2ccccc2O1 ZINC000867331014 662542780 /nfs/dbraw/zinc/54/27/80/662542780.db2.gz NGORBXALGCHPFZ-LBCXTIRYSA-N 0 1 380.491 2.890 20 0 GFADMN CC[S@@](C)(=O)=NS(=O)(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000867586482 662561173 /nfs/dbraw/zinc/56/11/73/662561173.db2.gz UUXNCFJDIAQOEW-MZNJEOGPSA-N 0 1 381.523 2.708 20 0 GFADMN C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC000867813173 662579394 /nfs/dbraw/zinc/57/93/94/662579394.db2.gz RVRUAUNHLXRQIV-GFCCVEGCSA-N 0 1 388.249 2.553 20 0 GFADMN N[C@H](C(=O)NC[C@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927751 662587670 /nfs/dbraw/zinc/58/76/70/662587670.db2.gz NCDLJRMJNJBOQE-SJORKVTESA-N 0 1 375.266 2.879 20 0 GFADMN COc1ccc(OC)c(CCNC(=O)[C@@H](N)c2cccc(Br)c2)c1 ZINC000867943508 662588511 /nfs/dbraw/zinc/58/85/11/662588511.db2.gz XLTDYJOWSXUJRC-KRWDZBQOSA-N 0 1 393.281 2.825 20 0 GFADMN CC(=Cc1ccc(Br)o1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000868063963 662593237 /nfs/dbraw/zinc/59/32/37/662593237.db2.gz 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GFADMN Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C(=O)[O-])c1Cl ZINC000871895140 662740146 /nfs/dbraw/zinc/74/01/46/662740146.db2.gz KNRITBZFHQACJU-ZDUSSCGKSA-N 0 1 388.917 2.842 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1Cl ZINC000871950886 662745900 /nfs/dbraw/zinc/74/59/00/662745900.db2.gz JWZJHLBBEWZCMS-AWEZNQCLSA-N 0 1 386.901 2.642 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1Cl ZINC000871950886 662745903 /nfs/dbraw/zinc/74/59/03/662745903.db2.gz JWZJHLBBEWZCMS-AWEZNQCLSA-N 0 1 386.901 2.642 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000871979432 662748568 /nfs/dbraw/zinc/74/85/68/662748568.db2.gz JVRLCBFKJDJNLE-CABCVRRESA-N 0 1 386.901 2.642 20 0 GFADMN CCn1cc(S(=O)(=O)Nc2c3c(ccc2Br)OCC3)nc1C ZINC000872008584 662752883 /nfs/dbraw/zinc/75/28/83/662752883.db2.gz NBIFQNFFCNXCQQ-UHFFFAOYSA-N 0 1 386.271 2.710 20 0 GFADMN CCOC(=O)c1cc(CNC[C@@H](O)c2ccc(F)c(Br)c2)on1 ZINC000872226849 662758163 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/nfs/dbraw/zinc/48/17/08/552481708.db2.gz HZOKOMVJAJEEGG-CHWSQXEVSA-N 0 1 387.933 2.985 20 0 GFADMN Cc1csc([C@@H]2COCCN2C(=O)NC[C@H](c2cccs2)N(C)C)n1 ZINC000189947856 552483264 /nfs/dbraw/zinc/48/32/64/552483264.db2.gz LFXZSCLUETYNBZ-KGLIPLIRSA-N 0 1 380.539 2.899 20 0 GFADMN O=C(CO)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000190282443 552491918 /nfs/dbraw/zinc/49/19/18/552491918.db2.gz DMEWTANMQJVPKP-UHFFFAOYSA-N 0 1 393.223 2.864 20 0 GFADMN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cncc(Br)c1 ZINC000191091827 552518419 /nfs/dbraw/zinc/51/84/19/552518419.db2.gz PPECOBLWKFNUTK-UHFFFAOYSA-N 0 1 391.268 2.801 20 0 GFADMN O=S(=O)(CCO)c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000191838985 552539335 /nfs/dbraw/zinc/53/93/35/552539335.db2.gz FYOYQKLWCZPSDI-UHFFFAOYSA-N 0 1 384.295 2.505 20 0 GFADMN O=S(=O)(CCO)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000191844339 552539725 /nfs/dbraw/zinc/53/97/25/552539725.db2.gz AKKJGAKJPZCMRW-UHFFFAOYSA-N 0 1 384.295 2.505 20 0 GFADMN Cn1nc(Br)cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000191886093 552541285 /nfs/dbraw/zinc/54/12/85/552541285.db2.gz SMFHBMFOWSHOQG-GFCCVEGCSA-N 0 1 383.315 2.811 20 0 GFADMN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000192096702 552550904 /nfs/dbraw/zinc/55/09/04/552550904.db2.gz QGOWEKGKCXTAJB-MRVPVSSYSA-N 0 1 385.251 2.719 20 0 GFADMN Cc1cc(NC(=O)C(=O)NCCN2CCCCC2)cc(C)c1Br ZINC000192449491 552564163 /nfs/dbraw/zinc/56/41/63/552564163.db2.gz MPPJMBZFIWKARB-UHFFFAOYSA-N 0 1 382.302 2.607 20 0 GFADMN C[C@H]1COCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000192492634 552565847 /nfs/dbraw/zinc/56/58/47/552565847.db2.gz NXHAJRVKNQLVKQ-GWCFXTLKSA-N 0 1 379.258 2.523 20 0 GFADMN C[C@H]1COCC[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000192492634 552565848 /nfs/dbraw/zinc/56/58/48/552565848.db2.gz NXHAJRVKNQLVKQ-GWCFXTLKSA-N 0 1 379.258 2.523 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1nc(C)c(C)s1)c1ccsc1 ZINC000192561323 552566934 /nfs/dbraw/zinc/56/69/34/552566934.db2.gz UNXCKMFMCFCIMA-CQSZACIVSA-N 0 1 380.539 2.959 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@@H](C)C1 ZINC000192811388 552974413 /nfs/dbraw/zinc/97/44/13/552974413.db2.gz QPYCGAGSFXSYJF-UONOGXRCSA-N 0 1 394.313 2.991 20 0 GFADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000192831182 552975194 /nfs/dbraw/zinc/97/51/94/552975194.db2.gz YOWQRJWWMQSWHA-CYBMUJFWSA-N 0 1 378.885 2.688 20 0 GFADMN CN1CCN(CCNC(=O)CSc2cccc3cccc(Cl)c32)CC1 ZINC000193092163 552983267 /nfs/dbraw/zinc/98/32/67/552983267.db2.gz YFJUUUIAKSXFIC-UHFFFAOYSA-N 0 1 377.941 2.949 20 0 GFADMN O=S(=O)([N-]C1CC[NH+](CC2CC2)CC1)c1sccc1Br ZINC000193959759 553007981 /nfs/dbraw/zinc/00/79/81/553007981.db2.gz GQYOBPUUJSOVQO-UHFFFAOYSA-N 0 1 379.345 2.663 20 0 GFADMN CCc1nc(C[S@@](=O)Cc2csc(COc3ccc(F)cc3)n2)n[nH]1 ZINC000194159451 553013270 /nfs/dbraw/zinc/01/32/70/553013270.db2.gz KYXPAQXJAKPEPC-VWLOTQADSA-N 0 1 380.470 2.991 20 0 GFADMN O=S(=O)(Nc1ccccc1-n1ccnn1)c1ccc(F)cc1Br ZINC000194193376 553014460 /nfs/dbraw/zinc/01/44/60/553014460.db2.gz GUTGLENMVCKMJN-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3cc(Br)cs3)nc2)CC1 ZINC000195029261 553036040 /nfs/dbraw/zinc/03/60/40/553036040.db2.gz XLVXBVCPYQKXJD-UHFFFAOYSA-N 0 1 381.299 2.910 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)NCc2ccccc2Br)C[C@H](C)O1 ZINC000195070850 553037304 /nfs/dbraw/zinc/03/73/04/553037304.db2.gz HLGUTNBPBBVHFR-OKILXGFUSA-N 0 1 384.318 2.748 20 0 GFADMN O=C(NCCCc1nc[nH]n1)c1cc(Br)sc1Br ZINC000231668023 553066529 /nfs/dbraw/zinc/06/65/29/553066529.db2.gz DMKQRHOSLHCEPL-UHFFFAOYSA-N 0 1 394.092 2.754 20 0 GFADMN CN(CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093664 /nfs/dbraw/zinc/09/36/64/553093664.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 0 1 381.973 2.812 20 0 GFADMN CC(C)Sc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000246001234 553101068 /nfs/dbraw/zinc/10/10/68/553101068.db2.gz GFCJVZZWOLACGC-DZKIICNBSA-N 0 1 384.567 2.530 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1OC ZINC000248752942 553134282 /nfs/dbraw/zinc/13/42/82/553134282.db2.gz OYASXZVTNYQYAD-QWHCGFSZSA-N 0 1 390.933 2.756 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000248792865 553135083 /nfs/dbraw/zinc/13/50/83/553135083.db2.gz IXLGOUJUCNJYCI-WMLDXEAASA-N 0 1 379.913 2.675 20 0 GFADMN C[C@@H](NC(=O)CN1CCN(C[C@H](C)O)C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000249208610 553140798 /nfs/dbraw/zinc/14/07/98/553140798.db2.gz CGFIMSLFJZNLGD-MELADBBJSA-N 0 1 388.339 2.558 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000249398275 553142891 /nfs/dbraw/zinc/14/28/91/553142891.db2.gz SCEQPZOOVHPDSD-XOKHGSTOSA-N 0 1 395.341 2.856 20 0 GFADMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249405509 553143020 /nfs/dbraw/zinc/14/30/20/553143020.db2.gz UIKATKWAFABJBT-KGLIPLIRSA-N 0 1 399.329 2.520 20 0 GFADMN CCN(C[C@@H](O)C(F)(F)F)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000249488313 553143865 /nfs/dbraw/zinc/14/38/65/553143865.db2.gz XRWAFTQDAZAJEG-GXFFZTMASA-N 0 1 376.202 2.978 20 0 GFADMN Cc1cc(CCC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)ccc1Br ZINC000251949856 553148945 /nfs/dbraw/zinc/14/89/45/553148945.db2.gz UVQRONDRYNPCNM-GJZGRUSLSA-N 0 1 383.330 2.604 20 0 GFADMN CN(C(=O)CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000261773240 553158427 /nfs/dbraw/zinc/15/84/27/553158427.db2.gz OMMUJUJRDYSHQW-SFHVURJKSA-N 0 1 396.329 2.530 20 0 GFADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C2 ZINC000262246356 553167975 /nfs/dbraw/zinc/16/79/75/553167975.db2.gz YPSIJHBEUYICDL-YVEFUNNKSA-N 0 1 381.270 2.964 20 0 GFADMN O=C(C[C@H]1COCCN1)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000262355604 553169858 /nfs/dbraw/zinc/16/98/58/553169858.db2.gz JQXCZJCJQQNPOR-AWEZNQCLSA-N 0 1 392.253 2.953 20 0 GFADMN CN[C@H](C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554146 553172565 /nfs/dbraw/zinc/17/25/65/553172565.db2.gz PEURQKHHPUUGBO-BBRMVZONSA-N 0 1 383.279 2.667 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263371010 553187054 /nfs/dbraw/zinc/18/70/54/553187054.db2.gz VIJRENBPIFYXMV-VNHYZAJKSA-N 0 1 397.313 2.839 20 0 GFADMN C[C@@H](CNC(=O)CCCOc1ccc(Cl)cc1Cl)N1CCN(C)CC1 ZINC000263765444 553192888 /nfs/dbraw/zinc/19/28/88/553192888.db2.gz MFZFMFMPDLSGMI-AWEZNQCLSA-N 0 1 388.339 2.905 20 0 GFADMN CCOCCN(CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449020284 563905372 /nfs/dbraw/zinc/90/53/72/563905372.db2.gz QDCGPJWFKVAXTM-CYBMUJFWSA-N 0 1 387.318 2.821 20 0 GFADMN Cc1c(Br)cccc1S(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000473948257 564259797 /nfs/dbraw/zinc/25/97/97/564259797.db2.gz FQKVJZREBVXFPR-GFCCVEGCSA-N 0 1 375.332 2.910 20 0 GFADMN CS[C@@H](CO)[C@H](C)NCc1c(F)ccc(I)c1F ZINC000474815609 564290596 /nfs/dbraw/zinc/29/05/96/564290596.db2.gz JIHDMLZIWFCMSG-CPCISQLKSA-N 0 1 387.233 2.771 20 0 GFADMN Cc1ncsc1CNCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512886609 564415373 /nfs/dbraw/zinc/41/53/73/564415373.db2.gz ZVLGRUVIAQUFIP-UHFFFAOYSA-N 0 1 380.322 2.826 20 0 GFADMN O=S1(=O)CC[C@@H](NCC2(CO)CCCC2)c2cc(Br)ccc21 ZINC000480695144 564482316 /nfs/dbraw/zinc/48/23/16/564482316.db2.gz PDBSXLTUKTYZHF-CQSZACIVSA-N 0 1 388.327 2.810 20 0 GFADMN CC[C@H](CS(=O)(=O)Nc1cc(Br)ccc1NC(C)=O)OC ZINC000421160550 563299315 /nfs/dbraw/zinc/29/93/15/563299315.db2.gz YQEKXLHMJRKJLV-LLVKDONJSA-N 0 1 379.276 2.574 20 0 GFADMN C[NH+](C)C1CCC(NC(=O)c2cc(I)ccc2[O-])CC1 ZINC000422013226 563327631 /nfs/dbraw/zinc/32/76/31/563327631.db2.gz WZSITIMXRCVKHL-UHFFFAOYSA-N 0 1 388.249 2.599 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)N1CCCC1 ZINC000312245805 563435775 /nfs/dbraw/zinc/43/57/75/563435775.db2.gz BGCSHPGEMLBFTO-JTQLQIEISA-N 0 1 381.723 2.865 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)CCN1C ZINC000383228248 563516137 /nfs/dbraw/zinc/51/61/37/563516137.db2.gz ATJSJGJGUMDBLA-UWVGGRQHSA-N 0 1 381.723 2.864 20 0 GFADMN CN1C(=O)CSC12CCN(C[C@H]1CC(c3ccc(Cl)cc3)=NO1)CC2 ZINC000369908762 563228313 /nfs/dbraw/zinc/22/83/13/563228313.db2.gz NYOCNVWFDHZLQE-OAHLLOKOSA-N 0 1 379.913 2.830 20 0 GFADMN COc1nccc(CNCCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000295149751 563230726 /nfs/dbraw/zinc/23/07/26/563230726.db2.gz JLXUKYZVENPGNQ-UHFFFAOYSA-N 0 1 379.258 2.675 20 0 GFADMN COc1cc2c(cc1OC)CCN(C(=O)CSc1n[nH]c(=S)s1)CC2 ZINC000370021625 563230977 /nfs/dbraw/zinc/23/09/77/563230977.db2.gz VCRXQVMQDVCTAN-UHFFFAOYSA-N 0 1 397.547 2.564 20 0 GFADMN C[C@H](CN(C)C(=O)c1cc(Cl)cc(Br)c1F)c1nn[nH]n1 ZINC000277994290 563235569 /nfs/dbraw/zinc/23/55/69/563235569.db2.gz QAGNKYTYKWCXIG-ZCFIWIBFSA-N 0 1 376.617 2.630 20 0 GFADMN C[C@H]1CN(Cc2ncc(-c3ccccc3Br)o2)[C@@H](C)CN1CCO ZINC000419332093 563237032 /nfs/dbraw/zinc/23/70/32/563237032.db2.gz SPDMIFLYUIQKDY-KBPBESRZSA-N 0 1 394.313 2.991 20 0 GFADMN C[C@@H]1CN(Cc2cccc(Br)c2OC(F)F)[C@@H](C)CN1CCO ZINC000419346751 563238282 /nfs/dbraw/zinc/23/82/82/563238282.db2.gz VVTYCJFZOCLGGT-NEPJUHHUSA-N 0 1 393.272 2.937 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c(C)cc1Br ZINC000370298370 563239389 /nfs/dbraw/zinc/23/93/89/563239389.db2.gz ISILJLVRQDRJAC-GFCCVEGCSA-N 0 1 399.314 2.752 20 0 GFADMN O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1cc(Cl)ccc1C(F)(F)F ZINC000295310555 563241974 /nfs/dbraw/zinc/24/19/74/563241974.db2.gz OXBKNYXCMDBICV-UHFFFAOYSA-N 0 1 380.779 2.833 20 0 GFADMN CN1C(=O)N[C@@H]2CN(CCCC(=O)c3ccc(Br)cc3)CC[C@@H]21 ZINC000295346250 563242968 /nfs/dbraw/zinc/24/29/68/563242968.db2.gz NKIZOIZBDIRPOE-CABCVRRESA-N 0 1 380.286 2.510 20 0 GFADMN Cc1ccc(C(C)(C)NCc2ccc(S(N)(=O)=O)c(Br)c2)cn1 ZINC000419690949 563245973 /nfs/dbraw/zinc/24/59/73/563245973.db2.gz VTLBPSAJKRQYGZ-UHFFFAOYSA-N 0 1 398.326 2.825 20 0 GFADMN COCCO[C@@H]1C[C@H](CO)CN(CCOc2cc(Cl)ccc2Cl)C1 ZINC000278315802 563250245 /nfs/dbraw/zinc/25/02/45/563250245.db2.gz NAPFWCOERHYVNO-DZGCQCFKSA-N 0 1 378.296 2.718 20 0 GFADMN O=C(CSCc1ccc(Br)cc1)NCc1n[nH]c(C2CC2)n1 ZINC000295508160 563251070 /nfs/dbraw/zinc/25/10/70/563251070.db2.gz TXNSTHGPETTXOT-UHFFFAOYSA-N 0 1 381.299 2.994 20 0 GFADMN O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cc(Br)ccc1F ZINC000370757341 563254119 /nfs/dbraw/zinc/25/41/19/563254119.db2.gz HNERROGDSJATPB-MLGOLLRUSA-N 0 1 385.277 2.819 20 0 GFADMN O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc(Br)cc1F ZINC000370758241 563254162 /nfs/dbraw/zinc/25/41/62/563254162.db2.gz JXUHYQNFBSODGQ-LRDDRELGSA-N 0 1 385.277 2.819 20 0 GFADMN O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc(F)cc1Br ZINC000370760554 563254694 /nfs/dbraw/zinc/25/46/94/563254694.db2.gz RUMJHSVVQQPSMU-MLGOLLRUSA-N 0 1 385.277 2.819 20 0 GFADMN O=C(c1c(Cl)cccc1Cl)N1CCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000295655847 563256651 /nfs/dbraw/zinc/25/66/51/563256651.db2.gz ZSEZQFLWRUENFM-CYBMUJFWSA-N 0 1 384.307 2.668 20 0 GFADMN Cn1cc([C@H]2[C@H](CNC(=O)c3ccccc3Br)CCCN2C)cn1 ZINC000370928855 563260577 /nfs/dbraw/zinc/26/05/77/563260577.db2.gz QKYAOUBZMLMRAX-SUMWQHHRSA-N 0 1 391.313 2.996 20 0 GFADMN COC(=O)c1sc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(C)c1Cl ZINC000278668803 563265571 /nfs/dbraw/zinc/26/55/71/563265571.db2.gz FRUCLMQUNRUIHS-MWLCHTKSSA-N 0 1 394.946 2.600 20 0 GFADMN Brc1cc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc2c1OCCO2 ZINC000371334382 563273386 /nfs/dbraw/zinc/27/33/86/563273386.db2.gz GRDCBBNGLPHOPX-GFCCVEGCSA-N 0 1 379.258 2.718 20 0 GFADMN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CCN(C)[C@@H]4C3)s2)cs1 ZINC000371506681 563280200 /nfs/dbraw/zinc/28/02/00/563280200.db2.gz ULQHNCIGGOZAFN-GXTWGEPZSA-N 0 1 383.564 2.895 20 0 GFADMN Cc1nn(C)c(CNC2CCN(C(=O)OC(C)(C)C)CC2)c1Br ZINC000279020573 563280581 /nfs/dbraw/zinc/28/05/81/563280581.db2.gz AIPFPSPGCPYQBW-UHFFFAOYSA-N 0 1 387.322 2.980 20 0 GFADMN Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000371558326 563281590 /nfs/dbraw/zinc/28/15/90/563281590.db2.gz SPRGYWQUECJJLD-JKSUJKDBSA-N 0 1 382.302 2.820 20 0 GFADMN CCc1[nH]nc(C(=O)N2CC[C@H](OCc3ccncc3)C2)c1Br ZINC000279045064 563281761 /nfs/dbraw/zinc/28/17/61/563281761.db2.gz NYPIAPGXGOWSLR-LBPRGKRZSA-N 0 1 379.258 2.561 20 0 GFADMN CCOC(=O)C1(NC(=O)c2cccc(C)c2Br)CCN(C)CC1 ZINC000371700898 563285242 /nfs/dbraw/zinc/28/52/42/563285242.db2.gz QZVRILPTMOGTKZ-UHFFFAOYSA-N 0 1 383.286 2.515 20 0 GFADMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000296504280 563289781 /nfs/dbraw/zinc/28/97/81/563289781.db2.gz LSXSJXHDIZRLBC-ZDUSSCGKSA-N 0 1 384.307 2.668 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cc1Cl ZINC000371917373 563291424 /nfs/dbraw/zinc/29/14/24/563291424.db2.gz CDVNKOAESFCSST-UHFFFAOYSA-N 0 1 391.280 2.688 20 0 GFADMN COc1cc(NS(=O)(=O)C[C@@H](CC(C)C)OC)c(OC)c(C)c1OC ZINC000421146285 563297540 /nfs/dbraw/zinc/29/75/40/563297540.db2.gz BUDKUIZDLOLBDQ-CYBMUJFWSA-N 0 1 375.487 2.824 20 0 GFADMN O=S1(=O)CC[C@H](NC[C@H]2CCN(CC(F)(F)F)C2)c2cccc(F)c21 ZINC000372231078 563299892 /nfs/dbraw/zinc/29/98/92/563299892.db2.gz JNQMHOUISDXDDH-RISCZKNCSA-N 0 1 380.407 2.518 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1CCc2nc(C)ncc2C1 ZINC000372226652 563299984 /nfs/dbraw/zinc/29/99/84/563299984.db2.gz IBWREFXWSYFOTC-OAHLLOKOSA-N 0 1 379.913 2.879 20 0 GFADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cncc(SC)c3)cc2)CC1 ZINC000421232491 563302658 /nfs/dbraw/zinc/30/26/58/563302658.db2.gz 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563797171 /nfs/dbraw/zinc/79/71/71/563797171.db2.gz FVWPHFZITIOGAA-LBPRGKRZSA-N 0 1 383.315 2.811 20 0 GFADMN CCC(=O)NCc1cc(S(=O)(=O)Nc2nc(CC)cs2)ccc1OC ZINC000443417138 563804820 /nfs/dbraw/zinc/80/48/20/563804820.db2.gz OTTHTWSBNUQUMJ-UHFFFAOYSA-N 0 1 383.495 2.541 20 0 GFADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccc(Br)s1 ZINC000443741056 563811229 /nfs/dbraw/zinc/81/12/29/563811229.db2.gz AWFMQJVESSVCFR-SDDRHHMPSA-N 0 1 390.347 2.668 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443766276 563811873 /nfs/dbraw/zinc/81/18/73/563811873.db2.gz ULFIXOLATLHSOF-LKFCYVNXSA-N 0 1 393.734 2.864 20 0 GFADMN COc1nc(C)c(Br)cc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366604529 563815487 /nfs/dbraw/zinc/81/54/87/563815487.db2.gz TWHJYPTUXODWMA-UHFFFAOYSA-N 0 1 389.213 2.594 20 0 GFADMN O=C(Cc1ccc(F)cc1Br)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366617911 563816228 /nfs/dbraw/zinc/81/62/28/563816228.db2.gz IWTRDRAACAXXIX-UHFFFAOYSA-N 0 1 376.189 2.950 20 0 GFADMN 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20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000822223808 599304033 /nfs/dbraw/zinc/30/40/33/599304033.db2.gz LEHRASSDZXPNRY-UHFFFAOYSA-N 0 1 399.354 2.700 20 0 GFADMN FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000822723883 599440439 /nfs/dbraw/zinc/44/04/39/599440439.db2.gz RVMUDNJSGHAVOC-GFCCVEGCSA-N 0 1 378.358 2.847 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000819939543 599451417 /nfs/dbraw/zinc/45/14/17/599451417.db2.gz FZVGDPLFOAJHRH-TZMCWYRMSA-N 0 1 376.461 2.633 20 0 GFADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736238722 599478312 /nfs/dbraw/zinc/47/83/12/599478312.db2.gz ZQPBSLWFNRZEEV-XJKSGUPXSA-N 0 1 380.427 2.822 20 0 GFADMN O=C(/C=C\C1CCCCC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000822923759 599558589 /nfs/dbraw/zinc/55/85/89/599558589.db2.gz UAMNRZYAQLAXIA-TWGQIWQCSA-N 0 1 396.495 2.903 20 0 GFADMN CCCO[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000821128430 599574130 /nfs/dbraw/zinc/57/41/30/599574130.db2.gz SXCWYHCNWSIMGB-MRXNPFEDSA-N 0 1 383.456 2.698 20 0 GFADMN COc1ccccc1[C@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145035 599592625 /nfs/dbraw/zinc/59/26/25/599592625.db2.gz APKMRCWDXNZTIJ-ZBFHGGJFSA-N 0 1 392.463 2.692 20 0 GFADMN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nn[nH]n1)c1nnc[nH]1 ZINC000820397717 599692149 /nfs/dbraw/zinc/69/21/49/599692149.db2.gz RNVAEVSTEHXJQI-LLVKDONJSA-N 0 1 392.448 2.627 20 0 GFADMN COc1ccc(F)cc1CN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000738017829 599709696 /nfs/dbraw/zinc/70/96/96/599709696.db2.gz ORJLOZSRZRALRB-LJQANCHMSA-N 0 1 376.403 2.917 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000650504343 599753959 /nfs/dbraw/zinc/75/39/59/599753959.db2.gz JDSFTAKRHJVBII-CRAIPNDOSA-N 0 1 390.480 2.697 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)C1 ZINC000736792967 599770909 /nfs/dbraw/zinc/77/09/09/599770909.db2.gz IDXSASHXLHCOHF-CQSZACIVSA-N 0 1 392.477 2.688 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736810816 599827291 /nfs/dbraw/zinc/82/72/91/599827291.db2.gz VPYQBHQWPGWGCK-GJZGRUSLSA-N 0 1 377.485 2.713 20 0 GFADMN Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000521056195 599878388 /nfs/dbraw/zinc/87/83/88/599878388.db2.gz UUNACJLPKDDFKM-INIZCTEOSA-N 0 1 379.403 2.908 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCc3ccc(O)cc3CC1)CCC2 ZINC000739294866 599964131 /nfs/dbraw/zinc/96/41/31/599964131.db2.gz KOTDRIZKWVVOPJ-UHFFFAOYSA-N 0 1 386.473 2.680 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCc3ccc(O)cc3CC1)CCC2 ZINC000739294866 599964132 /nfs/dbraw/zinc/96/41/32/599964132.db2.gz KOTDRIZKWVVOPJ-UHFFFAOYSA-N 0 1 386.473 2.680 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000737528334 599984565 /nfs/dbraw/zinc/98/45/65/599984565.db2.gz FKSRYUXBKGMKDG-NRFANRHFSA-N 0 1 395.503 2.770 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000574763006 600004347 /nfs/dbraw/zinc/00/43/47/600004347.db2.gz FJHGQUNYGRUXBZ-FPOVZHCZSA-N 0 1 399.487 2.538 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000574763006 600004349 /nfs/dbraw/zinc/00/43/49/600004349.db2.gz FJHGQUNYGRUXBZ-FPOVZHCZSA-N 0 1 399.487 2.538 20 0 GFADMN COc1ccc(C[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000738003966 600049333 /nfs/dbraw/zinc/04/93/33/600049333.db2.gz LYIBRYCRJGBEBP-OAQYLSRUSA-N 0 1 394.471 2.698 20 0 GFADMN COc1ccc(C[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000738003966 600049335 /nfs/dbraw/zinc/04/93/35/600049335.db2.gz LYIBRYCRJGBEBP-OAQYLSRUSA-N 0 1 394.471 2.698 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(C)c1C(=O)[O-] ZINC000738229638 600087424 /nfs/dbraw/zinc/08/74/24/600087424.db2.gz LSBSVIRQQWIWRW-ZACQAIPSSA-N 0 1 381.476 2.969 20 0 GFADMN Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])n1 ZINC000738368523 600095328 /nfs/dbraw/zinc/09/53/28/600095328.db2.gz GBORVYCJUQZECH-QGZVFWFLSA-N 0 1 384.480 2.716 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000737868646 600112124 /nfs/dbraw/zinc/11/21/24/600112124.db2.gz VKHXMQFZJUIZAM-IUODEOHRSA-N 0 1 394.493 2.899 20 0 GFADMN CC[C@@]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736914986 600132141 /nfs/dbraw/zinc/13/21/41/600132141.db2.gz ALIRAZGQSIBAMK-JPYJTQIMSA-N 0 1 395.503 2.609 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H](C)C1 ZINC000737168920 600182202 /nfs/dbraw/zinc/18/22/02/600182202.db2.gz YCAHSRIPVPLADF-DYVFJYSZSA-N 0 1 381.448 2.782 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000737283863 600235916 /nfs/dbraw/zinc/23/59/16/600235916.db2.gz BLLHHCJDWMAWOR-ZDUSSCGKSA-N 0 1 397.884 2.823 20 0 GFADMN C[C@@H](c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000659754736 600251319 /nfs/dbraw/zinc/25/13/19/600251319.db2.gz AEIKNHCEPAFONQ-HNNXBMFYSA-N 0 1 384.432 2.796 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000736457256 600291893 /nfs/dbraw/zinc/29/18/93/600291893.db2.gz GNUWLAYOXSOOLN-UHFFFAOYSA-N 0 1 391.497 2.717 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(CNC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408898 600357807 /nfs/dbraw/zinc/35/78/07/600357807.db2.gz POSYOQGFPVDWNH-KRWDZBQOSA-N 0 1 398.467 2.652 20 0 GFADMN COc1ccc(C2=NN(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000737982428 600366727 /nfs/dbraw/zinc/36/67/27/600366727.db2.gz OOJOGDZMRJLEIQ-RDTXWAMCSA-N 0 1 399.447 2.618 20 0 GFADMN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000738734803 600377203 /nfs/dbraw/zinc/37/72/03/600377203.db2.gz NLWYORUGDVVDNT-OAHLLOKOSA-N 0 1 383.448 2.838 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)CCNC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000737514031 600390235 /nfs/dbraw/zinc/39/02/35/600390235.db2.gz CPTCSVBWPBHAMO-XJKSGUPXSA-N 0 1 387.402 2.862 20 0 GFADMN CCCC[N@@H+](C)CC1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000736993041 600395457 /nfs/dbraw/zinc/39/54/57/600395457.db2.gz URWLXLQDTTUEHG-UHFFFAOYSA-N 0 1 386.496 2.978 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000736941663 600417198 /nfs/dbraw/zinc/41/71/98/600417198.db2.gz ZWGZIZZTZOXVQS-CQSZACIVSA-N 0 1 390.484 2.732 20 0 GFADMN O=C([O-])c1ccc(-c2nc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cs2)cc1 ZINC000740096766 600430124 /nfs/dbraw/zinc/43/01/24/600430124.db2.gz DKEJGPBLJPDZIK-GOSISDBHSA-N 0 1 387.505 2.805 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000738458874 600430719 /nfs/dbraw/zinc/43/07/19/600430719.db2.gz DICJGDJAEFRIKT-UHFFFAOYSA-N 0 1 376.416 2.989 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000738458874 600430721 /nfs/dbraw/zinc/43/07/21/600430721.db2.gz DICJGDJAEFRIKT-UHFFFAOYSA-N 0 1 376.416 2.989 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])C(C)C)cc1OC ZINC000737985990 600445236 /nfs/dbraw/zinc/44/52/36/600445236.db2.gz JJZCLGCDQPLHFM-MRXNPFEDSA-N 0 1 378.469 2.552 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000737407667 600448023 /nfs/dbraw/zinc/44/80/23/600448023.db2.gz DHSXHMNHNVKWEG-NRFANRHFSA-N 0 1 398.503 2.721 20 0 GFADMN CN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000737407667 600448026 /nfs/dbraw/zinc/44/80/26/600448026.db2.gz DHSXHMNHNVKWEG-NRFANRHFSA-N 0 1 398.503 2.721 20 0 GFADMN CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1nccs1 ZINC000736920508 600453275 /nfs/dbraw/zinc/45/32/75/600453275.db2.gz VAXQHOVRUDHWBP-QMTHXVAHSA-N 0 1 391.449 2.696 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000737865995 600454655 /nfs/dbraw/zinc/45/46/55/600454655.db2.gz LWMWUFUYIOFJEU-RTBURBONSA-N 0 1 385.460 2.622 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000737861942 600471729 /nfs/dbraw/zinc/47/17/29/600471729.db2.gz HHXHLXYKSGZOQN-CJNGLKHVSA-N 0 1 389.423 2.892 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000737861942 600471731 /nfs/dbraw/zinc/47/17/31/600471731.db2.gz HHXHLXYKSGZOQN-CJNGLKHVSA-N 0 1 389.423 2.892 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000736809959 600475444 /nfs/dbraw/zinc/47/54/44/600475444.db2.gz MMHJBDRPLGFKNR-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000736809959 600475447 /nfs/dbraw/zinc/47/54/47/600475447.db2.gz MMHJBDRPLGFKNR-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN COCC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000737752171 600501723 /nfs/dbraw/zinc/50/17/23/600501723.db2.gz URDXDUSOGJHMFW-LBPRGKRZSA-N 0 1 380.510 2.868 20 0 GFADMN C[C@@H]1CCN(C(=O)C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c2ccccc2S1 ZINC000736791958 600508988 /nfs/dbraw/zinc/50/89/88/600508988.db2.gz QFCRNLMOXAIFJK-HZPDHXFCSA-N 0 1 392.521 2.860 20 0 GFADMN C[C@@H]1CCN(C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c2ccccc2S1 ZINC000736791958 600508991 /nfs/dbraw/zinc/50/89/91/600508991.db2.gz QFCRNLMOXAIFJK-HZPDHXFCSA-N 0 1 392.521 2.860 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCCO1 ZINC000739715957 600514240 /nfs/dbraw/zinc/51/42/40/600514240.db2.gz AODXTWKPQHNZID-GFCCVEGCSA-N 0 1 375.252 2.888 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCCO1 ZINC000739715957 600514242 /nfs/dbraw/zinc/51/42/42/600514242.db2.gz AODXTWKPQHNZID-GFCCVEGCSA-N 0 1 375.252 2.888 20 0 GFADMN O=C([O-])c1ccc(CCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739430440 600527340 /nfs/dbraw/zinc/52/73/40/600527340.db2.gz OQASUXGDVXKUGO-FQEVSTJZSA-N 0 1 381.476 2.891 20 0 GFADMN Cc1ccc(N2CCC(C(=O)Nc3nnc(CCCC(=O)[O-])s3)CC2)[nH+]c1 ZINC000738613273 600537275 /nfs/dbraw/zinc/53/72/75/600537275.db2.gz GTHVVGVDKVDWSH-UHFFFAOYSA-N 0 1 389.481 2.504 20 0 GFADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000739626578 600542369 /nfs/dbraw/zinc/54/23/69/600542369.db2.gz SRZIWJLALGLVFR-DISPHTKASA-N 0 1 382.432 2.993 20 0 GFADMN CC[C@](C)([NH2+]CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000736861612 600560137 /nfs/dbraw/zinc/56/01/37/600560137.db2.gz PUHYQCALFAMJFU-UTKZUKDTSA-N 0 1 399.447 2.809 20 0 GFADMN O=C([O-])c1cccc(NC(=O)COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000739319661 600580022 /nfs/dbraw/zinc/58/00/22/600580022.db2.gz JIPUUJROSWLJBU-SFHVURJKSA-N 0 1 396.443 2.779 20 0 GFADMN C[C@H](C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000736206712 600585633 /nfs/dbraw/zinc/58/56/33/600585633.db2.gz XUWUQKTYZAMOIS-ZWKOTPCHSA-N 0 1 395.503 2.942 20 0 GFADMN COC(=O)c1ccc(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000831411312 600655128 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ZINC000740152954 602696589 /nfs/dbraw/zinc/69/65/89/602696589.db2.gz IIEAGXUMDBYQEA-CJNGLKHVSA-N 0 1 386.477 2.667 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000739003419 602700702 /nfs/dbraw/zinc/70/07/02/602700702.db2.gz IRNRQVRBQBZSTM-APWZRJJASA-N 0 1 388.512 2.729 20 0 GFADMN O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740428257 602708671 /nfs/dbraw/zinc/70/86/71/602708671.db2.gz PENNGIWUIAODIN-RTBURBONSA-N 0 1 388.512 2.588 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730292 602718832 /nfs/dbraw/zinc/71/88/32/602718832.db2.gz VDCLOBOFQHMKKU-YXJHDRRASA-N 0 1 375.444 2.785 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730292 602718834 /nfs/dbraw/zinc/71/88/34/602718834.db2.gz VDCLOBOFQHMKKU-YXJHDRRASA-N 0 1 375.444 2.785 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739507521 602790918 /nfs/dbraw/zinc/79/09/18/602790918.db2.gz UULCOGCGLJPRGS-PVAVHDDUSA-N 0 1 377.485 2.631 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739507521 602790921 /nfs/dbraw/zinc/79/09/21/602790921.db2.gz UULCOGCGLJPRGS-PVAVHDDUSA-N 0 1 377.485 2.631 20 0 GFADMN C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739175165 602793658 /nfs/dbraw/zinc/79/36/58/602793658.db2.gz JRUVFHKIEGYQKB-BYCMXARLSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739175165 602793661 /nfs/dbraw/zinc/79/36/61/602793661.db2.gz JRUVFHKIEGYQKB-BYCMXARLSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739181557 602796818 /nfs/dbraw/zinc/79/68/18/602796818.db2.gz SAFBPXMTZVREAV-JTNHKYCSSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000739189761 602801014 /nfs/dbraw/zinc/80/10/14/602801014.db2.gz NBQDVVKWNYGRPS-OAHLLOKOSA-N 0 1 387.484 2.669 20 0 GFADMN CC(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NC(=O)[O-] ZINC000738785127 602804134 /nfs/dbraw/zinc/80/41/34/602804134.db2.gz IQOQEEWGLXAONA-IPQPSQTFSA-N 0 1 388.512 2.773 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739131056 602824204 /nfs/dbraw/zinc/82/42/04/602824204.db2.gz BIHJBFULXKOSAV-QRQLOZEOSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739144935 602922659 /nfs/dbraw/zinc/92/26/59/602922659.db2.gz IGNDRXOLSQRQCL-RVKKMQEKSA-N 0 1 390.484 2.590 20 0 GFADMN CC[NH+]1CCN(c2ccc(-c3nc([C@H](C)CN(C)C(=O)[O-])no3)cc2F)CC1 ZINC000739462211 603023237 /nfs/dbraw/zinc/02/32/37/603023237.db2.gz WVJDZADVAGPYTR-CYBMUJFWSA-N 0 1 391.447 2.731 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000739170627 603034414 /nfs/dbraw/zinc/03/44/14/603034414.db2.gz AXNVIUCNCCZFJX-VXGBXAGGSA-N 0 1 382.436 2.925 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739103788 603078172 /nfs/dbraw/zinc/07/81/72/603078172.db2.gz LFLQZFHTMRJCJA-HNAYVOBHSA-N 0 1 388.512 2.906 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738513229 603079105 /nfs/dbraw/zinc/07/91/05/603079105.db2.gz OYTWWUACXANGQE-IRXDYDNUSA-N 0 1 392.500 2.611 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000740555633 603105149 /nfs/dbraw/zinc/10/51/49/603105149.db2.gz XGXABGUKTDRONK-UHFFFAOYSA-N 0 1 392.475 2.622 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000740555633 603105150 /nfs/dbraw/zinc/10/51/50/603105150.db2.gz XGXABGUKTDRONK-UHFFFAOYSA-N 0 1 392.475 2.622 20 0 GFADMN COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3CCCN(C(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000738095055 603148274 /nfs/dbraw/zinc/14/82/74/603148274.db2.gz ZVTPRVJDFIMEOW-JFIYKMOQSA-N 0 1 376.453 2.621 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739908411 603236261 /nfs/dbraw/zinc/23/62/61/603236261.db2.gz RVJHCPDFJGKTSE-ZWKOTPCHSA-N 0 1 389.496 2.556 20 0 GFADMN CC(=O)N(c1nc(C[NH2+][C@@]2(CNC(=O)[O-])CCCC[C@H]2C)cs1)C1CC1 ZINC000738515452 603237238 /nfs/dbraw/zinc/23/72/38/603237238.db2.gz WXUDROSGBFLPQZ-KZULUSFZSA-N 0 1 380.514 2.965 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000740631161 603246834 /nfs/dbraw/zinc/24/68/34/603246834.db2.gz IISWIOARJOOPOE-LBPRGKRZSA-N 0 1 384.274 2.757 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000740565577 603250493 /nfs/dbraw/zinc/25/04/93/603250493.db2.gz ROSWKAVPMMVQND-HKUYNNGSSA-N 0 1 385.508 2.862 20 0 GFADMN COc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1NC(=O)[O-] ZINC000829459490 603270855 /nfs/dbraw/zinc/27/08/55/603270855.db2.gz CTWPQLFWFGSSLA-OAHLLOKOSA-N 0 1 392.456 2.504 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000740700142 603291324 /nfs/dbraw/zinc/29/13/24/603291324.db2.gz QUDRFZCPBQGYHJ-AWEZNQCLSA-N 0 1 381.860 2.757 20 0 GFADMN CN(CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1)C(=O)[O-] ZINC000739648471 603307142 /nfs/dbraw/zinc/30/71/42/603307142.db2.gz HBRPSBABUZFXCT-LJQANCHMSA-N 0 1 388.512 2.682 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000740678677 603323283 /nfs/dbraw/zinc/32/32/83/603323283.db2.gz UOPAWIAYNADKLW-UHFFFAOYSA-N 0 1 382.464 2.846 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000830818419 603375533 /nfs/dbraw/zinc/37/55/33/603375533.db2.gz LCMLLDKUNOBMJF-KUHUBIRLSA-N 0 1 393.447 2.837 20 0 GFADMN Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1NC(=O)[O-] ZINC000830191824 603408412 /nfs/dbraw/zinc/40/84/12/603408412.db2.gz FAAOWMIAJFWFNA-BFYDXBDKSA-N 0 1 375.469 2.799 20 0 GFADMN C[C@H]1C[C@H](NC(=O)N2CCC(N(C)C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794338 603486182 /nfs/dbraw/zinc/48/61/82/603486182.db2.gz JFIYMHWRHGGWKF-FUHWJXTLSA-N 0 1 388.512 2.823 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827835406 603487620 /nfs/dbraw/zinc/48/76/20/603487620.db2.gz KSWBBNNWBIRCCY-SFHVURJKSA-N 0 1 377.460 2.781 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827835406 603487622 /nfs/dbraw/zinc/48/76/22/603487622.db2.gz KSWBBNNWBIRCCY-SFHVURJKSA-N 0 1 377.460 2.781 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000827835405 603487699 /nfs/dbraw/zinc/48/76/99/603487699.db2.gz KSWBBNNWBIRCCY-GOSISDBHSA-N 0 1 377.460 2.781 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000827835405 603487702 /nfs/dbraw/zinc/48/77/02/603487702.db2.gz KSWBBNNWBIRCCY-GOSISDBHSA-N 0 1 377.460 2.781 20 0 GFADMN C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828161408 603494831 /nfs/dbraw/zinc/49/48/31/603494831.db2.gz FYNPWRTWZCLSFO-WOJBJXKFSA-N 0 1 384.476 2.838 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000831572779 603499519 /nfs/dbraw/zinc/49/95/19/603499519.db2.gz GVPDGOIFWDKLHS-FBVQUNGASA-N 0 1 375.444 2.580 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000831572779 603499521 /nfs/dbraw/zinc/49/95/21/603499521.db2.gz GVPDGOIFWDKLHS-FBVQUNGASA-N 0 1 375.444 2.580 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C2 ZINC000831572781 603499886 /nfs/dbraw/zinc/49/98/86/603499886.db2.gz GVPDGOIFWDKLHS-HQSKLWIPSA-N 0 1 375.444 2.580 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C2 ZINC000831572781 603499891 /nfs/dbraw/zinc/49/98/91/603499891.db2.gz GVPDGOIFWDKLHS-HQSKLWIPSA-N 0 1 375.444 2.580 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000827354464 603530496 /nfs/dbraw/zinc/53/04/96/603530496.db2.gz BQWMJWXGXXPHDJ-UKRRQHHQSA-N 0 1 387.436 2.996 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000827354464 603530500 /nfs/dbraw/zinc/53/05/00/603530500.db2.gz BQWMJWXGXXPHDJ-UKRRQHHQSA-N 0 1 387.436 2.996 20 0 GFADMN CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000824256601 603761207 /nfs/dbraw/zinc/76/12/07/603761207.db2.gz FNQZVJQZOFUHGZ-GOSISDBHSA-N 0 1 387.524 2.792 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000828259147 603773586 /nfs/dbraw/zinc/77/35/86/603773586.db2.gz JAQCBOZFUSHNBZ-RBUKOAKNSA-N 0 1 388.512 2.540 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cn1 ZINC000830818085 603853008 /nfs/dbraw/zinc/85/30/08/603853008.db2.gz GIXCIHUGZILQAI-ALOPSCKCSA-N 0 1 383.452 2.503 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000825416130 603863730 /nfs/dbraw/zinc/86/37/30/603863730.db2.gz JURXRONSVSISRP-BTYIYWSLSA-N 0 1 383.448 2.591 20 0 GFADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)C1 ZINC000828168706 603899766 /nfs/dbraw/zinc/89/97/66/603899766.db2.gz KLVULLMCWIUSAJ-AEFFLSMTSA-N 0 1 380.533 2.576 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828406915 603915612 /nfs/dbraw/zinc/91/56/12/603915612.db2.gz JODGUCJKQBVVNK-FQEVSTJZSA-N 0 1 389.427 2.620 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828406915 603915615 /nfs/dbraw/zinc/91/56/15/603915615.db2.gz JODGUCJKQBVVNK-FQEVSTJZSA-N 0 1 389.427 2.620 20 0 GFADMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826049635 603973569 /nfs/dbraw/zinc/97/35/69/603973569.db2.gz NTRSTIJRPOJOGF-KDOFPFPSSA-N 0 1 384.480 2.512 20 0 GFADMN CCN(Cc1cccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)c1)C(=O)[O-] ZINC000827171135 604013018 /nfs/dbraw/zinc/01/30/18/604013018.db2.gz MKJHHZNPQZRWMS-UHFFFAOYSA-N 0 1 392.500 2.761 20 0 GFADMN C[C@@H](NC(=O)[O-])C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000825171893 604021142 /nfs/dbraw/zinc/02/11/42/604021142.db2.gz PDADFMQGIZPYKZ-UKRRQHHQSA-N 0 1 387.402 2.556 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000831282140 604030008 /nfs/dbraw/zinc/03/00/08/604030008.db2.gz BMWZJLPXYLXRIR-QRQLOZEOSA-N 0 1 389.471 2.781 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825950825 604031838 /nfs/dbraw/zinc/03/18/38/604031838.db2.gz MCNIAMRNYSKXTR-HKUYNNGSSA-N 0 1 388.512 2.682 20 0 GFADMN COc1ccc2c(c1)CCC[N@H+](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])C2 ZINC000829522041 604049164 /nfs/dbraw/zinc/04/91/64/604049164.db2.gz VEALBMBHBFYZKL-SFTDATJTSA-N 0 1 384.476 2.683 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2CCN(C(=O)[O-])CC2)cc1 ZINC000830818825 604141005 /nfs/dbraw/zinc/14/10/05/604141005.db2.gz QMUKIMFXVRYRCY-CQSZACIVSA-N 0 1 385.468 2.931 20 0 GFADMN 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C[C@@H](CCNC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000833817387 605528329 /nfs/dbraw/zinc/52/83/29/605528329.db2.gz OCEPHOHWRCFTBJ-BQFCYCMXSA-N 0 1 376.501 2.585 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000831298244 605538472 /nfs/dbraw/zinc/53/84/72/605538472.db2.gz FRGPOZOGKCUDCS-CTCRWWMUSA-N 0 1 375.513 2.773 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000824785970 605556315 /nfs/dbraw/zinc/55/63/15/605556315.db2.gz ISALUAIDDWNSIN-JFIYKMOQSA-N 0 1 376.501 2.727 20 0 GFADMN O=C([O-])N1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000834021608 605572821 /nfs/dbraw/zinc/57/28/21/605572821.db2.gz MUEMHZQQWKDCSB-SLFFLAALSA-N 0 1 385.508 2.793 20 0 GFADMN O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000834030981 605574245 /nfs/dbraw/zinc/57/42/45/605574245.db2.gz YKPHTQMQFSAXHZ-PBHICJAKSA-N 0 1 378.448 2.802 20 0 GFADMN Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1NC(=O)[O-] ZINC000829947090 605575917 /nfs/dbraw/zinc/57/59/17/605575917.db2.gz VELMXDZVZKADNJ-UHFFFAOYSA-N 0 1 375.469 2.850 20 0 GFADMN O=C([O-])NC[C@@H](Nc1nc(N2CCOCC2)cc[nH+]1)c1ccc2ccccc2c1 ZINC000834205863 605627580 /nfs/dbraw/zinc/62/75/80/605627580.db2.gz DURZYWIXFVMYNU-GOSISDBHSA-N 0 1 393.447 2.887 20 0 GFADMN O=C([O-])NC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000834207298 605670049 /nfs/dbraw/zinc/67/00/49/605670049.db2.gz UGUUKRMOFAXWFZ-RTBURBONSA-N 0 1 382.464 2.638 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825790433 605672463 /nfs/dbraw/zinc/67/24/63/605672463.db2.gz VGERDBWYOMKJAJ-KBAYOESNSA-N 0 1 391.537 2.641 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000834028447 605685983 /nfs/dbraw/zinc/68/59/83/605685983.db2.gz OEZFSOLKHBOYCK-FFGOWVMKSA-N 0 1 385.508 2.761 20 0 GFADMN C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833547864 605870039 /nfs/dbraw/zinc/87/00/39/605870039.db2.gz FKJUTPXPOCHYJP-MGPUTAFESA-N 0 1 379.460 2.973 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000833830181 605880991 /nfs/dbraw/zinc/88/09/91/605880991.db2.gz JZSFMEMVQQTPSD-YPMHNXCESA-N 0 1 388.295 2.930 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000833835241 605907770 /nfs/dbraw/zinc/90/77/70/605907770.db2.gz WOTPILCEWNZYEA-CABCVRRESA-N 0 1 382.526 2.736 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000833835241 605907773 /nfs/dbraw/zinc/90/77/73/605907773.db2.gz WOTPILCEWNZYEA-CABCVRRESA-N 0 1 382.526 2.736 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000740594908 605934316 /nfs/dbraw/zinc/93/43/16/605934316.db2.gz RKYFCPWEELHFJX-KXBFYZLASA-N 0 1 385.489 2.564 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000740594908 605934319 /nfs/dbraw/zinc/93/43/19/605934319.db2.gz RKYFCPWEELHFJX-KXBFYZLASA-N 0 1 385.489 2.564 20 0 GFADMN C[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)[O-])CC1 ZINC000833871791 605996972 /nfs/dbraw/zinc/99/69/72/605996972.db2.gz AASMBXSPQOTYOI-UHFFFAOYSA-N 0 1 387.480 2.917 20 0 GFADMN O=C([O-])N[C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000834135468 606002065 /nfs/dbraw/zinc/00/20/65/606002065.db2.gz YPZMJORKKVYFFR-KRWDZBQOSA-N 0 1 391.418 2.775 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cccc(-c5nnn[n-]5)n4)C3)C2)cc1 ZINC000823779686 606141929 /nfs/dbraw/zinc/14/19/29/606141929.db2.gz GYWYTSOUYXAURB-NRFANRHFSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cccc(-c5nnn[n-]5)n4)C3)C2)cc1 ZINC000823779686 606141930 /nfs/dbraw/zinc/14/19/30/606141930.db2.gz GYWYTSOUYXAURB-NRFANRHFSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cccc(-c5nn[n-]n5)n4)C3)C2)cc1 ZINC000823779686 606141931 /nfs/dbraw/zinc/14/19/31/606141931.db2.gz GYWYTSOUYXAURB-NRFANRHFSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cccc(-c5nn[n-]n5)n4)C3)C2)cc1 ZINC000823779686 606141932 /nfs/dbraw/zinc/14/19/32/606141932.db2.gz GYWYTSOUYXAURB-NRFANRHFSA-N 0 1 375.480 2.754 20 0 GFADMN O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396441 606179592 /nfs/dbraw/zinc/17/95/92/606179592.db2.gz JMXDFARTVFZIDF-HNNXBMFYSA-N 0 1 383.477 2.997 20 0 GFADMN O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396441 606179594 /nfs/dbraw/zinc/17/95/94/606179594.db2.gz JMXDFARTVFZIDF-HNNXBMFYSA-N 0 1 383.477 2.997 20 0 GFADMN O=C(OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396441 606179596 /nfs/dbraw/zinc/17/95/96/606179596.db2.gz JMXDFARTVFZIDF-HNNXBMFYSA-N 0 1 383.477 2.997 20 0 GFADMN O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396441 606179598 /nfs/dbraw/zinc/17/95/98/606179598.db2.gz JMXDFARTVFZIDF-HNNXBMFYSA-N 0 1 383.477 2.997 20 0 GFADMN CCC[C@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000821015657 606224488 /nfs/dbraw/zinc/22/44/88/606224488.db2.gz RUXCKYZUZYUKJD-ZETCQYMHSA-N 0 1 391.375 2.810 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000821649717 606322257 /nfs/dbraw/zinc/32/22/57/606322257.db2.gz BUAQMICPOUJAHE-JVPBZIDWSA-N 0 1 377.448 2.959 20 0 GFADMN COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821693786 606409232 /nfs/dbraw/zinc/40/92/32/606409232.db2.gz NOGQHEMCLHIYEG-LBPRGKRZSA-N 0 1 389.481 2.813 20 0 GFADMN COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821693786 606409234 /nfs/dbraw/zinc/40/92/34/606409234.db2.gz NOGQHEMCLHIYEG-LBPRGKRZSA-N 0 1 389.481 2.813 20 0 GFADMN COc1ccc(C2(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCOCC2)cc1 ZINC000821782264 606413180 /nfs/dbraw/zinc/41/31/80/606413180.db2.gz CIBINDNZRLUGIX-UHFFFAOYSA-N 0 1 385.493 2.775 20 0 GFADMN COc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCOCC2)cc1 ZINC000821782264 606413181 /nfs/dbraw/zinc/41/31/81/606413181.db2.gz CIBINDNZRLUGIX-UHFFFAOYSA-N 0 1 385.493 2.775 20 0 GFADMN Fc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cc1F ZINC000822778749 606413462 /nfs/dbraw/zinc/41/34/62/606413462.db2.gz NTFDPUNCSPZLQM-LLVKDONJSA-N 0 1 376.436 2.823 20 0 GFADMN Fc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cc1F ZINC000822778749 606413464 /nfs/dbraw/zinc/41/34/64/606413464.db2.gz NTFDPUNCSPZLQM-LLVKDONJSA-N 0 1 376.436 2.823 20 0 GFADMN FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000822737243 606420481 /nfs/dbraw/zinc/42/04/81/606420481.db2.gz RQMPCCYPEKAULQ-LLVKDONJSA-N 0 1 392.435 2.898 20 0 GFADMN FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000822737243 606420483 /nfs/dbraw/zinc/42/04/83/606420483.db2.gz RQMPCCYPEKAULQ-LLVKDONJSA-N 0 1 392.435 2.898 20 0 GFADMN CN(C)Cc1ccc(NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821588211 606436943 /nfs/dbraw/zinc/43/69/43/606436943.db2.gz HHIYBWHWXCXLST-UHFFFAOYSA-N 0 1 386.456 2.798 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000820758988 606515925 /nfs/dbraw/zinc/51/59/25/606515925.db2.gz GMASVQODXVIAEG-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821586417 606538331 /nfs/dbraw/zinc/53/83/31/606538331.db2.gz XHXLZNSEENOTOX-UHFFFAOYSA-N 0 1 390.900 2.786 20 0 GFADMN C[C@@H](NC(=O)Cc1cccc(-c2nn[nH]n2)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000820334532 606558094 /nfs/dbraw/zinc/55/80/94/606558094.db2.gz NDIJDFCYVIHEHN-SNVBAGLBSA-N 0 1 381.827 2.816 20 0 GFADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197879 606578860 /nfs/dbraw/zinc/57/88/60/606578860.db2.gz MYCCHJLJUIPSTG-INIZCTEOSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197879 606578862 /nfs/dbraw/zinc/57/88/62/606578862.db2.gz MYCCHJLJUIPSTG-INIZCTEOSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197879 606578864 /nfs/dbraw/zinc/57/88/64/606578864.db2.gz MYCCHJLJUIPSTG-INIZCTEOSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197879 606578866 /nfs/dbraw/zinc/57/88/66/606578866.db2.gz MYCCHJLJUIPSTG-INIZCTEOSA-N 0 1 396.520 2.912 20 0 GFADMN Cc1cc(CC(=O)Nc2ccc(Oc3ccc(-c4nn[nH]n4)cc3)cc2)n[nH]1 ZINC000822200074 606674653 /nfs/dbraw/zinc/67/46/53/606674653.db2.gz SRRFZPYKVSTIAI-UHFFFAOYSA-N 0 1 375.392 2.872 20 0 GFADMN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229615 606716418 /nfs/dbraw/zinc/71/64/18/606716418.db2.gz YAUWUHUXGJDZIK-FZKQIMNGSA-N 0 1 380.427 2.770 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@](C)(c2ccccc2)C1 ZINC000819866564 606717076 /nfs/dbraw/zinc/71/70/76/606717076.db2.gz NYZBIFCAJIFDRD-VFNWGFHPSA-N 0 1 376.464 2.857 20 0 GFADMN CN(Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821607670 607066004 /nfs/dbraw/zinc/06/60/04/607066004.db2.gz YVKSJIYBXGKBBY-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821128164 607112534 /nfs/dbraw/zinc/11/25/34/607112534.db2.gz QSVGHYACDDJNNF-UHFFFAOYSA-N 0 1 377.401 2.595 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586076 607114155 /nfs/dbraw/zinc/11/41/55/607114155.db2.gz IPRPOQWZYQGWGQ-UHFFFAOYSA-N 0 1 393.829 2.762 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821586076 607114156 /nfs/dbraw/zinc/11/41/56/607114156.db2.gz IPRPOQWZYQGWGQ-UHFFFAOYSA-N 0 1 393.829 2.762 20 0 GFADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000737281404 607155108 /nfs/dbraw/zinc/15/51/08/607155108.db2.gz XOPWFPAFQUOBLT-QGZVFWFLSA-N 0 1 395.467 2.887 20 0 GFADMN CC[C@H](C)[C@@H](C)N(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000825059633 607828018 /nfs/dbraw/zinc/82/80/18/607828018.db2.gz HZRNPSRMNZDGDL-UONOGXRCSA-N 0 1 377.514 2.539 20 0 GFADMN CC1(C)CCC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000824803823 607881574 /nfs/dbraw/zinc/88/15/74/607881574.db2.gz XOCMIPKZUSGIPB-CQSZACIVSA-N 0 1 399.499 2.597 20 0 GFADMN c1cc(Nc2cccc(-c3nn[n-]n3)n2)cc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000826517649 607897673 /nfs/dbraw/zinc/89/76/73/607897673.db2.gz KJDFOFJXMDKFIQ-UHFFFAOYSA-N 0 1 376.468 2.537 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H](C)O1 ZINC000824983946 607988330 /nfs/dbraw/zinc/98/83/30/607988330.db2.gz DMQWJOYHKDYUSW-VXGBXAGGSA-N 0 1 395.305 2.540 20 0 GFADMN CN(Cc1ccc(Cl)c(F)c1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825965680 608105798 /nfs/dbraw/zinc/10/57/98/608105798.db2.gz BXHWTHJMEZCYBP-AWEZNQCLSA-N 0 1 391.834 2.531 20 0 GFADMN Cc1cc(C)cc([C@H]2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826264064 608128349 /nfs/dbraw/zinc/12/83/49/608128349.db2.gz ARNOAABJLSHKBN-IBGZPJMESA-N 0 1 390.491 2.589 20 0 GFADMN CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825435277 608153213 /nfs/dbraw/zinc/15/32/13/608153213.db2.gz RUVHWNQVNLZHPP-AWEZNQCLSA-N 0 1 380.452 2.724 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC000824957290 608180212 /nfs/dbraw/zinc/18/02/12/608180212.db2.gz WZMTUMKVVBYTCE-LBPRGKRZSA-N 0 1 381.937 2.925 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC000824957290 608180214 /nfs/dbraw/zinc/18/02/14/608180214.db2.gz WZMTUMKVVBYTCE-LBPRGKRZSA-N 0 1 381.937 2.925 20 0 GFADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010460 608190279 /nfs/dbraw/zinc/19/02/79/608190279.db2.gz JYTAXWXIGPMBNN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826010460 608190281 /nfs/dbraw/zinc/19/02/81/608190281.db2.gz JYTAXWXIGPMBNN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010460 608190283 /nfs/dbraw/zinc/19/02/83/608190283.db2.gz JYTAXWXIGPMBNN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826010460 608190285 /nfs/dbraw/zinc/19/02/85/608190285.db2.gz JYTAXWXIGPMBNN-GFCCVEGCSA-N 0 1 375.889 2.687 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)CCN1C ZINC000824859263 608202000 /nfs/dbraw/zinc/20/20/00/608202000.db2.gz OYLBLUNUPMPJEN-CABCVRRESA-N 0 1 392.463 2.824 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000825740182 608204568 /nfs/dbraw/zinc/20/45/68/608204568.db2.gz QBNJSSMGYACBME-GFCCVEGCSA-N 0 1 388.435 2.705 20 0 GFADMN CN1CCO[C@H]([C@H](NCc2cccc(-c3nn[nH]n3)c2)c2ccc(Cl)cc2)C1 ZINC000826044880 608242960 /nfs/dbraw/zinc/24/29/60/608242960.db2.gz LPWIYGGQJIPYJP-RBUKOAKNSA-N 0 1 398.898 2.682 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H](C[C@H]4CCOC4)C3)o2)c1 ZINC000826512890 608326639 /nfs/dbraw/zinc/32/66/39/608326639.db2.gz SMYMRZSBLOWIHY-HUUCEWRRSA-N 0 1 395.467 2.555 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(Cc2ccccc2C)CC1 ZINC000826169339 608353064 /nfs/dbraw/zinc/35/30/64/608353064.db2.gz PRHIUHOMJSNSDG-UHFFFAOYSA-N 0 1 378.480 2.502 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(Cc2cccc(C)c2)CC1 ZINC000826169504 608353737 /nfs/dbraw/zinc/35/37/37/608353737.db2.gz VEKRDNTVZDTDPG-UHFFFAOYSA-N 0 1 378.480 2.502 20 0 GFADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](C(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826233385 608382961 /nfs/dbraw/zinc/38/29/61/608382961.db2.gz FMLKIJRZPLVSCV-UHFFFAOYSA-N 0 1 399.499 2.984 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824875051 608399310 /nfs/dbraw/zinc/39/93/10/608399310.db2.gz HUPUSXACWSQWTP-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824875051 608399312 /nfs/dbraw/zinc/39/93/12/608399312.db2.gz HUPUSXACWSQWTP-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC000824100773 608400535 /nfs/dbraw/zinc/40/05/35/608400535.db2.gz XEMLPPKXYRQSNK-CYBMUJFWSA-N 0 1 375.448 2.950 20 0 GFADMN c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826523809 608437953 /nfs/dbraw/zinc/43/79/53/608437953.db2.gz YNYLITLXFGUQTE-UHFFFAOYSA-N 0 1 396.458 2.549 20 0 GFADMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825654120 608458159 /nfs/dbraw/zinc/45/81/59/608458159.db2.gz OUBBKDCCYDOUEL-QGZVFWFLSA-N 0 1 380.452 2.945 20 0 GFADMN CCCOc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825338583 608464162 /nfs/dbraw/zinc/46/41/62/608464162.db2.gz DVXDQSNBZDSRIP-HNNXBMFYSA-N 0 1 394.479 2.623 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029099 608468701 /nfs/dbraw/zinc/46/87/01/608468701.db2.gz CTKQOHUTYQDTIT-STQMWFEESA-N 0 1 378.436 2.747 20 0 GFADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599436 608480855 /nfs/dbraw/zinc/48/08/55/608480855.db2.gz ORRXTZMJQBVECF-LBPRGKRZSA-N 0 1 391.884 2.645 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000826280520 608542819 /nfs/dbraw/zinc/54/28/19/608542819.db2.gz FIEBSOCEYKIVAE-HOTGVXAUSA-N 0 1 393.495 2.791 20 0 GFADMN COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826220351 608595086 /nfs/dbraw/zinc/59/50/86/608595086.db2.gz LCWYFHHXRCFLMQ-UHFFFAOYSA-N 0 1 398.492 2.788 20 0 GFADMN COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826220351 608595088 /nfs/dbraw/zinc/59/50/88/608595088.db2.gz LCWYFHHXRCFLMQ-UHFFFAOYSA-N 0 1 398.492 2.788 20 0 GFADMN COc1ccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1OC ZINC000826194305 608603242 /nfs/dbraw/zinc/60/32/42/608603242.db2.gz ILEVJTVATPMSBI-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN CN(C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1)C(=O)OC(C)(C)C ZINC000825908751 608611472 /nfs/dbraw/zinc/61/14/72/608611472.db2.gz LPIGKYHROPXRGQ-CYBMUJFWSA-N 0 1 376.461 2.539 20 0 GFADMN CN(C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)C(=O)OC(C)(C)C ZINC000825908751 608611481 /nfs/dbraw/zinc/61/14/81/608611481.db2.gz LPIGKYHROPXRGQ-CYBMUJFWSA-N 0 1 376.461 2.539 20 0 GFADMN CN(C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)C(=O)OC(C)(C)C ZINC000825908751 608611484 /nfs/dbraw/zinc/61/14/84/608611484.db2.gz LPIGKYHROPXRGQ-CYBMUJFWSA-N 0 1 376.461 2.539 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)[C@H](C)CN1C ZINC000824975385 608634544 /nfs/dbraw/zinc/63/45/44/608634544.db2.gz JZRFBCKSAVVONG-HUUCEWRRSA-N 0 1 376.464 2.698 20 0 GFADMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825825472 608648406 /nfs/dbraw/zinc/64/84/06/608648406.db2.gz DLZYFJCMUPSHKR-UHFFFAOYSA-N 0 1 390.463 2.837 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000825825951 608659964 /nfs/dbraw/zinc/65/99/64/608659964.db2.gz PESNQQABOZBLDF-ZDUSSCGKSA-N 0 1 378.502 2.760 20 0 GFADMN COc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CCC(O)CC2)c1 ZINC000826216129 608675404 /nfs/dbraw/zinc/67/54/04/608675404.db2.gz LRSDQUHKAZLGIU-UHFFFAOYSA-N 0 1 383.452 2.774 20 0 GFADMN COc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CCC(O)CC2)c1 ZINC000826216129 608675407 /nfs/dbraw/zinc/67/54/07/608675407.db2.gz LRSDQUHKAZLGIU-UHFFFAOYSA-N 0 1 383.452 2.774 20 0 GFADMN COc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CCC(O)CC2)c1 ZINC000826216129 608675408 /nfs/dbraw/zinc/67/54/08/608675408.db2.gz LRSDQUHKAZLGIU-UHFFFAOYSA-N 0 1 383.452 2.774 20 0 GFADMN COc1ccccc1[C@H]1CCCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219221 608675445 /nfs/dbraw/zinc/67/54/45/608675445.db2.gz WCNGRLPUJPYNHL-QGZVFWFLSA-N 0 1 375.436 2.860 20 0 GFADMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)[nH]c2c1 ZINC000826213675 609186828 /nfs/dbraw/zinc/18/68/28/609186828.db2.gz GQOMXPUJWKUVPW-JTQLQIEISA-N 0 1 395.448 2.871 20 0 GFADMN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584536 609323002 /nfs/dbraw/zinc/32/30/02/609323002.db2.gz BUSYRLIOCYDZMV-QAPCUYQASA-N 0 1 396.470 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NYYCSWHKUBWIFV-UHFFFAOYSA-N 0 1 389.294 2.721 20 0 GFADMN CN(C)C[C@@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)c(Cl)c1 ZINC000863038065 662309268 /nfs/dbraw/zinc/30/92/68/662309268.db2.gz RSPSWIRGOKEQSN-CYBMUJFWSA-N 0 1 376.309 2.881 20 0 GFADMN CCc1cc(Cl)cnc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000863450373 662333330 /nfs/dbraw/zinc/33/33/30/662333330.db2.gz IMABGSWCXZTIGU-UHFFFAOYSA-N 0 1 381.885 2.777 20 0 GFADMN Nc1cn[nH]c1[C@H]1CCN(C(=O)CCOc2cccc(Br)c2)C1 ZINC000864375299 662368535 /nfs/dbraw/zinc/36/85/35/662368535.db2.gz PCIGAFZZZHSYMB-NSHDSACASA-N 0 1 379.258 2.539 20 0 GFADMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000864386301 662369365 /nfs/dbraw/zinc/36/93/65/662369365.db2.gz ZRAREXIQOBAVLW-ZYHUDNBSSA-N 0 1 391.269 2.637 20 0 GFADMN CC(=O)c1ccc(OCC(=O)CCNC(=O)C(F)(F)F)c(Br)c1 ZINC000865371431 662416769 /nfs/dbraw/zinc/41/67/69/662416769.db2.gz BCLQVBKINUHFQZ-UHFFFAOYSA-N 0 1 396.159 2.668 20 0 GFADMN COc1ncc(Br)cc1CNCC1(S(C)(=O)=O)CCCCC1 ZINC000865626612 662432568 /nfs/dbraw/zinc/43/25/68/662432568.db2.gz AGLKQUGBDSIOSM-UHFFFAOYSA-N 0 1 391.331 2.690 20 0 GFADMN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000865789058 662443887 /nfs/dbraw/zinc/44/38/87/662443887.db2.gz OHOKZICMTUBYCD-INIZCTEOSA-N 0 1 385.291 2.936 20 0 GFADMN COc1ccc(C[C@H](C)NCc2c(I)cnn2C)cc1 ZINC000866629425 662485005 /nfs/dbraw/zinc/48/50/05/662485005.db2.gz FVMJWKRXWFKLTK-NSHDSACASA-N 0 1 385.249 2.754 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@H]1CCC(F)(F)C1)c1cc(F)ccc1F ZINC000866715789 662491616 /nfs/dbraw/zinc/49/16/16/662491616.db2.gz UTDKSCIZDVKQJV-TVQRCGJNSA-N 0 1 383.363 2.534 20 0 GFADMN CC[S@](C)(=O)=NS(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000867040776 662518810 /nfs/dbraw/zinc/51/88/10/662518810.db2.gz FLFHTNDADYENEP-SAHAZLINSA-N 0 1 376.397 2.771 20 0 GFADMN Cc1csc([C@H](C)CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)n1 ZINC000867099079 662523041 /nfs/dbraw/zinc/52/30/41/662523041.db2.gz MWMPHKPDVVVSMQ-DJNLSKAYSA-N 0 1 391.515 2.685 20 0 GFADMN C[S@](=O)(=NS(=O)(=O)N[C@H]1CCOc2c(F)cccc21)c1ccccc1 ZINC000867159778 662527887 /nfs/dbraw/zinc/52/78/87/662527887.db2.gz YMHVQCPWIRPZEJ-IZHWHUGBSA-N 0 1 384.454 2.641 20 0 GFADMN N[C@@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1cccc(Br)c1 ZINC000867946137 662588660 /nfs/dbraw/zinc/58/86/60/662588660.db2.gz CEVWRMXYPHSOEU-QGZVFWFLSA-N 0 1 391.265 2.927 20 0 GFADMN N[C@H](C(=O)NC[C@@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000867945196 662588708 /nfs/dbraw/zinc/58/87/08/662588708.db2.gz AHJMSQXOHLQNIL-PXAZEXFGSA-N 0 1 375.266 2.816 20 0 GFADMN CCO[C@H](C)c1noc(CN(C)C(=O)[C@H](N)c2cccc(Br)c2)n1 ZINC000867954003 662589196 /nfs/dbraw/zinc/58/91/96/662589196.db2.gz HWBRJNWLGMFWKQ-QMTHXVAHSA-N 0 1 397.273 2.588 20 0 GFADMN O=C(c1nc(Br)sc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000868009778 662591320 /nfs/dbraw/zinc/59/13/20/662591320.db2.gz CXPPJYCQKGESSX-RXMQYKEDSA-N 0 1 393.650 2.667 20 0 GFADMN C[NH+](C)CCn1cc(C(=O)Nc2c([O-])cc(Br)cc2Cl)cn1 ZINC000868291792 662600867 /nfs/dbraw/zinc/60/08/67/662600867.db2.gz URVYDWCYAYALCU-UHFFFAOYSA-N 0 1 387.665 2.819 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1nc(Cl)sc1Cl ZINC000869039567 662627805 /nfs/dbraw/zinc/62/78/05/662627805.db2.gz RRZZGSJLDOUQOF-NSHDSACASA-N 0 1 383.264 2.694 20 0 GFADMN CN(C/C=C\C(=O)Nc1n[nH]c2cnc(Br)cc21)CC(F)(F)F ZINC000869769965 662660627 /nfs/dbraw/zinc/66/06/27/662660627.db2.gz DSVZRQZXFNNCGQ-IHWYPQMZSA-N 0 1 392.179 2.709 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CSc1n[n-]c(=S)s1 ZINC000869800508 662662893 /nfs/dbraw/zinc/66/28/93/662662893.db2.gz CMOODJWQHXLYRI-JSGCOSHPSA-N 0 1 394.591 2.803 20 0 GFADMN COc1ccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)cc1 ZINC000870101073 662674105 /nfs/dbraw/zinc/67/41/05/662674105.db2.gz MGGWVOJHUTYHCJ-LBPRGKRZSA-N 0 1 383.520 2.528 20 0 GFADMN O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000871071855 662714929 /nfs/dbraw/zinc/71/49/29/662714929.db2.gz LZMPWLIORZESSI-QMMMGPOBSA-N 0 1 394.305 2.729 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cc(F)cc1Cl ZINC000871811859 662734950 /nfs/dbraw/zinc/73/49/50/662734950.db2.gz WELJSKTXJMZPIR-LLVKDONJSA-N 0 1 397.299 2.570 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c1Cl ZINC000871841112 662736729 /nfs/dbraw/zinc/73/67/29/662736729.db2.gz YAPSSMWTRMTDTI-UHFFFAOYSA-N 0 1 388.917 2.889 20 0 GFADMN CC(C)(c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1)c1ccncc1 ZINC000871854654 662737436 /nfs/dbraw/zinc/73/74/36/662737436.db2.gz QOMXPZNWXXWWOC-UHFFFAOYSA-N 0 1 398.897 2.984 20 0 GFADMN CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000871870416 662738456 /nfs/dbraw/zinc/73/84/56/662738456.db2.gz HDKWEQMIYQMCET-AWEZNQCLSA-N 0 1 388.917 2.889 20 0 GFADMN Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sc1C(=O)[O-] ZINC000871937203 662744006 /nfs/dbraw/zinc/74/40/06/662744006.db2.gz BZBSYXOGBOCURQ-STQMWFEESA-N 0 1 386.539 2.686 20 0 GFADMN CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC000871946212 662745141 /nfs/dbraw/zinc/74/51/41/662745141.db2.gz NWAQZDFOVJKHIX-UHFFFAOYSA-N 0 1 383.297 2.700 20 0 GFADMN CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871981903 662748855 /nfs/dbraw/zinc/74/88/55/662748855.db2.gz RYOGECMZFOLOKC-VIFPVBQESA-N 0 1 395.308 2.843 20 0 GFADMN CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871981903 662748857 /nfs/dbraw/zinc/74/88/57/662748857.db2.gz RYOGECMZFOLOKC-VIFPVBQESA-N 0 1 395.308 2.843 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000871981951 662748951 /nfs/dbraw/zinc/74/89/51/662748951.db2.gz UFNHMSXFJHMBNN-LBPRGKRZSA-N 0 1 388.917 2.745 20 0 GFADMN C[C@]1(c2nc(-c3ccc(Br)cc3OC(F)F)no2)CNCCO1 ZINC000872178085 662757423 /nfs/dbraw/zinc/75/74/23/662757423.db2.gz RDHAGDLAVNWXTD-CQSZACIVSA-N 0 1 390.184 2.936 20 0 GFADMN CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(Br)cn2)c1 ZINC000872234345 662758542 /nfs/dbraw/zinc/75/85/42/662758542.db2.gz OYDUFHOUEITJHF-MRXNPFEDSA-N 0 1 379.254 2.576 20 0 GFADMN CO[C@H](c1ccccc1F)[C@@H](C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872470898 662770549 /nfs/dbraw/zinc/77/05/49/662770549.db2.gz KWPMHNOSMUQVLK-IXNJGMSNSA-N 0 1 380.507 2.632 20 0 GFADMN CONC(=O)C1CCN(c2ccnc3cc(OC)c(Br)cc32)CC1 ZINC000872647942 662782769 /nfs/dbraw/zinc/78/27/69/662782769.db2.gz FMZBDHJFPXPEAQ-UHFFFAOYSA-N 0 1 394.269 2.900 20 0 GFADMN CCOC1CC2(C[C@@H]2NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000872655651 662783444 /nfs/dbraw/zinc/78/34/44/662783444.db2.gz NPVGXPXJXMXEIG-KQZUMFKRSA-N 0 1 396.253 2.963 20 0 GFADMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1(OC(C)C)CCC1 ZINC000873166523 662802418 /nfs/dbraw/zinc/80/24/18/662802418.db2.gz FDXVDYZQIKIXGS-AWEZNQCLSA-N 0 1 389.949 2.642 20 0 GFADMN Cn1cc(Br)cc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000873283837 662804916 /nfs/dbraw/zinc/80/49/16/662804916.db2.gz KPJMRNRMYLXVFV-UHFFFAOYSA-N 0 1 377.286 2.792 20 0 GFADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3)C2)cn1 ZINC000873645262 662811220 /nfs/dbraw/zinc/81/12/20/662811220.db2.gz LQLFGVZZLUYIFA-UONOGXRCSA-N 0 1 378.270 2.873 20 0 GFADMN O=C(CN1CCCC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000874103216 662822842 /nfs/dbraw/zinc/82/28/42/662822842.db2.gz BELPVAHDRGQWEL-UHFFFAOYSA-N 0 1 381.314 2.709 20 0 GFADMN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874370100 662830238 /nfs/dbraw/zinc/83/02/38/662830238.db2.gz WIZJEWXBAZQBRV-KBPBESRZSA-N 0 1 386.279 2.636 20 0 GFADMN CC(C)[C@H](CNC(=O)c1cc(F)c(Cl)c(N)c1Cl)N1CCN(C)CC1 ZINC000874466716 662831773 /nfs/dbraw/zinc/83/17/73/662831773.db2.gz SGQOQTZQYOCMGI-ZDUSSCGKSA-N 0 1 391.318 2.717 20 0 GFADMN CC(C)c1nc(CNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)n[nH]1 ZINC000875631441 662849269 /nfs/dbraw/zinc/84/92/69/662849269.db2.gz QNHYTYORSCGGFJ-UHFFFAOYSA-N 0 1 376.770 2.995 20 0 GFADMN COC(=O)c1ccc(CN2CCC(CCC(N)=O)CC2)cc1Br ZINC000876757941 662865951 /nfs/dbraw/zinc/86/59/51/662865951.db2.gz CRQVKJHOCCCXPC-UHFFFAOYSA-N 0 1 383.286 2.713 20 0 GFADMN Nc1c(Cl)cccc1CNCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000876992735 662869292 /nfs/dbraw/zinc/86/92/92/662869292.db2.gz JGQVFYUMNPOGBW-UHFFFAOYSA-N 0 1 379.913 2.997 20 0 GFADMN CCO[P@](C)(=O)CC[C@@H](C)NCc1nn(C)cc1I ZINC000877573880 662879133 /nfs/dbraw/zinc/87/91/33/662879133.db2.gz WPMUBEZAAKYVNN-DGIBIBHMSA-N 0 1 399.213 2.837 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3nccc(C)c3Br)[C@H](C)C2)n[nH]1 ZINC000877579015 662879472 /nfs/dbraw/zinc/87/94/72/662879472.db2.gz LLKLLBFQJIFBDR-CYBMUJFWSA-N 0 1 392.301 2.531 20 0 GFADMN COc1cc(Br)c(CNC[C@@H]2CC3(CO2)CCOCC3)cc1O ZINC000877728548 662882525 /nfs/dbraw/zinc/88/25/25/662882525.db2.gz GDDLXPBKZPDQJS-ZDUSSCGKSA-N 0 1 386.286 2.839 20 0 GFADMN COc1cc(CN2CC(CNC(=O)C(F)(F)F)C2)c(F)cc1Br ZINC000877776600 662883473 /nfs/dbraw/zinc/88/34/73/662883473.db2.gz QTDMSKBXGPMWNI-UHFFFAOYSA-N 0 1 399.182 2.707 20 0 GFADMN O=c1[nH]c2c(cc1CNCc1cnn3cc(Br)cnc13)CCCC2 ZINC000877777650 662883541 /nfs/dbraw/zinc/88/35/41/662883541.db2.gz DCRJAAOKERKOOL-UHFFFAOYSA-N 0 1 388.269 2.761 20 0 GFADMN Cc1nc(CNCc2ccc(N3CCN(C)CC3)nc2)sc1Br ZINC000878078805 662889361 /nfs/dbraw/zinc/88/93/61/662889361.db2.gz JZEZBSKRNWKXKH-UHFFFAOYSA-N 0 1 396.358 2.651 20 0 GFADMN C[C@@H](NC[C@@H](O)c1cc(Br)no1)c1cccc(N2CCCC2=O)c1 ZINC000878357115 662894361 /nfs/dbraw/zinc/89/43/61/662894361.db2.gz CCKHOSNXRKVUHX-BXUZGUMPSA-N 0 1 394.269 2.948 20 0 GFADMN OCCN(Cc1ccc(Br)s1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878506858 662897702 /nfs/dbraw/zinc/89/77/02/662897702.db2.gz NLCGOUGSXOSTCG-ZDUSSCGKSA-N 0 1 390.343 2.891 20 0 GFADMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cc(Br)no1 ZINC000878569311 662899059 /nfs/dbraw/zinc/89/90/59/662899059.db2.gz UCUMSCVBPPWBCU-CMGMYYOESA-N 0 1 381.274 2.615 20 0 GFADMN OC[C@H](NC[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(Br)c(F)c1 ZINC000878645097 662901523 /nfs/dbraw/zinc/90/15/23/662901523.db2.gz HWDHJMBPEGAIFG-JCGIZDLHSA-N 0 1 398.272 2.696 20 0 GFADMN O=C(c1cc(Br)ccc1C1CC1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000879262880 662922070 /nfs/dbraw/zinc/92/20/70/662922070.db2.gz HRDREKBJMDPSOC-NSHDSACASA-N 0 1 376.258 2.859 20 0 GFADMN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1CC1(O)CCS(=O)(=O)CC1 ZINC000879646974 662934068 /nfs/dbraw/zinc/93/40/68/662934068.db2.gz YPCJEWULZURRCX-KRWDZBQOSA-N 0 1 389.920 2.816 20 0 GFADMN CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(CCCS(C)(=O)=O)C1 ZINC000879653084 662934082 /nfs/dbraw/zinc/93/40/82/662934082.db2.gz MJBFWAAMXWIJHM-GOSISDBHSA-N 0 1 376.563 2.684 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000879743128 662938341 /nfs/dbraw/zinc/93/83/41/662938341.db2.gz UPUUDZNPABCBOI-ZUZCIYMTSA-N 0 1 398.326 2.921 20 0 GFADMN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000879766105 662939003 /nfs/dbraw/zinc/93/90/03/662939003.db2.gz UPHSVLYPGOQGHY-OCCSQVGLSA-N 0 1 395.219 2.625 20 0 GFADMN CC(=O)N1C[C@H]2CN(CC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)C[C@H]2C1 ZINC000880309594 662957567 /nfs/dbraw/zinc/95/75/67/662957567.db2.gz QLKSQLGJOUKOBH-TUKIKUTGSA-N 0 1 384.307 2.581 20 0 GFADMN CC(=O)N1C[C@H]2CN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]2C1 ZINC000880311597 662957876 /nfs/dbraw/zinc/95/78/76/662957876.db2.gz JPYWXYJOPHTEBV-AHIWAGSCSA-N 0 1 382.291 2.509 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000880890973 662977120 /nfs/dbraw/zinc/97/71/20/662977120.db2.gz GSVIXFHDFIAIGB-LBPRGKRZSA-N 0 1 377.247 2.594 20 0 GFADMN CO[C@H](CNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000881891610 663008241 /nfs/dbraw/zinc/00/82/41/663008241.db2.gz BWQZLMGGTACOIJ-SSDOTTSWSA-N 0 1 386.701 2.609 20 0 GFADMN O=S(=O)(NC1(CF)CCOCC1)c1cnc(Cl)cc1C(F)(F)F ZINC000882232080 663021636 /nfs/dbraw/zinc/02/16/36/663021636.db2.gz MFRQCNPHXCFTSM-UHFFFAOYSA-N 0 1 376.759 2.551 20 0 GFADMN C[S@](=O)(=NS(=O)(=O)Nc1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC000882684641 663036587 /nfs/dbraw/zinc/03/65/87/663036587.db2.gz OVJXGVWNZBHLDR-XMMPIXPASA-N 0 1 382.511 2.960 20 0 GFADMN C[S@@](=O)(=NS(=O)(=O)Nc1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000882704523 663037395 /nfs/dbraw/zinc/03/73/95/663037395.db2.gz BLUWTULYNDEYNU-QHCPKHFHSA-N 0 1 388.437 2.533 20 0 GFADMN COc1cc2nccc(N3C[C@@H]4CN(C(C)=O)C[C@@H]4C3)c2cc1Br ZINC000882849407 663043875 /nfs/dbraw/zinc/04/38/75/663043875.db2.gz IRQLSLSHAZIBMB-BETUJISGSA-N 0 1 390.281 2.920 20 0 GFADMN OC[C@H](CNCc1cn(-c2ccccc2Br)nn1)Cc1ccoc1 ZINC000883271172 663052082 /nfs/dbraw/zinc/05/20/82/663052082.db2.gz HENCSJBZKNUDNO-AWEZNQCLSA-N 0 1 391.269 2.564 20 0 GFADMN O=S1(=O)CCC[C@@H]1CCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000883299519 663052849 /nfs/dbraw/zinc/05/28/49/663052849.db2.gz WXRHUBFBRWJZFB-DLBZAZTESA-N 0 1 387.929 2.955 20 0 GFADMN C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1ccccc1I ZINC000883306113 663053210 /nfs/dbraw/zinc/05/32/10/663053210.db2.gz NSDGWOBNHQKULI-RYUDHWBXSA-N 0 1 393.290 2.909 20 0 GFADMN N[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000884051324 663064238 /nfs/dbraw/zinc/06/42/38/663064238.db2.gz BTNMOTJQNKWUQM-QGZVFWFLSA-N 0 1 391.265 2.579 20 0 GFADMN CC[C@@H](CNC(=O)NCc1nc(CSC)n[nH]1)Oc1ccccc1Cl ZINC000884188537 663066803 /nfs/dbraw/zinc/06/68/03/663066803.db2.gz JOOBENPBPJQJEC-NSHDSACASA-N 0 1 383.905 2.978 20 0 GFADMN CC[C@@H](CNC(=O)NCc1nnc(CSC)[nH]1)Oc1ccccc1Cl ZINC000884188537 663066805 /nfs/dbraw/zinc/06/68/05/663066805.db2.gz JOOBENPBPJQJEC-NSHDSACASA-N 0 1 383.905 2.978 20 0 GFADMN N[C@H](C(=O)NCCN1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200347 663066930 /nfs/dbraw/zinc/06/69/30/663066930.db2.gz ZQRLFNJBJVZDGY-INIZCTEOSA-N 0 1 394.338 2.685 20 0 GFADMN C[C@H](NC(=O)[C@H](N)c1ccc(Br)cc1)[C@@H](O)Cc1ccccc1 ZINC000884328474 663068921 /nfs/dbraw/zinc/06/89/21/663068921.db2.gz QTOSNXGZOSFSFW-AFAVFJNCSA-N 0 1 377.282 2.557 20 0 GFADMN N[C@@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)c1ccc(Br)cc1 ZINC000884334317 663069186 /nfs/dbraw/zinc/06/91/86/663069186.db2.gz MNUYZAVBRDUYHB-IAGOWNOFSA-N 0 1 390.281 2.662 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000885269148 663087886 /nfs/dbraw/zinc/08/78/86/663087886.db2.gz VCEHLPHVYLWMEH-HWPZZCPQSA-N 0 1 381.885 2.992 20 0 GFADMN Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc([C@H](C)N2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886568493 663113784 /nfs/dbraw/zinc/11/37/84/663113784.db2.gz LPWJPTKLGIHPOI-ZOFXXKQRSA-N 0 1 376.595 2.940 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000886843996 663122990 /nfs/dbraw/zinc/12/29/90/663122990.db2.gz OYYPEGMQWWTQNM-YGRLFVJLSA-N 0 1 390.285 2.824 20 0 GFADMN O=S(=O)([N-]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1C(F)(F)F ZINC000886898261 663124043 /nfs/dbraw/zinc/12/40/43/663124043.db2.gz WQNXNHBKFYMODF-MRVPVSSYSA-N 0 1 392.777 2.882 20 0 GFADMN COC(=O)[C@H](C[C@H]1CCCO1)NCc1nc2ccc(Br)cc2[nH]1 ZINC000886947038 663125897 /nfs/dbraw/zinc/12/58/97/663125897.db2.gz WCKFHCBNMNCYHD-RISCZKNCSA-N 0 1 382.258 2.526 20 0 GFADMN Cc1ncc(CC(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)o1 ZINC000887744002 663159995 /nfs/dbraw/zinc/15/99/95/663159995.db2.gz NQEIAPDHQQBRTL-UHFFFAOYSA-N 0 1 393.285 2.679 20 0 GFADMN CCOC(=O)c1[nH]nc(NC(=O)Cc2cc(Br)ccc2F)c1C ZINC000888131988 663179750 /nfs/dbraw/zinc/17/97/50/663179750.db2.gz IEQVCKMTNBIHAP-UHFFFAOYSA-N 0 1 384.205 2.978 20 0 GFADMN CCOC(=O)c1[nH]nc(NC(=O)C2(c3cncc(Br)c3)CC2)c1C ZINC000888134734 663179984 /nfs/dbraw/zinc/17/99/84/663179984.db2.gz ZBHRPWQAWCEMRM-UHFFFAOYSA-N 0 1 393.241 2.723 20 0 GFADMN CCOC(=O)c1[nH]nc(NC(=O)[C@@H](OC)c2ccccc2Br)c1C ZINC000888135520 663180044 /nfs/dbraw/zinc/18/00/44/663180044.db2.gz QOEXZYSNLYDWHP-ZDUSSCGKSA-N 0 1 396.241 2.984 20 0 GFADMN O=C(Nc1nc2ccc(Cl)nc2s1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000888786752 663215899 /nfs/dbraw/zinc/21/58/99/663215899.db2.gz WEAARTYCNVRLBS-LLVKDONJSA-N 0 1 381.889 2.531 20 0 GFADMN CCCN(C(=O)NCc1n[nH]c(=O)n1C)[C@H](C)c1ccccc1Br ZINC000889593228 663251606 /nfs/dbraw/zinc/25/16/06/663251606.db2.gz DNAMVTDMEUVMMZ-LLVKDONJSA-N 0 1 396.289 2.966 20 0 GFADMN COCCn1ncc(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)c1C ZINC000889646814 663253542 /nfs/dbraw/zinc/25/35/42/663253542.db2.gz RFOAYFZHSAIWCY-UHFFFAOYSA-N 0 1 396.220 2.868 20 0 GFADMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)[C@@H]1CCc2n[nH]cc2C1 ZINC000889647932 663253893 /nfs/dbraw/zinc/25/38/93/663253893.db2.gz HDHXERDAOBZJKX-SSDOTTSWSA-N 0 1 378.205 2.931 20 0 GFADMN C[C@]1(Br)C[C@@H]1CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000891543102 663343277 /nfs/dbraw/zinc/34/32/77/663343277.db2.gz NCNGLGDXVIBUJQ-RISCZKNCSA-N 0 1 393.372 2.664 20 0 GFADMN O=C1C[C@@H](c2ccccc2)N(Cc2ncc(Br)cc2O)CCN1 ZINC000891728675 663349038 /nfs/dbraw/zinc/34/90/38/663349038.db2.gz NLVMVIBSFNDMBC-HNNXBMFYSA-N 0 1 376.254 2.613 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCNCc1sccc1NC(=O)OC(C)(C)C ZINC000892702514 663382497 /nfs/dbraw/zinc/38/24/97/663382497.db2.gz AMWDYUKUGXPPGH-UHFFFAOYSA-N 0 1 391.559 2.903 20 0 GFADMN CN(Cc1nc2c(s1)CCCC2)C(=O)N1CCc2sc(CN)nc2C1 ZINC000892881684 663388237 /nfs/dbraw/zinc/38/82/37/663388237.db2.gz VLWHZZGTLOCGAA-UHFFFAOYSA-N 0 1 377.539 2.547 20 0 GFADMN CCn1c(CN[C@H](CO)C(C)(C)C)nc(Br)c1Br ZINC000893548246 663415232 /nfs/dbraw/zinc/41/52/32/663415232.db2.gz DFFIJUMTGIFSLP-MRVPVSSYSA-N 0 1 383.128 2.925 20 0 GFADMN C[C@]1(Br)C[C@H]1CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000894151949 663445909 /nfs/dbraw/zinc/44/59/09/663445909.db2.gz XAUKDKZEBMNOEP-NDMJEZRESA-N 0 1 376.092 2.739 20 0 GFADMN CCc1noc(-c2ccc(CCNCc3nc(Br)nn3C)cc2)n1 ZINC000894249582 663450621 /nfs/dbraw/zinc/45/06/21/663450621.db2.gz VJETVMHNUNXGCY-UHFFFAOYSA-N 0 1 391.273 2.522 20 0 GFADMN C[C@@H](C[C@H](O)c1cccs1)NCc1cn(C)nc1I ZINC000894369529 663458212 /nfs/dbraw/zinc/45/82/12/663458212.db2.gz AAYBACJBOCYZPZ-ONGXEEELSA-N 0 1 391.278 2.688 20 0 GFADMN C[C@H](C[C@@H](O)c1cccs1)NCc1c(I)cnn1C ZINC000894369896 663458739 /nfs/dbraw/zinc/45/87/39/663458739.db2.gz CNJROHXUUJRVOG-BXKDBHETSA-N 0 1 391.278 2.688 20 0 GFADMN CC(=O)NC1CCC(N(C)Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894446345 663462245 /nfs/dbraw/zinc/46/22/45/663462245.db2.gz SKJGSEABDDRVLU-UHFFFAOYSA-N 0 1 386.949 2.512 20 0 GFADMN CSCc1n[nH]c(CNC(=O)CSc2cccc(Br)c2)n1 ZINC000894605498 663471298 /nfs/dbraw/zinc/47/12/98/663471298.db2.gz AFKMAOZXVWBNBY-UHFFFAOYSA-N 0 1 387.328 2.839 20 0 GFADMN CSCc1nnc(CNC(=O)CSc2cccc(Br)c2)[nH]1 ZINC000894605498 663471299 /nfs/dbraw/zinc/47/12/99/663471299.db2.gz AFKMAOZXVWBNBY-UHFFFAOYSA-N 0 1 387.328 2.839 20 0 GFADMN Cn1ncc(I)c1CN1CCC2(CCC(O)CC2)CC1 ZINC000894869677 663485913 /nfs/dbraw/zinc/48/59/13/663485913.db2.gz CDFWVVSEFFIQIX-UHFFFAOYSA-N 0 1 389.281 2.542 20 0 GFADMN COCCCn1cc(C(=O)Nc2nc3cccc(Br)c3[nH]2)cn1 ZINC000895315096 663507570 /nfs/dbraw/zinc/50/75/70/663507570.db2.gz XVHQDOQGMXJNSJ-UHFFFAOYSA-N 0 1 378.230 2.811 20 0 GFADMN CC[C@@H](NCc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000895476722 663516455 /nfs/dbraw/zinc/51/64/55/663516455.db2.gz NCKKACGUALWZAL-ZIAGYGMSSA-N 0 1 385.249 2.627 20 0 GFADMN CC[C@H](NCc1c(I)cnn1C)[C@@H](O)c1ccccc1 ZINC000895477210 663516592 /nfs/dbraw/zinc/51/65/92/663516592.db2.gz RZUNTGJHUIDSCV-ZFWWWQNUSA-N 0 1 385.249 2.627 20 0 GFADMN Cn1ncc(I)c1CNC[C@]1(C)OCCc2ccccc21 ZINC000895637900 663522009 /nfs/dbraw/zinc/52/20/09/663522009.db2.gz ANMUSYYUWIHSBD-INIZCTEOSA-N 0 1 397.260 2.602 20 0 GFADMN CC1CC(n2nnc3c2CN(Cc2ncc(Br)cc2O)CC3)C1 ZINC000895758420 663526508 /nfs/dbraw/zinc/52/65/08/663526508.db2.gz SANGHLBHOYLMOA-UHFFFAOYSA-N 0 1 378.274 2.671 20 0 GFADMN O=C(NCC/C=C\c1ccc(Br)cc1)NCCN1CCC(O)CC1 ZINC000895951962 663534757 /nfs/dbraw/zinc/53/47/57/663534757.db2.gz JOWXMLXEJODLLH-IWQZZHSRSA-N 0 1 396.329 2.608 20 0 GFADMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982937 663536067 /nfs/dbraw/zinc/53/60/67/663536067.db2.gz VRYLBWLBSSPJGJ-MFKMUULPSA-N 0 1 378.416 2.588 20 0 GFADMN C[C@@H](NC(=O)CCCc1ccc(Br)cc1)[C@H]1CN(C)CCN1C ZINC000896530582 663560775 /nfs/dbraw/zinc/56/07/75/663560775.db2.gz UOGBSRSGOFLKOL-RHSMWYFYSA-N 0 1 382.346 2.522 20 0 GFADMN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc(Cl)c1Br ZINC000896543385 663562510 /nfs/dbraw/zinc/56/25/10/663562510.db2.gz XFSJXAVDBWGFMN-FZMZJTMJSA-N 0 1 388.737 2.775 20 0 GFADMN C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[C@@H]1CN(C)CCN1C ZINC000896565995 663564015 /nfs/dbraw/zinc/56/40/15/663564015.db2.gz AWADBELKQLRPPV-AAEUAGOBSA-N 0 1 398.985 2.818 20 0 GFADMN C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000896569286 663565110 /nfs/dbraw/zinc/56/51/10/663565110.db2.gz SROYLDHVWGWQGF-LRDDRELGSA-N 0 1 390.380 2.977 20 0 GFADMN Cc1n[nH]c(I)c1C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000896669711 663570684 /nfs/dbraw/zinc/57/06/84/663570684.db2.gz FWOBQUKIUDKEBK-UHFFFAOYSA-N 0 1 387.225 2.887 20 0 GFADMN CN(Cc1cc(Br)cn1C)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896967717 663583171 /nfs/dbraw/zinc/58/31/71/663583171.db2.gz YUXPBEPZAYXRGK-OAHLLOKOSA-N 0 1 380.290 2.550 20 0 GFADMN CN1CC[C@@H](NC(=O)c2nn3c(c2Br)CCC3)[C@H]1c1ccccc1 ZINC000897241411 663596801 /nfs/dbraw/zinc/59/68/01/663596801.db2.gz YZXFLNIAKHXLMG-CXAGYDPISA-N 0 1 389.297 2.767 20 0 GFADMN O[C@@H]1CCOC2(CCN(Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000897261244 663597192 /nfs/dbraw/zinc/59/71/92/663597192.db2.gz YMEYDZHMLFKPIF-OAHLLOKOSA-N 0 1 380.286 2.603 20 0 GFADMN O[C@@H]1CCOC2(CCN(Cc3ccccc3I)CC2)C1 ZINC000897261539 663597259 /nfs/dbraw/zinc/59/72/59/663597259.db2.gz IHWKPDUSKJOIES-CQSZACIVSA-N 0 1 387.261 2.797 20 0 GFADMN COC(=O)C[C@@H](NCc1ncc(I)s1)C(C)(C)C ZINC000897889643 663624138 /nfs/dbraw/zinc/62/41/38/663624138.db2.gz WNUWZCKTPDJEGC-MRVPVSSYSA-N 0 1 382.267 2.815 20 0 GFADMN COc1ccc2c(c1)CC[C@@H]2N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897977335 663627805 /nfs/dbraw/zinc/62/78/05/663627805.db2.gz DDDYUOSFMHTOSG-JKSUJKDBSA-N 0 1 388.265 2.993 20 0 GFADMN C[C@H](CNCc1cc(C(F)(F)F)n(C)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000898021225 663630432 /nfs/dbraw/zinc/63/04/32/663630432.db2.gz YUNUKJVMZFDWJY-LLVKDONJSA-N 0 1 375.416 2.736 20 0 GFADMN COc1nn(C)cc1CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000898029612 663630762 /nfs/dbraw/zinc/63/07/62/663630762.db2.gz XWAKBHKGGVYDRA-NSHDSACASA-N 0 1 381.274 2.698 20 0 GFADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC(C)(C)c1c[nH]nn1 ZINC000898149788 663635503 /nfs/dbraw/zinc/63/55/03/663635503.db2.gz YNVPZXCENGNTNH-JTQLQIEISA-N 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/nfs/dbraw/zinc/38/44/15/564384415.db2.gz RERJYIITTGFENC-HNNXBMFYSA-N 0 1 377.238 2.603 20 0 GFADMN CC[NH+](CC)CCN(Cc1nc(=O)n(C)[n-]1)Cc1ccc(Cl)c(Cl)c1 ZINC000544393697 564385231 /nfs/dbraw/zinc/38/52/31/564385231.db2.gz AWXXVFROWTXKIA-UHFFFAOYSA-N 0 1 386.327 2.759 20 0 GFADMN Cn1nc(CCNCc2ncc(I)s2)c2ccccc21 ZINC000511925148 564385862 /nfs/dbraw/zinc/38/58/62/564385862.db2.gz GMZGLTBBTDTMRI-UHFFFAOYSA-N 0 1 398.273 2.967 20 0 GFADMN CCc1csc(=O)n1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000567860307 564392507 /nfs/dbraw/zinc/39/25/07/564392507.db2.gz HAGSTIRBZXMZAM-UHFFFAOYSA-N 0 1 377.535 2.660 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000452103588 564392889 /nfs/dbraw/zinc/39/28/89/564392889.db2.gz KWXFOPAJNAWAFQ-CYBMUJFWSA-N 0 1 375.332 2.861 20 0 GFADMN CCc1nc(CNC(=O)[C@H](Oc2ccccc2Br)C(C)C)n[nH]1 ZINC000452182248 564397640 /nfs/dbraw/zinc/39/76/40/564397640.db2.gz OJTBYBUDUPVARE-OAHLLOKOSA-N 0 1 381.274 2.849 20 0 GFADMN CCc1ccc(CNCC(=O)Nc2ccc(I)cc2)cn1 ZINC000512354872 564398896 /nfs/dbraw/zinc/39/88/96/564398896.db2.gz MEKYXUVNFLMSEM-UHFFFAOYSA-N 0 1 395.244 2.977 20 0 GFADMN O=C(N[C@@H](CO)CN1CCCCC1)c1cc2cc(Br)ccc2o1 ZINC000512365186 564399970 /nfs/dbraw/zinc/39/99/70/564399970.db2.gz UBOKPLOWBFRWEZ-CQSZACIVSA-N 0 1 381.270 2.772 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H]2CC(=O)c3ccccc32)sc1Br ZINC000544837034 564401423 /nfs/dbraw/zinc/40/14/23/564401423.db2.gz ZLZLQQIDBFYAJH-SNVBAGLBSA-N 0 1 387.280 2.820 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1ccc(CO)cc1 ZINC000568073591 564403435 /nfs/dbraw/zinc/40/34/35/564403435.db2.gz GGEZZVSUQMFWPD-QGZVFWFLSA-N 0 1 376.250 2.953 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000568073591 564403439 /nfs/dbraw/zinc/40/34/39/564403439.db2.gz GGEZZVSUQMFWPD-QGZVFWFLSA-N 0 1 376.250 2.953 20 0 GFADMN O=S(=O)([N-]CCC[C@H]1CCC[NH2+]1)c1cc(Br)sc1Cl ZINC000568390943 564416595 /nfs/dbraw/zinc/41/65/95/564416595.db2.gz SQLXHONZMQVYCI-MRVPVSSYSA-N 0 1 387.752 2.975 20 0 GFADMN Cn1cc([C@@H]2C[C@H](NC(=O)c3cccc(Br)c3O)CCO2)cn1 ZINC000568215465 564409296 /nfs/dbraw/zinc/40/92/96/564409296.db2.gz WLVXCSDLZYVBDI-RISCZKNCSA-N 0 1 380.242 2.538 20 0 GFADMN CCCOc1c(Br)cc(CNC2CN(C(C)=O)C2)cc1OCC ZINC000568237711 564410137 /nfs/dbraw/zinc/41/01/37/564410137.db2.gz DQSVZTMJUVVPIK-UHFFFAOYSA-N 0 1 385.302 2.957 20 0 GFADMN CC(C)Oc1cc(Br)ccc1C(=O)NC[C@H]1CCCCN1CCO ZINC000452385154 564411352 /nfs/dbraw/zinc/41/13/52/564411352.db2.gz CTKCMUDLVHALQU-OAHLLOKOSA-N 0 1 399.329 2.813 20 0 GFADMN Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC000513018072 564418150 /nfs/dbraw/zinc/41/81/50/564418150.db2.gz VVZASIPYIZWFJE-UHFFFAOYSA-N 0 1 384.933 2.668 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)CSCc2ncc(Cl)s2)C1 ZINC000478922188 564419124 /nfs/dbraw/zinc/41/91/24/564419124.db2.gz WUOMZVJYSYPCCP-GFCCVEGCSA-N 0 1 377.963 2.503 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000478958357 564420007 /nfs/dbraw/zinc/42/00/07/564420007.db2.gz RXCMXKCUDWBKSE-ZBEGNZNMSA-N 0 1 394.313 2.549 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc(F)c(I)c1)C(=O)NCCF ZINC000453205020 564449961 /nfs/dbraw/zinc/44/99/61/564449961.db2.gz COTQAFLMBIRYGK-DTWKUNHWSA-N 0 1 382.192 2.555 20 0 GFADMN C[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Br)cn1 ZINC000479355138 564437370 /nfs/dbraw/zinc/43/73/70/564437370.db2.gz DBZWMQZPLDPQHX-YPMHNXCESA-N 0 1 395.253 2.663 20 0 GFADMN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1n[nH]c2ccc(Br)cc21 ZINC000452926187 564438197 /nfs/dbraw/zinc/43/81/97/564438197.db2.gz KURBKYWFDIYEML-DZGCQCFKSA-N 0 1 378.270 2.852 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000513812011 564439594 /nfs/dbraw/zinc/43/95/94/564439594.db2.gz CBVOIMAVRHEAOG-UHFFFAOYSA-N 0 1 375.855 2.558 20 0 GFADMN COc1cc(Cl)c(CNCCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000479603745 564445636 /nfs/dbraw/zinc/44/56/36/564445636.db2.gz SZVANXWZNVIBPV-UHFFFAOYSA-N 0 1 386.279 2.956 20 0 GFADMN O=C(NCc1cnc[nH]1)c1cccn1-c1cccc(I)c1 ZINC000479607410 564445727 /nfs/dbraw/zinc/44/57/27/564445727.db2.gz SDKHMGPXZYAEBK-UHFFFAOYSA-N 0 1 392.200 2.735 20 0 GFADMN CCN1CCN(CC(=O)NC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000514066204 564446091 /nfs/dbraw/zinc/44/60/91/564446091.db2.gz MWSXGIYGXHUDHW-UHFFFAOYSA-N 0 1 394.357 2.972 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000546265154 564452463 /nfs/dbraw/zinc/45/24/63/564452463.db2.gz FQMOPANHTPUHRX-ZDUSSCGKSA-N 0 1 388.898 2.681 20 0 GFADMN C[C@H](CC(C)(C)O)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453308215 564453124 /nfs/dbraw/zinc/45/31/24/564453124.db2.gz DGAZPSVJQPQKOB-ZWNOBZJWSA-N 0 1 376.316 2.807 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2cccc(F)c2I)[C@@H](C)C1 ZINC000569286859 564457315 /nfs/dbraw/zinc/45/73/15/564457315.db2.gz LDAFQVYDPKRNSH-PHIMTYICSA-N 0 1 390.240 2.985 20 0 GFADMN Cc1cc(Br)c(CNCCNS(=O)(=O)c2cccs2)s1 ZINC000453576571 564457849 /nfs/dbraw/zinc/45/78/49/564457849.db2.gz VWQQTSXFTFBPOZ-UHFFFAOYSA-N 0 1 395.369 2.949 20 0 GFADMN NC1(c2noc(-c3cccnc3-n3cc(Br)cn3)n2)CCCC1 ZINC000569483140 564465964 /nfs/dbraw/zinc/46/59/64/564465964.db2.gz HFIBIGBWQPVRKT-UHFFFAOYSA-N 0 1 375.230 2.808 20 0 GFADMN CN(C)C(=O)C(C)(C)NCc1ccc(I)c(Cl)c1 ZINC000515031399 564466960 /nfs/dbraw/zinc/46/69/60/564466960.db2.gz HMQDUPJODBNLIG-UHFFFAOYSA-N 0 1 380.657 2.901 20 0 GFADMN CO[C@@H]1C[C@H](CC(=O)[O-])[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000515065317 564467855 /nfs/dbraw/zinc/46/78/55/564467855.db2.gz DQMMZBRAIBBRSC-TZMCWYRMSA-N 0 1 376.222 2.531 20 0 GFADMN COC(=O)c1cc(CN[C@@](C)(CO)c2ccc(Br)cc2)cn1C ZINC000515228110 564473466 /nfs/dbraw/zinc/47/34/66/564473466.db2.gz FTZDIOKTLHMJDN-KRWDZBQOSA-N 0 1 381.270 2.572 20 0 GFADMN CN(CC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)[C@H]1CCSC1 ZINC000480440256 564473711 /nfs/dbraw/zinc/47/37/11/564473711.db2.gz UCBCQCIIVBIQJK-UXEPBGEESA-N 0 1 389.348 2.847 20 0 GFADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1 ZINC000547241096 564480499 /nfs/dbraw/zinc/48/04/99/564480499.db2.gz CQQNWIOJNLTKMB-XMMPIXPASA-N 0 1 381.475 2.543 20 0 GFADMN CCOc1cc(CNC(C)(C)CS(C)(=O)=O)cc(Br)c1OC ZINC000547290393 564483658 /nfs/dbraw/zinc/48/36/58/564483658.db2.gz OJJFCJLTTDIDIG-UHFFFAOYSA-N 0 1 394.331 2.769 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000480717476 564484412 /nfs/dbraw/zinc/48/44/12/564484412.db2.gz SSWYXBRNSNAUSB-QMTHXVAHSA-N 0 1 391.306 2.658 20 0 GFADMN C[C@@H](Nc1nc(C(F)(F)F)nc2[nH]cnc21)c1ncc(Br)cn1 ZINC000570146579 564493503 /nfs/dbraw/zinc/49/35/03/564493503.db2.gz YBJGPLPBDDBIQF-RXMQYKEDSA-N 0 1 388.151 3.097 20 0 GFADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000570357866 564502720 /nfs/dbraw/zinc/50/27/20/564502720.db2.gz HVQDMZMWRXHJGK-UHFFFAOYSA-N 0 1 381.475 2.874 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc(Br)c(C)nc1OC ZINC000547622951 564504100 /nfs/dbraw/zinc/50/41/00/564504100.db2.gz DXRWNPYUWSLEMR-UHFFFAOYSA-N 0 1 397.229 2.622 20 0 GFADMN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(Br)c1O ZINC000547686081 564506737 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CC(C)(O)CN(C(=O)c1[nH]nc2ccc(I)cc21)C1CC1 ZINC000547984134 564526354 /nfs/dbraw/zinc/52/63/54/564526354.db2.gz IUTYLWRUVDANPI-UHFFFAOYSA-N 0 1 399.232 2.543 20 0 GFADMN CCC1(CC)CN(C(=O)c2cccc(C(F)(F)F)c2O)CCS1(=O)=O ZINC000570984162 564530866 /nfs/dbraw/zinc/53/08/66/564530866.db2.gz SOMDREUILZGNFW-UHFFFAOYSA-N 0 1 379.400 2.840 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cccc(Br)c2OC)C1 ZINC000481997584 564531385 /nfs/dbraw/zinc/53/13/85/564531385.db2.gz IQVGDGLRMQLELU-UKRRQHHQSA-N 0 1 399.329 2.821 20 0 GFADMN C[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)N1CC(C)C1 ZINC000571059586 564534686 /nfs/dbraw/zinc/53/46/86/564534686.db2.gz UKNRRFKKVMILFP-CYBMUJFWSA-N 0 1 384.307 2.618 20 0 GFADMN CN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1(C)C ZINC000571175404 564538914 /nfs/dbraw/zinc/53/89/14/564538914.db2.gz GXVSMNDHCMXRPR-UHFFFAOYSA-N 0 1 379.302 2.949 20 0 GFADMN COC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000571163764 564539218 /nfs/dbraw/zinc/53/92/18/564539218.db2.gz JJJHRCMHTNVHIJ-MJGOQNOKSA-N 0 1 391.309 2.997 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cn1 ZINC000571196289 564539883 /nfs/dbraw/zinc/53/98/83/564539883.db2.gz LRHUFERDQPLMRG-UHFFFAOYSA-N 0 1 385.848 2.820 20 0 GFADMN Cc1cc(N2CCN(CCO)[C@@H](C)C2)c2cc(Br)cc(F)c2n1 ZINC000548288357 564547308 /nfs/dbraw/zinc/54/73/08/564547308.db2.gz PRWYRNLOHRCSKH-LBPRGKRZSA-N 0 1 382.277 2.948 20 0 GFADMN O=S(=O)(Nc1ccc(OCCO)cc1)c1ccccc1OC(F)(F)F ZINC000518389189 564552290 /nfs/dbraw/zinc/55/22/90/564552290.db2.gz HHWZABIQXLMFSX-UHFFFAOYSA-N 0 1 377.340 2.757 20 0 GFADMN OCc1cn(CCCN[C@@H](c2ccco2)c2ccc(Br)cc2)nn1 ZINC000518447409 564554236 /nfs/dbraw/zinc/55/42/36/564554236.db2.gz WRFKITTYOIJPBM-QGZVFWFLSA-N 0 1 391.269 2.895 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000455440375 564554247 /nfs/dbraw/zinc/55/42/47/564554247.db2.gz YHECTRHRWQLXIZ-LBPRGKRZSA-N 0 1 397.317 2.757 20 0 GFADMN CSc1nsc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)n1 ZINC000548521199 564555713 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386.304 2.764 20 0 GFADMN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000590863809 565207639 /nfs/dbraw/zinc/20/76/39/565207639.db2.gz XZJZMRCGNOLGRD-IAGOWNOFSA-N 0 1 386.323 2.777 20 0 GFADMN CN1CC[C@@H](NCc2nnnn2C2CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638711478 565208380 /nfs/dbraw/zinc/20/83/80/565208380.db2.gz ZTYDODOXYVUAQY-GDBMZVCRSA-N 0 1 391.317 2.696 20 0 GFADMN COc1ncc(Br)cc1CN1CCC(CCN2CCOCC2)CC1 ZINC000659860949 565226683 /nfs/dbraw/zinc/22/66/83/565226683.db2.gz JRMNVSGIZFPLAW-UHFFFAOYSA-N 0 1 398.345 2.787 20 0 GFADMN COc1ncc(Br)cc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000659855452 565226882 /nfs/dbraw/zinc/22/68/82/565226882.db2.gz DZYQTCGXNJYVIW-CKEIUWERSA-N 0 1 398.345 2.926 20 0 GFADMN COc1nsc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1Br ZINC000639144293 565228753 /nfs/dbraw/zinc/22/87/53/565228753.db2.gz UXZGXDNQLDQYGZ-ZWNOBZJWSA-N 0 1 391.331 2.572 20 0 GFADMN COc1nsc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c1Br ZINC000639202052 565231614 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CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCN1 ZINC000660187497 565265323 /nfs/dbraw/zinc/26/53/23/565265323.db2.gz GMHKXGDTHQAJDR-GFCCVEGCSA-N 0 1 399.713 2.860 20 0 GFADMN COCc1nc(CNC(=O)c2ccccc2SCc2cscn2)n[nH]1 ZINC000617938658 565268989 /nfs/dbraw/zinc/26/89/89/565268989.db2.gz FIPQCIZHNTWWSG-UHFFFAOYSA-N 0 1 375.479 2.630 20 0 GFADMN COCc1nnc(CNC(=O)c2ccccc2SCc2cscn2)[nH]1 ZINC000617938658 565268996 /nfs/dbraw/zinc/26/89/96/565268996.db2.gz FIPQCIZHNTWWSG-UHFFFAOYSA-N 0 1 375.479 2.630 20 0 GFADMN OC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000640041151 565276082 /nfs/dbraw/zinc/27/60/82/565276082.db2.gz PZRCZNGYDGYDMJ-MVWJERBFSA-N 0 1 388.213 2.836 20 0 GFADMN CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000618173889 565276357 /nfs/dbraw/zinc/27/63/57/565276357.db2.gz CXCLGPXLEBFVCN-HNNXBMFYSA-N 0 1 388.961 2.691 20 0 GFADMN CN(CC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000618341311 565290777 /nfs/dbraw/zinc/29/07/77/565290777.db2.gz DMYLDRUPHYVTAY-FZMZJTMJSA-N 0 1 377.337 2.923 20 0 GFADMN COC(=O)c1nscc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618602721 565307655 /nfs/dbraw/zinc/30/76/55/565307655.db2.gz DXBIJWSLSJZZGY-UHFFFAOYSA-N 0 1 396.368 2.770 20 0 GFADMN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCN(C2CCCCC2)C1 ZINC000618663575 565309372 /nfs/dbraw/zinc/30/93/72/565309372.db2.gz ZBEHRNJECKKEIA-HNNXBMFYSA-N 0 1 384.929 2.637 20 0 GFADMN O=C(c1cc(Br)ccc1[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640449026 565311265 /nfs/dbraw/zinc/31/12/65/565311265.db2.gz YLSCMJBWDBZJQC-UHFFFAOYSA-N 0 1 376.254 2.902 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000640567918 565316810 /nfs/dbraw/zinc/31/68/10/565316810.db2.gz UFSWFDUMFMZCRO-HNNXBMFYSA-N 0 1 393.285 2.761 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494358 565326103 /nfs/dbraw/zinc/32/61/03/565326103.db2.gz KPVADEKXPIXVOB-IYBDPMFKSA-N 0 1 387.343 2.827 20 0 GFADMN C[C@@H](C(=O)NC1CCCC1)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640806109 565328633 /nfs/dbraw/zinc/32/86/33/565328633.db2.gz WTUJRMUQOOTXQN-MEDUHNTESA-N 0 1 392.301 2.709 20 0 GFADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000640801147 565329258 /nfs/dbraw/zinc/32/92/58/565329258.db2.gz ARIWBNOEQKUQLG-ZWZTZDBGSA-N 0 1 384.267 2.963 20 0 GFADMN CC1(C)CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000619147440 565329510 /nfs/dbraw/zinc/32/95/10/565329510.db2.gz WCMHWHMLURZHCT-UHFFFAOYSA-N 0 1 382.201 2.615 20 0 GFADMN CCCN(CCC)C(=O)Cn1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000640862945 565332339 /nfs/dbraw/zinc/33/23/39/565332339.db2.gz FMTIYHWLOUJLHE-KRWDZBQOSA-N 0 1 394.317 2.737 20 0 GFADMN Ic1cc2ncnc(N3CC[C@H](N4CC=CC4)C3)c2s1 ZINC000593464633 565333492 /nfs/dbraw/zinc/33/34/92/565333492.db2.gz KDBNOSBQQZPONQ-JTQLQIEISA-N 0 1 398.273 2.746 20 0 GFADMN CC(C)N(C)C(=O)[C@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000641126213 565348304 /nfs/dbraw/zinc/34/83/04/565348304.db2.gz JPVGQINJLAYLSO-XHDPSFHLSA-N 0 1 380.290 2.517 20 0 GFADMN CC[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000662217401 565355474 /nfs/dbraw/zinc/35/54/74/565355474.db2.gz TUVHZHMRRCZJHU-MRVPVSSYSA-N 0 1 377.754 2.630 20 0 GFADMN CC[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000662217401 565355479 /nfs/dbraw/zinc/35/54/79/565355479.db2.gz TUVHZHMRRCZJHU-MRVPVSSYSA-N 0 1 377.754 2.630 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000662344554 565362276 /nfs/dbraw/zinc/36/22/76/565362276.db2.gz CAUUVUNDTCUONY-CRAIPNDOSA-N 0 1 390.325 2.738 20 0 GFADMN COCCN1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910903 565367289 /nfs/dbraw/zinc/36/72/89/565367289.db2.gz IBKKMOUKZVAJQD-TZMCWYRMSA-N 0 1 387.343 2.767 20 0 GFADMN COCCN1CC[C@@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910900 565367698 /nfs/dbraw/zinc/36/76/98/565367698.db2.gz IBKKMOUKZVAJQD-GXTWGEPZSA-N 0 1 387.343 2.767 20 0 GFADMN CC1(C)CNCCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000593931708 565368594 /nfs/dbraw/zinc/36/85/94/565368594.db2.gz PYIBLJHRBKQXEY-QFIPXVFZSA-N 0 1 387.343 2.547 20 0 GFADMN CC(C)(CNC(=O)c1cc(Br)cc2nc[nH]c21)[C@]1(O)CCCOC1 ZINC000620108504 565371256 /nfs/dbraw/zinc/37/12/56/565371256.db2.gz YHFCNORHHGFSBQ-KRWDZBQOSA-N 0 1 396.285 2.623 20 0 GFADMN Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCCN(C)C2)cc1Cl ZINC000662517422 565373438 /nfs/dbraw/zinc/37/34/38/565373438.db2.gz DQLVPTXUZNZRNG-JTQLQIEISA-N 0 1 388.693 2.560 20 0 GFADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC2(F)F)c1F ZINC000594464371 565389959 /nfs/dbraw/zinc/38/99/59/565389959.db2.gz NQEGOEMCBAIKMR-QMMMGPOBSA-N 0 1 385.791 2.979 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)C[C@H]1N(C)C ZINC000594465274 565389995 /nfs/dbraw/zinc/38/99/95/565389995.db2.gz CTKGPSJUXDUUEB-HZPDHXFCSA-N 0 1 397.591 2.785 20 0 GFADMN Cc1nc(S(=O)(=O)N2CCC(Cc3n[nH]c(C(C)C)n3)CC2)sc1C ZINC000641644408 565390085 /nfs/dbraw/zinc/39/00/85/565390085.db2.gz PVUHHWHQVIVKOA-UHFFFAOYSA-N 0 1 383.543 2.645 20 0 GFADMN Cc1nc(S(=O)(=O)N2CCC(Cc3nnc(C(C)C)[nH]3)CC2)sc1C ZINC000641644408 565390090 /nfs/dbraw/zinc/39/00/90/565390090.db2.gz PVUHHWHQVIVKOA-UHFFFAOYSA-N 0 1 383.543 2.645 20 0 GFADMN COC[C@@H](C)CS(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000641643524 565390228 /nfs/dbraw/zinc/39/02/28/565390228.db2.gz IXOHOYFOJQOALT-SNVBAGLBSA-N 0 1 379.404 2.626 20 0 GFADMN C[C@@H]1CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)C[C@](C)(C(F)F)O1 ZINC000663004069 565391809 /nfs/dbraw/zinc/39/18/09/565391809.db2.gz KRRZRPFONBRSDK-UHNFBRDESA-N 0 1 391.256 2.894 20 0 GFADMN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000641665735 565392169 /nfs/dbraw/zinc/39/21/69/565392169.db2.gz XQPOCFKMNUYGSW-AWEZNQCLSA-N 0 1 386.323 2.520 20 0 GFADMN C[C@H]1CCCc2nc(S(=O)(=O)Nc3nn(CC(F)(F)F)cc3Cl)cn21 ZINC000641692143 565395272 /nfs/dbraw/zinc/39/52/72/565395272.db2.gz MRVAEAVEBWDVOA-QMMMGPOBSA-N 0 1 397.810 2.993 20 0 GFADMN CN1C[C@@H](NCc2cc(Br)sc2Br)CCC1=O ZINC000641726563 565396446 /nfs/dbraw/zinc/39/64/46/565396446.db2.gz PUMVJLFMNKNBHF-QMMMGPOBSA-N 0 1 382.121 2.984 20 0 GFADMN CC[C@@H]1CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C[C@H](C)[NH2+]1 ZINC000620897979 565401089 /nfs/dbraw/zinc/40/10/89/565401089.db2.gz IXQCJNRWLMKUHX-WDEREUQCSA-N 0 1 378.270 2.915 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000642316026 565409821 /nfs/dbraw/zinc/40/98/21/565409821.db2.gz IKEZKFDHFGNKKG-UHFFFAOYSA-N 0 1 378.841 2.789 20 0 GFADMN COc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c(Br)cn1 ZINC000621250612 565411674 /nfs/dbraw/zinc/41/16/74/565411674.db2.gz IPJQVVSUJVENOW-IIAWOOMASA-N 0 1 398.345 2.926 20 0 GFADMN COc1ccc([C@@H](C)NC(=O)NCCCc2nc[nH]n2)cc1Br ZINC000663516264 565424220 /nfs/dbraw/zinc/42/42/20/565424220.db2.gz OAHOIDRDPHPDAP-SNVBAGLBSA-N 0 1 382.262 2.569 20 0 GFADMN CCS(=O)(=O)C[C@@H](C)N[C@H]1CCc2ccc(I)cc21 ZINC000595018700 565443830 /nfs/dbraw/zinc/44/38/30/565443830.db2.gz DPUZTCWMVYPQSO-YGRLFVJLSA-N 0 1 393.290 2.691 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC[C@H]2C[C@H]2C1 ZINC000664201135 565455398 /nfs/dbraw/zinc/45/53/98/565455398.db2.gz IYGUCECIDUSWNB-RYUDHWBXSA-N 0 1 376.258 2.786 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@H]2C[C@H]2C1 ZINC000664201135 565455404 /nfs/dbraw/zinc/45/54/04/565455404.db2.gz IYGUCECIDUSWNB-RYUDHWBXSA-N 0 1 376.258 2.786 20 0 GFADMN CCOC(=O)c1c(C)[nH]nc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000595314578 565462261 /nfs/dbraw/zinc/46/22/61/565462261.db2.gz IXMHBGLAROBZOD-UHFFFAOYSA-N 0 1 396.289 2.691 20 0 GFADMN C[N@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644301605 565470858 /nfs/dbraw/zinc/47/08/58/565470858.db2.gz QGBQHEHSPDXBJU-IINYFYTJSA-N 0 1 393.734 2.568 20 0 GFADMN CN1C[C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644301605 565470863 /nfs/dbraw/zinc/47/08/63/565470863.db2.gz QGBQHEHSPDXBJU-IINYFYTJSA-N 0 1 393.734 2.568 20 0 GFADMN CCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000665343395 565497648 /nfs/dbraw/zinc/49/76/48/565497648.db2.gz HKLDPZQAOUUMKT-CXAGYDPISA-N 0 1 384.270 2.771 20 0 GFADMN COc1ccc(C(=O)NCCNCc2cc(C)c(Br)cn2)cc1 ZINC000623370708 565505286 /nfs/dbraw/zinc/50/52/86/565505286.db2.gz XEZODONVQRBHLB-UHFFFAOYSA-N 0 1 378.270 2.681 20 0 GFADMN COc1cc(CNc2nc(N)nc3c2CCCC3)cc(Br)c1OC ZINC000645146039 565513979 /nfs/dbraw/zinc/51/39/79/565513979.db2.gz CBYKZCABYDBWEY-UHFFFAOYSA-N 0 1 393.285 2.751 20 0 GFADMN CN1CCOC[C@@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000623710429 565527065 /nfs/dbraw/zinc/52/70/65/565527065.db2.gz CEWAIVOWUKCHRN-HNNXBMFYSA-N 0 1 382.327 2.993 20 0 GFADMN C[C@@H](NC(=O)N[C@H]1CSCc2ccc(Br)cc21)c1nnc[nH]1 ZINC000666401175 565535835 /nfs/dbraw/zinc/53/58/35/565535835.db2.gz BBOUVWJBDLSONI-PELKAZGASA-N 0 1 382.287 2.916 20 0 GFADMN C[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000624137038 565544897 /nfs/dbraw/zinc/54/48/97/565544897.db2.gz AIGCVDLVHBLEQK-LERXQTSPSA-N 0 1 380.432 2.938 20 0 GFADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1nc2ccc(Cl)cc2n1C ZINC000624137950 565544941 /nfs/dbraw/zinc/54/49/41/565544941.db2.gz 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O=S(=O)(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccncc1 ZINC000656895639 566177847 /nfs/dbraw/zinc/17/78/47/566177847.db2.gz AWTZEVLNGUAXSK-UHFFFAOYSA-N 0 1 379.913 2.926 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cnn3c2CCCC3)cc1Cl ZINC000634796148 566180154 /nfs/dbraw/zinc/18/01/54/566180154.db2.gz FMMOTQDTZZANJI-UHFFFAOYSA-N 0 1 386.836 2.771 20 0 GFADMN Cc1cc(NC(=O)N2CCN(CCO)C(C)(C)C2)cc(C)c1Br ZINC000683155481 566185793 /nfs/dbraw/zinc/18/57/93/566185793.db2.gz YNWLEJLHZOOPDJ-UHFFFAOYSA-N 0 1 384.318 2.986 20 0 GFADMN O=C(Nc1cscc1Cl)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000635037444 566190704 /nfs/dbraw/zinc/19/07/04/566190704.db2.gz MYQGJKFLIIOLEB-UHFFFAOYSA-N 0 1 378.885 2.516 20 0 GFADMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(Br)c2)n[nH]1 ZINC000656945877 566191257 /nfs/dbraw/zinc/19/12/57/566191257.db2.gz HGMDEJBNLVIDIN-ZETCQYMHSA-N 0 1 393.694 2.823 20 0 GFADMN Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)s1 ZINC000657060139 566214479 /nfs/dbraw/zinc/21/44/79/566214479.db2.gz FKVQQVWYPLKLAU-SNVBAGLBSA-N 0 1 381.361 2.970 20 0 GFADMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cc2c(cc1Br)OCCO2 ZINC000635391753 566209653 /nfs/dbraw/zinc/20/96/53/566209653.db2.gz VVCFEIBYCSBMGV-MVWJERBFSA-N 0 1 392.253 2.924 20 0 GFADMN Cc1c(Br)ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1F ZINC000684127162 566228316 /nfs/dbraw/zinc/22/83/16/566228316.db2.gz IMXPSTKSGUUWBX-AWEZNQCLSA-N 0 1 390.216 2.929 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)[C@H]2CCCN2C)cc1 ZINC000737032324 598890880 /nfs/dbraw/zinc/89/08/80/598890880.db2.gz KUNCPIKDHOZMLT-MRXNPFEDSA-N 0 1 394.435 2.700 20 0 GFADMN CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H]1CCc2ccccc2C1 ZINC000736787135 598916612 /nfs/dbraw/zinc/91/66/12/598916612.db2.gz GLZSESKAWCXVET-MRXNPFEDSA-N 0 1 396.882 2.948 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1-c1nn[nH]n1 ZINC000737187814 598922670 /nfs/dbraw/zinc/92/26/70/598922670.db2.gz VUHWCHGTCAXBBE-SFHVURJKSA-N 0 1 386.481 2.652 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1OCC1CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342160 598950930 /nfs/dbraw/zinc/95/09/30/598950930.db2.gz NCVUWODQZKSCSV-UHFFFAOYSA-N 0 1 389.412 2.595 20 0 GFADMN CCOc1ccccc1[C@@H](C)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736653511 598960768 /nfs/dbraw/zinc/96/07/68/598960768.db2.gz BAVBQQFSLLNSCK-RDTXWAMCSA-N 0 1 392.463 2.722 20 0 GFADMN C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736288083 598988406 /nfs/dbraw/zinc/98/84/06/598988406.db2.gz QOGXKIWWVCMBSC-MLGOLLRUSA-N 0 1 390.463 2.741 20 0 GFADMN NC(=O)[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737745334 599012136 /nfs/dbraw/zinc/01/21/36/599012136.db2.gz WNBUEIUQJGINED-ZDUSSCGKSA-N 0 1 385.840 2.715 20 0 GFADMN C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1)c1ccccc1 ZINC000736129716 599032179 /nfs/dbraw/zinc/03/21/79/599032179.db2.gz FIVUPFOERJSUNJ-HNNXBMFYSA-N 0 1 391.479 2.655 20 0 GFADMN C[C@H]([NH2+]C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1)c1ccccc1 ZINC000736129716 599032180 /nfs/dbraw/zinc/03/21/80/599032180.db2.gz FIVUPFOERJSUNJ-HNNXBMFYSA-N 0 1 391.479 2.655 20 0 GFADMN CN(CC12CC3CC(CC(C3)C1)C2)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736795688 599067565 /nfs/dbraw/zinc/06/75/65/599067565.db2.gz XJLDVSYRPABWQG-YXSDIZSPSA-N 0 1 380.496 2.541 20 0 GFADMN Cc1ccccc1C1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737422601 599075359 /nfs/dbraw/zinc/07/53/59/599075359.db2.gz MVBSZLDTFKVZQM-IBGZPJMESA-N 0 1 376.464 2.581 20 0 GFADMN COc1cccc(CCCN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000737130967 599133115 /nfs/dbraw/zinc/13/31/15/599133115.db2.gz KBOYXTKARRFEAS-UHFFFAOYSA-N 0 1 396.470 2.769 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000817744093 597001525 /nfs/dbraw/zinc/00/15/25/597001525.db2.gz ODKHEEPEUMLIAY-LBPRGKRZSA-N 0 1 375.450 2.734 20 0 GFADMN CC(C)[C@H](CNc1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000820020341 607345345 /nfs/dbraw/zinc/34/53/45/607345345.db2.gz FHNYEAJVALMDQB-HNNXBMFYSA-N 0 1 384.406 2.654 20 0 GFADMN CC(C)[C@@H](CNc1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000820020342 607345763 /nfs/dbraw/zinc/34/57/63/607345763.db2.gz FHNYEAJVALMDQB-OAHLLOKOSA-N 0 1 384.406 2.654 20 0 GFADMN Cc1ccc([C@H](CNC(=O)C=Cc2ccccc2-c2nn[nH]n2)N2CCCC2)o1 ZINC000737320268 598233845 /nfs/dbraw/zinc/23/38/45/598233845.db2.gz JSJRSKDEBMBHTE-CKDFRHGISA-N 0 1 392.463 2.735 20 0 GFADMN Cc1ccc(SCCN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1C ZINC000737369413 598249972 /nfs/dbraw/zinc/24/99/72/598249972.db2.gz TUTNLTIICYXKPN-UHFFFAOYSA-N 0 1 395.536 2.793 20 0 GFADMN C[C@H]1CN(Cc2ccccc2-c2nn[nH]n2)CCN1c1nc2ccccc2o1 ZINC000736291651 598364500 /nfs/dbraw/zinc/36/45/00/598364500.db2.gz XGLXHROQPGWJLH-AWEZNQCLSA-N 0 1 375.436 2.719 20 0 GFADMN CCCN(C[C@H]1CCCCO1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736469398 598403078 /nfs/dbraw/zinc/40/30/78/598403078.db2.gz DZBWLNPWIKUVRS-GOSISDBHSA-N 0 1 381.484 2.969 20 0 GFADMN S=C(Nc1cnn(-c2ccncc2)c1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738407076 598418986 /nfs/dbraw/zinc/41/89/86/598418986.db2.gz FUYDJBLOXSLLFB-UHFFFAOYSA-N 0 1 397.855 2.910 20 0 GFADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)cc2[nH]1 ZINC000737488322 598580129 /nfs/dbraw/zinc/58/01/29/598580129.db2.gz PFIANESPQKGVGV-SFHVURJKSA-N 0 1 388.435 2.659 20 0 GFADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738042113 598625361 /nfs/dbraw/zinc/62/53/61/598625361.db2.gz VEVKRGFIBCYUJR-INIZCTEOSA-N 0 1 399.430 2.948 20 0 GFADMN CCCN(CC(=O)NCc1cccc(C)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736469136 598699828 /nfs/dbraw/zinc/69/98/28/598699828.db2.gz FTMSNEYXEBKZKS-UHFFFAOYSA-N 0 1 378.480 2.704 20 0 GFADMN Cc1cccc(CNC(=O)CN(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1 ZINC000737393385 598702753 /nfs/dbraw/zinc/70/27/53/598702753.db2.gz INTSEUFSQNICRB-UHFFFAOYSA-N 0 1 392.507 2.950 20 0 GFADMN Cc1ccc(-c2noc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)n2)cc1 ZINC000737302649 598719582 /nfs/dbraw/zinc/71/95/82/598719582.db2.gz BJDQSADJXZODQS-UHFFFAOYSA-N 0 1 385.387 2.588 20 0 GFADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000736196586 599309490 /nfs/dbraw/zinc/30/94/90/599309490.db2.gz KIFNYDMLDJSXAA-OAHLLOKOSA-N 0 1 394.454 2.915 20 0 GFADMN Cc1ccc(F)c(N2CCC[C@H](N(C)Cc3cccc(-c4nn[nH]n4)c3)C2=O)c1 ZINC000737344287 599310045 /nfs/dbraw/zinc/31/00/45/599310045.db2.gz CWYIXWJQBKGLKV-SFHVURJKSA-N 0 1 394.454 2.942 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834645 599390674 /nfs/dbraw/zinc/39/06/74/599390674.db2.gz QAEFJHHXHBBJPG-WCQYABFASA-N 0 1 380.452 2.936 20 0 GFADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000820431175 599421064 /nfs/dbraw/zinc/42/10/64/599421064.db2.gz BRTPYIVTXBZHQE-STQMWFEESA-N 0 1 376.461 2.585 20 0 GFADMN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820051642 599438542 /nfs/dbraw/zinc/43/85/42/599438542.db2.gz RXFXYEZPRZCMHZ-GOSISDBHSA-N 0 1 378.477 2.879 20 0 GFADMN C[C@H](CN1CCN(c2ccccn2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736011013 599440692 /nfs/dbraw/zinc/44/06/92/599440692.db2.gz YIDUERZCEZLZTF-CQSZACIVSA-N 0 1 398.902 2.538 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737503349 599483385 /nfs/dbraw/zinc/48/33/85/599483385.db2.gz IATKUGBXGXUGGR-UHFFFAOYSA-N 0 1 399.462 2.607 20 0 GFADMN C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321932 599528978 /nfs/dbraw/zinc/52/89/78/599528978.db2.gz OELSZOQSSNQZQK-HNAYVOBHSA-N 0 1 376.464 2.709 20 0 GFADMN COc1ccc(C2CCN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821786970 599691303 /nfs/dbraw/zinc/69/13/03/599691303.db2.gz MNIDLRORNUNVLD-UHFFFAOYSA-N 0 1 392.463 2.693 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)CC2)cs1 ZINC000738348752 599755606 /nfs/dbraw/zinc/75/56/06/599755606.db2.gz KCUIAXMYXORJAN-SFHVURJKSA-N 0 1 387.505 2.996 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000327392473 599761604 /nfs/dbraw/zinc/76/16/04/599761604.db2.gz RZBCMDCQUFPVOE-UHFFFAOYSA-N 0 1 388.917 2.779 20 0 GFADMN COc1ccc([C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000737958951 599763116 /nfs/dbraw/zinc/76/31/16/599763116.db2.gz MKFBATQUZRHXTB-AZUAARDMSA-N 0 1 382.460 2.849 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952308 599784871 /nfs/dbraw/zinc/78/48/71/599784871.db2.gz MZDCMFHYZPYNHP-HUUCEWRRSA-N 0 1 377.485 2.529 20 0 GFADMN CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000736952308 599784872 /nfs/dbraw/zinc/78/48/72/599784872.db2.gz MZDCMFHYZPYNHP-HUUCEWRRSA-N 0 1 377.485 2.529 20 0 GFADMN O=C([O-])CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739741114 599809063 /nfs/dbraw/zinc/80/90/63/599809063.db2.gz WTZNTJMTQOHYQC-OAQYLSRUSA-N 0 1 398.459 2.677 20 0 GFADMN C[C@H](c1cccc(NCC(=O)Nc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736719270 599856585 /nfs/dbraw/zinc/85/65/85/599856585.db2.gz WMWAQEBSRBCSKE-OAHLLOKOSA-N 0 1 383.448 2.829 20 0 GFADMN CC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737069696 599875265 /nfs/dbraw/zinc/87/52/65/599875265.db2.gz OOJPEXZJOSXAQK-UHFFFAOYSA-N 0 1 397.475 2.856 20 0 GFADMN CC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737069696 599875267 /nfs/dbraw/zinc/87/52/67/599875267.db2.gz OOJPEXZJOSXAQK-UHFFFAOYSA-N 0 1 397.475 2.856 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000737520479 599973115 /nfs/dbraw/zinc/97/31/15/599973115.db2.gz KKTYECRIHLZPKN-HUUCEWRRSA-N 0 1 391.537 2.822 20 0 GFADMN COc1ccc2c(c1)CCC[N@@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)C2 ZINC000738073877 599978904 /nfs/dbraw/zinc/97/89/04/599978904.db2.gz NGNSELGSOIYUBT-UHFFFAOYSA-N 0 1 383.448 2.850 20 0 GFADMN COc1ccc2c(c1)CCC[N@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)C2 ZINC000738073877 599978906 /nfs/dbraw/zinc/97/89/06/599978906.db2.gz NGNSELGSOIYUBT-UHFFFAOYSA-N 0 1 383.448 2.850 20 0 GFADMN CCOC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737144732 599994790 /nfs/dbraw/zinc/99/47/90/599994790.db2.gz QZXIYGDMVGSOKH-AWEZNQCLSA-N 0 1 391.468 2.573 20 0 GFADMN Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738262534 599995083 /nfs/dbraw/zinc/99/50/83/599995083.db2.gz BNSLEZKIQBIYJM-UHFFFAOYSA-N 0 1 391.431 2.514 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000736879418 600014193 /nfs/dbraw/zinc/01/41/93/600014193.db2.gz QHAFGHOPNBPVAL-FASAQXTFSA-N 0 1 396.915 2.701 20 0 GFADMN CC(C)C[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000736413849 600014300 /nfs/dbraw/zinc/01/43/00/600014300.db2.gz VNSDSQBHVUGJIL-PKOBYXMFSA-N 0 1 396.915 2.701 20 0 GFADMN CCOc1ccc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000737205202 600031892 /nfs/dbraw/zinc/03/18/92/600031892.db2.gz GUGGZTYEHJXUHC-HXUWFJFHSA-N 0 1 382.460 2.555 20 0 GFADMN CCOc1ccc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000737205202 600031894 /nfs/dbraw/zinc/03/18/94/600031894.db2.gz GUGGZTYEHJXUHC-HXUWFJFHSA-N 0 1 382.460 2.555 20 0 GFADMN Cc1onc2c1c(C(=O)[O-])nn(C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)c2=O ZINC000738989864 600033434 /nfs/dbraw/zinc/03/34/34/600033434.db2.gz JLRBTCBKFHTFRX-MRXNPFEDSA-N 0 1 388.399 2.865 20 0 GFADMN O=C([O-])c1ccc2c(c1)nc(C[NH+]1C[C@H]3CN(c4ccccc4)C[C@@H]3C1)[nH]c2=O ZINC000740188604 600088000 /nfs/dbraw/zinc/08/80/00/600088000.db2.gz DVMYGCNPHQJHIX-HOTGVXAUSA-N 0 1 390.443 2.602 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736482 600094504 /nfs/dbraw/zinc/09/45/04/600094504.db2.gz NOWTXBIBQUWDHF-AEFFLSMTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736482 600094508 /nfs/dbraw/zinc/09/45/08/600094508.db2.gz NOWTXBIBQUWDHF-AEFFLSMTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1cc(N2CCC[C@H](OC(=O)CCc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738409366 600100630 /nfs/dbraw/zinc/10/06/30/600100630.db2.gz USYWHHUPUMAREK-SFHVURJKSA-N 0 1 383.448 2.936 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000737861775 600232620 /nfs/dbraw/zinc/23/26/20/600232620.db2.gz FLCRBPRCUAAHHV-HZPDHXFCSA-N 0 1 375.421 2.953 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736813741 600329391 /nfs/dbraw/zinc/32/93/91/600329391.db2.gz UMWOZXIDQRFLIQ-KXBFYZLASA-N 0 1 383.448 2.656 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736813741 600329393 /nfs/dbraw/zinc/32/93/93/600329393.db2.gz UMWOZXIDQRFLIQ-KXBFYZLASA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736820828 600333142 /nfs/dbraw/zinc/33/31/42/600333142.db2.gz GXRLKGYRMAGEAR-CBCDQGKLSA-N 0 1 390.505 2.728 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736820828 600333144 /nfs/dbraw/zinc/33/31/44/600333144.db2.gz GXRLKGYRMAGEAR-CBCDQGKLSA-N 0 1 390.505 2.728 20 0 GFADMN CC(C)(CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000736320360 600345476 /nfs/dbraw/zinc/34/54/76/600345476.db2.gz OIGPWBZINMKRLU-GOSISDBHSA-N 0 1 385.508 2.720 20 0 GFADMN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000736572829 600375011 /nfs/dbraw/zinc/37/50/11/600375011.db2.gz SDOMAVYIZWJMCZ-ZDUSSCGKSA-N 0 1 387.411 2.669 20 0 GFADMN O=C([O-])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000649464706 600424677 /nfs/dbraw/zinc/42/46/77/600424677.db2.gz QUYVNUAVUUKILB-HNNXBMFYSA-N 0 1 393.365 2.803 20 0 GFADMN O=C([O-])CSCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739847557 600424929 /nfs/dbraw/zinc/42/49/29/600424929.db2.gz YBHLIZXWLWLUCA-CQSZACIVSA-N 0 1 390.427 2.604 20 0 GFADMN COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000582791616 600441880 /nfs/dbraw/zinc/44/18/80/600441880.db2.gz APMZCCBYBTXVOX-CRAIPNDOSA-N 0 1 382.460 2.888 20 0 GFADMN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1nccs1 ZINC000736920506 600453266 /nfs/dbraw/zinc/45/32/66/600453266.db2.gz VAXQHOVRUDHWBP-HZMBPMFUSA-N 0 1 391.449 2.696 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000740018821 600463120 /nfs/dbraw/zinc/46/31/20/600463120.db2.gz VTPSOTUCKDJQKA-LJQANCHMSA-N 0 1 382.464 2.893 20 0 GFADMN CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@@H]1CCOC1 ZINC000737069739 600508699 /nfs/dbraw/zinc/50/86/99/600508699.db2.gz QISOAXFSICINIG-JTQLQIEISA-N 0 1 375.252 2.989 20 0 GFADMN CCc1cc2c(C[N@@H+](CCC(=O)[O-])C[C@@H]3CCCO3)cc(=O)oc2cc1O ZINC000737251223 600509090 /nfs/dbraw/zinc/50/90/90/600509090.db2.gz AVYIFEMYVVPIQD-HNNXBMFYSA-N 0 1 375.421 2.517 20 0 GFADMN O=C([O-])CCSCc1cccc(NC(=O)NCC[NH+]2CCSCC2)c1 ZINC000739753602 600512965 /nfs/dbraw/zinc/51/29/65/600512965.db2.gz DBLPBDBLDQEXDF-UHFFFAOYSA-N 0 1 383.539 2.565 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739428098 600534903 /nfs/dbraw/zinc/53/49/03/600534903.db2.gz ZZJGPMUWTIAUAJ-IBGZPJMESA-N 0 1 397.475 2.727 20 0 GFADMN COC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000831418987 600653141 /nfs/dbraw/zinc/65/31/41/600653141.db2.gz OIGMBPSOICTPHO-QWHCGFSZSA-N 0 1 377.441 2.556 20 0 GFADMN O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000739567887 600658254 /nfs/dbraw/zinc/65/82/54/600658254.db2.gz FPYNHXZUWLZRIR-LSDHHAIUSA-N 0 1 380.435 2.936 20 0 GFADMN O=C([O-])C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000738564262 600677934 /nfs/dbraw/zinc/67/79/34/600677934.db2.gz VJJKVMCZAPXFDB-WOJBJXKFSA-N 0 1 382.460 2.610 20 0 GFADMN O=C([O-])C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000738564262 600677936 /nfs/dbraw/zinc/67/79/36/600677936.db2.gz VJJKVMCZAPXFDB-WOJBJXKFSA-N 0 1 382.460 2.610 20 0 GFADMN O=C([O-])c1cc(Cl)cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000740076309 600691191 /nfs/dbraw/zinc/69/11/91/600691191.db2.gz WANJRBKCTJCMRS-OAHLLOKOSA-N 0 1 398.868 2.747 20 0 GFADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000737574415 600712113 /nfs/dbraw/zinc/71/21/13/600712113.db2.gz DGHJGVYJRDJNQH-XUFBONQXSA-N 0 1 392.540 2.900 20 0 GFADMN CC(C)[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[NH+]1CCCC1 ZINC000736349978 600735308 /nfs/dbraw/zinc/73/53/08/600735308.db2.gz SERYXQXQLUHTRS-INIZCTEOSA-N 0 1 394.493 2.537 20 0 GFADMN O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263204952 600749408 /nfs/dbraw/zinc/74/94/08/600749408.db2.gz HZXHJVWEVIHOHR-GOEBONIOSA-N 0 1 399.413 2.786 20 0 GFADMN O=C([O-])c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)o1 ZINC000833314470 600751141 /nfs/dbraw/zinc/75/11/41/600751141.db2.gz KYKDYJRTFSFJHR-CQSZACIVSA-N 0 1 380.347 2.864 20 0 GFADMN C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736642364 600783743 /nfs/dbraw/zinc/78/37/43/600783743.db2.gz ZRLRQDPRWSTOTK-DYESRHJHSA-N 0 1 396.487 2.723 20 0 GFADMN C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736642364 600783746 /nfs/dbraw/zinc/78/37/46/600783746.db2.gz ZRLRQDPRWSTOTK-DYESRHJHSA-N 0 1 396.487 2.723 20 0 GFADMN COC(=O)c1sc(NC(=O)CC[N@@H+](C)Cc2ccoc2)c(C(=O)[O-])c1C ZINC000831475919 600820039 /nfs/dbraw/zinc/82/00/39/600820039.db2.gz RCOCOYYEQRCCJP-UHFFFAOYSA-N 0 1 380.422 2.595 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(OC)c1 ZINC000832273204 600823394 /nfs/dbraw/zinc/82/33/94/600823394.db2.gz PPVJOKBMWZBUGF-KBXCAEBGSA-N 0 1 390.480 2.552 20 0 GFADMN C[C@@H](O)C[N@@H+](C)C1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000827796053 600825971 /nfs/dbraw/zinc/82/59/71/600825971.db2.gz KLFUSOLPVRKABC-CQSZACIVSA-N 0 1 389.521 2.785 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccs2)cc(C(=O)[O-])c1 ZINC000831257632 600847213 /nfs/dbraw/zinc/84/72/13/600847213.db2.gz LAJQEZSRTNZWKO-GFCCVEGCSA-N 0 1 390.461 2.734 20 0 GFADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000828752950 600855863 /nfs/dbraw/zinc/85/58/63/600855863.db2.gz AJNREAZVNICGCE-GFCCVEGCSA-N 0 1 395.525 2.500 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1)c1ccc2ccccc2c1 ZINC000572403534 600857669 /nfs/dbraw/zinc/85/76/69/600857669.db2.gz PBZMWLVYZIDJMG-INIZCTEOSA-N 0 1 384.476 2.973 20 0 GFADMN O=C([O-])CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCOCC1 ZINC000568867081 600965080 /nfs/dbraw/zinc/96/50/80/600965080.db2.gz PDNMRSMLQFFPEK-KRWDZBQOSA-N 0 1 392.471 2.520 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000568065815 601023810 /nfs/dbraw/zinc/02/38/10/601023810.db2.gz HMDWUIBDGQWKEF-FXAWDEMLSA-N 0 1 396.487 2.928 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000833221630 601026871 /nfs/dbraw/zinc/02/68/71/601026871.db2.gz JNPHQTUIWYAGCG-LBPRGKRZSA-N 0 1 391.320 2.544 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)NCCc1cccc(Cl)c1Cl ZINC000833221630 601026873 /nfs/dbraw/zinc/02/68/73/601026873.db2.gz JNPHQTUIWYAGCG-LBPRGKRZSA-N 0 1 391.320 2.544 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000833009051 601047969 /nfs/dbraw/zinc/04/79/69/601047969.db2.gz KDHYBLJCUAHQNY-UHFFFAOYSA-N 0 1 379.420 2.915 20 0 GFADMN O=C([O-])c1ccsc1N1CC[C@@H]([NH2+][C@@H](Cn2cccn2)c2ccccc2)C1=O ZINC000833341104 601053783 /nfs/dbraw/zinc/05/37/83/601053783.db2.gz LICIMCNWBJDKJB-SJORKVTESA-N 0 1 396.472 2.779 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(CC(=O)[O-])n3)cc2)C1 ZINC000828265355 601060918 /nfs/dbraw/zinc/06/09/18/601060918.db2.gz AEIVGWLCNMPALV-OAHLLOKOSA-N 0 1 385.468 2.521 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1OC ZINC000831903435 601079228 /nfs/dbraw/zinc/07/92/28/601079228.db2.gz KHOGUFXIAGGFHW-STQMWFEESA-N 0 1 379.457 2.786 20 0 GFADMN COCc1c(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)sc2cccc(F)c21 ZINC000630225847 601085929 /nfs/dbraw/zinc/08/59/29/601085929.db2.gz VXRFIFDMSHUWFP-GFCCVEGCSA-N 0 1 394.468 2.808 20 0 GFADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000827380300 601106470 /nfs/dbraw/zinc/10/64/70/601106470.db2.gz QVMQHGNSURQRQK-LBPRGKRZSA-N 0 1 377.441 2.570 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000740281139 601117146 /nfs/dbraw/zinc/11/71/46/601117146.db2.gz QGXGBMYPPBFNSI-ZDUSSCGKSA-N 0 1 384.461 2.702 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCO[C@@H](CNc2cccnn2)C1 ZINC000740281139 601117148 /nfs/dbraw/zinc/11/71/48/601117148.db2.gz QGXGBMYPPBFNSI-ZDUSSCGKSA-N 0 1 384.461 2.702 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295272 601119488 /nfs/dbraw/zinc/11/94/88/601119488.db2.gz CQWRMFTXPITRJX-NQIIRXRSSA-N 0 1 398.503 2.721 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295272 601119490 /nfs/dbraw/zinc/11/94/90/601119490.db2.gz CQWRMFTXPITRJX-NQIIRXRSSA-N 0 1 398.503 2.721 20 0 GFADMN C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000828295272 601119493 /nfs/dbraw/zinc/11/94/93/601119493.db2.gz CQWRMFTXPITRJX-NQIIRXRSSA-N 0 1 398.503 2.721 20 0 GFADMN Cc1cc(NC(=O)N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)ccc1C(=O)[O-] ZINC000832894143 601128068 /nfs/dbraw/zinc/12/80/68/601128068.db2.gz FKJXGEBBKGRRQQ-JXFKEZNVSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)ccc1C(=O)[O-] ZINC000832894143 601128070 /nfs/dbraw/zinc/12/80/70/601128070.db2.gz FKJXGEBBKGRRQQ-JXFKEZNVSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1ccc(NC(=O)N2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000832945624 601133848 /nfs/dbraw/zinc/13/38/48/601133848.db2.gz HABIHDURXOGINK-UZLBHIALSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1ccc(NC(=O)N2CC[N@@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000832945624 601133849 /nfs/dbraw/zinc/13/38/49/601133849.db2.gz HABIHDURXOGINK-UZLBHIALSA-N 0 1 397.475 2.965 20 0 GFADMN C/C(=C\C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000825746380 601156741 /nfs/dbraw/zinc/15/67/41/601156741.db2.gz HKBAMUOEFBGESY-RBNQXFGJSA-N 0 1 396.462 2.942 20 0 GFADMN C/C(=C\C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000825746380 601156744 /nfs/dbraw/zinc/15/67/44/601156744.db2.gz HKBAMUOEFBGESY-RBNQXFGJSA-N 0 1 396.462 2.942 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]1c1ccccc1 ZINC000828432803 601179123 /nfs/dbraw/zinc/17/91/23/601179123.db2.gz OOOCXQQVECSQAM-UPKQVVFYSA-N 0 1 391.471 2.973 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]1c1ccccc1 ZINC000828432803 601179125 /nfs/dbraw/zinc/17/91/25/601179125.db2.gz OOOCXQQVECSQAM-UPKQVVFYSA-N 0 1 391.471 2.973 20 0 GFADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000832961663 601198442 /nfs/dbraw/zinc/19/84/42/601198442.db2.gz IWEKRJXRDJHULW-IEBWSBKVSA-N 0 1 386.473 2.690 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000826051509 601202626 /nfs/dbraw/zinc/20/26/26/601202626.db2.gz CNIYXIQUCQGUCZ-KBXCAEBGSA-N 0 1 392.477 2.616 20 0 GFADMN Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n2nc(C(=O)[O-])nc2n1 ZINC000832896218 601214042 /nfs/dbraw/zinc/21/40/42/601214042.db2.gz CXGIJCMLXWOJOI-GDBMZVCRSA-N 0 1 380.452 2.596 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737721847 601225822 /nfs/dbraw/zinc/22/58/22/601225822.db2.gz RJBHGOOPKUERIM-UKRRQHHQSA-N 0 1 392.452 2.638 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1C ZINC000067244542 601240308 /nfs/dbraw/zinc/24/03/08/601240308.db2.gz GDFSDPXMWQQQEM-QGZVFWFLSA-N 0 1 388.489 2.683 20 0 GFADMN C[C@@H](CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000379647019 601260893 /nfs/dbraw/zinc/26/08/93/601260893.db2.gz ZGTULYTZYVTAJB-INIZCTEOSA-N 0 1 390.505 2.715 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000828456472 601335005 /nfs/dbraw/zinc/33/50/05/601335005.db2.gz MBVGEXKLDMQJNG-BHIYHBOVSA-N 0 1 385.508 2.793 20 0 GFADMN Cc1ccc(N2CC[N@@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@H](C)C2)cc1C ZINC000832937644 601378028 /nfs/dbraw/zinc/37/80/28/601378028.db2.gz AQTIBVBRENODMS-QZTJIDSGSA-N 0 1 387.524 2.526 20 0 GFADMN Cc1ccc(N2CC[N@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@H](C)C2)cc1C ZINC000832937644 601378030 /nfs/dbraw/zinc/37/80/30/601378030.db2.gz AQTIBVBRENODMS-QZTJIDSGSA-N 0 1 387.524 2.526 20 0 GFADMN Cc1ccc(N2CC[N@@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@H](C)C2)cc1C ZINC000832937641 601378431 /nfs/dbraw/zinc/37/84/31/601378431.db2.gz AQTIBVBRENODMS-MSOLQXFVSA-N 0 1 387.524 2.526 20 0 GFADMN Cc1ccc(N2CC[N@H+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)[C@H](C)C2)cc1C ZINC000832937641 601378433 /nfs/dbraw/zinc/37/84/33/601378433.db2.gz AQTIBVBRENODMS-MSOLQXFVSA-N 0 1 387.524 2.526 20 0 GFADMN Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924378 601450285 /nfs/dbraw/zinc/45/02/85/601450285.db2.gz IZYOCIZSUOWBSF-VWPQPMDRSA-N 0 1 387.451 2.961 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000832887885 601479939 /nfs/dbraw/zinc/47/99/39/601479939.db2.gz ARJPZZBGHMMLCR-UHFFFAOYSA-N 0 1 387.415 2.721 20 0 GFADMN O=C([O-])CCC1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000656601806 601485443 /nfs/dbraw/zinc/48/54/43/601485443.db2.gz MBKHOOFASTWXTB-UHFFFAOYSA-N 0 1 389.496 2.670 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)CC3(CC(=O)[O-])CC3)cc2)C1 ZINC000828266318 601507240 /nfs/dbraw/zinc/50/72/40/601507240.db2.gz STLREGMVBOSNHN-INIZCTEOSA-N 0 1 394.537 2.593 20 0 GFADMN C[C@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C(=O)[O-] ZINC000828462883 601514992 /nfs/dbraw/zinc/51/49/92/601514992.db2.gz NHXRTDILIKICRC-GWCFXTLKSA-N 0 1 380.242 2.575 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828438770 601525197 /nfs/dbraw/zinc/52/51/97/601525197.db2.gz FLSWSBPLPDCWLN-UZLBHIALSA-N 0 1 382.460 2.534 20 0 GFADMN COc1ccc(NC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1OC ZINC000832394266 601539865 /nfs/dbraw/zinc/53/98/65/601539865.db2.gz PDHNJZHKTJXOAB-WBVHZDCISA-N 0 1 390.480 2.998 20 0 GFADMN COc1ccc(NC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1OC ZINC000832394266 601539867 /nfs/dbraw/zinc/53/98/67/601539867.db2.gz PDHNJZHKTJXOAB-WBVHZDCISA-N 0 1 390.480 2.998 20 0 GFADMN CS(=O)(=O)c1ccc(OCCC[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000574213670 601546051 /nfs/dbraw/zinc/54/60/51/601546051.db2.gz ZAJMMJAQDGXSNU-LJQANCHMSA-N 0 1 389.473 2.543 20 0 GFADMN C[C@H]1C[C@H](NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C[N@H+]1C1CC1 ZINC000828177131 601557094 /nfs/dbraw/zinc/55/70/94/601557094.db2.gz NZCVTISCJHCVJZ-JSGCOSHPSA-N 0 1 382.464 2.559 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000833105588 601563830 /nfs/dbraw/zinc/56/38/30/601563830.db2.gz LLDXKGITWMYVLQ-GHTZIAJQSA-N 0 1 391.471 2.597 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000833105588 601563831 /nfs/dbraw/zinc/56/38/31/601563831.db2.gz LLDXKGITWMYVLQ-GHTZIAJQSA-N 0 1 391.471 2.597 20 0 GFADMN O=C([O-])C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000833219638 601572487 /nfs/dbraw/zinc/57/24/87/601572487.db2.gz BHWXZXYHMFFOQR-KRWDZBQOSA-N 0 1 384.432 2.983 20 0 GFADMN O=C([O-])C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CCO1 ZINC000833219638 601572488 /nfs/dbraw/zinc/57/24/88/601572488.db2.gz BHWXZXYHMFFOQR-KRWDZBQOSA-N 0 1 384.432 2.983 20 0 GFADMN CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C[C@H]1C ZINC000829754299 601587481 /nfs/dbraw/zinc/58/74/81/601587481.db2.gz VPTCQRLYXMPEPQ-TZMCWYRMSA-N 0 1 379.457 2.739 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])sc3C)C2)o1 ZINC000830290673 601647035 /nfs/dbraw/zinc/64/70/35/601647035.db2.gz VWGZZLVEHNWFNF-OAHLLOKOSA-N 0 1 391.493 2.928 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)Cc2c(F)cccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116881 601732756 /nfs/dbraw/zinc/73/27/56/601732756.db2.gz RAOOJXNQGPMIDI-OAQYLSRUSA-N 0 1 388.414 2.743 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2ccc(F)c(F)c2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128950 601778150 /nfs/dbraw/zinc/77/81/50/601778150.db2.gz PRYFKIGYBATRIK-FQEVSTJZSA-N 0 1 392.377 2.953 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)CC2)cs1 ZINC000833001243 601786252 /nfs/dbraw/zinc/78/62/52/601786252.db2.gz RVJJTZHAANHGKP-KRWDZBQOSA-N 0 1 379.526 2.813 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000833009240 601800210 /nfs/dbraw/zinc/80/02/10/601800210.db2.gz OAKDQAFLBBXUTA-LLVKDONJSA-N 0 1 391.474 2.980 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000833009241 601800364 /nfs/dbraw/zinc/80/03/64/601800364.db2.gz OAKDQAFLBBXUTA-NSHDSACASA-N 0 1 391.474 2.980 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)C2=O)c1 ZINC000833329408 601876721 /nfs/dbraw/zinc/87/67/21/601876721.db2.gz CYBCQXRCLUQZCY-FLOBVVSRSA-N 0 1 383.448 2.621 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515463 601926117 /nfs/dbraw/zinc/92/61/17/601926117.db2.gz IIFVOFDHWWNCBT-ZWKOTPCHSA-N 0 1 398.500 2.986 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515463 601926119 /nfs/dbraw/zinc/92/61/19/601926119.db2.gz IIFVOFDHWWNCBT-ZWKOTPCHSA-N 0 1 398.500 2.986 20 0 GFADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012579 601926575 /nfs/dbraw/zinc/92/65/75/601926575.db2.gz HHBPVHWVWAXOFL-MFKMUULPSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012579 601926577 /nfs/dbraw/zinc/92/65/77/601926577.db2.gz HHBPVHWVWAXOFL-MFKMUULPSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262747410 601932573 /nfs/dbraw/zinc/93/25/73/601932573.db2.gz AQSMDGFTOHERHI-SIKLNZKXSA-N 0 1 396.443 2.569 20 0 GFADMN O=C([O-])N1CCC([N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000740500636 601933754 /nfs/dbraw/zinc/93/37/54/601933754.db2.gz QTGLVRMOAKVDKU-UHFFFAOYSA-N 0 1 386.901 2.721 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000740500636 601933757 /nfs/dbraw/zinc/93/37/57/601933757.db2.gz QTGLVRMOAKVDKU-UHFFFAOYSA-N 0 1 386.901 2.721 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000263580412 601937907 /nfs/dbraw/zinc/93/79/07/601937907.db2.gz VYOSWJWNJSOJKF-CWTRNNRKSA-N 0 1 389.477 2.942 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000829872881 601948543 /nfs/dbraw/zinc/94/85/43/601948543.db2.gz BNEDKNXLFMQPAO-VOJFVSQTSA-N 0 1 382.482 2.611 20 0 GFADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000830819533 601953683 /nfs/dbraw/zinc/95/36/83/601953683.db2.gz USTFHKUBNICNCF-CYBMUJFWSA-N 0 1 376.482 2.803 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000740647038 601956018 /nfs/dbraw/zinc/95/60/18/601956018.db2.gz WLXXTRVNWOUDQL-JTQLQIEISA-N 0 1 381.230 2.589 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000740647038 601956020 /nfs/dbraw/zinc/95/60/20/601956020.db2.gz WLXXTRVNWOUDQL-JTQLQIEISA-N 0 1 381.230 2.589 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000740647203 602045737 /nfs/dbraw/zinc/04/57/37/602045737.db2.gz YVJOLTUHIQOJSW-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000740647203 602045741 /nfs/dbraw/zinc/04/57/41/602045741.db2.gz YVJOLTUHIQOJSW-QMMMGPOBSA-N 0 1 387.259 2.650 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)C1 ZINC000739083431 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FNORDWWVBBGSCJ-PKSBALPTSA-N 0 1 382.432 2.775 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000739010549 602266365 /nfs/dbraw/zinc/26/63/65/602266365.db2.gz OJIPAUMWDNFNNS-CJNGLKHVSA-N 0 1 399.438 2.757 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C[C@@H](C)O1 ZINC000739174122 602279709 /nfs/dbraw/zinc/27/97/09/602279709.db2.gz HOULUJRTNZQKOW-ZIAGYGMSSA-N 0 1 390.484 2.736 20 0 GFADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739081072 602288232 /nfs/dbraw/zinc/28/82/32/602288232.db2.gz PFCLUKPKPMVFJQ-XHSDSOJGSA-N 0 1 392.500 2.821 20 0 GFADMN CC(C)(CNC(=O)[C@H](NC(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000738753494 602382773 /nfs/dbraw/zinc/38/27/73/602382773.db2.gz XXFBZNWKOHLPMB-LJQANCHMSA-N 0 1 381.476 2.948 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCNC(=O)[O-])C1 ZINC000739081197 602392944 /nfs/dbraw/zinc/39/29/44/602392944.db2.gz QIAWKTHDIVXDDA-IYBDPMFKSA-N 0 1 376.501 2.621 20 0 GFADMN COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c1C ZINC000739806777 602448283 /nfs/dbraw/zinc/44/82/83/602448283.db2.gz NHTJRUOHJVCXMB-LSDHHAIUSA-N 0 1 379.501 2.863 20 0 GFADMN CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000824162957 607570801 /nfs/dbraw/zinc/57/08/01/607570801.db2.gz WHZOEIOKICICHD-UHFFFAOYSA-N 0 1 382.346 2.821 20 0 GFADMN C[N@@H+](CCNC(=O)C1(Nc2ccccc2)CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000739689380 602521181 /nfs/dbraw/zinc/52/11/81/602521181.db2.gz FGEBEFDYMVFWAO-UHFFFAOYSA-N 0 1 388.512 2.602 20 0 GFADMN CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000738812049 602532116 /nfs/dbraw/zinc/53/21/16/602532116.db2.gz YDEFOBUPLQPADA-GPMSIDNRSA-N 0 1 391.512 2.708 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739660701 602537741 /nfs/dbraw/zinc/53/77/41/602537741.db2.gz PJDGMKRWZFTLST-OAHLLOKOSA-N 0 1 387.402 2.509 20 0 GFADMN 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C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833547865 605869598 /nfs/dbraw/zinc/86/95/98/605869598.db2.gz FKJUTPXPOCHYJP-QRWLVFNGSA-N 0 1 379.460 2.973 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000833835199 605894417 /nfs/dbraw/zinc/89/44/17/605894417.db2.gz VSDIUYGCCOOFAX-RYUDHWBXSA-N 0 1 384.274 2.756 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000833829239 605906456 /nfs/dbraw/zinc/90/64/56/605906456.db2.gz HBGOYQAOXXXZKQ-QWRGUYRKSA-N 0 1 380.495 2.788 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000833829239 605906458 /nfs/dbraw/zinc/90/64/58/605906458.db2.gz HBGOYQAOXXXZKQ-QWRGUYRKSA-N 0 1 380.495 2.788 20 0 GFADMN O=C([O-])N[C@H](CC(F)F)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000834136649 606009699 /nfs/dbraw/zinc/00/96/99/606009699.db2.gz GTAOGAPIIDBVNX-CYBMUJFWSA-N 0 1 382.367 2.533 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000821128692 606163004 /nfs/dbraw/zinc/16/30/04/606163004.db2.gz ZOZQGNIMTLNLMI-UHFFFAOYSA-N 0 1 390.444 2.937 20 0 GFADMN O=C1[C@@H](NCc2cc(-c3nn[nH]n3)cs2)CCCN1c1ccccc1Cl ZINC000823514161 606222435 /nfs/dbraw/zinc/22/24/35/606222435.db2.gz XBECBANSQYEILQ-AWEZNQCLSA-N 0 1 388.884 2.867 20 0 GFADMN CC1(C)CN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000820601994 606377770 /nfs/dbraw/zinc/37/77/70/606377770.db2.gz XOTRNRVLMXSCHF-IEBWSBKVSA-N 0 1 379.464 2.690 20 0 GFADMN Brc1cccc(OCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819689030 606410366 /nfs/dbraw/zinc/41/03/66/606410366.db2.gz SRBVKICIHWMYGO-UHFFFAOYSA-N 0 1 380.271 2.859 20 0 GFADMN Brc1cccc(OCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000819689030 606410368 /nfs/dbraw/zinc/41/03/68/606410368.db2.gz SRBVKICIHWMYGO-UHFFFAOYSA-N 0 1 380.271 2.859 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000823767383 606415848 /nfs/dbraw/zinc/41/58/48/606415848.db2.gz QKLZATNUASONFL-UHFFFAOYSA-N 0 1 378.465 2.587 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000823767383 606415850 /nfs/dbraw/zinc/41/58/50/606415850.db2.gz QKLZATNUASONFL-UHFFFAOYSA-N 0 1 378.465 2.587 20 0 GFADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000820055224 606417518 /nfs/dbraw/zinc/41/75/18/606417518.db2.gz GARQEUYVTFOCCV-LBPRGKRZSA-N 0 1 380.518 2.957 20 0 GFADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820055224 606417520 /nfs/dbraw/zinc/41/75/20/606417520.db2.gz GARQEUYVTFOCCV-LBPRGKRZSA-N 0 1 380.518 2.957 20 0 GFADMN O=C(CN1CCC(c2ccc(F)cc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992775 606455715 /nfs/dbraw/zinc/45/57/15/606455715.db2.gz MCOGLQOXYAVHQF-UHFFFAOYSA-N 0 1 394.454 2.502 20 0 GFADMN Clc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC000822573909 606467475 /nfs/dbraw/zinc/46/74/75/606467475.db2.gz KUCLPZHKPVSQPJ-UHFFFAOYSA-N 0 1 399.886 2.553 20 0 GFADMN Clc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC000822573909 606467477 /nfs/dbraw/zinc/46/74/77/606467477.db2.gz KUCLPZHKPVSQPJ-UHFFFAOYSA-N 0 1 399.886 2.553 20 0 GFADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819928461 606753183 /nfs/dbraw/zinc/75/31/83/606753183.db2.gz QAXCASIUNASRDZ-CYBMUJFWSA-N 0 1 375.448 2.950 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803983 606780665 /nfs/dbraw/zinc/78/06/65/606780665.db2.gz KQZURLBZFMTHFN-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cccc2ccccc21 ZINC000820803983 606780666 /nfs/dbraw/zinc/78/06/66/606780666.db2.gz KQZURLBZFMTHFN-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cccc2ccccc21 ZINC000820803983 606780668 /nfs/dbraw/zinc/78/06/68/606780668.db2.gz KQZURLBZFMTHFN-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cccc2ccccc21 ZINC000820803983 606780670 /nfs/dbraw/zinc/78/06/70/606780670.db2.gz KQZURLBZFMTHFN-HNNXBMFYSA-N 0 1 386.463 2.521 20 0 GFADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000819835213 606788125 /nfs/dbraw/zinc/78/81/25/606788125.db2.gz TVTDROPVKGDAFO-UHFFFAOYSA-N 0 1 395.803 2.663 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)CN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606949 606893304 /nfs/dbraw/zinc/89/33/04/606893304.db2.gz GPUHKDUGBHXYGP-RTBURBONSA-N 0 1 379.464 2.752 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804305 606897431 /nfs/dbraw/zinc/89/74/31/606897431.db2.gz QAOZFHXRINFBPQ-IPZZXCBHSA-N 0 1 379.464 2.751 20 0 GFADMN CC(C)[C@@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[NH+](C)C ZINC000735690268 607207596 /nfs/dbraw/zinc/20/75/96/607207596.db2.gz IJKOKHIXZWZIQJ-KRWDZBQOSA-N 0 1 384.509 2.798 20 0 GFADMN CC1(c2ccccc2)CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843744 607800658 /nfs/dbraw/zinc/80/06/58/607800658.db2.gz JXSJWTYGGNZIHE-UHFFFAOYSA-N 0 1 376.464 2.859 20 0 GFADMN CCCN(CCNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825313751 607820783 /nfs/dbraw/zinc/82/07/83/607820783.db2.gz QGDMKTZXEXFDBD-UHFFFAOYSA-N 0 1 378.452 2.743 20 0 GFADMN Cc1c(C)c(C)c(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1C ZINC000826235320 608036136 /nfs/dbraw/zinc/03/61/36/608036136.db2.gz HLEPRMVKYZDQKC-UHFFFAOYSA-N 0 1 382.516 2.779 20 0 GFADMN Cc1c(C)c(C)c(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1C ZINC000826235320 608036137 /nfs/dbraw/zinc/03/61/37/608036137.db2.gz HLEPRMVKYZDQKC-UHFFFAOYSA-N 0 1 382.516 2.779 20 0 GFADMN Cc1c(C)c(C)c(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1C ZINC000826235320 608036138 /nfs/dbraw/zinc/03/61/38/608036138.db2.gz HLEPRMVKYZDQKC-UHFFFAOYSA-N 0 1 382.516 2.779 20 0 GFADMN Cc1c(C)c(C)c(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1C ZINC000826235320 608036139 /nfs/dbraw/zinc/03/61/39/608036139.db2.gz HLEPRMVKYZDQKC-UHFFFAOYSA-N 0 1 382.516 2.779 20 0 GFADMN Cc1cccc([C@@H]2CCN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297846 608128013 /nfs/dbraw/zinc/12/80/13/608128013.db2.gz VCEJFCOJLYHCHO-QUCCMNQESA-N 0 1 388.475 2.770 20 0 GFADMN COc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[nH]n1 ZINC000826202356 608287047 /nfs/dbraw/zinc/28/70/47/608287047.db2.gz XTDQLNSLHMYOQD-LBPRGKRZSA-N 0 1 396.451 2.693 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826332103 608310753 /nfs/dbraw/zinc/31/07/53/608310753.db2.gz JSDILPLWQHCMJY-UHFFFAOYSA-N 0 1 385.475 2.960 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C2Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826332103 608310755 /nfs/dbraw/zinc/31/07/55/608310755.db2.gz JSDILPLWQHCMJY-UHFFFAOYSA-N 0 1 385.475 2.960 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826332103 608310758 /nfs/dbraw/zinc/31/07/58/608310758.db2.gz JSDILPLWQHCMJY-UHFFFAOYSA-N 0 1 385.475 2.960 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)C2Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826332103 608310760 /nfs/dbraw/zinc/31/07/60/608310760.db2.gz JSDILPLWQHCMJY-UHFFFAOYSA-N 0 1 385.475 2.960 20 0 GFADMN CN1CCCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826034437 608327668 /nfs/dbraw/zinc/32/76/68/608327668.db2.gz QRETVNGFRUDOIQ-LJQANCHMSA-N 0 1 376.464 2.634 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000826168840 608352941 /nfs/dbraw/zinc/35/29/41/608352941.db2.gz ADCLCBKWUJCVSG-KRWDZBQOSA-N 0 1 393.447 2.984 20 0 GFADMN COc1ccc(C2(NCc3ccc(-c4nn[nH]n4)cc3OC)CCOCC2)cc1 ZINC000826190118 608370995 /nfs/dbraw/zinc/37/09/95/608370995.db2.gz PUUPRDGEZYAYDL-UHFFFAOYSA-N 0 1 395.463 2.679 20 0 GFADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000824764265 608417785 /nfs/dbraw/zinc/41/77/85/608417785.db2.gz UYEUGCNKJCFMKW-OAHLLOKOSA-N 0 1 388.479 2.622 20 0 GFADMN OCC[C@@H](NCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccccc1 ZINC000826509424 608432921 /nfs/dbraw/zinc/43/29/21/608432921.db2.gz VLJDVWOGKXYSSF-OAHLLOKOSA-N 0 1 375.379 2.681 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826170145 608449286 /nfs/dbraw/zinc/44/92/86/608449286.db2.gz PTDFSINBLRDXFD-GFCCVEGCSA-N 0 1 399.451 2.752 20 0 GFADMN CCOc1ccccc1[C@H](CC)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825654025 608458429 /nfs/dbraw/zinc/45/84/29/608458429.db2.gz MUAFCXRNKZGXOA-SFHVURJKSA-N 0 1 394.479 2.623 20 0 GFADMN CCOc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825639446 608461590 /nfs/dbraw/zinc/46/15/90/608461590.db2.gz WFXSUKXCPYEBKK-HNNXBMFYSA-N 0 1 394.479 2.575 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826183817 608475457 /nfs/dbraw/zinc/47/54/57/608475457.db2.gz AZFXSTXPDUGJDY-AWEZNQCLSA-N 0 1 392.463 2.853 20 0 GFADMN Cc1oc(NC(=O)C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341652 608478033 /nfs/dbraw/zinc/47/80/33/608478033.db2.gz MRXGGMMRBPZZLL-AWEZNQCLSA-N 0 1 382.468 2.971 20 0 GFADMN Cc1ccc(CN(C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)C2CC2)o1 ZINC000826287546 608529404 /nfs/dbraw/zinc/52/94/04/608529404.db2.gz SXZVGMLKGHPLLN-UHFFFAOYSA-N 0 1 392.463 2.538 20 0 GFADMN CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000825059974 608578343 /nfs/dbraw/zinc/57/83/43/608578343.db2.gz MSULXKAIOBAARX-JSGCOSHPSA-N 0 1 399.499 2.889 20 0 GFADMN C[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)CN1C ZINC000824978762 608594783 /nfs/dbraw/zinc/59/47/83/608594783.db2.gz XBMQHDMHGHSHNI-GJZGRUSLSA-N 0 1 391.479 2.775 20 0 GFADMN CCCOc1ccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cc1 ZINC000825338549 608611359 /nfs/dbraw/zinc/61/13/59/608611359.db2.gz CHFQUYDETWKMPX-UHFFFAOYSA-N 0 1 386.437 2.730 20 0 GFADMN COCCN(CCOc1ccc(F)cc1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000826158476 608695283 /nfs/dbraw/zinc/69/52/83/608695283.db2.gz QWYVMLYYBRJEGY-UHFFFAOYSA-N 0 1 377.445 2.595 20 0 GFADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825211076 608723264 /nfs/dbraw/zinc/72/32/64/608723264.db2.gz KTJHTAZZYMCQSU-JSGCOSHPSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825211076 608723270 /nfs/dbraw/zinc/72/32/70/608723270.db2.gz KTJHTAZZYMCQSU-JSGCOSHPSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000825211076 608723271 /nfs/dbraw/zinc/72/32/71/608723271.db2.gz KTJHTAZZYMCQSU-JSGCOSHPSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825012795 608806617 /nfs/dbraw/zinc/80/66/17/608806617.db2.gz LRDZAFQBWXPSJK-QWQRMKEZSA-N 0 1 397.454 2.753 20 0 GFADMN C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627320 609142792 /nfs/dbraw/zinc/14/27/92/609142792.db2.gz WYFIJAZEFMKCGK-CYBMUJFWSA-N 0 1 398.442 2.809 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000826175473 609149184 /nfs/dbraw/zinc/14/91/84/609149184.db2.gz GQKVFLKMZSCLFU-AAEUAGOBSA-N 0 1 385.390 2.917 20 0 GFADMN Cc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c(C)n1 ZINC000826283350 609167967 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Cc1c(Cl)cnc(NCC2(N3CCOCC3)CCCCC2)c1-c1nn[nH]n1 ZINC000826239609 609520407 /nfs/dbraw/zinc/52/04/07/609520407.db2.gz LMAHOTHNOYWQDH-UHFFFAOYSA-N 0 1 391.907 2.671 20 0 GFADMN c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nnn[n-]5)n4)[C@@H]3C2)cc1 ZINC000826521169 609595229 /nfs/dbraw/zinc/59/52/29/609595229.db2.gz CFCVDJZSEFCKHP-RCCFBDPRSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nnn[n-]5)n4)[C@@H]3C2)cc1 ZINC000826521169 609595231 /nfs/dbraw/zinc/59/52/31/609595231.db2.gz CFCVDJZSEFCKHP-RCCFBDPRSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[n-]n5)n4)[C@@H]3C2)cc1 ZINC000826521169 609595233 /nfs/dbraw/zinc/59/52/33/609595233.db2.gz CFCVDJZSEFCKHP-RCCFBDPRSA-N 0 1 375.480 2.974 20 0 GFADMN c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc(-c5nn[n-]n5)n4)[C@@H]3C2)cc1 ZINC000826521169 609595234 /nfs/dbraw/zinc/59/52/34/609595234.db2.gz CFCVDJZSEFCKHP-RCCFBDPRSA-N 0 1 375.480 2.974 20 0 GFADMN 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CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305925 661640228 /nfs/dbraw/zinc/64/02/28/661640228.db2.gz KKPZLEATBCOOQI-UONOGXRCSA-N 0 1 399.354 2.597 20 0 GFADMN Cc1csc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 ZINC000848455704 661650734 /nfs/dbraw/zinc/65/07/34/661650734.db2.gz CQKKJTXAGIUZPR-VIFPVBQESA-N 0 1 388.433 2.790 20 0 GFADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508113 661658474 /nfs/dbraw/zinc/65/84/74/661658474.db2.gz HTQALEBAFILOJT-GOEBONIOSA-N 0 1 380.901 2.578 20 0 GFADMN O=S(=O)(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(Cl)c2nonc21 ZINC000848509376 661658840 /nfs/dbraw/zinc/65/88/40/661658840.db2.gz JGILNVALZLHCKX-GMSGAONNSA-N 0 1 399.778 2.655 20 0 GFADMN Cn1c(Cl)ncc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000848542597 661663240 /nfs/dbraw/zinc/66/32/40/661663240.db2.gz LYCBUYUQPNKLGG-UHFFFAOYSA-N 0 1 399.720 2.962 20 0 GFADMN CC(=O)NCC[N@H+](Cc1cc2cc(Cl)ccc2nc1Cl)[C@@H](C)C(=O)[O-] ZINC000848598852 661667076 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O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000852231226 661857199 /nfs/dbraw/zinc/85/71/99/661857199.db2.gz KUETWAUHQNQJAL-XWTMOSNGSA-N 0 1 377.579 2.940 20 0 GFADMN COC(=O)NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000852770397 661874104 /nfs/dbraw/zinc/87/41/04/661874104.db2.gz MPROHMCBGXWMLF-CYBMUJFWSA-N 0 1 377.268 2.554 20 0 GFADMN O=C(c1cnn(-c2ccccc2)c1Br)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000852878495 661876244 /nfs/dbraw/zinc/87/62/44/661876244.db2.gz LLQGVGQFVQFHHP-BETUJISGSA-N 0 1 375.270 2.601 20 0 GFADMN Cc1nc(C)c(Br)c(N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 ZINC000853637092 661896009 /nfs/dbraw/zinc/89/60/09/661896009.db2.gz OAZUFSFWAHMPPT-SNVBAGLBSA-N 0 1 395.223 2.751 20 0 GFADMN O=C(NC[C@@H]1CCCCN1CCO)C(F)(F)c1ccc(Br)cc1 ZINC000854743868 661952839 /nfs/dbraw/zinc/95/28/39/661952839.db2.gz PYRNXALOMCXOHQ-AWEZNQCLSA-N 0 1 391.256 2.504 20 0 GFADMN C[C@H](NC(=O)C(F)(F)c1ccc(Br)cc1)[C@H](O)C(F)(F)F ZINC000854919440 661961251 /nfs/dbraw/zinc/96/12/51/661961251.db2.gz 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2.875 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3ncc[nH]3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164798171 721569247 /nfs/dbraw/zinc/56/92/47/721569247.db2.gz ANFYVGOPFGWLPN-ZVDOUQERSA-N 0 1 390.491 2.735 20 0 GFADMN CC(=O)Nc1c(C)ccnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164798744 721573068 /nfs/dbraw/zinc/57/30/68/721573068.db2.gz CCXTUYOYQAPFSI-ZJOUEHCJSA-N 0 1 395.507 2.612 20 0 GFADMN COc1cncnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904941 721695168 /nfs/dbraw/zinc/69/51/68/721695168.db2.gz IBSWLHOYOMDITK-SFHVURJKSA-N 0 1 375.423 2.618 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(-c3cccs3)ncn2)CC1 ZINC001165010407 721746086 /nfs/dbraw/zinc/74/60/86/721746086.db2.gz MHBQHZMPLJCDCO-UHFFFAOYSA-N 0 1 385.537 2.728 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001165012665 721749706 /nfs/dbraw/zinc/74/97/06/721749706.db2.gz LWXVNSFENUVBIZ-UHFFFAOYSA-N 0 1 397.498 2.806 20 0 GFADMN c1ccc(CCN2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)nc1 ZINC001165054770 722016433 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O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000057003971 222028541 /nfs/dbraw/zinc/02/85/41/222028541.db2.gz GHOMFRANVPPAPX-SNVBAGLBSA-N 0 1 391.399 2.881 20 0 GFADMN O=S(=O)(c1ccc(Br)o1)N1CCC[C@H]1CN1CCCCC1 ZINC000408215941 563548095 /nfs/dbraw/zinc/54/80/95/563548095.db2.gz UYSJRCMEPSIGOT-LBPRGKRZSA-N 0 1 377.304 2.681 20 0 GFADMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1nccs1 ZINC000028806483 551124790 /nfs/dbraw/zinc/12/47/90/551124790.db2.gz YDPWXHMPGJHHBH-UHFFFAOYSA-N 0 1 396.295 2.843 20 0 GFADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCN1CCN(C)CC1 ZINC000053718131 551167905 /nfs/dbraw/zinc/16/79/05/551167905.db2.gz WAZGDSNKXUBOOM-UHFFFAOYSA-N 0 1 378.929 2.749 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Br)N1CCC[C@@H](C)C1 ZINC000055240600 551171896 /nfs/dbraw/zinc/17/18/96/551171896.db2.gz PBDJRWRFSNTQPE-NEPJUHHUSA-N 0 1 393.322 2.987 20 0 GFADMN CCN(C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)S(C)(=O)=O ZINC000066883798 551187708 /nfs/dbraw/zinc/18/77/08/551187708.db2.gz 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Cc1nn(C)c(Cl)c1CNC[C@H](O)COc1ccccc1Br ZINC000131023886 551371034 /nfs/dbraw/zinc/37/10/34/551371034.db2.gz WTVZPFWPRKPHPM-NSHDSACASA-N 0 1 388.693 2.674 20 0 GFADMN Cc1ccc(S(=O)(=O)N(C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000131143963 551372846 /nfs/dbraw/zinc/37/28/46/551372846.db2.gz LYNQPUWMRQGKRH-UHFFFAOYSA-N 0 1 379.551 2.779 20 0 GFADMN CCc1cc(C(=O)N(C)[C@H](C(=O)OC)c2cccc(Br)c2)n[nH]1 ZINC000131145571 551372974 /nfs/dbraw/zinc/37/29/74/551372974.db2.gz INMXNHAZGQRCIS-AWEZNQCLSA-N 0 1 380.242 2.721 20 0 GFADMN CCN(C(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000151502322 551414998 /nfs/dbraw/zinc/41/49/98/551414998.db2.gz DSTKPELBZURUOS-UHFFFAOYSA-N 0 1 382.201 2.757 20 0 GFADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1sccc1Br ZINC000152835175 551440473 /nfs/dbraw/zinc/44/04/73/551440473.db2.gz RKMKHWSGWKSIIZ-UHFFFAOYSA-N 0 1 382.283 2.923 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@H](C)N1 ZINC000153501542 551454226 /nfs/dbraw/zinc/45/42/26/551454226.db2.gz IASJBCFZAKWFCC-IUCAKERBSA-N 0 1 378.641 2.767 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COC(=O)CC1(NCc2cccc(Cl)c2Cl)CCS(=O)(=O)CC1 ZINC000439767957 563731242 /nfs/dbraw/zinc/73/12/42/563731242.db2.gz PTSAJBDGXJCLGR-UHFFFAOYSA-N 0 1 380.293 2.594 20 0 GFADMN O=Cc1ccc(OCC(=O)N[C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000363757582 563732156 /nfs/dbraw/zinc/73/21/56/563732156.db2.gz BULWLVZDWQRQGB-CYBMUJFWSA-N 0 1 378.226 2.557 20 0 GFADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2nc(Cl)cs2)CC1 ZINC000363751043 563732404 /nfs/dbraw/zinc/73/24/04/563732404.db2.gz LLTCZRZFNYLDBR-UHFFFAOYSA-N 0 1 378.885 2.827 20 0 GFADMN O=C(NC[C@@H]1CCCN(C(=O)c2sccc2OC(F)F)C1)C(F)(F)F ZINC000291156863 563733006 /nfs/dbraw/zinc/73/30/06/563733006.db2.gz QIOLMMYHDHNECD-QMMMGPOBSA-N 0 1 386.342 2.880 20 0 GFADMN CC(C)N1CCC[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000440087740 563736240 /nfs/dbraw/zinc/73/62/40/563736240.db2.gz KRALNNQPSPWDEY-CYBMUJFWSA-N 0 1 377.913 2.618 20 0 GFADMN COCC[C@@H]1COCCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000291314320 563738151 /nfs/dbraw/zinc/73/81/51/563738151.db2.gz 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GFADMN O=C(c1nc(Br)ccc1Br)N1CCN2CCC1CC2 ZINC000364852860 563766051 /nfs/dbraw/zinc/76/60/51/563766051.db2.gz QUSBBBNMSQDZGC-UHFFFAOYSA-N 0 1 389.091 2.527 20 0 GFADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000292050984 563771848 /nfs/dbraw/zinc/77/18/48/563771848.db2.gz NOUHWTLJCQSOTO-GFCCVEGCSA-N 0 1 377.432 2.595 20 0 GFADMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000292050988 563772067 /nfs/dbraw/zinc/77/20/67/563772067.db2.gz NOUHWTLJCQSOTO-LBPRGKRZSA-N 0 1 377.432 2.595 20 0 GFADMN CCn1cc(Br)cc1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365361473 563781015 /nfs/dbraw/zinc/78/10/15/563781015.db2.gz ZIJGWHMTVNVVBR-ZDUSSCGKSA-N 0 1 384.318 2.596 20 0 GFADMN Cc1cc(Cl)cc(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)c1Br ZINC000415568385 563785036 /nfs/dbraw/zinc/78/50/36/563785036.db2.gz QUAMEUHRNOFEQN-UWVGGRQHSA-N 0 1 388.693 2.558 20 0 GFADMN COC(=O)c1c(Br)ccc(NC(=O)N2CCNC(C)(C)C2)c1C ZINC000415601989 563786773 /nfs/dbraw/zinc/78/67/73/563786773.db2.gz 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563816410 /nfs/dbraw/zinc/81/64/10/563816410.db2.gz SCZFMHYJHDAATM-RNCFNFMXSA-N 0 1 386.461 2.682 20 0 GFADMN CCN(CC)CCN(Cc1cccs1)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000293512145 563816720 /nfs/dbraw/zinc/81/67/20/563816720.db2.gz XINVTJCUGQAXRU-MRXNPFEDSA-N 0 1 386.583 2.633 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)NCC(C)(C)N2CCCCC2)cc1Cl ZINC000416373105 563819277 /nfs/dbraw/zinc/81/92/77/563819277.db2.gz PJFWOKGTLXOZTI-UHFFFAOYSA-N 0 1 390.933 2.900 20 0 GFADMN CCc1[nH]nc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1Br ZINC000366762730 563819608 /nfs/dbraw/zinc/81/96/08/563819608.db2.gz RZOGYJCMIYJFIB-GDLVEWKHSA-N 0 1 386.290 2.533 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@H]1C ZINC000444326088 563828384 /nfs/dbraw/zinc/82/83/84/563828384.db2.gz ORIDBCUTOHDIAY-VXGBXAGGSA-N 0 1 392.297 2.845 20 0 GFADMN Cc1nc(CCNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)c(C)o1 ZINC000444327194 563828732 /nfs/dbraw/zinc/82/87/32/563828732.db2.gz JRIPXHVKQUZGBM-UHFFFAOYSA-N 0 1 390.237 2.868 20 0 GFADMN 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CC(C)CN1Cc2cccc(NC(=O)c3ccc(S(N)(=O)=O)s3)c2C1 ZINC000574710468 564685773 /nfs/dbraw/zinc/68/57/73/564685773.db2.gz ULDZKPIDWLDWMM-UHFFFAOYSA-N 0 1 379.507 2.619 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000487391564 564686257 /nfs/dbraw/zinc/68/62/57/564686257.db2.gz RCKZQZHBYIKJAC-UHFFFAOYSA-N 0 1 389.882 2.694 20 0 GFADMN CN(CC(=O)N1CCN(c2cccc(Br)c2)CC1)[C@@H]1CCSC1 ZINC000552786052 564700970 /nfs/dbraw/zinc/70/09/70/564700970.db2.gz LLNNHZPVGYWKDK-MRXNPFEDSA-N 0 1 398.370 2.535 20 0 GFADMN CO[C@H]1CN(Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1OC ZINC000487997574 564701463 /nfs/dbraw/zinc/70/14/63/564701463.db2.gz FZGVVMWNOYKPKG-HOTGVXAUSA-N 0 1 378.270 2.752 20 0 GFADMN Cn1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000525432208 564701466 /nfs/dbraw/zinc/70/14/66/564701466.db2.gz BMLNUGAPJAMBLM-UHFFFAOYSA-N 0 1 378.255 2.943 20 0 GFADMN C[C@@H](NCCNC(=O)c1ccc(Br)cc1)c1cc2n(n1)CCC2 ZINC000575691141 564702228 /nfs/dbraw/zinc/70/22/28/564702228.db2.gz 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GFADMN Cc1cc(CNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)ccc1Br ZINC000459188546 564735690 /nfs/dbraw/zinc/73/56/90/564735690.db2.gz VWHPVEUFJYGPEU-INIZCTEOSA-N 0 1 396.329 2.621 20 0 GFADMN O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1c(Cl)ccc(F)c1F ZINC000553816407 564737963 /nfs/dbraw/zinc/73/79/63/564737963.db2.gz QBHGRPJVRXCBNP-ZETCQYMHSA-N 0 1 378.750 2.533 20 0 GFADMN O=S(=O)(NC[C@H](CO)Cc1ccccc1)c1c(Cl)ccc(F)c1F ZINC000553830052 564738764 /nfs/dbraw/zinc/73/87/64/564738764.db2.gz JLANVAFOLORNHP-GFCCVEGCSA-N 0 1 375.824 2.748 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000489450807 564739502 /nfs/dbraw/zinc/73/95/02/564739502.db2.gz REUPZWDKESAVTH-MNOVXSKESA-N 0 1 384.889 2.623 20 0 GFADMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000553885458 564743305 /nfs/dbraw/zinc/74/33/05/564743305.db2.gz CDHRABOKNKXTNE-QMMMGPOBSA-N 0 1 389.237 2.696 20 0 GFADMN COC(=O)CC1(NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000459403475 564743338 /nfs/dbraw/zinc/74/33/38/564743338.db2.gz QRVPAKASAYYCJF-UHFFFAOYSA-N 0 1 376.787 2.955 20 0 GFADMN CC[C@H](C)[C@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000554098656 564750054 /nfs/dbraw/zinc/75/00/54/564750054.db2.gz OHFUYWCXQRACPZ-TVQRCGJNSA-N 0 1 392.257 2.701 20 0 GFADMN CC[C@H](C)[C@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000554098656 564750058 /nfs/dbraw/zinc/75/00/58/564750058.db2.gz OHFUYWCXQRACPZ-TVQRCGJNSA-N 0 1 392.257 2.701 20 0 GFADMN CC(C)Sc1cc(Br)ccc1CNCCS(=O)(=O)N(C)C ZINC000579799597 564752070 /nfs/dbraw/zinc/75/20/70/564752070.db2.gz ZLGQEUHWVNFMAM-UHFFFAOYSA-N 0 1 395.388 2.931 20 0 GFADMN O=S(=O)(CCNCc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000527718569 564757597 /nfs/dbraw/zinc/75/75/97/564757597.db2.gz DGBHCTCSSQYOOF-UHFFFAOYSA-N 0 1 390.328 2.568 20 0 GFADMN CCn1ncc(CNC2CCN(Cc3ccccc3Br)CC2)n1 ZINC000527736991 564758366 /nfs/dbraw/zinc/75/83/66/564758366.db2.gz ULBWIQPJCWDKQA-UHFFFAOYSA-N 0 1 378.318 2.815 20 0 GFADMN C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C[NH+](C)C ZINC000490038053 564761157 /nfs/dbraw/zinc/76/11/57/564761157.db2.gz UBCQYVVKYKNGRJ-MRVPVSSYSA-N 0 1 387.702 2.718 20 0 GFADMN CN(C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCCOC1 ZINC000554503413 564762084 /nfs/dbraw/zinc/76/20/84/564762084.db2.gz ATVWDIRQHIACGL-CYBMUJFWSA-N 0 1 394.273 2.555 20 0 GFADMN CN(C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCCOC1 ZINC000554503413 564762087 /nfs/dbraw/zinc/76/20/87/564762087.db2.gz ATVWDIRQHIACGL-CYBMUJFWSA-N 0 1 394.273 2.555 20 0 GFADMN C[C@H]1NCCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)[C@H]1C ZINC000580564069 564764763 /nfs/dbraw/zinc/76/47/63/564764763.db2.gz KSJBCDNKPFHGFL-ZJUUUORDSA-N 0 1 381.723 2.615 20 0 GFADMN Cc1ncccc1CN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527986710 564767128 /nfs/dbraw/zinc/76/71/28/564767128.db2.gz LMDMMUYRYIQRHD-SNVBAGLBSA-N 0 1 384.299 2.651 20 0 GFADMN O=S(=O)([N-][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(Br)cc1F ZINC000528050051 564768082 /nfs/dbraw/zinc/76/80/82/564768082.db2.gz AKIWLJLPUZJJLA-GFCCVEGCSA-N 0 1 397.697 2.805 20 0 GFADMN CCN1CCN(c2ccc(-c3noc([C@H]4C[C@]4(C)Br)n3)cn2)CC1 ZINC000528123456 564770992 /nfs/dbraw/zinc/77/09/92/564770992.db2.gz BFDUGPOWTBNMHV-DYVFJYSZSA-N 0 1 392.301 2.914 20 0 GFADMN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ncccc2O)ccc1Cl ZINC000460513019 564776865 /nfs/dbraw/zinc/77/68/65/564776865.db2.gz ZGLPNQVDWBWTQV-UHFFFAOYSA-N 0 1 383.857 2.723 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000528390574 564782405 /nfs/dbraw/zinc/78/24/05/564782405.db2.gz NKSAPJPFKJPFFP-MAUKXSAKSA-N 0 1 397.357 2.794 20 0 GFADMN O=c1[nH]c2cccc(NS(=O)(=O)c3ccc(F)cc3Br)c2[nH]1 ZINC000580984132 564782423 /nfs/dbraw/zinc/78/24/23/564782423.db2.gz HOTKCPNGFARUHE-UHFFFAOYSA-N 0 1 386.202 2.971 20 0 GFADMN COC(=O)Cc1cc(Br)ccc1S(=O)(=O)Nc1cccnc1C ZINC000555139667 564784464 /nfs/dbraw/zinc/78/44/64/564784464.db2.gz IBZUMDMLWPZAMV-UHFFFAOYSA-N 0 1 399.266 2.669 20 0 GFADMN COCCN1CCC[C@H](NC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000528447437 564785112 /nfs/dbraw/zinc/78/51/12/564785112.db2.gz TUGNVLPWNZPTCX-JTQLQIEISA-N 0 1 377.229 2.568 20 0 GFADMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000491311118 564790247 /nfs/dbraw/zinc/79/02/47/564790247.db2.gz VCOZOMQCLROCPK-OAHLLOKOSA-N 0 1 390.933 2.518 20 0 GFADMN O=C([C@@H]1C[C@H]1c1csc(Br)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000528662888 564799964 /nfs/dbraw/zinc/79/99/64/564799964.db2.gz NWNQERQSRSRBHL-AEGPPILISA-N 0 1 399.354 2.795 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)Cc3cscc3Br)cc21 ZINC000492265246 564800825 /nfs/dbraw/zinc/80/08/25/564800825.db2.gz CXXBVWJKZCIQAS-UHFFFAOYSA-N 0 1 379.239 2.667 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000581650977 564812158 /nfs/dbraw/zinc/81/21/58/564812158.db2.gz KXSMJYHFCVQBFE-UHFFFAOYSA-N 0 1 380.191 2.941 20 0 GFADMN O[C@@H]1C[C@@H]([C@@H]2CCCOC2)N(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000556180207 564813899 /nfs/dbraw/zinc/81/38/99/564813899.db2.gz PFTJFNNVWBRPDW-FMKPAKJESA-N 0 1 398.297 2.582 20 0 GFADMN O=C(Nc1ccc2n[nH]nc2c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000581760553 564818002 /nfs/dbraw/zinc/81/80/02/564818002.db2.gz CSEXGHAFGINVAV-UHFFFAOYSA-N 0 1 384.193 2.814 20 0 GFADMN C[C@H](CN[C@@H](C)c1ccc(F)c(I)c1)S(C)(=O)=O ZINC000556424281 564825171 /nfs/dbraw/zinc/82/51/71/564825171.db2.gz WOVACZYRSJLFCY-BDAKNGLRSA-N 0 1 385.242 2.514 20 0 GFADMN Cc1nc(C)c(S(=O)(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)s1 ZINC000494347291 564825935 /nfs/dbraw/zinc/82/59/35/564825935.db2.gz JCHGSFKKMUIFRO-LLVKDONJSA-N 0 1 382.433 2.692 20 0 GFADMN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000582085843 564830565 /nfs/dbraw/zinc/83/05/65/564830565.db2.gz YAMVMTPZMCHJHB-UHFFFAOYSA-N 0 1 382.507 2.544 20 0 GFADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)c(F)c2)n[nH]1 ZINC000556595927 564831009 /nfs/dbraw/zinc/83/10/09/564831009.db2.gz HJLPPCFCKKOYLQ-MRVPVSSYSA-N 0 1 391.266 2.869 20 0 GFADMN COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000582165959 564832891 /nfs/dbraw/zinc/83/28/91/564832891.db2.gz FQIXCKQTAFULAQ-GHMZBOCLSA-N 0 1 394.269 2.921 20 0 GFADMN Cc1noc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2F)C2CCOCC2)n1 ZINC000556671669 564834941 /nfs/dbraw/zinc/83/49/41/564834941.db2.gz XFNHNBUZOLSISK-AWEZNQCLSA-N 0 1 389.836 2.617 20 0 GFADMN [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000582300855 564839861 /nfs/dbraw/zinc/83/98/61/564839861.db2.gz GQDFCLNTTQARBJ-SFYZADRCSA-N 0 1 387.752 2.960 20 0 GFADMN Cc1n[nH]c([C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)n1 ZINC000556815461 564842293 /nfs/dbraw/zinc/84/22/93/564842293.db2.gz BGGAZALZAFZUDK-VIFPVBQESA-N 0 1 395.286 2.977 20 0 GFADMN Cc1nnc([C@H]2CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)[nH]1 ZINC000556815461 564842295 /nfs/dbraw/zinc/84/22/95/564842295.db2.gz BGGAZALZAFZUDK-VIFPVBQESA-N 0 1 395.286 2.977 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000582676484 564857344 /nfs/dbraw/zinc/85/73/44/564857344.db2.gz YJEXVXUVLUOTBW-QMTHXVAHSA-N 0 1 381.263 2.817 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000495990454 564857761 /nfs/dbraw/zinc/85/77/61/564857761.db2.gz NSLSKIDGWAZEMF-CZUORRHYSA-N 0 1 394.313 2.503 20 0 GFADMN O=S(=O)(NC[C@H]1CCCN(CCOc2ccc(Cl)c(F)c2)C1)C1CC1 ZINC000582718190 564858826 /nfs/dbraw/zinc/85/88/26/564858826.db2.gz CQEHXEXKXNHCTR-CYBMUJFWSA-N 0 1 390.908 2.652 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCN(c2ccccc2)C(=O)C1 ZINC000463077572 564868798 /nfs/dbraw/zinc/86/87/98/564868798.db2.gz MJNSMEJUDOPLJN-UHFFFAOYSA-N 0 1 399.248 2.814 20 0 GFADMN C[C@@H]1COCC[C@@H]1CNC(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000557652873 564871517 /nfs/dbraw/zinc/87/15/17/564871517.db2.gz SVGXFTJYUQTALR-GHMZBOCLSA-N 0 1 379.254 2.693 20 0 GFADMN CC[C@H](C(=O)NCCn1cc(Br)cn1)N(C)Cc1ccccc1 ZINC000557686520 564872354 /nfs/dbraw/zinc/87/23/54/564872354.db2.gz OTEUKYNDKPJXHV-MRXNPFEDSA-N 0 1 379.302 2.672 20 0 GFADMN O=C([C@H]1CCc2cc(Br)ccc21)N1CC[C@H](CN2CCOCC2)C1 ZINC000583085524 564875351 /nfs/dbraw/zinc/87/53/51/564875351.db2.gz GRSCOBJVHQLGCI-KDOFPFPSSA-N 0 1 393.325 2.660 20 0 GFADMN O=S(=O)(Cc1ccccc1Br)N1CC[C@H](N2CCCCC2)C1 ZINC000557812181 564877722 /nfs/dbraw/zinc/87/77/22/564877722.db2.gz PZHIMNIKOIWONF-HNNXBMFYSA-N 0 1 387.343 2.839 20 0 GFADMN C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1ccccc1Br ZINC000557832720 564879854 /nfs/dbraw/zinc/87/98/54/564879854.db2.gz CEGJHJUNLPLZGD-CYBMUJFWSA-N 0 1 375.332 2.743 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)c2cc(Br)cn2C(C)C)C1 ZINC000463446039 564881411 /nfs/dbraw/zinc/88/14/11/564881411.db2.gz FZWUNBSORQJHFC-OAHLLOKOSA-N 0 1 386.334 2.918 20 0 GFADMN CC[C@H]1CN(C)CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000557920400 564885281 /nfs/dbraw/zinc/88/52/81/564885281.db2.gz VGTSTLJDANKROI-DLBZAZTESA-N 0 1 396.329 2.569 20 0 GFADMN CSCCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463663113 564886328 /nfs/dbraw/zinc/88/63/28/564886328.db2.gz GUHUTYXMSDKFKV-UHFFFAOYSA-N 0 1 375.235 2.650 20 0 GFADMN CSC[C@@H](C)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000463679231 564886961 /nfs/dbraw/zinc/88/69/61/564886961.db2.gz SOAMYDDEIBKDOJ-SSDOTTSWSA-N 0 1 375.235 2.649 20 0 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ZINC000634977004 566186988 /nfs/dbraw/zinc/18/69/88/566186988.db2.gz NOMKRSVEXZBUFP-UHFFFAOYSA-N 0 1 396.329 2.764 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000656947848 566190779 /nfs/dbraw/zinc/19/07/79/566190779.db2.gz KZMJNFLHSVSUFL-CMPLNLGQSA-N 0 1 380.436 2.780 20 0 GFADMN O=C(NC[C@@H](CO)Cc1ccccc1Br)c1[nH]nc2c1CCCC2 ZINC000683256543 566191348 /nfs/dbraw/zinc/19/13/48/566191348.db2.gz PCUBXWIWLNDIDL-LBPRGKRZSA-N 0 1 392.297 2.632 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656963187 566195275 /nfs/dbraw/zinc/19/52/75/566195275.db2.gz LGWWWQSXVWSHNF-AWEZNQCLSA-N 0 1 393.322 2.880 20 0 GFADMN O=C(N[C@H](CCO)c1ccccc1Br)[C@H]1CCc2[nH]cnc2C1 ZINC000613390905 566196769 /nfs/dbraw/zinc/19/67/69/566196769.db2.gz ZJZBWECERFXRDS-SMDDNHRTSA-N 0 1 378.270 2.517 20 0 GFADMN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635419651 566211986 /nfs/dbraw/zinc/21/19/86/566211986.db2.gz YNAVBJCSHFKGSS-APHBMKBZSA-N 0 1 389.297 2.918 20 0 GFADMN Cc1nc(CS(=O)(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cs1 ZINC000657132742 566228504 /nfs/dbraw/zinc/22/85/04/566228504.db2.gz BAFVJLMFKDTARK-SFHVURJKSA-N 0 1 379.551 2.530 20 0 GFADMN CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000684529237 566237585 /nfs/dbraw/zinc/23/75/85/566237585.db2.gz CKFZXZHJDSLOBY-HNNXBMFYSA-N 0 1 391.269 2.609 20 0 GFADMN COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186661837 570310818 /nfs/dbraw/zinc/31/08/18/570310818.db2.gz XDFXSZUCKWCJET-FUHWJXTLSA-N 0 1 376.497 2.661 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC[C@H]2CCCC[C@H]2C)cc1-c1nn[nH]n1 ZINC000737187373 598922587 /nfs/dbraw/zinc/92/25/87/598922587.db2.gz RDUWHTFVGGKJSU-GHMZBOCLSA-N 0 1 376.486 2.635 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736225753 598959571 /nfs/dbraw/zinc/95/95/71/598959571.db2.gz CZVHDDBXVYIQKD-HUUCEWRRSA-N 0 1 380.500 2.980 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736225753 598959573 /nfs/dbraw/zinc/95/95/73/598959573.db2.gz CZVHDDBXVYIQKD-HUUCEWRRSA-N 0 1 380.500 2.980 20 0 GFADMN Cc1c(NS(=O)(=O)c2ccccc2OC(F)(F)F)cccc1-c1nn[nH]n1 ZINC000822130543 607255413 /nfs/dbraw/zinc/25/54/13/607255413.db2.gz VCMJCYCQFXJFCI-UHFFFAOYSA-N 0 1 399.354 2.875 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738432752 598969863 /nfs/dbraw/zinc/96/98/63/598969863.db2.gz LADHTVHCLSOTRQ-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738432752 598969865 /nfs/dbraw/zinc/96/98/65/598969865.db2.gz LADHTVHCLSOTRQ-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738432752 598969867 /nfs/dbraw/zinc/96/98/67/598969867.db2.gz LADHTVHCLSOTRQ-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738432752 598969869 /nfs/dbraw/zinc/96/98/69/598969869.db2.gz LADHTVHCLSOTRQ-INIZCTEOSA-N 0 1 386.463 2.886 20 0 GFADMN C[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736288084 598989770 /nfs/dbraw/zinc/98/97/70/598989770.db2.gz QOGXKIWWVCMBSC-WBMJQRKESA-N 0 1 390.463 2.741 20 0 GFADMN C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736289076 599041145 /nfs/dbraw/zinc/04/11/45/599041145.db2.gz CKKBZSPRTIXZAP-QWRGUYRKSA-N 0 1 399.421 2.580 20 0 GFADMN O=C(CN(Cc1ccc(F)cc1)CC1CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737862742 599081015 /nfs/dbraw/zinc/08/10/15/599081015.db2.gz APLMXSPGMSYDTB-UHFFFAOYSA-N 0 1 394.454 2.534 20 0 GFADMN C[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736118678 599105729 /nfs/dbraw/zinc/10/57/29/599105729.db2.gz OACFSNZHPDJZTP-CYBMUJFWSA-N 0 1 397.458 2.628 20 0 GFADMN C[C@@H](c1nn(CN2CC[C@H](C(=O)[O-])C2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000818075638 596899389 /nfs/dbraw/zinc/89/93/89/596899389.db2.gz FMNLSVOZHKJICE-STQMWFEESA-N 0 1 393.488 2.529 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712843 597072866 /nfs/dbraw/zinc/07/28/66/597072866.db2.gz XPYPARJBADUWPI-KBPBESRZSA-N 0 1 375.494 2.830 20 0 GFADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676233426 597083293 /nfs/dbraw/zinc/08/32/93/597083293.db2.gz PLZNPYNOGMIJBL-JKSUJKDBSA-N 0 1 389.496 2.682 20 0 GFADMN Cc1csc(N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)n1 ZINC000737453285 598365211 /nfs/dbraw/zinc/36/52/11/598365211.db2.gz UIGIDTLVAMPETP-HNNXBMFYSA-N 0 1 399.524 2.611 20 0 GFADMN Clc1cccc(N2CCN(CCCNc3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000737573203 598426270 /nfs/dbraw/zinc/42/62/70/598426270.db2.gz BATSENQXFGXBER-UHFFFAOYSA-N 0 1 398.902 2.539 20 0 GFADMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000736748795 598428890 /nfs/dbraw/zinc/42/88/90/598428890.db2.gz KSPRXHRTWKPYKX-UHFFFAOYSA-N 0 1 390.463 2.837 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2ccccc2Br)c2ccccc12 ZINC000738371879 598503379 /nfs/dbraw/zinc/50/33/79/598503379.db2.gz LFBZWTIPTQEUJD-UHFFFAOYSA-N 0 1 382.221 2.992 20 0 GFADMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)c1 ZINC000737326981 598548465 /nfs/dbraw/zinc/54/84/65/598548465.db2.gz VZFGFBQUJAEROF-UHFFFAOYSA-N 0 1 395.391 2.886 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735636586 598681173 /nfs/dbraw/zinc/68/11/73/598681173.db2.gz ZRIUNWXLEDMCIZ-OAHLLOKOSA-N 0 1 390.463 2.885 20 0 GFADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000735550869 598703081 /nfs/dbraw/zinc/70/30/81/598703081.db2.gz MKSOWPPEVDYKFW-NEPJUHHUSA-N 0 1 386.843 2.930 20 0 GFADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000819844416 599390432 /nfs/dbraw/zinc/39/04/32/599390432.db2.gz HLHAFCBJVWWBKX-QWHCGFSZSA-N 0 1 378.436 2.747 20 0 GFADMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1ccc(Oc2cnccn2)cc1 ZINC000822761323 599394197 /nfs/dbraw/zinc/39/41/97/599394197.db2.gz IMRHCZMQTJVRQW-UHFFFAOYSA-N 0 1 377.383 2.878 20 0 GFADMN Cc1cccc(N2CC[NH+](CCCCNc3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737400541 599406957 /nfs/dbraw/zinc/40/69/57/599406957.db2.gz SPXFEPOFQBZARW-UHFFFAOYSA-N 0 1 392.511 2.584 20 0 GFADMN CCOc1ccc(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)o3)CCOCC2)cc1 ZINC000821417334 599414226 /nfs/dbraw/zinc/41/42/26/599414226.db2.gz LLJPBNQPOJMLCC-UHFFFAOYSA-N 0 1 383.452 2.696 20 0 GFADMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736234768 599477509 /nfs/dbraw/zinc/47/75/09/599477509.db2.gz KIWNBGKPQYLDQG-XJKSGUPXSA-N 0 1 380.427 2.822 20 0 GFADMN Cc1cccc(C)c1C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737386786 599582657 /nfs/dbraw/zinc/58/26/57/599582657.db2.gz CHOGAKPNPSMROO-UHFFFAOYSA-N 0 1 379.468 2.671 20 0 GFADMN CN(C[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821596482 599591690 /nfs/dbraw/zinc/59/16/90/599591690.db2.gz LGEBASIRNODITE-OAHLLOKOSA-N 0 1 390.463 2.837 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)c2ccc(C)cc2)cc1-c1nn[nH]n1 ZINC000737186055 599604273 /nfs/dbraw/zinc/60/42/73/599604273.db2.gz FKGOGZAHRHPPIV-LLVKDONJSA-N 0 1 384.465 2.531 20 0 GFADMN CC[C@](C)(NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1nccs1 ZINC000820854320 599639332 /nfs/dbraw/zinc/63/93/32/599639332.db2.gz UFMSBVGNSTYPIP-HNNXBMFYSA-N 0 1 377.499 2.628 20 0 GFADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182184 599673548 /nfs/dbraw/zinc/67/35/48/599673548.db2.gz SGNSPWUEGGLTEX-WMLDXEAASA-N 0 1 397.483 2.903 20 0 GFADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000820683924 599697059 /nfs/dbraw/zinc/69/70/59/599697059.db2.gz JNNDKVJYRJSLEA-ZIAGYGMSSA-N 0 1 393.451 2.865 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)CC2)cs1 ZINC000738853958 599706721 /nfs/dbraw/zinc/70/67/21/599706721.db2.gz AUKNKHKDMNTAKK-UHFFFAOYSA-N 0 1 391.493 2.922 20 0 GFADMN CC(C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000650504583 599754746 /nfs/dbraw/zinc/75/47/46/599754746.db2.gz SYMBTVLSOUOONO-KKSFZXQISA-N 0 1 390.480 2.600 20 0 GFADMN CC1(C)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000659755873 599776690 /nfs/dbraw/zinc/77/66/90/599776690.db2.gz JDYPHUOFGBJBCZ-UHFFFAOYSA-N 0 1 382.460 2.887 20 0 GFADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000739473443 599786714 /nfs/dbraw/zinc/78/67/14/599786714.db2.gz YTMUHDGEBKUZFQ-IAGOWNOFSA-N 0 1 375.375 2.987 20 0 GFADMN C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000737520557 599821220 /nfs/dbraw/zinc/82/12/20/599821220.db2.gz KZFJIFADMNQEGO-NSHDSACASA-N 0 1 375.347 2.542 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)COc1ccccc1Cl ZINC000569818851 599878469 /nfs/dbraw/zinc/87/84/69/599878469.db2.gz YEZWSQYTFCYFAC-ZDUSSCGKSA-N 0 1 385.794 2.945 20 0 GFADMN CCOc1cc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737187606 599932210 /nfs/dbraw/zinc/93/22/10/599932210.db2.gz ZFDCYQSOVJEQTM-OWCLPIDISA-N 0 1 392.496 2.645 20 0 GFADMN 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CC[N@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)C[C@H](O)c1ccc(C)cc1 ZINC000829624516 601038131 /nfs/dbraw/zinc/03/81/31/601038131.db2.gz WCFAZRXSMGCVMK-IBGZPJMESA-N 0 1 385.464 2.757 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1OC ZINC000831897478 601076595 /nfs/dbraw/zinc/07/65/95/601076595.db2.gz SEECASHQKQXHGH-KRWDZBQOSA-N 0 1 399.447 2.923 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1OC ZINC000831897478 601076599 /nfs/dbraw/zinc/07/65/99/601076599.db2.gz SEECASHQKQXHGH-KRWDZBQOSA-N 0 1 399.447 2.923 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NCCCCn2cc[nH+]c2C)c1OC ZINC000831902889 601079392 /nfs/dbraw/zinc/07/93/92/601079392.db2.gz FNDAKDLQNBGNET-UHFFFAOYSA-N 0 1 376.413 2.509 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1CNCCOc1ncc(Cl)cc1Cl ZINC000822744409 607487722 /nfs/dbraw/zinc/48/77/22/607487722.db2.gz SDVFVYYQYWCJTO-UHFFFAOYSA-N 0 1 383.214 2.876 20 0 GFADMN Cc1ccc(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C(=O)[O-] ZINC000832946225 601138825 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GFADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829161090 601360222 /nfs/dbraw/zinc/36/02/22/601360222.db2.gz MWGJSUBPWJAHCA-CVEARBPZSA-N 0 1 375.469 2.552 20 0 GFADMN C[C@H](c1nn(CN(CC(=O)[O-])C2CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000737721773 601376376 /nfs/dbraw/zinc/37/63/76/601376376.db2.gz RBQPSJIDHJSEKM-GFCCVEGCSA-N 0 1 393.488 2.671 20 0 GFADMN CC[N@@H+](CCC(=O)[O-])CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000829701925 601414221 /nfs/dbraw/zinc/41/42/21/601414221.db2.gz TVIMFDWZLMTULQ-FQEVSTJZSA-N 0 1 394.899 2.933 20 0 GFADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000831583820 601488802 /nfs/dbraw/zinc/48/88/02/601488802.db2.gz AAFJQUGGIJNWEH-IBGZPJMESA-N 0 1 386.408 2.669 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1C(=O)[O-] ZINC000422595017 601525192 /nfs/dbraw/zinc/52/51/92/601525192.db2.gz XXLHJTHNLGCDRM-DNVCBOLYSA-N 0 1 379.460 2.972 20 0 GFADMN Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861953 601525644 /nfs/dbraw/zinc/52/56/44/601525644.db2.gz PPNPJQAPFUDBOU-UHFFFAOYSA-N 0 1 382.460 2.725 20 0 GFADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000565838927 601544253 /nfs/dbraw/zinc/54/42/53/601544253.db2.gz UFFQJCIQYOJLEG-PKOBYXMFSA-N 0 1 375.852 2.902 20 0 GFADMN CS(=O)(=O)c1ccc(OCCC[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000574213669 601546123 /nfs/dbraw/zinc/54/61/23/601546123.db2.gz ZAJMMJAQDGXSNU-IBGZPJMESA-N 0 1 389.473 2.543 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000831918126 601549732 /nfs/dbraw/zinc/54/97/32/601549732.db2.gz LULMGAQVZFKDJA-WMZOPIPTSA-N 0 1 389.423 2.762 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843546 601600691 /nfs/dbraw/zinc/60/06/91/601600691.db2.gz XJGPSLLWIWTING-ZIAGYGMSSA-N 0 1 385.468 2.707 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843546 601600693 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QHSWUKNBIVBATQ-QFIPXVFZSA-N 0 1 382.460 2.935 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000826183326 607524722 /nfs/dbraw/zinc/52/47/22/607524722.db2.gz MFEHUNNYRUZFJS-CQSZACIVSA-N 0 1 383.456 2.761 20 0 GFADMN Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCC(=O)[O-])CC3)C2=O)cc1Cl ZINC000832934201 601788497 /nfs/dbraw/zinc/78/84/97/601788497.db2.gz CCAQPLTXPDYDNN-INIZCTEOSA-N 0 1 378.856 2.857 20 0 GFADMN CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829160043 601842431 /nfs/dbraw/zinc/84/24/31/601842431.db2.gz CAUHWASOSUDROK-CHWSQXEVSA-N 0 1 386.901 2.676 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829160043 601842433 /nfs/dbraw/zinc/84/24/33/601842433.db2.gz CAUHWASOSUDROK-CHWSQXEVSA-N 0 1 386.901 2.676 20 0 GFADMN C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738956419 601869083 /nfs/dbraw/zinc/86/90/83/601869083.db2.gz AHDXACLLVJLVMQ-SZMVWBNQSA-N 0 1 391.487 2.932 20 0 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384.432 2.770 20 0 GFADMN CC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@H+](CCC(=O)[O-])C[C@H]3C)o2)cc1 ZINC000833400735 605163641 /nfs/dbraw/zinc/16/36/41/605163641.db2.gz MFWLSERQFTTYDL-CQSZACIVSA-N 0 1 384.432 2.770 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833624758 605176099 /nfs/dbraw/zinc/17/60/99/605176099.db2.gz WBLATUVIBMIIAO-DLBZAZTESA-N 0 1 382.460 2.885 20 0 GFADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000833628237 605197021 /nfs/dbraw/zinc/19/70/21/605197021.db2.gz DUNQPEBMYWNSNZ-YYUOZPCZSA-N 0 1 393.336 2.582 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000833628237 605197022 /nfs/dbraw/zinc/19/70/22/605197022.db2.gz DUNQPEBMYWNSNZ-YYUOZPCZSA-N 0 1 393.336 2.582 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833597140 605217910 /nfs/dbraw/zinc/21/79/10/605217910.db2.gz QEMPQOSHCYDOHZ-LSDHHAIUSA-N 0 1 378.469 2.999 20 0 GFADMN C[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC[N@H+]1CCC(=O)[O-] ZINC000833618994 605251262 /nfs/dbraw/zinc/25/12/62/605251262.db2.gz AEFAMEIOLLQFCB-JTQLQIEISA-N 0 1 389.677 2.724 20 0 GFADMN CC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@H+](CCC(=O)[O-])[C@@H](C)C3)o2)cc1 ZINC000833400761 605255802 /nfs/dbraw/zinc/25/58/02/605255802.db2.gz MWCMOCNHYWENHZ-AWEZNQCLSA-N 0 1 384.432 2.770 20 0 GFADMN CC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@@H+](CCC(=O)[O-])[C@@H](C)C3)o2)cc1 ZINC000833400761 605255805 /nfs/dbraw/zinc/25/58/05/605255805.db2.gz MWCMOCNHYWENHZ-AWEZNQCLSA-N 0 1 384.432 2.770 20 0 GFADMN C[C@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833619936 605256712 /nfs/dbraw/zinc/25/67/12/605256712.db2.gz DZRIRMGWLORNIF-ZDUSSCGKSA-N 0 1 391.855 2.545 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833620401 605256753 /nfs/dbraw/zinc/25/67/53/605256753.db2.gz XGGYMKFLCXZNOB-KCXAZCMYSA-N 0 1 395.297 2.560 20 0 GFADMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833618229 605275095 /nfs/dbraw/zinc/27/50/95/605275095.db2.gz MHAJYCVJNBYZNR-CYBMUJFWSA-N 0 1 397.313 2.734 20 0 GFADMN O=C([O-])N(CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000831447074 605297159 /nfs/dbraw/zinc/29/71/59/605297159.db2.gz YXDKRWPHVXERFG-IBGZPJMESA-N 0 1 381.476 2.852 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833596878 605300113 /nfs/dbraw/zinc/30/01/13/605300113.db2.gz OZWVLCYPQAWVKK-GDBMZVCRSA-N 0 1 378.469 2.885 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000825800215 605353128 /nfs/dbraw/zinc/35/31/28/605353128.db2.gz BUTQQDSDUJBIPT-KYJSFNMBSA-N 0 1 377.460 2.685 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@H]1NC(=O)[O-] ZINC000833849471 605355659 /nfs/dbraw/zinc/35/56/59/605355659.db2.gz RMKNSKQNILPTMC-ZHALLVOQSA-N 0 1 391.487 2.932 20 0 GFADMN O=C([O-])N1CCC(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000834030026 605372460 /nfs/dbraw/zinc/37/24/60/605372460.db2.gz FYHNULRFMALHJO-KRWDZBQOSA-N 0 1 388.512 2.999 20 0 GFADMN Cn1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1Cl ZINC000833957912 605439753 /nfs/dbraw/zinc/43/97/53/605439753.db2.gz VFUZCLDDGAWKOA-IQJOONFLSA-N 0 1 380.798 2.960 20 0 GFADMN Cn1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1Cl ZINC000833957912 605439756 /nfs/dbraw/zinc/43/97/56/605439756.db2.gz VFUZCLDDGAWKOA-IQJOONFLSA-N 0 1 380.798 2.960 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)C[C@@H]21 ZINC000834178364 605446778 /nfs/dbraw/zinc/44/67/78/605446778.db2.gz FKNUQPRVLMEIII-WCFLWFBJSA-N 0 1 388.493 2.754 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)C[C@@H]21 ZINC000834178364 605446785 /nfs/dbraw/zinc/44/67/85/605446785.db2.gz FKNUQPRVLMEIII-WCFLWFBJSA-N 0 1 388.493 2.754 20 0 GFADMN CC[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000826587413 605505598 /nfs/dbraw/zinc/50/55/98/605505598.db2.gz UNWODKYDTUPYIP-AYOQOUSVSA-N 0 1 388.512 2.653 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566666106 605515751 /nfs/dbraw/zinc/51/57/51/605515751.db2.gz VTRJIDUFMWKPNJ-QKLQHJQFSA-N 0 1 395.450 2.995 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566666106 605515757 /nfs/dbraw/zinc/51/57/57/605515757.db2.gz VTRJIDUFMWKPNJ-QKLQHJQFSA-N 0 1 395.450 2.995 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000831298247 605538357 /nfs/dbraw/zinc/53/83/57/605538357.db2.gz FRGPOZOGKCUDCS-SRHIMBRBSA-N 0 1 375.513 2.773 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000834225561 605573010 /nfs/dbraw/zinc/57/30/10/605573010.db2.gz KPVCBYGGTDMONG-GFCCVEGCSA-N 0 1 379.258 2.724 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000834026256 605685929 /nfs/dbraw/zinc/68/59/29/605685929.db2.gz LYCJRSPLJMKRAN-QAPCUYQASA-N 0 1 384.480 2.639 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000834026115 605686353 /nfs/dbraw/zinc/68/63/53/605686353.db2.gz HWOCTJKRCAFMJT-LYMSEEBCSA-N 0 1 389.471 2.810 20 0 GFADMN COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000833708825 605692524 /nfs/dbraw/zinc/69/25/24/605692524.db2.gz PTJDDCFJAFZSKO-CRAIPNDOSA-N 0 1 384.432 2.507 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)NCc1ccccc1Cl ZINC000834161549 605769832 /nfs/dbraw/zinc/76/98/32/605769832.db2.gz ATJOYQUTWGWHDR-MQVJKMGUSA-N 0 1 379.888 2.999 20 0 GFADMN C[C@@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000833520755 605859862 /nfs/dbraw/zinc/85/98/62/605859862.db2.gz HKHDTTIGNRUVLF-WBVHZDCISA-N 0 1 389.496 2.602 20 0 GFADMN C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833547866 605869975 /nfs/dbraw/zinc/86/99/75/605869975.db2.gz FKJUTPXPOCHYJP-YWZLYKJASA-N 0 1 379.460 2.973 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833828837 605886852 /nfs/dbraw/zinc/88/68/52/605886852.db2.gz FUPOXVWAOCKSFJ-UTUOFQBUSA-N 0 1 384.274 2.754 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833615804 605889159 /nfs/dbraw/zinc/88/91/59/605889159.db2.gz RRXJUWVOXQIPNS-ZDUSSCGKSA-N 0 1 395.887 2.748 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830893 605899281 /nfs/dbraw/zinc/89/92/81/605899281.db2.gz LFOBGTHNFSNYQH-OUAUKWLOSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833830893 605899284 /nfs/dbraw/zinc/89/92/84/605899284.db2.gz LFOBGTHNFSNYQH-OUAUKWLOSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000833831969 605911545 /nfs/dbraw/zinc/91/15/45/605911545.db2.gz QZPQXBKMKFQQON-TYNCELHUSA-N 0 1 385.386 2.789 20 0 GFADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC000833488153 605939841 /nfs/dbraw/zinc/93/98/41/605939841.db2.gz JBLCUVCQRWKLNI-HNNXBMFYSA-N 0 1 389.496 2.541 20 0 GFADMN CC(C)c1nsc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000820211405 606061002 /nfs/dbraw/zinc/06/10/02/606061002.db2.gz LTWYXJBCICCXDK-UHFFFAOYSA-N 0 1 384.513 2.554 20 0 GFADMN CCSCC[C@H](C)N(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000821455258 606115969 /nfs/dbraw/zinc/11/59/69/606115969.db2.gz IYEPDGBODLZMNN-JTQLQIEISA-N 0 1 382.559 2.947 20 0 GFADMN CC(C)C[C@H]1CCCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820061498 606188711 /nfs/dbraw/zinc/18/87/11/606188711.db2.gz DLIMIVVCPNRWTJ-QGZVFWFLSA-N 0 1 391.541 2.931 20 0 GFADMN C[C@H](NCc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820427467 606215215 /nfs/dbraw/zinc/21/52/15/606215215.db2.gz REUCCJRRKKUHQI-ZDUSSCGKSA-N 0 1 397.508 2.645 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000821649719 606322317 /nfs/dbraw/zinc/32/23/17/606322317.db2.gz BUAQMICPOUJAHE-ZMYBRWDISA-N 0 1 377.448 2.959 20 0 GFADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000821649973 606336230 /nfs/dbraw/zinc/33/62/30/606336230.db2.gz HLRLFRWOIVTIEU-JVPBZIDWSA-N 0 1 377.448 2.959 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000822541271 606406178 /nfs/dbraw/zinc/40/61/78/606406178.db2.gz MROHZBYDUJDVLF-UHFFFAOYSA-N 0 1 397.483 2.555 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000822541271 606406181 /nfs/dbraw/zinc/40/61/81/606406181.db2.gz MROHZBYDUJDVLF-UHFFFAOYSA-N 0 1 397.483 2.555 20 0 GFADMN Cn1c2ccccc2nc1[C@H]1CCCN1CCOc1ccccc1-c1nn[nH]n1 ZINC000822596487 606521968 /nfs/dbraw/zinc/52/19/68/606521968.db2.gz LVQKKQWNWZHHBV-GOSISDBHSA-N 0 1 389.463 2.969 20 0 GFADMN C[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N1CCCCCC1 ZINC000819882551 606560011 /nfs/dbraw/zinc/56/00/11/606560011.db2.gz BJGPFGWLNLYAPX-LBPRGKRZSA-N 0 1 395.410 2.776 20 0 GFADMN O=C(NC1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccc(O)c(Cl)c1 ZINC000823154546 606593801 /nfs/dbraw/zinc/59/38/01/606593801.db2.gz FXZITYBNQRMMHL-UHFFFAOYSA-N 0 1 398.854 2.625 20 0 GFADMN O=C(Nc1nc(-c2ccccc2)ns1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823376101 606673003 /nfs/dbraw/zinc/67/30/03/606673003.db2.gz WYMHCFYUELHKGC-UHFFFAOYSA-N 0 1 385.359 2.916 20 0 GFADMN C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414349 606711756 /nfs/dbraw/zinc/71/17/56/606711756.db2.gz XXZADDQTQFMXDE-BDJLRTHQSA-N 0 1 384.390 2.601 20 0 GFADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(N(C)C)ccc1-c1nn[nH]n1 ZINC000822239749 606751077 /nfs/dbraw/zinc/75/10/77/606751077.db2.gz CHOFMBXFTUNRMU-UHFFFAOYSA-N 0 1 392.872 2.695 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804784 606783347 /nfs/dbraw/zinc/78/33/47/606783347.db2.gz ZNYSZABRAIXDME-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1csc2ccccc12 ZINC000820804784 606783349 /nfs/dbraw/zinc/78/33/49/606783349.db2.gz ZNYSZABRAIXDME-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804784 606783351 /nfs/dbraw/zinc/78/33/51/606783351.db2.gz ZNYSZABRAIXDME-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1csc2ccccc12 ZINC000820804784 606783354 /nfs/dbraw/zinc/78/33/54/606783354.db2.gz ZNYSZABRAIXDME-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820664501 606876522 /nfs/dbraw/zinc/87/65/22/606876522.db2.gz AWVFKLDHJFCHJI-GDBMZVCRSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820664501 606876523 /nfs/dbraw/zinc/87/65/23/606876523.db2.gz AWVFKLDHJFCHJI-GDBMZVCRSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664501 606876524 /nfs/dbraw/zinc/87/65/24/606876524.db2.gz AWVFKLDHJFCHJI-GDBMZVCRSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820664501 606876525 /nfs/dbraw/zinc/87/65/25/606876525.db2.gz AWVFKLDHJFCHJI-GDBMZVCRSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804306 606897087 /nfs/dbraw/zinc/89/70/87/606897087.db2.gz QAOZFHXRINFBPQ-ITKAJJHTSA-N 0 1 379.464 2.751 20 0 GFADMN Cc1ccccc1[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CO1 ZINC000822351755 606903895 /nfs/dbraw/zinc/90/38/95/606903895.db2.gz PWMNTOFYQLSXGY-YSSFQJQWSA-N 0 1 379.464 2.671 20 0 GFADMN CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC000820197481 606976312 /nfs/dbraw/zinc/97/63/12/606976312.db2.gz JUNXBHDJBZMFAE-OAHLLOKOSA-N 0 1 399.474 2.824 20 0 GFADMN CCC(CC)(CC)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000820881850 607154980 /nfs/dbraw/zinc/15/49/80/607154980.db2.gz DSIBMCMBPCYUDI-UHFFFAOYSA-N 0 1 387.488 2.597 20 0 GFADMN Cc1cc(C)cc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)c1 ZINC000822197672 607209562 /nfs/dbraw/zinc/20/95/62/607209562.db2.gz KJOFPVWDSOKVHZ-UHFFFAOYSA-N 0 1 390.407 2.506 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000824600356 607814423 /nfs/dbraw/zinc/81/44/23/607814423.db2.gz YVXGKIQSFKLNJQ-GFCCVEGCSA-N 0 1 391.884 2.645 20 0 GFADMN CC[C@H](C)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061198 607816254 /nfs/dbraw/zinc/81/62/54/607816254.db2.gz WVZUJWBZSICGSL-WMLDXEAASA-N 0 1 377.514 2.541 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825140640 607911407 /nfs/dbraw/zinc/91/14/07/607911407.db2.gz LLYIFQGLYMHFIK-FUHWJXTLSA-N 0 1 394.508 2.986 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825140640 607911408 /nfs/dbraw/zinc/91/14/08/607911408.db2.gz LLYIFQGLYMHFIK-FUHWJXTLSA-N 0 1 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CC(C)CN1Cc2cccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2C1 ZINC000824266722 609447256 /nfs/dbraw/zinc/44/72/56/609447256.db2.gz OYSRPROHBALDDR-UHFFFAOYSA-N 0 1 398.492 2.639 20 0 GFADMN Ic1cnc(NCCN2CCc3ccccc3C2)nc1 ZINC000545207575 650451772 /nfs/dbraw/zinc/45/17/72/650451772.db2.gz FPROVDAENXPGBQ-UHFFFAOYSA-N 0 1 380.233 2.551 20 0 GFADMN CCN(CCNC(=O)Nc1ccn(CC(F)(F)F)n1)CCC(F)(F)F ZINC000494576461 650811841 /nfs/dbraw/zinc/81/18/41/650811841.db2.gz AOIHZLUFLQMESX-UHFFFAOYSA-N 0 1 375.317 2.841 20 0 GFADMN O=S(=O)(NCC(F)(F)Br)c1cc(F)ccc1OC(F)F ZINC000817392003 660193183 /nfs/dbraw/zinc/19/31/83/660193183.db2.gz HZFBYWLHLWREHP-UHFFFAOYSA-N 0 1 384.120 2.693 20 0 GFADMN CCc1noc(C)c1CNC(=O)c1cccc(I)c1O ZINC000817997931 660213063 /nfs/dbraw/zinc/21/30/63/660213063.db2.gz ARXIJWLMOIOTLG-UHFFFAOYSA-N 0 1 386.189 2.786 20 0 GFADMN CCOc1cc(Cl)ccc1CNC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819185142 660249422 /nfs/dbraw/zinc/24/94/22/660249422.db2.gz IGROVKXGVMMXBT-KRWDZBQOSA-N 0 1 383.897 2.965 20 0 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552495906 /nfs/dbraw/zinc/49/59/06/552495906.db2.gz LHIQYXOURSWJRV-GXTWGEPZSA-N 0 1 387.292 2.629 20 0 GFADMN Cc1n[nH]c(SCC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1 ZINC000190424771 552495909 /nfs/dbraw/zinc/49/59/09/552495909.db2.gz LHIQYXOURSWJRV-GXTWGEPZSA-N 0 1 387.292 2.629 20 0 GFADMN CN(C(=O)CCCCc1cn[nH]n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190439656 552496381 /nfs/dbraw/zinc/49/63/81/552496381.db2.gz ARDFHEHSDDHNIX-RDJZCZTQSA-N 0 1 383.279 2.941 20 0 GFADMN C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190716182 552506804 /nfs/dbraw/zinc/50/68/04/552506804.db2.gz QDZKKNNYSZZSLH-VIFPVBQESA-N 0 1 399.713 2.862 20 0 GFADMN C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000190716182 552506807 /nfs/dbraw/zinc/50/68/07/552506807.db2.gz QDZKKNNYSZZSLH-VIFPVBQESA-N 0 1 399.713 2.862 20 0 GFADMN O=C(CCNCc1ccc(Br)o1)N1CCN(c2ccccc2)CC1 ZINC000190912019 552513504 /nfs/dbraw/zinc/51/35/04/552513504.db2.gz OPWAMVBWAAJATB-UHFFFAOYSA-N 0 1 392.297 2.871 20 0 GFADMN CCO[C@@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000191083569 552517858 /nfs/dbraw/zinc/51/78/58/552517858.db2.gz LSMQDHMGXXOIBQ-ZDUSSCGKSA-N 0 1 384.318 2.560 20 0 GFADMN C[C@H]1CC[C@H](C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)O1 ZINC000191084264 552518287 /nfs/dbraw/zinc/51/82/87/552518287.db2.gz AGUGJJOUYIVLSY-SUMWQHHRSA-N 0 1 396.329 2.703 20 0 GFADMN CCCNC(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191313521 552524221 /nfs/dbraw/zinc/52/42/21/552524221.db2.gz SLNXVLXNIGZAKT-UHFFFAOYSA-N 0 1 385.287 2.861 20 0 GFADMN Cn1nc(Br)cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000191886083 552541127 /nfs/dbraw/zinc/54/11/27/552541127.db2.gz SMFHBMFOWSHOQG-LBPRGKRZSA-N 0 1 383.315 2.811 20 0 GFADMN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000192041686 552547212 /nfs/dbraw/zinc/54/72/12/552547212.db2.gz KWSWFHWXNSWBQJ-DYVFJYSZSA-N 0 1 387.307 2.862 20 0 GFADMN CC(C)[C@@H](CNC(=O)c1cccc(Br)c1F)N1CCN(C)CC1 ZINC000192105163 552551037 /nfs/dbraw/zinc/55/10/37/552551037.db2.gz QFLGOTHIVFLZAZ-OAHLLOKOSA-N 0 1 386.309 2.590 20 0 GFADMN COC(=O)c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC000192425129 552563088 /nfs/dbraw/zinc/56/30/88/552563088.db2.gz LFHXIFOIDARYJG-NSHDSACASA-N 0 1 384.274 2.699 20 0 GFADMN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000193254474 552987984 /nfs/dbraw/zinc/98/79/84/552987984.db2.gz SFFQSVWKPXLONX-LURJTMIESA-N 0 1 376.103 2.772 20 0 GFADMN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccc(Br)cc1 ZINC000192850209 552976276 /nfs/dbraw/zinc/97/62/76/552976276.db2.gz XZISTMAJYJLGFO-NSHDSACASA-N 0 1 380.242 2.719 20 0 GFADMN CC(=O)CCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000192930444 552978487 /nfs/dbraw/zinc/97/84/87/552978487.db2.gz MWDJRUCWGKNRQK-UHFFFAOYSA-N 0 1 397.313 2.778 20 0 GFADMN O=S(=O)([N-]CC[NH2+]C1CC1)c1ccc(Br)c(Cl)c1Cl ZINC000193258947 552987900 /nfs/dbraw/zinc/98/79/00/552987900.db2.gz DBYJOWSWYOSPJD-UHFFFAOYSA-N 0 1 388.114 2.786 20 0 GFADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1ncccc1Br ZINC000193269496 552988589 /nfs/dbraw/zinc/98/85/89/552988589.db2.gz PFINNJWVDNJMRE-UHFFFAOYSA-N 0 1 375.270 2.634 20 0 GFADMN COC(=O)c1cncc(S(=O)(=O)Nc2cccc(Br)c2C)c1 ZINC000193444802 552993588 /nfs/dbraw/zinc/99/35/88/552993588.db2.gz ZDBXEWBWSUZWJR-UHFFFAOYSA-N 0 1 385.239 2.740 20 0 GFADMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000194154047 553013370 /nfs/dbraw/zinc/01/33/70/553013370.db2.gz SQOIKNKHVAOIML-CQSZACIVSA-N 0 1 382.302 2.605 20 0 GFADMN CN(CCCNC(=O)[C@@](C)(N)c1ccc(Br)cc1)CC(F)(F)F ZINC000294199968 563833822 /nfs/dbraw/zinc/83/38/22/563833822.db2.gz VNENTWVQNUOOMN-AWEZNQCLSA-N 0 1 396.251 2.623 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000195301292 553044220 /nfs/dbraw/zinc/04/42/20/553044220.db2.gz FXLILMUXBUMBAB-CXAGYDPISA-N 0 1 381.523 2.513 20 0 GFADMN Brc1cccc(-c2c[nH]c(CNCCc3nnc4n3CCC4)n2)c1 ZINC000236661750 553070314 /nfs/dbraw/zinc/07/03/14/553070314.db2.gz JOYPRRGAGBGUQI-UHFFFAOYSA-N 0 1 387.285 2.709 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237110162 553074810 /nfs/dbraw/zinc/07/48/10/553074810.db2.gz XVCNQEKOQDVUDW-NWDGAFQWSA-N 0 1 383.286 2.629 20 0 GFADMN Cc1cn2c(nc(C)c2CNCc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000237119514 553075076 /nfs/dbraw/zinc/07/50/76/553075076.db2.gz KVAZVZBVYPAFIS-UHFFFAOYSA-N 0 1 378.523 2.553 20 0 GFADMN NCc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)o1 ZINC000237971040 553084534 /nfs/dbraw/zinc/08/45/34/553084534.db2.gz RTNLNGFBIROQQQ-LBPRGKRZSA-N 0 1 378.270 2.757 20 0 GFADMN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2nc[nH]c2c1 ZINC000244485714 553088517 /nfs/dbraw/zinc/08/85/17/553088517.db2.gz ZJULXJWLXYVSGR-UHFFFAOYSA-N 0 1 399.204 2.560 20 0 GFADMN CCCN(C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000246266150 553104860 /nfs/dbraw/zinc/10/48/60/553104860.db2.gz LXGCBLQHJPYYCG-OLMNPRSZSA-N 0 1 389.945 2.678 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246816606 553113354 /nfs/dbraw/zinc/11/33/54/553113354.db2.gz SHZZDJYWTDLTQY-BMGDILEWSA-N 0 1 393.325 2.733 20 0 GFADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246811021 553113539 /nfs/dbraw/zinc/11/35/39/553113539.db2.gz PVXPZGJVHRTQKK-UNEWFSDZSA-N 0 1 383.330 2.889 20 0 GFADMN O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246913887 553115488 /nfs/dbraw/zinc/11/54/88/553115488.db2.gz YCOQFJCJWIRBGD-KGLIPLIRSA-N 0 1 385.295 2.737 20 0 GFADMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CCO2)n[nH]1 ZINC000246934610 553115984 /nfs/dbraw/zinc/11/59/84/553115984.db2.gz MXNPJINQHAOPBG-ZNMIVQPWSA-N 0 1 391.269 2.579 20 0 GFADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2Br)CCN1C[C@@H](C)O ZINC000247778015 553126073 /nfs/dbraw/zinc/12/60/73/553126073.db2.gz REMFQPGLAYTABZ-RBSFLKMASA-N 0 1 398.345 2.553 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000248655241 553132589 /nfs/dbraw/zinc/13/25/89/553132589.db2.gz QHNXPDOIAYUCLS-NEPJUHHUSA-N 0 1 399.969 2.981 20 0 GFADMN CC(=O)N1CC[C@H](CN(C)[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000249073927 553138964 /nfs/dbraw/zinc/13/89/64/553138964.db2.gz LLHRHDXQVDOYEC-DYVFJYSZSA-N 0 1 384.307 2.899 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000249400536 553142899 /nfs/dbraw/zinc/14/28/99/553142899.db2.gz SMIRAQIKPKOJLF-ZIAGYGMSSA-N 0 1 398.345 2.553 20 0 GFADMN C[C@H]1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C(N)=O)C1 ZINC000249537824 553144202 /nfs/dbraw/zinc/14/42/02/553144202.db2.gz CYZGBYPPBUGWAG-IINYFYTJSA-N 0 1 386.265 2.503 20 0 GFADMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000252444727 553149786 /nfs/dbraw/zinc/14/97/86/553149786.db2.gz ZTHBEHVEDDKJBZ-SUMWQHHRSA-N 0 1 389.297 2.880 20 0 GFADMN C[C@H](CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000253359789 553151124 /nfs/dbraw/zinc/15/11/24/553151124.db2.gz NELOCPBVFJCDOC-CHWSQXEVSA-N 0 1 387.933 2.562 20 0 GFADMN O=S(=O)(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(F)c(Br)cc1F ZINC000253294187 553151134 /nfs/dbraw/zinc/15/11/34/553151134.db2.gz CKWVKVBMNVCIFP-BPTDKIDVSA-N 0 1 382.226 2.573 20 0 GFADMN Cc1cc(Br)ccc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000261674992 553155932 /nfs/dbraw/zinc/15/59/32/553155932.db2.gz HBQPAYPPGLMXMI-UHFFFAOYSA-N 0 1 390.329 2.832 20 0 GFADMN CCOC(=O)c1cc(NC(=O)[C@](C)(N)c2ccc(Br)cc2)cn1C ZINC000261746872 553157768 /nfs/dbraw/zinc/15/77/68/553157768.db2.gz MHSSETKSTDQUIN-QGZVFWFLSA-N 0 1 394.269 2.777 20 0 GFADMN C[C@](N)(C(=O)NC[C@H]1CSCCS1)c1ccc(Br)cc1 ZINC000261752761 553158196 /nfs/dbraw/zinc/15/81/96/553158196.db2.gz MVERSUPRPBHEGH-GXTWGEPZSA-N 0 1 375.357 2.588 20 0 GFADMN CN(C(=O)C[C@H]1COCCN1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262034646 553164845 /nfs/dbraw/zinc/16/48/45/553164845.db2.gz AVLFEWZPZHTTMR-JSGCOSHPSA-N 0 1 385.327 2.823 20 0 GFADMN CN(CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1)C(=O)c1cccs1 ZINC000262062789 553165431 /nfs/dbraw/zinc/16/54/31/553165431.db2.gz RSUDVMBMOCZGFB-HNNXBMFYSA-N 0 1 377.897 2.647 20 0 GFADMN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000263337157 553186442 /nfs/dbraw/zinc/18/64/42/553186442.db2.gz MQHWRISLUMGVJJ-AAEUAGOBSA-N 0 1 394.269 2.966 20 0 GFADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000263337157 553186443 /nfs/dbraw/zinc/18/64/43/553186443.db2.gz MQHWRISLUMGVJJ-AAEUAGOBSA-N 0 1 394.269 2.966 20 0 GFADMN Cc1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1I ZINC000371129294 563266291 /nfs/dbraw/zinc/26/62/91/563266291.db2.gz NAWXSPIRCULCGX-GFCCVEGCSA-N 0 1 396.232 2.738 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000425434987 563422397 /nfs/dbraw/zinc/42/23/97/563422397.db2.gz QVRMMVRIZHXEFS-UHFFFAOYSA-N 0 1 390.347 2.763 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)N(C)C1CC1 ZINC000312835005 563436567 /nfs/dbraw/zinc/43/65/67/563436567.db2.gz KAOOJJSAQOBWHN-VIFPVBQESA-N 0 1 381.723 2.864 20 0 GFADMN O=C1C[C@@]2(CCN(Cc3coc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000369378938 563213155 /nfs/dbraw/zinc/21/31/55/563213155.db2.gz 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ZINC000571076965 564534644 /nfs/dbraw/zinc/53/46/44/564534644.db2.gz VWDJMXOSDHOIHX-ZYHUDNBSSA-N 0 1 394.273 2.836 20 0 GFADMN O=C([C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1)N1CCCC1 ZINC000517446519 564534891 /nfs/dbraw/zinc/53/48/91/564534891.db2.gz IWYZRIWXDLTWHE-CQSZACIVSA-N 0 1 391.313 2.931 20 0 GFADMN CC(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2Br)n[nH]1)C(C)(C)C ZINC000517500888 564535379 /nfs/dbraw/zinc/53/53/79/564535379.db2.gz GTJFCQXXDXXSOM-GFCCVEGCSA-N 0 1 394.273 2.724 20 0 GFADMN O=C(NCCOc1ncc(Cl)cc1Cl)c1cn[nH]c1-c1ccccn1 ZINC000571130823 564537329 /nfs/dbraw/zinc/53/73/29/564537329.db2.gz QHQXIBBVXINNSX-UHFFFAOYSA-N 0 1 378.219 2.982 20 0 GFADMN O=C(NCc1cn2cc(Br)ccc2n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000482291034 564540905 /nfs/dbraw/zinc/54/09/05/564540905.db2.gz NVVFAZZUMSOZDV-CYBMUJFWSA-N 0 1 389.257 2.697 20 0 GFADMN CS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000518051048 564544616 /nfs/dbraw/zinc/54/46/16/564544616.db2.gz BDJPCQOKLMJSOX-UHFFFAOYSA-N 0 1 398.278 2.629 20 0 GFADMN 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564942823 /nfs/dbraw/zinc/94/28/23/564942823.db2.gz DGFGKQTZJPSMQN-PBFPGSCMSA-N 0 1 396.329 2.998 20 0 GFADMN CN(Cc1cc2c(cc1Br)OCO2)CC(C)(C)CN1CCOCC1 ZINC000532780490 564946094 /nfs/dbraw/zinc/94/60/94/564946094.db2.gz RPPHXBFBQVGJRM-UHFFFAOYSA-N 0 1 399.329 2.968 20 0 GFADMN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1csc(Cl)c1 ZINC000466996324 564952325 /nfs/dbraw/zinc/95/23/25/564952325.db2.gz OHIXDJXLASSDSF-UHFFFAOYSA-N 0 1 379.917 2.524 20 0 GFADMN CCc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000533075235 564953911 /nfs/dbraw/zinc/95/39/11/564953911.db2.gz JBZZIJBGRFMRST-UHFFFAOYSA-N 0 1 379.551 2.859 20 0 GFADMN CO[C@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)CC[C@H]1C ZINC000467073305 564955137 /nfs/dbraw/zinc/95/51/37/564955137.db2.gz FUPKSOXOYJYQCO-RNCFNFMXSA-N 0 1 399.232 2.665 20 0 GFADMN C[C@@H](CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl)N1CCC(C)CC1 ZINC000500687795 564960603 /nfs/dbraw/zinc/96/06/03/564960603.db2.gz NOUIGFRMJPCJIR-AWEZNQCLSA-N 0 1 391.940 2.866 20 0 GFADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)c(Br)cc1F ZINC000533796645 564972806 /nfs/dbraw/zinc/97/28/06/564972806.db2.gz LYXFFAZODSULMS-OLZOCXBDSA-N 0 1 395.269 2.632 20 0 GFADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n[nH]1 ZINC000534243664 564983319 /nfs/dbraw/zinc/98/33/19/564983319.db2.gz CTMWONUGGTYKRF-ZJUUUORDSA-N 0 1 384.889 2.944 20 0 GFADMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(C)cc(Br)cc2C)n[nH]1 ZINC000534242218 564983331 /nfs/dbraw/zinc/98/33/31/564983331.db2.gz JEUMEGDWUDQERY-SNVBAGLBSA-N 0 1 387.303 2.786 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc(I)cc32)C[C@H](C)O1 ZINC000534317592 564985351 /nfs/dbraw/zinc/98/53/51/564985351.db2.gz AAAWGXFRQLWNLI-DOFRTFSJSA-N 0 1 399.232 2.853 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000561164857 564986411 /nfs/dbraw/zinc/98/64/11/564986411.db2.gz YQXRGPOYSZBWME-WPRPVWTQSA-N 0 1 382.176 2.788 20 0 GFADMN Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)Cc1nnc[nH]1 ZINC000501877703 564987099 /nfs/dbraw/zinc/98/70/99/564987099.db2.gz ZGTORYOTVNQBEZ-UHFFFAOYSA-N 0 1 376.214 2.803 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000534423137 564988221 /nfs/dbraw/zinc/98/82/21/564988221.db2.gz JUDZDKYBRUYOES-CYBMUJFWSA-N 0 1 377.846 2.874 20 0 GFADMN C[C@H]1CC[C@H](C)N1CC(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468629816 564988569 /nfs/dbraw/zinc/98/85/69/564988569.db2.gz NAOXACFULZTBCC-RYUDHWBXSA-N 0 1 393.285 2.988 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@H](C)C1 ZINC000502376570 564997158 /nfs/dbraw/zinc/99/71/58/564997158.db2.gz OOASAGGFIWOTDU-IJLUTSLNSA-N 0 1 390.347 2.668 20 0 GFADMN Cc1nnc(NC(=O)CCc2nnc(-c3cc(F)ccc3Br)o2)[nH]1 ZINC000502693393 565003440 /nfs/dbraw/zinc/00/34/40/565003440.db2.gz IGSRZWHOJRXHER-UHFFFAOYSA-N 0 1 395.192 2.636 20 0 GFADMN O=C(Nc1cccc(I)c1)N1CCN(C2CCC2)CC1 ZINC000502703686 565003669 /nfs/dbraw/zinc/00/36/69/565003669.db2.gz NGZJPJIEUUYRKK-UHFFFAOYSA-N 0 1 385.249 2.993 20 0 GFADMN COc1c(NC(=O)c2cc(Br)cc3nc[nH]c32)cccc1C(N)=O ZINC000502831535 565006894 /nfs/dbraw/zinc/00/68/94/565006894.db2.gz VOQMMXJIHNWZAD-UHFFFAOYSA-N 0 1 389.209 2.685 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn(C)c1=O ZINC000535235396 565007762 /nfs/dbraw/zinc/00/77/62/565007762.db2.gz URCOXHVQGZCJFW-UHFFFAOYSA-N 0 1 393.209 2.535 20 0 GFADMN CN(CC(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CCSC1 ZINC000535317425 565010708 /nfs/dbraw/zinc/01/07/08/565010708.db2.gz DTDZHYCWPDIFKJ-GFCCVEGCSA-N 0 1 375.307 2.684 20 0 GFADMN CCCN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000535597699 565016013 /nfs/dbraw/zinc/01/60/13/565016013.db2.gz IURBPFKYAHRYKW-UHFFFAOYSA-N 0 1 392.543 2.514 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000535728870 565019399 /nfs/dbraw/zinc/01/93/99/565019399.db2.gz XVIOXLPFHUEOGP-NHYWBVRUSA-N 0 1 393.281 2.770 20 0 GFADMN O=S1(=O)CCO[C@@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000535785364 565021182 /nfs/dbraw/zinc/02/11/82/565021182.db2.gz SELBEICIJYAORM-LBPRGKRZSA-N 0 1 391.333 2.627 20 0 GFADMN O=C(c1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1)N1CCSCC1 ZINC000535780621 565021277 /nfs/dbraw/zinc/02/12/77/565021277.db2.gz QWAZTQXUDQWCBK-UHFFFAOYSA-N 0 1 397.909 2.725 20 0 GFADMN COc1ccccc1C(=O)CNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503511715 565022028 /nfs/dbraw/zinc/02/20/28/565022028.db2.gz GCNGAQCZOLPXSE-UHFFFAOYSA-N 0 1 388.221 2.947 20 0 GFADMN CN(C)C(=O)CCN1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000469715607 565024844 /nfs/dbraw/zinc/02/48/44/565024844.db2.gz OUBLLHLYIFMOBP-UHFFFAOYSA-N 0 1 388.737 2.698 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCCN(C[C@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720634 565025142 /nfs/dbraw/zinc/02/51/42/565025142.db2.gz JMNIBXFSONKMLW-GXTWGEPZSA-N 0 1 381.464 2.672 20 0 GFADMN CO[C@@H](C)c1nc(CN2CCCN(C[C@@H](O)CC(F)(F)F)CC2)cs1 ZINC000469720635 565025337 /nfs/dbraw/zinc/02/53/37/565025337.db2.gz JMNIBXFSONKMLW-JSGCOSHPSA-N 0 1 381.464 2.672 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(Br)c(F)cc1F ZINC000469818661 565028740 /nfs/dbraw/zinc/02/87/40/565028740.db2.gz GNRJZKVIUNKPLF-SNVBAGLBSA-N 0 1 391.256 2.645 20 0 GFADMN O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Br)cc2nc[nH]c21 ZINC000503987398 565032851 /nfs/dbraw/zinc/03/28/51/565032851.db2.gz RADIYIMDXKGWOQ-UHFFFAOYSA-N 0 1 384.197 2.553 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CC1(O)CCC1 ZINC000562629466 565036285 /nfs/dbraw/zinc/03/62/85/565036285.db2.gz QJWITKZYSMQCFB-ZDUSSCGKSA-N 0 1 396.329 2.833 20 0 GFADMN CCn1cc(S(=O)(=O)Nc2cc(C[S@](C)=O)ccc2Cl)nc1C ZINC000504254946 565037329 /nfs/dbraw/zinc/03/73/29/565037329.db2.gz XGDLUGBDZFVGOL-QFIPXVFZSA-N 0 1 375.903 2.544 20 0 GFADMN COc1ccc2c(c1)OC[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388167 565038715 /nfs/dbraw/zinc/03/87/15/565038715.db2.gz OOTHJAZLSMKSTP-YOEHRIQHSA-N 0 1 391.265 2.577 20 0 GFADMN CC1(CNS(=O)(=O)c2cc(F)c(Br)cc2F)CCOCC1 ZINC000536592699 565041640 /nfs/dbraw/zinc/04/16/40/565041640.db2.gz OQGXOOLSZMHKDB-UHFFFAOYSA-N 0 1 384.242 2.822 20 0 GFADMN COCCN(C(=O)c1n[nH]c(-c2ccccc2)c1Br)[C@@H]1CCOC1 ZINC000470578428 565050165 /nfs/dbraw/zinc/05/01/65/565050165.db2.gz JCOWEACLFXJGBG-CYBMUJFWSA-N 0 1 394.269 2.717 20 0 GFADMN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(Br)c1O ZINC000537639240 565060369 /nfs/dbraw/zinc/06/03/69/565060369.db2.gz RQPVHWYGYBXPSL-BXKDBHETSA-N 0 1 387.299 2.585 20 0 GFADMN O=C(NCCN1CC=CCC1)c1ccn(-c2cccc(Br)c2)n1 ZINC000537723718 565062163 /nfs/dbraw/zinc/06/21/63/565062163.db2.gz LCCDLMWQCATLBJ-UHFFFAOYSA-N 0 1 375.270 2.627 20 0 GFADMN Cc1nc([C@@H](NC(=O)CN(C)[C@@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537829002 565063566 /nfs/dbraw/zinc/06/35/66/565063566.db2.gz BKGQJMHPDPNUSJ-ZBFHGGJFSA-N 0 1 380.901 2.674 20 0 GFADMN Cc1nc([C@@H](NC(=O)CN(C)[C@H]2CCSC2)c2ccc(Cl)cc2)no1 ZINC000537829000 565063701 /nfs/dbraw/zinc/06/37/01/565063701.db2.gz BKGQJMHPDPNUSJ-HOCLYGCPSA-N 0 1 380.901 2.674 20 0 GFADMN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(Br)c1O ZINC000537917487 565064492 /nfs/dbraw/zinc/06/44/92/565064492.db2.gz RFJGNUUJQFTGAL-CQSZACIVSA-N 0 1 394.269 2.719 20 0 GFADMN Cc1cc(Br)cc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1C ZINC000613764888 565079351 /nfs/dbraw/zinc/07/93/51/565079351.db2.gz FJUFBKJKPBWSDK-CYBMUJFWSA-N 0 1 383.330 2.983 20 0 GFADMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1c[nH]c(=O)c(Br)c1 ZINC000684845838 565085435 /nfs/dbraw/zinc/08/54/35/565085435.db2.gz VFNPQOVUQWQJCA-UHFFFAOYSA-N 0 1 378.161 2.726 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000636251212 565100540 /nfs/dbraw/zinc/10/05/40/565100540.db2.gz BRYQLFXBOXKBHU-CYBMUJFWSA-N 0 1 396.314 2.678 20 0 GFADMN Cc1cc(N2CCC[C@H](NCc3c(F)cncc3Br)C2)n(C)n1 ZINC000657450454 565101978 /nfs/dbraw/zinc/10/19/78/565101978.db2.gz UMTDGBJSPXKBGL-LBPRGKRZSA-N 0 1 382.281 2.784 20 0 GFADMN CCCn1nccc1CNCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000657465344 565103358 /nfs/dbraw/zinc/10/33/58/565103358.db2.gz ZAEPHLHTXFODGR-UHFFFAOYSA-N 0 1 391.324 2.668 20 0 GFADMN O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614438247 565112197 /nfs/dbraw/zinc/11/21/97/565112197.db2.gz NXGBBHYTHLBUJA-CQSZACIVSA-N 0 1 385.277 2.915 20 0 GFADMN FC(F)CN1CCC(NCc2ncc(I)s2)CC1 ZINC000586776521 565115602 /nfs/dbraw/zinc/11/56/02/565115602.db2.gz WIAVPMPKBZGPAD-UHFFFAOYSA-N 0 1 387.237 2.567 20 0 GFADMN C[C@@H]1CC[C@@H](NCc2cnn(-c3ccc(Br)cc3)c2)CS1(=O)=O ZINC000657639390 565115919 /nfs/dbraw/zinc/11/59/19/565115919.db2.gz SCEQUDGHFKAJED-IUODEOHRSA-N 0 1 398.326 2.690 20 0 GFADMN O=C(N[C@@H](CO)CN1CCCCC1)c1c(Cl)cccc1Br ZINC000614660549 565127016 /nfs/dbraw/zinc/12/70/16/565127016.db2.gz KBEPPONWFQPALJ-LLVKDONJSA-N 0 1 375.694 2.679 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H](C)O1 ZINC000636829739 565127620 /nfs/dbraw/zinc/12/76/20/565127620.db2.gz ASHVNLQAKARKFS-GIPNMCIBSA-N 0 1 394.273 2.599 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C)O1 ZINC000636829739 565127626 /nfs/dbraw/zinc/12/76/26/565127626.db2.gz ASHVNLQAKARKFS-GIPNMCIBSA-N 0 1 394.273 2.599 20 0 GFADMN Cc1cn2nc(NCc3n[nH]c(-c4ccc(Br)cc4)n3)sc2n1 ZINC000588664012 565136026 /nfs/dbraw/zinc/13/60/26/565136026.db2.gz MSYKWOWLWPADKK-UHFFFAOYSA-N 0 1 390.270 3.259 20 0 GFADMN Cc1cn2nc(NCc3nc(-c4ccc(Br)cc4)n[nH]3)sc2n1 ZINC000588664012 565136031 /nfs/dbraw/zinc/13/60/31/565136031.db2.gz MSYKWOWLWPADKK-UHFFFAOYSA-N 0 1 390.270 3.259 20 0 GFADMN COc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cn1 ZINC000588652425 565136269 /nfs/dbraw/zinc/13/62/69/565136269.db2.gz KZLNXGBFXINCCY-UHFFFAOYSA-N 0 1 388.225 2.568 20 0 GFADMN COc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000588652425 565136272 /nfs/dbraw/zinc/13/62/72/565136272.db2.gz KZLNXGBFXINCCY-UHFFFAOYSA-N 0 1 388.225 2.568 20 0 GFADMN Cn1ccnc1[C@@H](NCCC1(CS(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000658080377 565149089 /nfs/dbraw/zinc/14/90/89/565149089.db2.gz YWKOZFLWDJRWIW-INIZCTEOSA-N 0 1 381.929 2.967 20 0 GFADMN Cc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000658123850 565151688 /nfs/dbraw/zinc/15/16/88/565151688.db2.gz 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CCN(C(=O)C(=O)Nc1nc(-c2ccc(C)s2)cs1)[C@H]1CCN(C)C1 ZINC000658359485 565161974 /nfs/dbraw/zinc/16/19/74/565161974.db2.gz BNMGOKFWQNVEGQ-LBPRGKRZSA-N 0 1 378.523 2.671 20 0 GFADMN CC(C)C(=O)N1CCCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590126036 565178795 /nfs/dbraw/zinc/17/87/95/565178795.db2.gz CRZIOOHNLHERKK-AWEZNQCLSA-N 0 1 389.323 2.923 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000615961376 565180746 /nfs/dbraw/zinc/18/07/46/565180746.db2.gz QVPWTUJFQGGPIN-NSHDSACASA-N 0 1 381.274 2.587 20 0 GFADMN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000638119939 565184461 /nfs/dbraw/zinc/18/44/61/565184461.db2.gz BXOBGHXRYQZAFS-MRXNPFEDSA-N 0 1 382.913 2.761 20 0 GFADMN O=C(NCCCCN1CCOCC1)c1c[nH]c2ccc(Br)cc21 ZINC000590498828 565190133 /nfs/dbraw/zinc/19/01/33/565190133.db2.gz PHQVXCIFFFWLBE-UHFFFAOYSA-N 0 1 380.286 2.773 20 0 GFADMN O=C(Nc1n[nH]c2cc(O)ccc21)c1c(F)cccc1I ZINC000590558095 565191853 /nfs/dbraw/zinc/19/18/53/565191853.db2.gz 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565220833 /nfs/dbraw/zinc/22/08/33/565220833.db2.gz RMAUBMUNZMFHTB-SJKOYZFVSA-N 0 1 380.897 2.663 20 0 GFADMN CNS(=O)(=O)c1ccc(CN(C)Cc2ccc(SC)c(OC)c2)cc1 ZINC000659860703 565226363 /nfs/dbraw/zinc/22/63/63/565226363.db2.gz BZZFUVBGKFMJDB-UHFFFAOYSA-N 0 1 380.535 2.957 20 0 GFADMN CN(CCc1nnn(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000659852025 565226773 /nfs/dbraw/zinc/22/67/73/565226773.db2.gz JOIWZMNIJCTGGM-GOEBONIOSA-N 0 1 384.311 2.868 20 0 GFADMN CC(C)CNC(=O)CCCN(CCO)Cc1cc(Br)ccc1F ZINC000659876506 565228667 /nfs/dbraw/zinc/22/86/67/565228667.db2.gz ILPQYIKESNAKED-UHFFFAOYSA-N 0 1 389.309 2.935 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N[C@H]1CCCN(C)C1 ZINC000617413357 565237125 /nfs/dbraw/zinc/23/71/25/565237125.db2.gz JLAIMZUFQOHXSM-ZDUSSCGKSA-N 0 1 383.286 2.631 20 0 GFADMN O=C1CCCC12CCN(S(=O)(=O)c1cc(C(F)(F)F)ccc1O)CC2 ZINC000660002401 565237117 /nfs/dbraw/zinc/23/71/17/565237117.db2.gz BAYXAOVFKPEBCU-UHFFFAOYSA-N 0 1 377.384 2.935 20 0 GFADMN OCCC1(CCO)CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000639395899 565243965 /nfs/dbraw/zinc/24/39/65/565243965.db2.gz PIEFPOVNWGXGBI-UHFFFAOYSA-N 0 1 386.286 2.525 20 0 GFADMN COCCN1CCC[C@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000592097457 565255358 /nfs/dbraw/zinc/25/53/58/565255358.db2.gz VKNBJEUMKUIRJM-LBPRGKRZSA-N 0 1 398.276 2.910 20 0 GFADMN CNc1cc2c(nn1)CCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000592115094 565257802 /nfs/dbraw/zinc/25/78/02/565257802.db2.gz BNJHESVXXFCGNZ-UHFFFAOYSA-N 0 1 380.279 3.212 20 0 GFADMN CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1c(F)cccc1Cl ZINC000660149113 565259612 /nfs/dbraw/zinc/25/96/12/565259612.db2.gz ADLRDBVGKKUYKB-CYBMUJFWSA-N 0 1 390.908 2.743 20 0 GFADMN Cn1ccnc1[C@H](NCCOc1cccc(Br)c1)C(C)(C)CO ZINC000639774106 565259678 /nfs/dbraw/zinc/25/96/78/565259678.db2.gz JQQTWYZTAPEAKA-HNNXBMFYSA-N 0 1 382.302 2.911 20 0 GFADMN Cn1ccnc1[C@H](NCCOc1ccc(Br)cc1)C(C)(C)CO ZINC000639774248 565260049 /nfs/dbraw/zinc/26/00/49/565260049.db2.gz TUEDFBRARREFHR-HNNXBMFYSA-N 0 1 382.302 2.911 20 0 GFADMN CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000660150573 565260797 /nfs/dbraw/zinc/26/07/97/565260797.db2.gz JSOQHFMVYUNNOC-CYBMUJFWSA-N 0 1 390.908 2.743 20 0 GFADMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592173600 565262438 /nfs/dbraw/zinc/26/24/38/565262438.db2.gz XYYZVWTVCIMWDL-NFAWXSAZSA-N 0 1 386.539 2.670 20 0 GFADMN CN(CC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@H]1CCSC1 ZINC000617838453 565262848 /nfs/dbraw/zinc/26/28/48/565262848.db2.gz SEYKIHAJYLCMFO-PKOBYXMFSA-N 0 1 382.957 2.985 20 0 GFADMN Nc1nnc([C@H]2CCCN(Cc3nc4ccc(Br)cc4[nH]3)C2)o1 ZINC000639821322 565263321 /nfs/dbraw/zinc/26/33/21/565263321.db2.gz HKMDAAKYLFJMGK-VIFPVBQESA-N 0 1 377.246 2.670 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(CCO)(CCO)CC1 ZINC000640012417 565274801 /nfs/dbraw/zinc/27/48/01/565274801.db2.gz CZHDMYPMMZEODE-AWEZNQCLSA-N 0 1 399.329 2.623 20 0 GFADMN O=C(N1CCN([C@H]2CCC[C@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406934 565275686 /nfs/dbraw/zinc/27/56/86/565275686.db2.gz SYRIMIFTNLIQNQ-DLBZAZTESA-N 0 1 393.325 2.538 20 0 GFADMN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CC1CN(C)C1 ZINC000618196203 565279216 /nfs/dbraw/zinc/27/92/16/565279216.db2.gz NKGXRLPSUNVWIJ-JTQLQIEISA-N 0 1 375.694 2.890 20 0 GFADMN CN(CC1CN(C)C1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000618195341 565279590 /nfs/dbraw/zinc/27/95/90/565279590.db2.gz DVECZQFAJCTCMH-MRXNPFEDSA-N 0 1 384.307 2.618 20 0 GFADMN CCc1c(C(=O)N(C)CC2CN(C)C2)cnn1-c1ccc(Br)cc1 ZINC000618195282 565279752 /nfs/dbraw/zinc/27/97/52/565279752.db2.gz BDJMIHWBIGRYOT-UHFFFAOYSA-N 0 1 391.313 2.831 20 0 GFADMN CN(CC1CN(C)C1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000618195295 565279853 /nfs/dbraw/zinc/27/98/53/565279853.db2.gz BWLGIFJPKOEPJF-INIZCTEOSA-N 0 1 384.307 2.618 20 0 GFADMN COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C ZINC000592515883 565280138 /nfs/dbraw/zinc/28/01/38/565280138.db2.gz WRYLDQVEJPBOGZ-CZUORRHYSA-N 0 1 397.313 2.527 20 0 GFADMN CC[C@H](C)N1CCN(CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000660738925 565292294 /nfs/dbraw/zinc/29/22/94/565292294.db2.gz UTOWNVKJNXFUOJ-LBPRGKRZSA-N 0 1 379.302 2.924 20 0 GFADMN CNC(=O)[C@H]1CCN(Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000660833216 565294839 /nfs/dbraw/zinc/29/48/39/565294839.db2.gz QTBYYLLMCJNMKC-NSHDSACASA-N 0 1 395.219 2.958 20 0 GFADMN CC(C)(C)C(=O)N1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000592837647 565299423 /nfs/dbraw/zinc/29/94/23/565299423.db2.gz CLGKQRJNLDUZNC-UHFFFAOYSA-N 0 1 383.286 2.922 20 0 GFADMN Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cccc(Br)c1O ZINC000592852235 565301034 /nfs/dbraw/zinc/30/10/34/565301034.db2.gz XTHQJYIZNBBYSN-CYBMUJFWSA-N 0 1 394.265 2.941 20 0 GFADMN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000593027847 565309154 /nfs/dbraw/zinc/30/91/54/565309154.db2.gz XNVYYABJMLBJHJ-AAEUAGOBSA-N 0 1 392.668 2.949 20 0 GFADMN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000661141423 565310543 /nfs/dbraw/zinc/31/05/43/565310543.db2.gz PNEZHZPBJHODLM-UONOGXRCSA-N 0 1 392.301 2.698 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618772612 565315477 /nfs/dbraw/zinc/31/54/77/565315477.db2.gz HSBWBPBYYDTUCT-BLLLJJGKSA-N 0 1 378.270 2.951 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)N(C)Cc2cc(Br)cn2C)c1 ZINC000640565602 565316722 /nfs/dbraw/zinc/31/67/22/565316722.db2.gz SXLLUJMMUFMZAI-UHFFFAOYSA-N 0 1 380.290 2.908 20 0 GFADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1csc(I)c1 ZINC000593189210 565318488 /nfs/dbraw/zinc/31/84/88/565318488.db2.gz XPCMVONNLOKJBQ-BBBLOLIVSA-N 0 1 378.279 2.906 20 0 GFADMN CN1CC2(C1)CCN(C(=O)c1ccc(I)cc1Cl)C2 ZINC000618921247 565321718 /nfs/dbraw/zinc/32/17/18/565321718.db2.gz PSSXPSLSDNAVAZ-UHFFFAOYSA-N 0 1 390.652 2.722 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000640782613 565326586 /nfs/dbraw/zinc/32/65/86/565326586.db2.gz VQIOVQXZJGIOFC-ZDBHGNHJSA-N 0 1 384.267 2.963 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)n1cc(CNC2CC2)nn1 ZINC000640925564 565337314 /nfs/dbraw/zinc/33/73/14/565337314.db2.gz LPQDIKGHPCFXFA-LBPRGKRZSA-N 0 1 392.301 2.512 20 0 GFADMN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000619454129 565342526 /nfs/dbraw/zinc/34/25/26/565342526.db2.gz UOBKCQYUFPSYHD-FZMZJTMJSA-N 0 1 396.216 2.565 20 0 GFADMN OCC1(CO)CCN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000661963734 565343294 /nfs/dbraw/zinc/34/32/94/565343294.db2.gz HBYQKYRDIXHZBQ-UHFFFAOYSA-N 0 1 377.897 2.893 20 0 GFADMN O[C@@H]1CCCC[C@H]1c1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000641162441 565351026 /nfs/dbraw/zinc/35/10/26/565351026.db2.gz MXNQUJDFNCXOGT-XHDPSFHLSA-N 0 1 376.258 2.984 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000662223815 565355602 /nfs/dbraw/zinc/35/56/02/565355602.db2.gz QMJCKJXEYQUGTK-UHFFFAOYSA-N 0 1 391.331 2.902 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662223815 565355604 /nfs/dbraw/zinc/35/56/04/565355604.db2.gz QMJCKJXEYQUGTK-UHFFFAOYSA-N 0 1 391.331 2.902 20 0 GFADMN COc1ccccc1[C@@H](N)CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000662396916 565363929 /nfs/dbraw/zinc/36/39/29/565363929.db2.gz PFZMELDWBIZESJ-ZDUSSCGKSA-N 0 1 395.301 2.839 20 0 GFADMN COCCN1CC[C@H](NC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000593910901 565367090 /nfs/dbraw/zinc/36/70/90/565367090.db2.gz IBKKMOUKZVAJQD-JSGCOSHPSA-N 0 1 387.343 2.767 20 0 GFADMN CCC(C)(C)N1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000594389089 565382820 /nfs/dbraw/zinc/38/28/20/565382820.db2.gz FHGNYVPDTJKXNE-UHFFFAOYSA-N 0 1 375.254 2.566 20 0 GFADMN CC(C)OC[C@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862511 565388771 /nfs/dbraw/zinc/38/87/71/565388771.db2.gz QZDOKVZUYDUADT-AWEZNQCLSA-N 0 1 380.286 2.567 20 0 GFADMN CC(C)c1nc(CC2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)n[nH]1 ZINC000641643905 565390615 /nfs/dbraw/zinc/39/06/15/565390615.db2.gz KHVQQDYKRRCCOF-UHFFFAOYSA-N 0 1 376.473 2.558 20 0 GFADMN CC(C)c1nnc(CC2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)[nH]1 ZINC000641643905 565390618 /nfs/dbraw/zinc/39/06/18/565390618.db2.gz KHVQQDYKRRCCOF-UHFFFAOYSA-N 0 1 376.473 2.558 20 0 GFADMN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000641664073 565391653 /nfs/dbraw/zinc/39/16/53/565391653.db2.gz HDXUJUNHAVTWKI-QGZVFWFLSA-N 0 1 386.323 2.520 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)cn1 ZINC000641692661 565395771 /nfs/dbraw/zinc/39/57/71/565395771.db2.gz RBJIGVGRORFIKI-UHFFFAOYSA-N 0 1 384.767 2.693 20 0 GFADMN COc1cc(Br)c(S(=O)(=O)Nc2conc2C)cc1OC ZINC000641693817 565395794 /nfs/dbraw/zinc/39/57/94/565395794.db2.gz HCYVBNLLMSPSEG-UHFFFAOYSA-N 0 1 377.216 2.564 20 0 GFADMN O[C@H](CNCc1cc(Br)sc1Br)[C@@H]1CCCO1 ZINC000641775628 565398818 /nfs/dbraw/zinc/39/88/18/565398818.db2.gz NSZJEODVXKGISV-BDAKNGLRSA-N 0 1 385.121 2.903 20 0 GFADMN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(OC)ccc1Cl)C(F)(F)F ZINC000594700726 565409663 /nfs/dbraw/zinc/40/96/63/565409663.db2.gz UHXKYJDAQHYDOH-NSHDSACASA-N 0 1 389.779 2.511 20 0 GFADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1Cl ZINC000594774901 565419314 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Cn1ccnc1CN1CC[NH+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000738410425 600640070 /nfs/dbraw/zinc/64/00/70/600640070.db2.gz IJHXGLNKJBKXPP-UHFFFAOYSA-N 0 1 388.468 2.790 20 0 GFADMN O=C([O-])Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000739883273 600650548 /nfs/dbraw/zinc/65/05/48/600650548.db2.gz IYZOQCXKMLEXIW-SFHVURJKSA-N 0 1 394.537 2.637 20 0 GFADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829396709 600664389 /nfs/dbraw/zinc/66/43/89/600664389.db2.gz UMPWOCUCZWESDJ-OAHLLOKOSA-N 0 1 391.468 2.948 20 0 GFADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000738671475 600686552 /nfs/dbraw/zinc/68/65/52/600686552.db2.gz YLWKKNUNIWJYNX-GDBMZVCRSA-N 0 1 392.502 2.751 20 0 GFADMN CCC[N@@H+](C[C@H](O)COc1ccc(C(=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737017828 600716696 /nfs/dbraw/zinc/71/66/96/600716696.db2.gz FGDWAEMVJBQAFS-JCHJZTRSSA-N 0 1 377.481 2.650 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 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FDHMZIOIOMGSLA-YPMHNXCESA-N 0 1 392.477 2.655 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc(C(=O)[O-])c1 ZINC000737665246 600967602 /nfs/dbraw/zinc/96/76/02/600967602.db2.gz FIWCDHWTNDHHPS-MRXNPFEDSA-N 0 1 396.443 2.675 20 0 GFADMN CC[C@@](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)(C(=O)[O-])c1ccccc1 ZINC000828926242 600973689 /nfs/dbraw/zinc/97/36/89/600973689.db2.gz DFBBDBJRULJIQK-REWPJTCUSA-N 0 1 396.487 2.784 20 0 GFADMN CC[C@@](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)(C(=O)[O-])c1ccccc1 ZINC000828926242 600973691 /nfs/dbraw/zinc/97/36/91/600973691.db2.gz DFBBDBJRULJIQK-REWPJTCUSA-N 0 1 396.487 2.784 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000833232162 601012197 /nfs/dbraw/zinc/01/21/97/601012197.db2.gz SXMWFUMLMCMZAX-IBGZPJMESA-N 0 1 389.496 2.571 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000833232162 601012201 /nfs/dbraw/zinc/01/22/01/601012201.db2.gz SXMWFUMLMCMZAX-IBGZPJMESA-N 0 1 389.496 2.571 20 0 GFADMN Cc1cc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ccc1C(=O)[O-] ZINC000832895496 601039291 /nfs/dbraw/zinc/03/92/91/601039291.db2.gz XLJGETKTHRDQSC-LJQANCHMSA-N 0 1 383.448 2.576 20 0 GFADMN Cc1sc(NC(=O)CN2CC[N@H+](C)CC23CCCCC3)c(C(=O)[O-])c1C ZINC000833033787 601047285 /nfs/dbraw/zinc/04/72/85/601047285.db2.gz HETJWARZZKTIRQ-UHFFFAOYSA-N 0 1 379.526 2.952 20 0 GFADMN CC(C)Cc1ccc(C(=O)CCC(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000826909551 601089380 /nfs/dbraw/zinc/08/93/80/601089380.db2.gz DESXNIYDKFBLES-KRWDZBQOSA-N 0 1 388.508 2.855 20 0 GFADMN COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000831293820 601106194 /nfs/dbraw/zinc/10/61/94/601106194.db2.gz GIIOLLHANSGJHJ-MRXNPFEDSA-N 0 1 397.431 2.567 20 0 GFADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000635340291 601114726 /nfs/dbraw/zinc/11/47/26/601114726.db2.gz LRVZFCJKAYAKBD-KRWDZBQOSA-N 0 1 386.452 2.514 20 0 GFADMN CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000829481936 601175466 /nfs/dbraw/zinc/17/54/66/601175466.db2.gz HKNRIDJREOFCLO-UHFFFAOYSA-N 0 1 395.525 2.502 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000832865963 601214979 /nfs/dbraw/zinc/21/49/79/601214979.db2.gz CDBSJUOUQYMUNV-HNNXBMFYSA-N 0 1 382.507 2.644 20 0 GFADMN C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000237543106 601218421 /nfs/dbraw/zinc/21/84/21/601218421.db2.gz RPUDIFOFXWFUCA-SNVBAGLBSA-N 0 1 395.308 2.702 20 0 GFADMN Cc1oc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C(=O)[O-] ZINC000833028212 601221550 /nfs/dbraw/zinc/22/15/50/601221550.db2.gz JQFKRGVHYWLJFD-DZGCQCFKSA-N 0 1 384.498 2.561 20 0 GFADMN CCCN(C(=O)c1ccnc(C(=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000829453829 601287312 /nfs/dbraw/zinc/28/73/12/601287312.db2.gz ZZCXXEFCLKUNNA-UHFFFAOYSA-N 0 1 397.479 2.708 20 0 GFADMN CN(CC(=O)N(C)c1ccccc1C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830478733 601306155 /nfs/dbraw/zinc/30/61/55/601306155.db2.gz WAWRVALNUPKWJM-IBGZPJMESA-N 0 1 395.503 2.944 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000830906014 601307368 /nfs/dbraw/zinc/30/73/68/601307368.db2.gz GSRBEQUOQWOULZ-DENIHFKCSA-N 0 1 399.491 2.614 20 0 GFADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+]3Cc4ccc(C(=O)[O-])cc4C3)C2=O)c1 ZINC000832088551 601376659 /nfs/dbraw/zinc/37/66/59/601376659.db2.gz PTLUZBMHPFLUDD-IBGZPJMESA-N 0 1 382.416 2.523 20 0 GFADMN COc1cc(OC)cc(N2CC[C@H]([N@H+]3Cc4ccc(C(=O)[O-])cc4C3)C2=O)c1 ZINC000832088551 601376665 /nfs/dbraw/zinc/37/66/65/601376665.db2.gz PTLUZBMHPFLUDD-IBGZPJMESA-N 0 1 382.416 2.523 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cn2ncc3cc(C(=O)[O-])ccc32)C1)CC(F)(F)F ZINC000829693113 601401242 /nfs/dbraw/zinc/40/12/42/601401242.db2.gz VQUHXKQGRYWHPV-ZDUSSCGKSA-N 0 1 384.402 2.898 20 0 GFADMN COc1ccc(COC[C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000573339970 601433802 /nfs/dbraw/zinc/43/38/02/601433802.db2.gz ALWLIDAXFJEKOY-SBHAEUEKSA-N 0 1 391.508 2.928 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000825913325 601434740 /nfs/dbraw/zinc/43/47/40/601434740.db2.gz ODHDQPYWTWCSCX-QFBILLFUSA-N 0 1 387.480 2.939 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000825913325 601434741 /nfs/dbraw/zinc/43/47/41/601434741.db2.gz ODHDQPYWTWCSCX-QFBILLFUSA-N 0 1 387.480 2.939 20 0 GFADMN CC[N@H+]1CCCC[C@@H]1CNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000829771369 601444696 /nfs/dbraw/zinc/44/46/96/601444696.db2.gz VMRVXJGCHHNVGI-CYBMUJFWSA-N 0 1 390.871 2.870 20 0 GFADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000811685422 601453198 /nfs/dbraw/zinc/45/31/98/601453198.db2.gz RNGYLFDEERFAQA-PMACEKPBSA-N 0 1 384.451 2.992 20 0 GFADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000811685422 601453199 /nfs/dbraw/zinc/45/31/99/601453199.db2.gz RNGYLFDEERFAQA-PMACEKPBSA-N 0 1 384.451 2.992 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CC[C@@H](C(C)C)C1 ZINC000831230759 601497623 /nfs/dbraw/zinc/49/76/23/601497623.db2.gz KPSDPANBWKVLHX-GFCCVEGCSA-N 0 1 382.482 2.848 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000828258801 601507181 /nfs/dbraw/zinc/50/71/81/601507181.db2.gz SUMISHMLAPGXDU-MRXNPFEDSA-N 0 1 394.537 2.735 20 0 GFADMN CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829619231 601509699 /nfs/dbraw/zinc/50/96/99/601509699.db2.gz VYLPZFLCHMGDRN-FUHWJXTLSA-N 0 1 394.537 2.729 20 0 GFADMN CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000831526548 601539421 /nfs/dbraw/zinc/53/94/21/601539421.db2.gz IFTGNNLWYKNYCA-XTZNXHDOSA-N 0 1 379.482 2.627 20 0 GFADMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000831526548 601539422 /nfs/dbraw/zinc/53/94/22/601539422.db2.gz IFTGNNLWYKNYCA-XTZNXHDOSA-N 0 1 379.482 2.627 20 0 GFADMN COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000831821660 601539980 /nfs/dbraw/zinc/53/99/80/601539980.db2.gz CTHCDYMNHPMKLO-PMACEKPBSA-N 0 1 388.508 2.805 20 0 GFADMN COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000831821660 601539983 /nfs/dbraw/zinc/53/99/83/601539983.db2.gz CTHCDYMNHPMKLO-PMACEKPBSA-N 0 1 388.508 2.805 20 0 GFADMN C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000828128712 601552529 /nfs/dbraw/zinc/55/25/29/601552529.db2.gz VZZIOFFRNCNJJI-REWPJTCUSA-N 0 1 378.472 2.688 20 0 GFADMN Cc1cc(C(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(C)n1CC(F)(F)F ZINC000832860131 601596415 /nfs/dbraw/zinc/59/64/15/601596415.db2.gz ZCPRHDQGVATNCK-UHFFFAOYSA-N 0 1 390.402 2.806 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826027746 601608786 /nfs/dbraw/zinc/60/87/86/601608786.db2.gz ZWQGDNPUELCRNN-FFZOFVMBSA-N 0 1 381.476 2.872 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@]4(CCOC4)C3)c2C(=O)[O-])C1 ZINC000828309976 601661235 /nfs/dbraw/zinc/66/12/35/601661235.db2.gz HXMMURYXWFMFHG-BLVKFPJESA-N 0 1 378.494 2.622 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@]4(CCOC4)C3)c2C(=O)[O-])C1 ZINC000828309976 601661236 /nfs/dbraw/zinc/66/12/36/601661236.db2.gz HXMMURYXWFMFHG-BLVKFPJESA-N 0 1 378.494 2.622 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3)C2)cc(OC)c1 ZINC000831996184 601691058 /nfs/dbraw/zinc/69/10/58/601691058.db2.gz SQIRPSZNEWNVJJ-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3)C2)cc(OC)c1 ZINC000831996184 601691060 /nfs/dbraw/zinc/69/10/60/601691060.db2.gz SQIRPSZNEWNVJJ-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000832849703 601729471 /nfs/dbraw/zinc/72/94/71/601729471.db2.gz OZJILGSIDLVMHL-QFIPXVFZSA-N 0 1 398.507 2.796 20 0 GFADMN C[C@@H](Oc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827895799 601732463 /nfs/dbraw/zinc/73/24/63/601732463.db2.gz MRYSKAIHARJVKZ-VGOFRKELSA-N 0 1 382.460 2.690 20 0 GFADMN Cc1ccc2oc(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cc2n1 ZINC000832959843 601732793 /nfs/dbraw/zinc/73/27/93/601732793.db2.gz IUASWHLRLOWLMP-JOCHJYFZSA-N 0 1 393.443 2.985 20 0 GFADMN O=C([O-])CCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000833224565 601788785 /nfs/dbraw/zinc/78/87/85/601788785.db2.gz ZWVUABANSBEAPF-HNNXBMFYSA-N 0 1 382.819 2.688 20 0 GFADMN O=C([O-])CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000659397277 601826874 /nfs/dbraw/zinc/82/68/74/601826874.db2.gz YFEFMODBVVWOTK-FQEVSTJZSA-N 0 1 387.524 2.837 20 0 GFADMN C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C2(CCCCC2)C1 ZINC000830960692 601843211 /nfs/dbraw/zinc/84/32/11/601843211.db2.gz XTNTZGATJILSHY-UHFFFAOYSA-N 0 1 386.901 2.677 20 0 GFADMN C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C2(CCCCC2)C1 ZINC000830960692 601843212 /nfs/dbraw/zinc/84/32/12/601843212.db2.gz XTNTZGATJILSHY-UHFFFAOYSA-N 0 1 386.901 2.677 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)C2=O)c1 ZINC000833330202 601880654 /nfs/dbraw/zinc/88/06/54/601880654.db2.gz NAJIOEMZLBXLKQ-KRWDZBQOSA-N 0 1 393.443 2.676 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)C2=O)c1 ZINC000833330202 601880655 /nfs/dbraw/zinc/88/06/55/601880655.db2.gz NAJIOEMZLBXLKQ-KRWDZBQOSA-N 0 1 393.443 2.676 20 0 GFADMN COc1ccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)cc1Cl ZINC000826210028 607532698 /nfs/dbraw/zinc/53/26/98/607532698.db2.gz BCXOYPGLRFUXML-UHFFFAOYSA-N 0 1 379.829 2.638 20 0 GFADMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-] ZINC000740236146 601913663 /nfs/dbraw/zinc/91/36/63/601913663.db2.gz KQCVKORTSJSGFU-HXUWFJFHSA-N 0 1 390.443 2.902 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000833222329 601925333 /nfs/dbraw/zinc/92/53/33/601925333.db2.gz VTJFWUSVSDLESB-ZDUSSCGKSA-N 0 1 387.299 2.670 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515461 601925793 /nfs/dbraw/zinc/92/57/93/601925793.db2.gz IIFVOFDHWWNCBT-QZTJIDSGSA-N 0 1 398.500 2.986 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000740515461 601925796 /nfs/dbraw/zinc/92/57/96/601925796.db2.gz IIFVOFDHWWNCBT-QZTJIDSGSA-N 0 1 398.500 2.986 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)CC1 ZINC000740364503 601932112 /nfs/dbraw/zinc/93/21/12/601932112.db2.gz GYPWZIWSGRVREI-UHFFFAOYSA-N 0 1 386.496 2.832 20 0 GFADMN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(C)c3-c3nn[nH]n3)cc2)co1 ZINC000826322388 607535157 /nfs/dbraw/zinc/53/51/57/607535157.db2.gz KITJXDSAZLIABV-UHFFFAOYSA-N 0 1 396.432 2.939 20 0 GFADMN CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000829919151 602058037 /nfs/dbraw/zinc/05/80/37/602058037.db2.gz WSIHNLPWIUSJJO-DLBZAZTESA-N 0 1 375.469 2.672 20 0 GFADMN C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263267452 602070488 /nfs/dbraw/zinc/07/04/88/602070488.db2.gz REPDPCHNCCAQFF-YJBOKZPZSA-N 0 1 399.413 2.786 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739112968 602080374 /nfs/dbraw/zinc/08/03/74/602080374.db2.gz UNJIEVVQHMVDLI-SJORKVTESA-N 0 1 388.512 2.718 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCCC[C@H]1C ZINC000739105465 602085893 /nfs/dbraw/zinc/08/58/93/602085893.db2.gz KEEZNYFMBHVPQP-TVFCKZIOSA-N 0 1 380.533 2.813 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000739234827 602145812 /nfs/dbraw/zinc/14/58/12/602145812.db2.gz LRENMCCOBLRASZ-LRDDRELGSA-N 0 1 382.892 2.713 20 0 GFADMN C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738983846 602182978 /nfs/dbraw/zinc/18/29/78/602182978.db2.gz LWHHLSGSDQQSDW-HKUYNNGSSA-N 0 1 388.512 2.682 20 0 GFADMN CCN(C(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000829601892 602279394 /nfs/dbraw/zinc/27/93/94/602279394.db2.gz CXNYGIKBLJPZTO-NVXWUHKLSA-N 0 1 385.468 2.657 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c(OC)c1 ZINC000832272916 602331321 /nfs/dbraw/zinc/33/13/21/602331321.db2.gz LSXNWYBEFSSLQS-SFHVURJKSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c(OC)c1 ZINC000832272916 602331324 /nfs/dbraw/zinc/33/13/24/602331324.db2.gz LSXNWYBEFSSLQS-SFHVURJKSA-N 0 1 390.480 2.697 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000828718947 602345957 /nfs/dbraw/zinc/34/59/57/602345957.db2.gz OKOUSHFRPFVLLV-GGXPGOJBSA-N 0 1 380.485 2.563 20 0 GFADMN C[C@@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000739103605 602396611 /nfs/dbraw/zinc/39/66/11/602396611.db2.gz JMNZZSDGXMYTEH-MSOLQXFVSA-N 0 1 387.524 2.935 20 0 GFADMN CN(C[C@H]1CCC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739635812 602398473 /nfs/dbraw/zinc/39/84/73/602398473.db2.gz HLIDOYPFSBMWRQ-CYBMUJFWSA-N 0 1 376.482 2.581 20 0 GFADMN CN(C[C@H]1CCC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739635812 602398475 /nfs/dbraw/zinc/39/84/75/602398475.db2.gz HLIDOYPFSBMWRQ-CYBMUJFWSA-N 0 1 376.482 2.581 20 0 GFADMN CN(CC1CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1)C(=O)[O-] ZINC000739665878 602407992 /nfs/dbraw/zinc/40/79/92/602407992.db2.gz NJVKJPBJXBIOAA-UHFFFAOYSA-N 0 1 381.274 2.919 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCN(C(=O)[O-])C(C)C)cc1F ZINC000740235416 602419054 /nfs/dbraw/zinc/41/90/54/602419054.db2.gz FHTJGXHLEXSIFP-UHFFFAOYSA-N 0 1 391.447 2.898 20 0 GFADMN Cc1ccc(SCCNC(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000740152868 602448270 /nfs/dbraw/zinc/44/82/70/602448270.db2.gz OLQIGNODNJLHPC-OAHLLOKOSA-N 0 1 379.526 2.571 20 0 GFADMN C[C@H](c1ccc(NC(=O)C2(NC(=O)[O-])CCCCC2)cc1)[NH+]1CCOCC1 ZINC000739059715 602497410 /nfs/dbraw/zinc/49/74/10/602497410.db2.gz UVXZLKXUVVUAFJ-OAHLLOKOSA-N 0 1 375.469 2.989 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1)C(=O)[O-] ZINC000739663167 602529102 /nfs/dbraw/zinc/52/91/02/602529102.db2.gz BKFJFDPYNIUXKO-LBPRGKRZSA-N 0 1 384.274 2.709 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738636720 602531618 /nfs/dbraw/zinc/53/16/18/602531618.db2.gz FYTBMQNUSKCIQD-QWRGUYRKSA-N 0 1 380.445 2.694 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738636720 602531621 /nfs/dbraw/zinc/53/16/21/602531621.db2.gz FYTBMQNUSKCIQD-QWRGUYRKSA-N 0 1 380.445 2.694 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1)C(=O)[O-] ZINC000739664320 602537468 /nfs/dbraw/zinc/53/74/68/602537468.db2.gz DSKWQDJSLSYFMG-NSHDSACASA-N 0 1 395.257 2.931 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1)C(=O)[O-] ZINC000739664320 602537469 /nfs/dbraw/zinc/53/74/69/602537469.db2.gz DSKWQDJSLSYFMG-NSHDSACASA-N 0 1 395.257 2.931 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000739592375 602540032 /nfs/dbraw/zinc/54/00/32/602540032.db2.gz FADGIURPROVYTG-GOSISDBHSA-N 0 1 381.432 2.546 20 0 GFADMN C[C@@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)[N@@H+]1CCc2sccc2C1 ZINC000739001506 602542219 /nfs/dbraw/zinc/54/22/19/602542219.db2.gz FEMBOJPJIWHBHZ-KBPBESRZSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)[N@H+]1CCc2sccc2C1 ZINC000739001506 602542221 /nfs/dbraw/zinc/54/22/21/602542221.db2.gz FEMBOJPJIWHBHZ-KBPBESRZSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)[N@@H+]1CCc2sccc2C1 ZINC000739001509 602542498 /nfs/dbraw/zinc/54/24/98/602542498.db2.gz FEMBOJPJIWHBHZ-ZIAGYGMSSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)[N@H+]1CCc2sccc2C1 ZINC000739001509 602542500 /nfs/dbraw/zinc/54/25/00/602542500.db2.gz FEMBOJPJIWHBHZ-ZIAGYGMSSA-N 0 1 394.541 2.572 20 0 GFADMN COc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(Br)c1OC ZINC000739901862 602542560 /nfs/dbraw/zinc/54/25/60/602542560.db2.gz AVARSQLUJRDRHE-LLVKDONJSA-N 0 1 387.274 2.898 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccccc1Cl ZINC000739608175 602563233 /nfs/dbraw/zinc/56/32/33/602563233.db2.gz MTBFOERCRQJAOC-QZTJIDSGSA-N 0 1 389.883 2.938 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000740433392 602569944 /nfs/dbraw/zinc/56/99/44/602569944.db2.gz POWGLCHEXIODFD-WOJBJXKFSA-N 0 1 381.476 2.745 20 0 GFADMN CCC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359959 602578650 /nfs/dbraw/zinc/57/86/50/602578650.db2.gz QVKAZZCXUUTAHA-CYBMUJFWSA-N 0 1 390.440 2.718 20 0 GFADMN CCC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359959 602578651 /nfs/dbraw/zinc/57/86/51/602578651.db2.gz QVKAZZCXUUTAHA-CYBMUJFWSA-N 0 1 390.440 2.718 20 0 GFADMN C[C@H](C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738618599 602588788 /nfs/dbraw/zinc/58/87/88/602588788.db2.gz UQUDXRDYJDWOKD-OXQOHEQNSA-N 0 1 385.508 2.814 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000740673687 602593443 /nfs/dbraw/zinc/59/34/43/602593443.db2.gz DZKYGYMZTRXNBA-LJQANCHMSA-N 0 1 383.448 2.591 20 0 GFADMN C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C[C@H](C)O1 ZINC000739178964 602605789 /nfs/dbraw/zinc/60/57/89/602605789.db2.gz ABXKCGGOAXXEJB-GASCZTMLSA-N 0 1 390.484 2.738 20 0 GFADMN C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738988654 602626835 /nfs/dbraw/zinc/62/68/35/602626835.db2.gz SLZBPAINCGFGQJ-ZIFCJYIRSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738988654 602626836 /nfs/dbraw/zinc/62/68/36/602626836.db2.gz SLZBPAINCGFGQJ-ZIFCJYIRSA-N 0 1 388.512 2.681 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)c(NC(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000740079606 602685723 /nfs/dbraw/zinc/68/57/23/602685723.db2.gz JNDAFJABAFCYDF-CQSZACIVSA-N 0 1 387.415 2.721 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1F ZINC000740235482 602707610 /nfs/dbraw/zinc/70/76/10/602707610.db2.gz FYAFJVBRKBZFLR-CQSZACIVSA-N 0 1 389.431 2.509 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738859868 602761430 /nfs/dbraw/zinc/76/14/30/602761430.db2.gz IHYBMTAPDOCKJX-GRDNDAEWSA-N 0 1 391.468 2.557 20 0 GFADMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738859868 602761432 /nfs/dbraw/zinc/76/14/32/602761432.db2.gz IHYBMTAPDOCKJX-GRDNDAEWSA-N 0 1 391.468 2.557 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179719 602788217 /nfs/dbraw/zinc/78/82/17/602788217.db2.gz WZKUWJNWIIOEKH-UHIISALHSA-N 0 1 389.374 2.890 20 0 GFADMN 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DVAKMOSSWSUJFQ-FUHIMQAGSA-N 0 1 375.513 2.775 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000832333516 603418164 /nfs/dbraw/zinc/41/81/64/603418164.db2.gz SDOXTLPOBXYSFU-IAGOWNOFSA-N 0 1 386.452 2.863 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)ccc21 ZINC000832635882 603508496 /nfs/dbraw/zinc/50/84/96/603508496.db2.gz GZUOJCTXLMSHER-SFHVURJKSA-N 0 1 384.480 2.609 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)ccc21 ZINC000832635882 603508500 /nfs/dbraw/zinc/50/85/00/603508500.db2.gz GZUOJCTXLMSHER-SFHVURJKSA-N 0 1 384.480 2.609 20 0 GFADMN CCN(CC1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1)C(=O)[O-] ZINC000827088890 603539114 /nfs/dbraw/zinc/53/91/14/603539114.db2.gz BFIPVYLNNLGJDA-AWEZNQCLSA-N 0 1 393.484 2.701 20 0 GFADMN C[C@H](c1ccc(NC(=O)N(C)CC(C)(C)CNC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825630251 603552956 /nfs/dbraw/zinc/55/29/56/603552956.db2.gz PCWAQNFZAOODGW-OAHLLOKOSA-N 0 1 392.500 2.837 20 0 GFADMN 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ZINC000831793560 603946988 /nfs/dbraw/zinc/94/69/88/603946988.db2.gz NNBARBNLQSTQDD-INIZCTEOSA-N 0 1 380.448 2.973 20 0 GFADMN CN(C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1)C(=O)[O-] ZINC000828259978 603997876 /nfs/dbraw/zinc/99/78/76/603997876.db2.gz PDZKJOBHCDQNFG-OAHLLOKOSA-N 0 1 382.526 2.690 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1)C(=O)[O-] ZINC000828259978 603997878 /nfs/dbraw/zinc/99/78/78/603997878.db2.gz PDZKJOBHCDQNFG-OAHLLOKOSA-N 0 1 382.526 2.690 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000825951075 603999551 /nfs/dbraw/zinc/99/95/51/603999551.db2.gz QRGLNSGSPICGQX-HNNXBMFYSA-N 0 1 387.484 2.669 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826088322 604047799 /nfs/dbraw/zinc/04/77/99/604047799.db2.gz WRGGENFJEWAESE-SEVLPDGMSA-N 0 1 384.476 2.688 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826088322 604047804 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O=C([O-])N(CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000834068788 605760133 /nfs/dbraw/zinc/76/01/33/605760133.db2.gz MNRIOYMUFYRWGO-UHFFFAOYSA-N 0 1 385.508 2.891 20 0 GFADMN O=C([O-])Nc1cccc(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000834266108 605766570 /nfs/dbraw/zinc/76/65/70/605766570.db2.gz CNPCZGZWBFXRCQ-LJQANCHMSA-N 0 1 381.476 3.000 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000833614598 605889235 /nfs/dbraw/zinc/88/92/35/605889235.db2.gz QETXIOQNUHHUTQ-GJZGRUSLSA-N 0 1 389.496 2.683 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000832239599 605905971 /nfs/dbraw/zinc/90/59/71/605905971.db2.gz LUOQBIWFZFKRLM-CCNLRDMRSA-N 0 1 375.444 2.752 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000832239599 605905974 /nfs/dbraw/zinc/90/59/74/605905974.db2.gz LUOQBIWFZFKRLM-CCNLRDMRSA-N 0 1 375.444 2.752 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833830625 605907130 /nfs/dbraw/zinc/90/71/30/605907130.db2.gz KVESCOFSSQMVKI-WOPDTQHZSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])N1CCCc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c21 ZINC000834117201 606038468 /nfs/dbraw/zinc/03/84/68/606038468.db2.gz WFRDVBHEQQPXRT-IBGZPJMESA-N 0 1 382.460 2.915 20 0 GFADMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418267 606299239 /nfs/dbraw/zinc/29/92/39/606299239.db2.gz YIYMDVXNKQVNMI-WBMJQRKESA-N 0 1 398.492 2.783 20 0 GFADMN CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939921 606336896 /nfs/dbraw/zinc/33/68/96/606336896.db2.gz LNVNQYJDPKUKCC-KRWDZBQOSA-N 0 1 378.502 2.711 20 0 GFADMN CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939921 606336899 /nfs/dbraw/zinc/33/68/99/606336899.db2.gz LNVNQYJDPKUKCC-KRWDZBQOSA-N 0 1 378.502 2.711 20 0 GFADMN O=C(c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)N1CCCCC1 ZINC000823487546 606406527 /nfs/dbraw/zinc/40/65/27/606406527.db2.gz DXFQWTVRVZTCQY-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN O=C(c1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)N1CCCCC1 ZINC000823487546 606406529 /nfs/dbraw/zinc/40/65/29/606406529.db2.gz DXFQWTVRVZTCQY-UHFFFAOYSA-N 0 1 382.493 2.844 20 0 GFADMN FC(F)(F)c1ccc(NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nc1 ZINC000822728914 606409784 /nfs/dbraw/zinc/40/97/84/606409784.db2.gz MWCNMSLPLWPRMD-UHFFFAOYSA-N 0 1 383.403 2.934 20 0 GFADMN FC(F)(F)c1ccc(NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000822728914 606409786 /nfs/dbraw/zinc/40/97/86/606409786.db2.gz MWCNMSLPLWPRMD-UHFFFAOYSA-N 0 1 383.403 2.934 20 0 GFADMN CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000821180765 606524844 /nfs/dbraw/zinc/52/48/44/606524844.db2.gz HBMFAJBVEOIDEN-OAHLLOKOSA-N 0 1 384.509 2.611 20 0 GFADMN CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000821180765 606524845 /nfs/dbraw/zinc/52/48/45/606524845.db2.gz HBMFAJBVEOIDEN-OAHLLOKOSA-N 0 1 384.509 2.611 20 0 GFADMN C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N1[C@H](C)CC[C@H]1C ZINC000820683451 606560322 /nfs/dbraw/zinc/56/03/22/606560322.db2.gz BHTFXBMRHKEATJ-IJLUTSLNSA-N 0 1 395.410 2.773 20 0 GFADMN C[C@H]1CC/C(=C/C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678218 606617302 /nfs/dbraw/zinc/61/73/02/606617302.db2.gz TZFYIEDMQHHEDV-IYWFSZBXSA-N 0 1 380.496 2.647 20 0 GFADMN COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821723631 606635288 /nfs/dbraw/zinc/63/52/88/606635288.db2.gz GQCLRGMGXRFFGR-UHFFFAOYSA-N 0 1 375.454 2.504 20 0 GFADMN COc1cc(OC)cc(OCCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821723631 606635289 /nfs/dbraw/zinc/63/52/89/606635289.db2.gz GQCLRGMGXRFFGR-UHFFFAOYSA-N 0 1 375.454 2.504 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cnc1Cl ZINC000822209631 606638292 /nfs/dbraw/zinc/63/82/92/606638292.db2.gz QDIWYGFIWZYLNZ-UHFFFAOYSA-N 0 1 385.236 2.678 20 0 GFADMN CC(C)[C@H](NCc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc2ccccc2[nH]1 ZINC000820025693 606638998 /nfs/dbraw/zinc/63/89/98/606638998.db2.gz CBGYNJIHUQEFEP-SFHVURJKSA-N 0 1 387.451 2.878 20 0 GFADMN Cc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1F ZINC000822229261 606716854 /nfs/dbraw/zinc/71/68/54/606716854.db2.gz QESGHZCPKATQFB-NHYWBVRUSA-N 0 1 386.456 2.832 20 0 GFADMN CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821061022 606743424 /nfs/dbraw/zinc/74/34/24/606743424.db2.gz KGIQHHYHVQTXCX-UHFFFAOYSA-N 0 1 393.495 2.814 20 0 GFADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821061022 606743426 /nfs/dbraw/zinc/74/34/26/606743426.db2.gz KGIQHHYHVQTXCX-UHFFFAOYSA-N 0 1 393.495 2.814 20 0 GFADMN CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821061022 606743428 /nfs/dbraw/zinc/74/34/28/606743428.db2.gz KGIQHHYHVQTXCX-UHFFFAOYSA-N 0 1 393.495 2.814 20 0 GFADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821061022 606743430 /nfs/dbraw/zinc/74/34/30/606743430.db2.gz KGIQHHYHVQTXCX-UHFFFAOYSA-N 0 1 393.495 2.814 20 0 GFADMN COC(=O)N1CCC([NH2+]Cc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000821665052 606771954 /nfs/dbraw/zinc/77/19/54/606771954.db2.gz SWQHHIMVBVNPND-UHFFFAOYSA-N 0 1 398.492 2.916 20 0 GFADMN C[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H](C)c1ccccc1 ZINC000820438257 606893042 /nfs/dbraw/zinc/89/30/42/606893042.db2.gz LQVMWQSAHXNRJT-WDEREUQCSA-N 0 1 393.419 2.615 20 0 GFADMN FC(F)(F)CO[C@@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000822719134 606901662 /nfs/dbraw/zinc/90/16/62/606901662.db2.gz ZUNKVANUBUASPY-OAHLLOKOSA-N 0 1 385.390 2.679 20 0 GFADMN CC=C(C=CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC ZINC000820826980 606987170 /nfs/dbraw/zinc/98/71/70/606987170.db2.gz PMDNEMRLPASPBU-OLDUSFPJSA-N 0 1 380.496 2.814 20 0 GFADMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821571953 607063711 /nfs/dbraw/zinc/06/37/11/607063711.db2.gz MHDINFOKFQZYHM-UHFFFAOYSA-N 0 1 390.463 2.837 20 0 GFADMN CC(C)OC[C@H](O)CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000820142164 607098315 /nfs/dbraw/zinc/09/83/15/607098315.db2.gz IIHXKTCNWVVIKW-HXUWFJFHSA-N 0 1 399.470 2.794 20 0 GFADMN CC(C)C[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245373 607815822 /nfs/dbraw/zinc/81/58/22/607815822.db2.gz YDWFONZNHNKSOH-MRXNPFEDSA-N 0 1 377.514 2.541 20 0 GFADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826451832 607999915 /nfs/dbraw/zinc/99/99/15/607999915.db2.gz YESBYPUMGQUOAV-UHFFFAOYSA-N 0 1 383.593 2.569 20 0 GFADMN C[C@@H](c1cccc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824769754 608035426 /nfs/dbraw/zinc/03/54/26/608035426.db2.gz ARDLUBMQOHUYHQ-ZDUSSCGKSA-N 0 1 376.468 2.951 20 0 GFADMN C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824769754 608035427 /nfs/dbraw/zinc/03/54/27/608035427.db2.gz ARDLUBMQOHUYHQ-ZDUSSCGKSA-N 0 1 376.468 2.951 20 0 GFADMN C[C@@H](c1cccc2ccccc21)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824769754 608035428 /nfs/dbraw/zinc/03/54/28/608035428.db2.gz ARDLUBMQOHUYHQ-ZDUSSCGKSA-N 0 1 376.468 2.951 20 0 GFADMN C[C@@H](c1cccc2ccccc21)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824769754 608035429 /nfs/dbraw/zinc/03/54/29/608035429.db2.gz ARDLUBMQOHUYHQ-ZDUSSCGKSA-N 0 1 376.468 2.951 20 0 GFADMN Fc1ccc(Br)c(CNCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826373550 608055074 /nfs/dbraw/zinc/05/50/74/608055074.db2.gz QJGDYXBTEOBGIZ-UHFFFAOYSA-N 0 1 392.232 2.937 20 0 GFADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187742 608064630 /nfs/dbraw/zinc/06/46/30/608064630.db2.gz DAULWRPESXREQB-TZIWHRDSSA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187742 608064631 /nfs/dbraw/zinc/06/46/31/608064631.db2.gz DAULWRPESXREQB-TZIWHRDSSA-N 0 1 397.454 2.887 20 0 GFADMN Cc1oc(NC(=O)CN2CC[C@H](c3ccc(C)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000826285648 608127763 /nfs/dbraw/zinc/12/77/63/608127763.db2.gz FWGAZRNNTUUMMM-INIZCTEOSA-N 0 1 380.452 2.813 20 0 GFADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523175 608243423 /nfs/dbraw/zinc/24/34/23/608243423.db2.gz DDWYEAFUGZGNOJ-UHFFFAOYSA-N 0 1 387.451 2.533 20 0 GFADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523175 608243425 /nfs/dbraw/zinc/24/34/25/608243425.db2.gz DDWYEAFUGZGNOJ-UHFFFAOYSA-N 0 1 387.451 2.533 20 0 GFADMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCOC2=O)cc1 ZINC000824604889 608283788 /nfs/dbraw/zinc/28/37/88/608283788.db2.gz FDQYBIYPEAZUHQ-LBPRGKRZSA-N 0 1 382.399 2.813 20 0 GFADMN O[C@H](CN1CC(c2nc3ccccc3s2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502321 608321483 /nfs/dbraw/zinc/32/14/83/608321483.db2.gz AVVBZAVBUPRJKS-MRXNPFEDSA-N 0 1 378.461 2.609 20 0 GFADMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824324850 608437943 /nfs/dbraw/zinc/43/79/43/608437943.db2.gz WSZVAEMHALNZCG-CQSZACIVSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563426 608488378 /nfs/dbraw/zinc/48/83/78/608488378.db2.gz OEJFMOBFUHTDIW-NSHDSACASA-N 0 1 395.448 2.873 20 0 GFADMN COc1ccc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1Cl ZINC000826209952 608529461 /nfs/dbraw/zinc/52/94/61/608529461.db2.gz XRKDABXPBXHRPM-UHFFFAOYSA-N 0 1 398.854 2.746 20 0 GFADMN CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011133 608568969 /nfs/dbraw/zinc/56/89/69/608568969.db2.gz YOGLUHYVBLFCII-CZUORRHYSA-N 0 1 388.884 2.643 20 0 GFADMN CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000826011133 608568970 /nfs/dbraw/zinc/56/89/70/608568970.db2.gz YOGLUHYVBLFCII-CZUORRHYSA-N 0 1 388.884 2.643 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccccc2Cl)cc1-c1nn[nH]n1 ZINC000826229403 608576803 /nfs/dbraw/zinc/57/68/03/608576803.db2.gz CQKOLIHCHVSFSR-QMMMGPOBSA-N 0 1 390.856 2.834 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000826372412 608641102 /nfs/dbraw/zinc/64/11/02/608641102.db2.gz UXPDRYYDJPGLBQ-MRXNPFEDSA-N 0 1 394.454 2.694 20 0 GFADMN COc1ccccc1[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000826219220 608675473 /nfs/dbraw/zinc/67/54/73/608675473.db2.gz WCNGRLPUJPYNHL-KRWDZBQOSA-N 0 1 375.436 2.860 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909451 608681155 /nfs/dbraw/zinc/68/11/55/608681155.db2.gz YOVSAURDKKMCMF-LBPRGKRZSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C(=O)OC(C)(C)C ZINC000825909451 608681158 /nfs/dbraw/zinc/68/11/58/608681158.db2.gz YOVSAURDKKMCMF-LBPRGKRZSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909451 608681161 /nfs/dbraw/zinc/68/11/61/608681161.db2.gz YOVSAURDKKMCMF-LBPRGKRZSA-N 0 1 378.502 2.617 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)C(=O)OC(C)(C)C ZINC000825909451 608681164 /nfs/dbraw/zinc/68/11/64/608681164.db2.gz YOVSAURDKKMCMF-LBPRGKRZSA-N 0 1 378.502 2.617 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)[C@H]1CNC(=O)OC(C)(C)C ZINC000824945482 608701099 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2.670 20 0 GFADMN Cc1ccc2nc(CNCc3cn(C)nc3-c3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000826293509 609342038 /nfs/dbraw/zinc/34/20/38/609342038.db2.gz RMGAIHMSMNINOY-UHFFFAOYSA-N 0 1 399.462 2.742 20 0 GFADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824024340 609350315 /nfs/dbraw/zinc/35/03/15/609350315.db2.gz AOZNBJGQAANMQC-UHFFFAOYSA-N 0 1 381.392 2.571 20 0 GFADMN C[C@H]1C[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@H+]1C ZINC000824883697 609363649 /nfs/dbraw/zinc/36/36/49/609363649.db2.gz IUNPDJPAVAHCGP-FZMZJTMJSA-N 0 1 379.306 2.544 20 0 GFADMN Cc1cc(NCc2cccnc2N2CCN(C)CC2)ncc1Br ZINC000534602694 650778412 /nfs/dbraw/zinc/77/84/12/650778412.db2.gz BRCRXCTTYWAANS-UHFFFAOYSA-N 0 1 376.302 2.911 20 0 GFADMN Cc1cc(Br)cn2cc(CNc3cc(-n4cccn4)nc(N)n3)nc12 ZINC000544700759 650950303 /nfs/dbraw/zinc/95/03/03/650950303.db2.gz ATQLSXBJILTCNA-UHFFFAOYSA-N 0 1 399.256 2.575 20 0 GFADMN Brc1csc([C@H](NC[C@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580563 660201543 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CS(C)(=O)=NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000820801340 660307140 /nfs/dbraw/zinc/30/71/40/660307140.db2.gz IWURHBYTVADRJY-UHFFFAOYSA-N 0 1 384.454 2.635 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000820944150 660310784 /nfs/dbraw/zinc/31/07/84/660310784.db2.gz OPOJLPPRGJSGMQ-CQSZACIVSA-N 0 1 375.296 2.501 20 0 GFADMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(N=S(C)(C)=O)cc1 ZINC000821112063 660316311 /nfs/dbraw/zinc/31/63/11/660316311.db2.gz YRMWLNIQWBQWFI-UHFFFAOYSA-N 0 1 382.463 2.633 20 0 GFADMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC000821128082 660316929 /nfs/dbraw/zinc/31/69/29/660316929.db2.gz QQOKSVPGMFKBDD-UHFFFAOYSA-N 0 1 386.838 2.686 20 0 GFADMN CCn1ncc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1Br ZINC000821441955 660326175 /nfs/dbraw/zinc/32/61/75/660326175.db2.gz HDFBYZKTPKWPMQ-NSHDSACASA-N 0 1 393.289 2.681 20 0 GFADMN C[C@H](C(=O)NC(C)(C)c1c[nH]nn1)c1ccc(I)cc1 ZINC000822353951 660343596 /nfs/dbraw/zinc/34/35/96/660343596.db2.gz 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660398488 /nfs/dbraw/zinc/39/84/88/660398488.db2.gz CRPGZSPKPPPQPX-UHFFFAOYSA-N 0 1 379.258 2.676 20 0 GFADMN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Br)[nH]n2)cc1 ZINC000825259159 660417496 /nfs/dbraw/zinc/41/74/96/660417496.db2.gz HBUTUTMNAVEQIU-LBPRGKRZSA-N 0 1 395.282 2.634 20 0 GFADMN C[C@](N)(C(=O)NC[C@@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993631 660447238 /nfs/dbraw/zinc/44/72/38/660447238.db2.gz ARBBLTWABXXFCZ-BFUOFWGJSA-N 0 1 389.293 2.991 20 0 GFADMN O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCN(CC2CCOCC2)CC1 ZINC000826080013 660449448 /nfs/dbraw/zinc/44/94/48/660449448.db2.gz FPJOYDHASYVIDY-QGZVFWFLSA-N 0 1 387.307 2.598 20 0 GFADMN CCc1cc(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)n[nH]1 ZINC000827426635 660494776 /nfs/dbraw/zinc/49/47/76/660494776.db2.gz XHBJIBYCDOIXMX-CABCVRRESA-N 0 1 379.258 2.524 20 0 GFADMN CN(C)Cc1ccc(C(=O)N[C@H]2COc3cccc(Br)c3C2)cn1 ZINC000828027151 660527063 /nfs/dbraw/zinc/52/70/63/660527063.db2.gz NHZFEMMJWPIUKD-CQSZACIVSA-N 0 1 390.281 2.639 20 0 GFADMN OCCCN1CCC[C@H]1CNc1cc(Br)cnc1Br ZINC000828420013 660547509 /nfs/dbraw/zinc/54/75/09/660547509.db2.gz AAPBOFUSBMSKEI-NSHDSACASA-N 0 1 393.123 2.865 20 0 GFADMN O=C(CCCCc1cn[nH]n1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000828729486 660565774 /nfs/dbraw/zinc/56/57/74/660565774.db2.gz VWFKYBRLMMZNEE-HYVNUMGLSA-N 0 1 375.270 2.735 20 0 GFADMN Cc1ccc(Br)cc1CC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829227902 660585922 /nfs/dbraw/zinc/58/59/22/660585922.db2.gz GIZFHCVCAHMYDY-UHFFFAOYSA-N 0 1 395.341 2.871 20 0 GFADMN Cc1ccc(C(=O)N(C)CCN2CC3(C2)CCOCC3)c(Br)c1 ZINC000829257576 660586997 /nfs/dbraw/zinc/58/69/97/660586997.db2.gz MINAXOMUOBBGKD-UHFFFAOYSA-N 0 1 381.314 2.942 20 0 GFADMN CCc1nc(COC(=O)c2cc(Br)ncc2Br)n[nH]1 ZINC000869848780 662664536 /nfs/dbraw/zinc/66/45/36/662664536.db2.gz PCDRLTLYDYHNCS-UHFFFAOYSA-N 0 1 390.035 2.644 20 0 GFADMN CCCC(=O)Nc1ccc(OS(=O)(=O)c2c[nH]nc2Cl)c(C(C)=O)c1 ZINC000829724524 660609851 /nfs/dbraw/zinc/60/98/51/660609851.db2.gz OXXOUELRWSFKQH-UHFFFAOYSA-N 0 1 385.829 2.772 20 0 GFADMN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000829805845 660614869 /nfs/dbraw/zinc/61/48/69/660614869.db2.gz WGSXHJQQZLRRNL-WMZOPIPTSA-N 0 1 389.297 2.915 20 0 GFADMN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)Cc2sccc2Br)C1 ZINC000830795796 660680090 /nfs/dbraw/zinc/68/00/90/660680090.db2.gz PUCPFDQUZMTMLU-GFCCVEGCSA-N 0 1 399.232 2.723 20 0 GFADMN CN1CC(C(=O)N(Cc2cccc(Br)c2)C2CCOCC2)=NC1=O ZINC000832801237 660800912 /nfs/dbraw/zinc/80/09/12/660800912.db2.gz BIGPWRAVMUYNPM-UHFFFAOYSA-N 0 1 394.269 2.710 20 0 GFADMN Cc1cccc(CC2(O)CCN(C(=O)c3cc(Br)[nH]n3)CC2)c1 ZINC000834820004 660834101 /nfs/dbraw/zinc/83/41/01/660834101.db2.gz XNKHVJUVFJFNOO-UHFFFAOYSA-N 0 1 378.270 2.690 20 0 GFADMN C[C@@]1(CCNC(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1(Cl)Cl ZINC000836624643 660922503 /nfs/dbraw/zinc/92/25/03/660922503.db2.gz SCUONIUGOHBOEQ-GDBMZVCRSA-N 0 1 378.344 2.714 20 0 GFADMN O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(Br)s1 ZINC000010600972 654492954 /nfs/dbraw/zinc/49/29/54/654492954.db2.gz QYKTYTTXVMDSCD-UHFFFAOYSA-N 0 1 375.631 2.944 20 0 GFADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836916057 660956026 /nfs/dbraw/zinc/95/60/26/660956026.db2.gz SSNNKJWECFVJDZ-HWPZZCPQSA-N 0 1 383.279 2.771 20 0 GFADMN C[C@]1(CCNC(=O)CCN2CCN(c3ccccn3)CC2)CC1(Cl)Cl ZINC000836919508 660957320 /nfs/dbraw/zinc/95/73/20/660957320.db2.gz PDWAQRRPXYFUGZ-KRWDZBQOSA-N 0 1 385.339 2.684 20 0 GFADMN NC(=O)COc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000024430998 654544194 /nfs/dbraw/zinc/54/41/94/654544194.db2.gz ATMVDZYNMVZRTL-UHFFFAOYSA-N 0 1 375.233 2.658 20 0 GFADMN Cc1nc2cc(NC(=O)CSc3n[nH]c(=S)s3)ccc2n1[C@H](C)CO ZINC000837052705 660968073 /nfs/dbraw/zinc/96/80/73/660968073.db2.gz DUIKHKYGNQJMIV-MRVPVSSYSA-N 0 1 395.535 2.769 20 0 GFADMN CC(C)(CNC(=O)CSc1nc2ccc(Cl)cc2[nH]1)N1CCOCC1 ZINC000029964665 654581088 /nfs/dbraw/zinc/58/10/88/654581088.db2.gz YZNCPGPBPPWXKH-UHFFFAOYSA-N 0 1 382.917 2.535 20 0 GFADMN O=C(NCCC[C@H]1CCOC1)c1cccc(I)c1O ZINC000837068643 660970074 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/nfs/dbraw/zinc/87/83/13/654878313.db2.gz MQGSHZRWQVYQCT-UHFFFAOYSA-N 0 1 393.329 2.728 20 0 GFADMN CN(C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)C1 ZINC000130168916 654882174 /nfs/dbraw/zinc/88/21/74/654882174.db2.gz QHWPPPLPOSMVBH-CQSZACIVSA-N 0 1 378.519 2.747 20 0 GFADMN CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000266716860 654890903 /nfs/dbraw/zinc/89/09/03/654890903.db2.gz GNMLWZSJKRFRFV-UHFFFAOYSA-N 0 1 380.491 2.510 20 0 GFADMN CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000065972510 654891961 /nfs/dbraw/zinc/89/19/61/654891961.db2.gz UFJCIBGAVYMFIH-UHFFFAOYSA-N 0 1 389.855 2.766 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000130867611 654892499 /nfs/dbraw/zinc/89/24/99/654892499.db2.gz NONZGHJXUCJKOX-CQSZACIVSA-N 0 1 398.301 2.987 20 0 GFADMN COc1ccc(-c2n[nH]c(SCCn3c(C)csc3=O)n2)c(OC)c1 ZINC000066006062 654892921 /nfs/dbraw/zinc/89/29/21/654892921.db2.gz SLQASVODLLRHGO-UHFFFAOYSA-N 0 1 378.479 2.813 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000266961100 654900839 /nfs/dbraw/zinc/90/08/39/654900839.db2.gz HWIQICIWNOAUGJ-CQSZACIVSA-N 0 1 381.548 2.891 20 0 GFADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000266967502 654901100 /nfs/dbraw/zinc/90/11/00/654901100.db2.gz PVYLOGJLIRFRRV-CQSZACIVSA-N 0 1 397.313 2.540 20 0 GFADMN CCOc1cc2c(cc1CNC(=O)CSc1n[nH]c(=S)s1)O[C@H](C)C2 ZINC000266969995 654901520 /nfs/dbraw/zinc/90/15/20/654901520.db2.gz ROKGJKKWKZWOHP-SECBINFHSA-N 0 1 397.547 2.957 20 0 GFADMN Cc1cccc(NC(=O)CN(C)C(=O)CSc2n[nH]c(=S)s2)c1C ZINC000266989562 654903040 /nfs/dbraw/zinc/90/30/40/654903040.db2.gz UUMMYPHSDOJFPN-UHFFFAOYSA-N 0 1 382.536 2.633 20 0 GFADMN CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000266995581 654903626 /nfs/dbraw/zinc/90/36/26/654903626.db2.gz WTXDMXBYVRWLPC-LBPRGKRZSA-N 0 1 378.523 2.841 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NC1(C(=O)OCc2ccccc2)CCC1 ZINC000838152391 661030970 /nfs/dbraw/zinc/03/09/70/661030970.db2.gz 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654975674 /nfs/dbraw/zinc/97/56/74/654975674.db2.gz UUVBTTLXLXRNDE-SNVBAGLBSA-N 0 1 393.245 2.898 20 0 GFADMN CN(Cc1cc(Br)ccc1F)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000069518800 654982798 /nfs/dbraw/zinc/98/27/98/654982798.db2.gz FIYCCHXUZVWTQP-CABCVRRESA-N 0 1 376.266 2.577 20 0 GFADMN CC(C)C(=O)N1CCCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000069609047 654984055 /nfs/dbraw/zinc/98/40/55/654984055.db2.gz JITOMXNFEBQCNT-CQSZACIVSA-N 0 1 389.323 2.923 20 0 GFADMN C[C@H](NCCNC(=O)c1ccco1)c1ccccc1I ZINC000268756724 654985711 /nfs/dbraw/zinc/98/57/11/654985711.db2.gz LYGAGKPDNFHYJR-NSHDSACASA-N 0 1 384.217 2.965 20 0 GFADMN Cc1ccc(CNC[C@H](O)COc2ccc(I)cc2)nc1 ZINC000134274527 654989000 /nfs/dbraw/zinc/98/90/00/654989000.db2.gz LUNLNAPHQBEPNU-HNNXBMFYSA-N 0 1 398.244 2.524 20 0 GFADMN COC(=O)CCCN(Cc1ccccc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000269111577 654998228 /nfs/dbraw/zinc/99/82/28/654998228.db2.gz JZCXJYJKTVEZMB-UHFFFAOYSA-N 0 1 397.547 2.901 20 0 GFADMN O=S(=O)([N-][C@@H]1CCC[NH2+]C1)c1c(Cl)cc(Br)cc1Cl ZINC000071397286 655000097 /nfs/dbraw/zinc/00/00/97/655000097.db2.gz ZSQBKXIKLFTHFT-MRVPVSSYSA-N 0 1 388.114 2.786 20 0 GFADMN CN1CCN(c2ccc(CNC(=O)c3ccccc3Br)cn2)CC1 ZINC000071823572 655000775 /nfs/dbraw/zinc/00/07/75/655000775.db2.gz OZRXSRIBXOTUKO-UHFFFAOYSA-N 0 1 389.297 2.526 20 0 GFADMN O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000071958237 655001856 /nfs/dbraw/zinc/00/18/56/655001856.db2.gz SBGMKXOCSLVDDX-UHFFFAOYSA-N 0 1 382.873 2.811 20 0 GFADMN C[NH+]1CCC(CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000135101185 655009734 /nfs/dbraw/zinc/00/97/34/655009734.db2.gz IXWCWMNBWRPVDM-UHFFFAOYSA-N 0 1 396.738 2.508 20 0 GFADMN COCCOCCCNCc1ncc(Br)cc1Br ZINC000135280258 655013281 /nfs/dbraw/zinc/01/32/81/655013281.db2.gz JUNXMDBZMUWWRL-UHFFFAOYSA-N 0 1 382.096 2.749 20 0 GFADMN COC(=O)N1CCC(NCc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000269964749 655029297 /nfs/dbraw/zinc/02/92/97/655029297.db2.gz JRJUSNNZKIUBIB-UHFFFAOYSA-N 0 1 384.267 2.895 20 0 GFADMN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000101576306 655044867 /nfs/dbraw/zinc/04/48/67/655044867.db2.gz RKKYFXGZDVTMDU-UHFFFAOYSA-N 0 1 381.361 2.911 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000270499308 655047140 /nfs/dbraw/zinc/04/71/40/655047140.db2.gz KAORXQOJJCGVDG-JQWIXIFHSA-N 0 1 392.175 2.853 20 0 GFADMN CCN(CC)C(=O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916690 655048399 /nfs/dbraw/zinc/04/83/99/655048399.db2.gz QWKCBDJSCFCYLT-UHFFFAOYSA-N 0 1 396.329 2.968 20 0 GFADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)n[nH]1 ZINC000270572028 655049340 /nfs/dbraw/zinc/04/93/40/655049340.db2.gz NJGHHJINEDPCTG-SSDOTTSWSA-N 0 1 379.269 2.722 20 0 GFADMN CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(O)c(Br)c2)n[nH]1 ZINC000270585248 655049680 /nfs/dbraw/zinc/04/96/80/655049680.db2.gz BKAKIMVKQPAYPS-VIFPVBQESA-N 0 1 382.262 2.957 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000270594778 655050063 /nfs/dbraw/zinc/05/00/63/655050063.db2.gz 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655059554 /nfs/dbraw/zinc/05/95/54/655059554.db2.gz DWLUKRGQQKFMPP-UHFFFAOYSA-N 0 1 375.230 2.539 20 0 GFADMN C[C@@H](CN1CCN(CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000271188481 655069543 /nfs/dbraw/zinc/06/95/43/655069543.db2.gz OBSLUCSVVRQKAU-HNNXBMFYSA-N 0 1 382.346 2.649 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1Cl ZINC000105620420 655096389 /nfs/dbraw/zinc/09/63/89/655096389.db2.gz VZTGFZHXGGPESG-LLVKDONJSA-N 0 1 379.309 2.861 20 0 GFADMN CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N(C)C ZINC000106408366 655108405 /nfs/dbraw/zinc/10/84/05/655108405.db2.gz GMBLLFNENUMLQD-INIZCTEOSA-N 0 1 387.933 2.649 20 0 GFADMN Cc1sc2ncnc(SCC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)c2c1C ZINC000272608937 655117230 /nfs/dbraw/zinc/11/72/30/655117230.db2.gz KAOYYXFWNMOFAT-UONOGXRCSA-N 0 1 376.551 2.953 20 0 GFADMN C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br ZINC000107908887 655125931 /nfs/dbraw/zinc/12/59/31/655125931.db2.gz AHFMUTNOVACRSL-UHFFFAOYSA-N 0 1 383.311 2.771 20 0 GFADMN 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1 384.709 2.990 20 0 GFADMN CSCc1n[nH]c(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)n1 ZINC000894605901 663471186 /nfs/dbraw/zinc/47/11/86/663471186.db2.gz FDQFYZCBDJOGFT-UHFFFAOYSA-N 0 1 394.298 2.770 20 0 GFADMN CSCc1nnc(CNC(=O)Cc2c[nH]c3cc(Br)ccc23)[nH]1 ZINC000894605901 663471189 /nfs/dbraw/zinc/47/11/89/663471189.db2.gz FDQFYZCBDJOGFT-UHFFFAOYSA-N 0 1 394.298 2.770 20 0 GFADMN COc1cc(I)c(Cl)cc1CNCc1cnc[nH]1 ZINC000894642810 663474103 /nfs/dbraw/zinc/47/41/03/663474103.db2.gz NTAWDSLSJBVPQJ-UHFFFAOYSA-N 0 1 377.613 2.966 20 0 GFADMN COC(=O)[C@H](CNCc1sc(N2CCOCC2)nc1Cl)CC(C)C ZINC000894790385 663481991 /nfs/dbraw/zinc/48/19/91/663481991.db2.gz ILHPCXRWMJEWDZ-LBPRGKRZSA-N 0 1 375.922 2.558 20 0 GFADMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000894894419 663487395 /nfs/dbraw/zinc/48/73/95/663487395.db2.gz NQGHBOWBLXFNQT-HZPDHXFCSA-N 0 1 391.892 2.857 20 0 GFADMN Cc1nc2cc(NCc3c(Cl)nc(Cl)n3C)ccc2n1C(CO)CO ZINC000894924803 663488644 /nfs/dbraw/zinc/48/86/44/663488644.db2.gz IJSZPVNJEMVNIB-UHFFFAOYSA-N 0 1 384.267 2.523 20 0 GFADMN Cn1nc(Br)nc1CNC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000895225062 663503766 /nfs/dbraw/zinc/50/37/66/663503766.db2.gz GNCQLBUHLMVCPM-NSHDSACASA-N 0 1 384.709 2.847 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1C(=O)NCC1(C)C ZINC000895322185 663508184 /nfs/dbraw/zinc/50/81/84/663508184.db2.gz RGYOCOJKSOLTME-HNNXBMFYSA-N 0 1 377.286 2.557 20 0 GFADMN COc1cc(CN2CC[C@H](c3nccs3)C2)cc(Cl)c1OCC(N)=O ZINC000895583497 663519654 /nfs/dbraw/zinc/51/96/54/663519654.db2.gz LEARURCENAOFEM-LBPRGKRZSA-N 0 1 381.885 2.659 20 0 GFADMN CCO/C=C\[C@](O)(CNCc1ccc2c(c1)sc(=O)n2C)C(F)(F)F ZINC000895713453 663524745 /nfs/dbraw/zinc/52/47/45/663524745.db2.gz LKMAPGNXBKERIH-XHPSBEMXSA-N 0 1 376.400 2.533 20 0 GFADMN CSc1cc(Br)ccc1CN[C@@H]1C(=O)NCC12CCOCC2 ZINC000895772668 663527168 /nfs/dbraw/zinc/52/71/68/663527168.db2.gz UGQAVAQDDCGQCO-CQSZACIVSA-N 0 1 385.327 2.556 20 0 GFADMN C[C@]1([C@@H]2CCCN(Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393614 663554984 /nfs/dbraw/zinc/55/49/84/663554984.db2.gz JJTOEZDEODDMQY-SJKOYZFVSA-N 0 1 393.285 2.807 20 0 GFADMN C[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)[C@H]1CN(C)CCN1C ZINC000896532195 663561421 /nfs/dbraw/zinc/56/14/21/663561421.db2.gz AYSDYUGHYYIRHS-QMTHXVAHSA-N 0 1 380.266 2.836 20 0 GFADMN C[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@@H]1CN(C)CCN1C ZINC000896534166 663562259 /nfs/dbraw/zinc/56/22/59/663562259.db2.gz KSWZSHFSQDNSNZ-MFKMUULPSA-N 0 1 380.266 2.836 20 0 GFADMN Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1Cl ZINC000896540607 663562501 /nfs/dbraw/zinc/56/25/01/663562501.db2.gz GBXGHFJNUUDSEJ-NHYWBVRUSA-N 0 1 388.737 2.775 20 0 GFADMN C[C@@H](NC(=O)c1cc(Cl)cc(F)c1Br)[C@H]1CN(C)CCN1C ZINC000896542956 663562587 /nfs/dbraw/zinc/56/25/87/663562587.db2.gz UUBBFCSYEAFXDN-NOZJJQNGSA-N 0 1 392.700 2.606 20 0 GFADMN Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@@H]3CN(C)CCN3C)oc21 ZINC000896548572 663562885 /nfs/dbraw/zinc/56/28/85/663562885.db2.gz KHRSHJRZCMILTH-DOMZBBRYSA-N 0 1 394.313 2.868 20 0 GFADMN CC[N@@H+](CCC(N)=O)Cc1cc(Br)c([O-])c(Br)c1 ZINC000896710587 663572929 /nfs/dbraw/zinc/57/29/29/663572929.db2.gz RWFMCUVSSHARGN-UHFFFAOYSA-N 0 1 380.080 2.615 20 0 GFADMN Oc1cc(Br)cnc1CN1CCn2nc(C(F)(F)F)cc2C1 ZINC000896937009 663582126 /nfs/dbraw/zinc/58/21/26/663582126.db2.gz JKQVDHAJWWLVDW-UHFFFAOYSA-N 0 1 377.164 2.781 20 0 GFADMN Cc1c(Br)cc(-c2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)c(=O)n1C ZINC000896996940 663585269 /nfs/dbraw/zinc/58/52/69/663585269.db2.gz UQJQSTMPESVQEB-ONGXEEELSA-N 0 1 381.274 2.704 20 0 GFADMN O[C@H]1CCOC2(CCN(Cc3cn4ccc(Br)cc4n3)CC2)C1 ZINC000897257597 663596936 /nfs/dbraw/zinc/59/69/36/663596936.db2.gz AFVVBEOLAOYLLS-HNNXBMFYSA-N 0 1 380.286 2.603 20 0 GFADMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)C1CN([C@H]2CCOC2)C1 ZINC000897808895 663621135 /nfs/dbraw/zinc/62/11/35/663621135.db2.gz QDRXIQHJYWPAQS-JQFCIGGWSA-N 0 1 379.298 2.532 20 0 GFADMN CS(=O)(=O)Cc1n[n-]c(C[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000897885306 663623834 /nfs/dbraw/zinc/62/38/34/663623834.db2.gz GKZYNSLIBKKWAR-DZGCQCFKSA-N 0 1 382.917 2.819 20 0 GFADMN COc1cc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)cc(OC)c1 ZINC000897977479 663627972 /nfs/dbraw/zinc/62/79/72/663627972.db2.gz IBOAOJZZZBNRLB-HNNXBMFYSA-N 0 1 392.253 2.514 20 0 GFADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CCCC(C)(C)O1 ZINC000898049957 663631243 /nfs/dbraw/zinc/63/12/43/663631243.db2.gz NZQYJDGBDXOXNN-KGLIPLIRSA-N 0 1 389.949 2.642 20 0 GFADMN CN(C)C[C@H](NC(=O)C(=O)N(C)CCCF)c1ccc(Cl)c(Cl)c1 ZINC000898142683 663635176 /nfs/dbraw/zinc/63/51/76/663635176.db2.gz UXUPRYAQKXCQFH-AWEZNQCLSA-N 0 1 378.275 2.530 20 0 GFADMN Cc1nc(CNC(=O)N2CCc3c(Br)ccc(Cl)c3C2)n[nH]1 ZINC000898360964 663644337 /nfs/dbraw/zinc/64/43/37/663644337.db2.gz QDUAAYUZHPIIBR-UHFFFAOYSA-N 0 1 384.665 2.797 20 0 GFADMN CN(C)[C@H](CNC(=O)C(=O)NCc1cscc1Cl)c1cccc(F)c1 ZINC000898589372 663657624 /nfs/dbraw/zinc/65/76/24/663657624.db2.gz SDYWTQQRWNCUKP-OAHLLOKOSA-N 0 1 383.876 2.576 20 0 GFADMN O=C(c1ncc(Br)cc1Br)N1CC(N2CCCC2)C1 ZINC000898606157 663657889 /nfs/dbraw/zinc/65/78/89/663657889.db2.gz PAUVTWXSXLXQQZ-UHFFFAOYSA-N 0 1 389.091 2.527 20 0 GFADMN CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000898759912 663663183 /nfs/dbraw/zinc/66/31/83/663663183.db2.gz RXNXJMKRZAWJCN-VIFPVBQESA-N 0 1 382.214 2.572 20 0 GFADMN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898850131 663665662 /nfs/dbraw/zinc/66/56/62/663665662.db2.gz NBVQWJVCGXMOFJ-UWVGGRQHSA-N 0 1 385.251 2.699 20 0 GFADMN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898850131 663665665 /nfs/dbraw/zinc/66/56/65/663665665.db2.gz NBVQWJVCGXMOFJ-UWVGGRQHSA-N 0 1 385.251 2.699 20 0 GFADMN O=C(Cc1ccc(Cl)cc1Br)NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC000898856211 663666486 /nfs/dbraw/zinc/66/64/86/663666486.db2.gz IZRYLAXPBUUFBR-SNVBAGLBSA-N 0 1 399.676 2.583 20 0 GFADMN O=C(Cc1ccc(Cl)cc1Br)NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC000898856211 663666487 /nfs/dbraw/zinc/66/64/87/663666487.db2.gz IZRYLAXPBUUFBR-SNVBAGLBSA-N 0 1 399.676 2.583 20 0 GFADMN O=C(NCc1nnc([C@@H]2CCOC2)[nH]1)c1ccc(Cl)c(Br)c1 ZINC000898857317 663666548 /nfs/dbraw/zinc/66/65/48/663666548.db2.gz OPDIPBWUJDSVOY-SECBINFHSA-N 0 1 385.649 2.655 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCOC2)n1)c1ccc(Cl)c(Br)c1 ZINC000898857317 663666551 /nfs/dbraw/zinc/66/65/51/663666551.db2.gz OPDIPBWUJDSVOY-SECBINFHSA-N 0 1 385.649 2.655 20 0 GFADMN CC(C)(C)N1CC[C@@H]1C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000899147419 663677941 /nfs/dbraw/zinc/67/79/41/663677941.db2.gz FPWSLHCHTILWQI-BZUAXINKSA-N 0 1 381.314 2.956 20 0 GFADMN CCc1cc(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)ccc1Br ZINC000899333029 663683828 /nfs/dbraw/zinc/68/38/28/663683828.db2.gz YVPVJAAZERNDDT-LBPRGKRZSA-N 0 1 379.258 2.564 20 0 GFADMN CCc1cc(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)ccc1Br ZINC000899333029 663683830 /nfs/dbraw/zinc/68/38/30/663683830.db2.gz YVPVJAAZERNDDT-LBPRGKRZSA-N 0 1 379.258 2.564 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899441613 663688071 /nfs/dbraw/zinc/68/80/71/663688071.db2.gz HVISTNZGTTXILI-CRAIPNDOSA-N 0 1 391.265 2.668 20 0 GFADMN O=C(NCc1ccccc1Br)C1CCC(N2CCOCC2)CC1 ZINC000900124756 663708657 /nfs/dbraw/zinc/70/86/57/663708657.db2.gz RXLNRWRGOSWQGJ-UHFFFAOYSA-N 0 1 381.314 2.956 20 0 GFADMN CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC000900306704 663712066 /nfs/dbraw/zinc/71/20/66/663712066.db2.gz SJQWKEVCEAOVCC-CQSZACIVSA-N 0 1 398.301 2.606 20 0 GFADMN O=C(Cc1c[nH]cn1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000900895709 663723547 /nfs/dbraw/zinc/72/35/47/663723547.db2.gz BMUBJFGBVMSOCT-AWEZNQCLSA-N 0 1 381.217 2.921 20 0 GFADMN NC(=O)[C@@H](NCCc1nc2c(s1)CCC2)c1ccc(Br)cc1 ZINC000901578799 663738364 /nfs/dbraw/zinc/73/83/64/663738364.db2.gz JEDXVPGXFBVZJK-HNNXBMFYSA-N 0 1 380.311 2.753 20 0 GFADMN CN(C)C(=O)[C@@H](NCC1(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000901606154 663739098 /nfs/dbraw/zinc/73/90/98/663739098.db2.gz BOPMSRRWJYXZCG-HNNXBMFYSA-N 0 1 377.286 2.554 20 0 GFADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000901694138 663742244 /nfs/dbraw/zinc/74/22/44/663742244.db2.gz GFNRNCUZAKKUCF-MRXNPFEDSA-N 0 1 379.258 2.717 20 0 GFADMN O=C([O-])[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1Br ZINC000901749231 663744825 /nfs/dbraw/zinc/74/48/25/663744825.db2.gz RXSJHVJTNCHREZ-HNNXBMFYSA-N 0 1 391.269 2.755 20 0 GFADMN C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902254066 663758070 /nfs/dbraw/zinc/75/80/70/663758070.db2.gz CUJKNYAYGFEBDZ-UHFFFAOYSA-N 0 1 397.294 2.957 20 0 GFADMN C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902254066 663758072 /nfs/dbraw/zinc/75/80/72/663758072.db2.gz CUJKNYAYGFEBDZ-UHFFFAOYSA-N 0 1 397.294 2.957 20 0 GFADMN O=C([O-])CCCN1CCC([NH2+][C@H]2COc3cccc(Br)c3C2)CC1 ZINC000902498264 663762203 /nfs/dbraw/zinc/76/22/03/663762203.db2.gz YOUVVASFYBUKPZ-CQSZACIVSA-N 0 1 397.313 2.671 20 0 GFADMN O=C([O-])CCC[NH+]1CCC(N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC000902498264 663762205 /nfs/dbraw/zinc/76/22/05/663762205.db2.gz YOUVVASFYBUKPZ-CQSZACIVSA-N 0 1 397.313 2.671 20 0 GFADMN CNc1ccc(C)cc1CN[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902694153 663766297 /nfs/dbraw/zinc/76/62/97/663766297.db2.gz YAPOIAMEQXTWHF-OAHLLOKOSA-N 0 1 375.270 2.847 20 0 GFADMN O=S(=O)([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccns1)C1CC1 ZINC000902722469 663766786 /nfs/dbraw/zinc/76/67/86/663766786.db2.gz YEBRDLAVSZJROB-SFHVURJKSA-N 0 1 377.535 2.712 20 0 GFADMN O=S(=O)([C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccns1)C1CC1 ZINC000902722469 663766789 /nfs/dbraw/zinc/76/67/89/663766789.db2.gz YEBRDLAVSZJROB-SFHVURJKSA-N 0 1 377.535 2.712 20 0 GFADMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccnc(Cl)c1C ZINC000903130424 663775285 /nfs/dbraw/zinc/77/52/85/663775285.db2.gz WCLHNCQJSKWRAE-UHFFFAOYSA-N 0 1 384.841 2.777 20 0 GFADMN Brc1ccc(-n2ccc(CN[C@H]3CCO[C@@]34CCOC4)n2)cc1 ZINC000903220125 663778763 /nfs/dbraw/zinc/77/87/63/663778763.db2.gz KVRXKHKJBLBIMM-DLBZAZTESA-N 0 1 378.270 2.672 20 0 GFADMN Cc1ncc(NS(=O)(=O)c2ccc(N(C)C)nc2)c(C)c1Br ZINC000903255201 663780576 /nfs/dbraw/zinc/78/05/76/663780576.db2.gz YIOOAIFPGUEQOL-UHFFFAOYSA-N 0 1 385.287 2.723 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](CCc1ccccc1Br)C[C@@H]2C(=O)[O-] ZINC000903415544 663784209 /nfs/dbraw/zinc/78/42/09/663784209.db2.gz KDCYFDHTPQJTAT-TXKKKEFDSA-N 0 1 396.281 2.577 20 0 GFADMN Cc1cnc(NS(=O)(=O)c2ccnn2CC2CCC2)c(Br)c1 ZINC000903615221 663792252 /nfs/dbraw/zinc/79/22/52/663792252.db2.gz UIJNAZIWBZMAJC-UHFFFAOYSA-N 0 1 385.287 2.950 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1CC(=O)[O-] ZINC000903630763 663794607 /nfs/dbraw/zinc/79/46/07/663794607.db2.gz CUNDVBLVIUPRQR-DGCLKSJQSA-N 0 1 394.269 2.966 20 0 GFADMN Cc1ccc(Br)c(NS(=O)(=O)c2ccnn2CC2CCC2)n1 ZINC000903642506 663796548 /nfs/dbraw/zinc/79/65/48/663796548.db2.gz OGGKAUWKVINCQL-UHFFFAOYSA-N 0 1 385.287 2.950 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cccc(C)c1Br)C[C@H]2C(=O)[O-] ZINC000903708111 663804683 /nfs/dbraw/zinc/80/46/83/663804683.db2.gz XTMNWRMIXKQZIM-FVRSWCFKSA-N 0 1 396.281 2.843 20 0 GFADMN NCc1nc2c(s1)CCN(Cc1ccccc1I)C2 ZINC000903940886 663813077 /nfs/dbraw/zinc/81/30/77/663813077.db2.gz IDPUDTXKEKIGAR-UHFFFAOYSA-N 0 1 385.274 2.765 20 0 GFADMN NCc1nc2c(s1)CCN(Cc1nc3ccccn3c1Br)C2 ZINC000903944974 663813405 /nfs/dbraw/zinc/81/34/05/663813405.db2.gz OPHPDWOOPRZMDK-UHFFFAOYSA-N 0 1 378.299 2.570 20 0 GFADMN COCC[C@@H]1CNCCN1C(=O)Nc1cc(F)c(Br)cc1F ZINC000904392712 663832287 /nfs/dbraw/zinc/83/22/87/663832287.db2.gz XZDRPBVJWRTEFZ-SECBINFHSA-N 0 1 378.217 2.570 20 0 GFADMN COCC[C@@H]1CNCCN1C(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000904418002 663833419 /nfs/dbraw/zinc/83/34/19/663833419.db2.gz SEFMCYWTFKQNDL-CYBMUJFWSA-N 0 1 381.889 2.701 20 0 GFADMN O=C(Cc1noc(C23CCC(CC2)N3)n1)Nc1ccccc1Br ZINC000904690047 663840944 /nfs/dbraw/zinc/84/09/44/663840944.db2.gz NUHCXJGSAZZMFE-UHFFFAOYSA-N 0 1 377.242 2.754 20 0 GFADMN COc1cc(Br)c(CNC[C@@H](O)CCC2(O)CCC2)cc1OC ZINC000905087202 663852262 /nfs/dbraw/zinc/85/22/62/663852262.db2.gz 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/nfs/dbraw/zinc/66/79/04/664667904.db2.gz RMRIROZKOMDRHQ-RYUDHWBXSA-N 0 1 381.439 2.642 20 0 GFADMN O=C(CNC(=O)OCC(F)(F)F)Nc1nc2cccc(Br)c2[nH]1 ZINC000925613963 664673553 /nfs/dbraw/zinc/67/35/53/664673553.db2.gz GDJULEHMADSIBW-UHFFFAOYSA-N 0 1 395.135 2.552 20 0 GFADMN COc1cc(Br)cc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000926904202 664698905 /nfs/dbraw/zinc/69/89/05/664698905.db2.gz WPSBIXPCPZDACQ-CABCVRRESA-N 0 1 376.316 2.903 20 0 GFADMN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000928081531 664722055 /nfs/dbraw/zinc/72/20/55/664722055.db2.gz OSFGVPCFTRZMMY-WDEREUQCSA-N 0 1 396.866 2.560 20 0 GFADMN COc1ccc(Br)c(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000928102250 664723322 /nfs/dbraw/zinc/72/33/22/664723322.db2.gz LRDICVOSEYYXQC-GJZGRUSLSA-N 0 1 385.327 2.767 20 0 GFADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2cncc(Br)c2)[nH]1 ZINC000928356690 664729423 /nfs/dbraw/zinc/72/94/23/664729423.db2.gz CDEUVLKANAGLED-GFCCVEGCSA-N 0 1 382.287 2.726 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2cncc(Br)c2)n1 ZINC000928356690 664729425 /nfs/dbraw/zinc/72/94/25/664729425.db2.gz CDEUVLKANAGLED-GFCCVEGCSA-N 0 1 382.287 2.726 20 0 GFADMN CN(CC(=O)N1CCC[C@H]1c1cncc(Br)c1)[C@@H]1CCSC1 ZINC000928361103 664730822 /nfs/dbraw/zinc/73/08/22/664730822.db2.gz DSTGAOXWCPGHJL-CABCVRRESA-N 0 1 384.343 2.945 20 0 GFADMN CN1CC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000928570821 664735391 /nfs/dbraw/zinc/73/53/91/664735391.db2.gz WNKJUSDXPQPAQL-KBPBESRZSA-N 0 1 384.307 2.666 20 0 GFADMN O=C([N-]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521024 664772172 /nfs/dbraw/zinc/77/21/72/664772172.db2.gz RWKRKYPPQGVKAF-QJPTWQEYSA-N 0 1 376.341 2.877 20 0 GFADMN O=C([N-]C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1)C(F)(F)F ZINC000930521024 664772173 /nfs/dbraw/zinc/77/21/73/664772173.db2.gz RWKRKYPPQGVKAF-QJPTWQEYSA-N 0 1 376.341 2.877 20 0 GFADMN COC(=O)c1cncc(CN(C)C[C@@H](O)c2ccccc2Br)c1 ZINC000930668995 664775497 /nfs/dbraw/zinc/77/54/97/664775497.db2.gz NRHYDFCHQZAJOQ-MRXNPFEDSA-N 0 1 379.254 2.796 20 0 GFADMN O=C(NCCN1CCC(O)CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000930905196 664780803 /nfs/dbraw/zinc/78/08/03/664780803.db2.gz ARPAJRALHDUDKQ-AWEZNQCLSA-N 0 1 379.810 2.699 20 0 GFADMN O=C(CCN1CCC[C@H]1c1nnc[nH]1)Nc1ccc(Br)cc1F ZINC000931136745 664786787 /nfs/dbraw/zinc/78/67/87/664786787.db2.gz ROUXTBNYXSZWTJ-ZDUSSCGKSA-N 0 1 382.237 2.872 20 0 GFADMN Cc1cc(NC(=O)CN2CCc3nccc(N)c3C2)ccc1Br ZINC000931513002 664797116 /nfs/dbraw/zinc/79/71/16/664797116.db2.gz QBMQQPAXCIOQKN-UHFFFAOYSA-N 0 1 375.270 2.732 20 0 GFADMN Cc1ncc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c(C)c1Br ZINC000932788808 664838661 /nfs/dbraw/zinc/83/86/61/664838661.db2.gz JTJVXYYDBLBWQJ-UHFFFAOYSA-N 0 1 398.349 2.608 20 0 GFADMN CSc1ccc(OC[C@@H](O)CN2CCC(CO)(C(F)(F)F)CC2)cc1 ZINC000932830908 664841268 /nfs/dbraw/zinc/84/12/68/664841268.db2.gz WQYHEFDLHFAIPZ-ZDUSSCGKSA-N 0 1 379.444 2.785 20 0 GFADMN CC[C@@H](c1ccc(Br)cc1)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932841079 664841410 /nfs/dbraw/zinc/84/14/10/664841410.db2.gz VAFQOGFDILKLJL-CVEARBPZSA-N 0 1 381.314 2.863 20 0 GFADMN Cc1c(Br)cc(F)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000934044311 664888695 /nfs/dbraw/zinc/88/86/95/664888695.db2.gz TWZQCQUGYMCQKL-UHFFFAOYSA-N 0 1 385.277 2.833 20 0 GFADMN O=C(c1cc(F)cc(Br)c1F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000934222325 664892748 /nfs/dbraw/zinc/89/27/48/664892748.db2.gz KEBVYCDOEFRXEC-NSHDSACASA-N 0 1 389.240 2.522 20 0 GFADMN O=C(c1cc(Br)cnc1C1CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000934223086 664892805 /nfs/dbraw/zinc/89/28/05/664892805.db2.gz QTZMNGRBMQKUQE-CYBMUJFWSA-N 0 1 394.313 2.516 20 0 GFADMN C[C@](CO)(NCC(=O)NCc1cccs1)c1cccc(Br)c1 ZINC000934499650 664909675 /nfs/dbraw/zinc/90/96/75/664909675.db2.gz XFDADKALJSMAMY-MRXNPFEDSA-N 0 1 383.311 2.624 20 0 GFADMN OC[C@H](NCCCc1cccnc1)c1ccccc1I ZINC000934827024 664924671 /nfs/dbraw/zinc/92/46/71/664924671.db2.gz QQQCIFPPVSKBAT-INIZCTEOSA-N 0 1 382.245 2.942 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)n[nH]1 ZINC000935146177 664942643 /nfs/dbraw/zinc/94/26/43/664942643.db2.gz QSLPNGYMSIOUSN-JDNHERCYSA-N 0 1 399.264 2.915 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)[C@@H](C)CN1C ZINC000935188517 664945328 /nfs/dbraw/zinc/94/53/28/664945328.db2.gz AYBNWWXICAOZTG-MNOVXSKESA-N 0 1 379.254 2.720 20 0 GFADMN C[NH+]1CCC(OCC(=O)Nc2c([O-])cc(Br)cc2Cl)CC1 ZINC000935950684 665000709 /nfs/dbraw/zinc/00/07/09/665000709.db2.gz PCKNGKBGJNTFPD-UHFFFAOYSA-N 0 1 377.666 2.857 20 0 GFADMN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1C(=O)c1ccsc1Cl ZINC000988748245 665020861 /nfs/dbraw/zinc/02/08/61/665020861.db2.gz YLGXPLNMJXNBQF-JHEVNIALSA-N 0 1 378.885 2.648 20 0 GFADMN Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2csc(Cl)c2)[nH]n1 ZINC000996055026 665028093 /nfs/dbraw/zinc/02/80/93/665028093.db2.gz PCMVQZOSELXPPL-RDBSUJKOSA-N 0 1 378.885 2.537 20 0 GFADMN O=C(CCc1cnc[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996391405 665031794 /nfs/dbraw/zinc/03/17/94/665031794.db2.gz ZRDPHVKGCCNNDB-XBFCOCLRSA-N 0 1 378.885 2.619 20 0 GFADMN Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC000999031718 665041897 /nfs/dbraw/zinc/04/18/97/665041897.db2.gz DKOYSMHBIVDXME-AGIUHOORSA-N 0 1 378.885 2.537 20 0 GFADMN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Cl)cs1 ZINC001000459060 665046603 /nfs/dbraw/zinc/04/66/03/665046603.db2.gz KBRZHYJGJUSDBU-RZFFKMDDSA-N 0 1 381.929 2.748 20 0 GFADMN O=C(NCC1=CCN(CC[C@H]2CC2(Cl)Cl)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001000980581 665048674 /nfs/dbraw/zinc/04/86/74/665048674.db2.gz NNKRULULXYYADQ-NEXGVSGLSA-N 0 1 385.335 2.742 20 0 GFADMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccc(Cl)s2)C3)n[nH]1 ZINC001002747958 665057000 /nfs/dbraw/zinc/05/70/00/665057000.db2.gz HOFYCFQZCGYLCO-QKCSRTOESA-N 0 1 378.885 2.537 20 0 GFADMN C[C@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2sccc2Cl)C1 ZINC001006292779 665069836 /nfs/dbraw/zinc/06/98/36/665069836.db2.gz AJTLVADLWYAWAE-MXYBEHONSA-N 0 1 381.929 2.605 20 0 GFADMN C[C@H](CC(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccc(Br)cc1 ZINC000120483094 677396470 /nfs/dbraw/zinc/39/64/70/677396470.db2.gz NKENOICTQIRKCO-HUUCEWRRSA-N 0 1 382.346 2.695 20 0 GFADMN Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)sc1C(=O)[O-] ZINC000390421277 677408789 /nfs/dbraw/zinc/40/87/89/677408789.db2.gz JYCGIROFKKBZAE-ZDUSSCGKSA-N 0 1 382.507 2.554 20 0 GFADMN O=C(CNCc1cc(Br)c(Br)s1)NCC(F)F ZINC000393699012 677410812 /nfs/dbraw/zinc/41/08/12/677410812.db2.gz HAYLWXNZPNNLIQ-UHFFFAOYSA-N 0 1 392.063 2.744 20 0 GFADMN O=C(N1CC[C@H](c2nc[nH]n2)C1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000579223695 677673373 /nfs/dbraw/zinc/67/33/73/677673373.db2.gz NEZJRQKMBWPPSP-JTQLQIEISA-N 0 1 379.233 2.754 20 0 GFADMN Cc1cc(N2CCCC2)nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164647320 719306501 /nfs/dbraw/zinc/30/65/01/719306501.db2.gz LWNYMFRLGUJGIA-UHFFFAOYSA-N 0 1 383.544 2.787 20 0 GFADMN COC(=O)c1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164692375 719805215 /nfs/dbraw/zinc/80/52/15/719805215.db2.gz NPHIGHDRYXHULO-UHFFFAOYSA-N 0 1 387.509 2.663 20 0 GFADMN CSc1ncc(Cl)c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164733134 720553944 /nfs/dbraw/zinc/55/39/44/720553944.db2.gz JYZYHCOGWZLCFK-UHFFFAOYSA-N 0 1 378.933 2.707 20 0 GFADMN Clc1cc(Cl)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164869165 721052360 /nfs/dbraw/zinc/05/23/60/721052360.db2.gz SBNCWZIAEFWHDO-UONOGXRCSA-N 0 1 380.279 2.658 20 0 GFADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CSC5)C[C@@H]3C2)cn1 ZINC001164765770 721103819 /nfs/dbraw/zinc/10/38/19/721103819.db2.gz KJRATRQLDYBHHN-KGLIPLIRSA-N 0 1 390.944 2.569 20 0 GFADMN Cn1cc(CN2CC[C@@H]3CN(c4nc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164767323 721109666 /nfs/dbraw/zinc/10/96/66/721109666.db2.gz MTBPHNYROWTNIH-HZPDHXFCSA-N 0 1 382.899 2.975 20 0 GFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4F)C3)O2)CC1 ZINC001164888512 721386113 /nfs/dbraw/zinc/38/61/13/721386113.db2.gz JTHQXQMIWCUJLO-APWZRJJASA-N 0 1 382.911 2.640 20 0 GFADMN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(Cl)c1 ZINC001164884405 721387813 /nfs/dbraw/zinc/38/78/13/721387813.db2.gz ARCMTJIYCYBPEG-PXNSSMCTSA-N 0 1 378.948 2.809 20 0 GFADMN Cc1nc(C)c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891482 721404876 /nfs/dbraw/zinc/40/48/76/721404876.db2.gz WKCCFHLAOAWMAS-XLIONFOSSA-N 0 1 393.963 2.512 20 0 GFADMN Cc1cccc2ncc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc12 ZINC001164884116 721405054 /nfs/dbraw/zinc/40/50/54/721405054.db2.gz DDPLCXGWVMFVPI-WMZHIEFXSA-N 0 1 395.551 2.704 20 0 GFADMN Cc1nc(C)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(Cl)n1 ZINC001164891483 721405273 /nfs/dbraw/zinc/40/52/73/721405273.db2.gz WKCCFHLAOAWMAS-YLJYHZDGSA-N 0 1 393.963 2.512 20 0 GFADMN CC(C)Oc1cccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164885191 721418321 /nfs/dbraw/zinc/41/83/21/721418321.db2.gz GEKRQIUJLSMDDH-SIKLNZKXSA-N 0 1 388.556 2.634 20 0 GFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5cc(F)ccc5n4)C3)O2)CC1 ZINC001164893784 721426412 /nfs/dbraw/zinc/42/64/12/721426412.db2.gz KLETXTOVGBCCQR-DENIHFKCSA-N 0 1 399.514 2.534 20 0 GFADMN Cc1cc2ccncc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164895825 721443938 /nfs/dbraw/zinc/44/39/38/721443938.db2.gz QBFJTBZQHXKTIL-NZQKXSOJSA-N 0 1 395.551 2.704 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164802542 721529995 /nfs/dbraw/zinc/52/99/95/721529995.db2.gz GYZZERIDCONJKV-NJDAHSKKSA-N 0 1 375.476 2.893 20 0 GFADMN Cc1nc2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2n1C ZINC001164802206 721553971 /nfs/dbraw/zinc/55/39/71/721553971.db2.gz HRJOMEUAXRYPDY-IRFCIJBXSA-N 0 1 392.507 2.540 20 0 GFADMN Cc1nc2c(c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n1)CCC2 ZINC001164798210 721570970 /nfs/dbraw/zinc/57/09/70/721570970.db2.gz AVNZXZDOGGTCHY-PCCBWWKXSA-N 0 1 379.508 2.537 20 0 GFADMN CCOc1ccc(Cl)nc1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165011169 721739477 /nfs/dbraw/zinc/73/94/77/721739477.db2.gz OLMXVMLHXCDNPH-UHFFFAOYSA-N 0 1 380.920 2.657 20 0 GFADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C)ccc4C(N)=O)CC3)C2)cc1 ZINC001164938688 721930693 /nfs/dbraw/zinc/93/06/93/721930693.db2.gz DQWGSNCQFWYSDF-UHFFFAOYSA-N 0 1 394.519 2.669 20 0 GFADMN Clc1cnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983095 722113019 /nfs/dbraw/zinc/11/30/19/722113019.db2.gz YFHUXZYKTWCVHL-GJZGRUSLSA-N 0 1 394.306 2.906 20 0 GFADMN NC(=O)c1cnc(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993220 722195665 /nfs/dbraw/zinc/19/56/65/722195665.db2.gz CTSNBAGGCHQRMX-LJQANCHMSA-N 0 1 389.862 2.613 20 0 GFADMN O=C1COc2nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)ccc2N1 ZINC001164993688 722199625 /nfs/dbraw/zinc/19/96/25/722199625.db2.gz HQJDWNOWLRXSSZ-OAQYLSRUSA-N 0 1 382.439 2.797 20 0 GFADMN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2)CC1 ZINC000104784499 536423671 /nfs/dbraw/zinc/42/36/71/536423671.db2.gz YLDIFCNWGAFPDV-SFHVURJKSA-N 0 1 398.532 2.743 20 0 GFADMN COc1cc(NS(=O)(=O)c2cncc(Br)c2)cc(OC)c1C ZINC000431184711 563556737 /nfs/dbraw/zinc/55/67/37/563556737.db2.gz VCXIAQHUCOHRAN-UHFFFAOYSA-N 0 1 387.255 2.971 20 0 GFADMN CC[N@H+]1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C1 ZINC000286752975 563573496 /nfs/dbraw/zinc/57/34/96/563573496.db2.gz YVNVBASJCRDZGQ-SNVBAGLBSA-N 0 1 376.245 2.692 20 0 GFADMN CCN1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)[C@H](C)C1 ZINC000286752975 563573499 /nfs/dbraw/zinc/57/34/99/563573499.db2.gz YVNVBASJCRDZGQ-SNVBAGLBSA-N 0 1 376.245 2.692 20 0 GFADMN CC(C)[C@@H](CNC(=O)c1cc(F)ccc1Br)N1CCN(C)CC1 ZINC000042580861 551139838 /nfs/dbraw/zinc/13/98/38/551139838.db2.gz JOSAFGCNVYEPID-MRXNPFEDSA-N 0 1 386.309 2.590 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3Br)nc2)CC1 ZINC000053744915 551168045 /nfs/dbraw/zinc/16/80/45/551168045.db2.gz NRFCBNPLRYBFRN-UHFFFAOYSA-N 0 1 393.260 2.987 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000106553681 551200558 /nfs/dbraw/zinc/20/05/58/551200558.db2.gz UTRREDZUKDZPRO-KGLIPLIRSA-N 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C[C@@H](NCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccc(Cl)s1 ZINC000182983141 552298076 /nfs/dbraw/zinc/29/80/76/552298076.db2.gz HUOYZWZCCNGTEL-CYBMUJFWSA-N 0 1 383.945 2.913 20 0 GFADMN Cn1ccnc1[C@H](NCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000183325722 552306154 /nfs/dbraw/zinc/30/61/54/552306154.db2.gz PLQVWGPQQBOPLV-OAHLLOKOSA-N 0 1 377.286 2.653 20 0 GFADMN Cc1cc(SCC(=O)N(C)C[C@H](C)c2nn[nH]n2)c(C)cc1Br ZINC000183423889 552308848 /nfs/dbraw/zinc/30/88/48/552308848.db2.gz BGNWAQCACHSASA-NSHDSACASA-N 0 1 398.330 2.933 20 0 GFADMN O=C(CN[C@@H](CO)c1ccccc1)Nc1cccc(I)c1 ZINC000183662730 552316385 /nfs/dbraw/zinc/31/63/85/552316385.db2.gz OGOPLZIUJFNURK-HNNXBMFYSA-N 0 1 396.228 2.553 20 0 GFADMN CCN(Cc1nc2ccc(Br)cc2[nH]1)[C@H](C)CS(=O)(=O)CC ZINC000184970887 552349249 /nfs/dbraw/zinc/34/92/49/552349249.db2.gz SEEXDJSQFVVFNL-LLVKDONJSA-N 0 1 388.331 2.971 20 0 GFADMN CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)C1 ZINC000185089479 552353687 /nfs/dbraw/zinc/35/36/87/552353687.db2.gz 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ZINC000186641739 552393032 /nfs/dbraw/zinc/39/30/32/552393032.db2.gz KEWLACOLSGHFCM-UHFFFAOYSA-N 0 1 387.249 2.599 20 0 GFADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1coc(Br)c1 ZINC000186634020 552393082 /nfs/dbraw/zinc/39/30/82/552393082.db2.gz HRKKSKXOAGUEAO-UHFFFAOYSA-N 0 1 377.198 2.669 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000186684060 552394681 /nfs/dbraw/zinc/39/46/81/552394681.db2.gz YZSUZWQNAZEVSS-UHFFFAOYSA-N 0 1 388.295 2.803 20 0 GFADMN CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(I)c(F)cc1F ZINC000186714665 552395956 /nfs/dbraw/zinc/39/59/56/552395956.db2.gz GVKGJUQVOXIXAD-UHFFFAOYSA-N 0 1 394.203 2.736 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000186906102 552401258 /nfs/dbraw/zinc/40/12/58/552401258.db2.gz ZZUJWYQBGDDJIO-LBPRGKRZSA-N 0 1 394.313 2.848 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCc1cc(Br)cs1 ZINC000186953967 552402579 /nfs/dbraw/zinc/40/25/79/552402579.db2.gz WVSPULDUPUHREU-LBPRGKRZSA-N 0 1 389.359 2.747 20 0 GFADMN Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000187677777 552421289 /nfs/dbraw/zinc/42/12/89/552421289.db2.gz BIZZOZNIAZEXLY-CYBMUJFWSA-N 0 1 385.287 2.792 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1C[C@@H](O)C[C@H]1CO ZINC000187666037 552421355 /nfs/dbraw/zinc/42/13/55/552421355.db2.gz MQBOEJPDJDZWCR-IRXDYDNUSA-N 0 1 394.313 2.686 20 0 GFADMN COc1ccc(-c2n[nH]c(CNS(=O)(=O)c3cc(C)c(Cl)s3)n2)cc1 ZINC000187929646 552428494 /nfs/dbraw/zinc/42/84/94/552428494.db2.gz WEXHDLJOJBFEDH-UHFFFAOYSA-N 0 1 398.897 2.982 20 0 GFADMN COc1ccc(-c2nc(CNS(=O)(=O)c3cc(C)c(Cl)s3)n[nH]2)cc1 ZINC000187929646 552428496 /nfs/dbraw/zinc/42/84/96/552428496.db2.gz WEXHDLJOJBFEDH-UHFFFAOYSA-N 0 1 398.897 2.982 20 0 GFADMN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC000187944160 552428765 /nfs/dbraw/zinc/42/87/65/552428765.db2.gz BGJFZSHGHTVSFG-UHFFFAOYSA-N 0 1 385.288 2.522 20 0 GFADMN Cn1nccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188013387 552431054 /nfs/dbraw/zinc/43/10/54/552431054.db2.gz ATXYJUZBVZNKAG-CYBMUJFWSA-N 0 1 385.873 2.822 20 0 GFADMN O=C(CN[C@H](CC1CC1)c1cc(F)cc(Br)c1)N1CCNC1=O ZINC000188185970 552438101 /nfs/dbraw/zinc/43/81/01/552438101.db2.gz IPEMDDHZMCRHJT-CQSZACIVSA-N 0 1 384.249 2.571 20 0 GFADMN Cn1cnnc1[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000188216228 552439742 /nfs/dbraw/zinc/43/97/42/552439742.db2.gz HDRLXWFLUFHUCR-JTQLQIEISA-N 0 1 376.873 2.940 20 0 GFADMN O=C(NCCN1CCCOCC1)Nc1ccc(Cl)c(Br)c1 ZINC000188416199 552444257 /nfs/dbraw/zinc/44/42/57/552444257.db2.gz MDFRCPUQEPQVAL-UHFFFAOYSA-N 0 1 376.682 2.946 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCN1 ZINC000188448371 552445708 /nfs/dbraw/zinc/44/57/08/552445708.db2.gz WNFWYKBGGUYWHT-TZMCWYRMSA-N 0 1 384.307 2.666 20 0 GFADMN O=S(=O)(N[C@H]1CCC[C@@H]1CCO)c1cc(F)c(Br)cc1F ZINC000188917441 552458521 /nfs/dbraw/zinc/45/85/21/552458521.db2.gz HJORAHJFLQTXCA-PELKAZGASA-N 0 1 384.242 2.557 20 0 GFADMN COc1cc(Br)ccc1[C@@H](C)NC(=O)CSc1nnc(C)[nH]1 ZINC000189146818 552464414 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Cc1cccc(C[C@@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc32)c1 ZINC000191151444 552520313 /nfs/dbraw/zinc/52/03/13/552520313.db2.gz ARGFHFGZZTVLLI-AWEZNQCLSA-N 0 1 388.265 2.967 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191739553 552536447 /nfs/dbraw/zinc/53/64/47/552536447.db2.gz ANVRPRPKUHFHQG-LLVKDONJSA-N 0 1 388.295 2.801 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2cc(Br)c(F)cc2F)C[C@H](C)O1 ZINC000191896849 552541740 /nfs/dbraw/zinc/54/17/40/552541740.db2.gz PQNUOTITFNKJNX-PHIMTYICSA-N 0 1 391.256 2.956 20 0 GFADMN CC[C@@H](CO)N1CCN([C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000192046180 552547424 /nfs/dbraw/zinc/54/74/24/552547424.db2.gz GHORKEQPRAEGQH-BBRMVZONSA-N 0 1 375.296 2.596 20 0 GFADMN CC(C)(O)CN1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192465687 552564635 /nfs/dbraw/zinc/56/46/35/552564635.db2.gz CNLNCMMTVAVAAS-UHFFFAOYSA-N 0 1 396.329 2.858 20 0 GFADMN O=S(=O)(C1CC1)N1CCC(NCc2c(F)cccc2Br)CC1 ZINC000192626056 552567889 /nfs/dbraw/zinc/56/78/89/552567889.db2.gz HKJAMOZHDMMDIV-UHFFFAOYSA-N 0 1 391.306 2.634 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)[C@H](C)C1 ZINC000192811374 552974760 /nfs/dbraw/zinc/97/47/60/552974760.db2.gz QPYCGAGSFXSYJF-ZIAGYGMSSA-N 0 1 394.313 2.991 20 0 GFADMN C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]2C1 ZINC000192914477 552978062 /nfs/dbraw/zinc/97/80/62/552978062.db2.gz ASBPFCUEKDFSNI-GASCZTMLSA-N 0 1 395.322 2.784 20 0 GFADMN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccnn1C ZINC000193031148 552980700 /nfs/dbraw/zinc/98/07/00/552980700.db2.gz MAWFVSQUSMMLTL-ZDUSSCGKSA-N 0 1 379.302 2.870 20 0 GFADMN FC(F)(F)c1nnc(N2CCCN(CCO[C@H]3CCCCO3)CC2)s1 ZINC000193128835 552984288 /nfs/dbraw/zinc/98/42/88/552984288.db2.gz VXUJIWDIXZUTQH-LBPRGKRZSA-N 0 1 380.436 2.612 20 0 GFADMN O=S(=O)([N-]CC1CC[NH2+]CC1)c1cc(Cl)c(Br)cc1F ZINC000193235053 552987194 /nfs/dbraw/zinc/98/71/94/552987194.db2.gz KCQGJWWZFBICIO-UHFFFAOYSA-N 0 1 385.686 2.520 20 0 GFADMN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F 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COc1cc(Br)ccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000325363620 563453844 /nfs/dbraw/zinc/45/38/44/563453844.db2.gz ADLUKUYYDFIOMQ-HNNXBMFYSA-N 0 1 397.313 2.785 20 0 GFADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000376876838 563456728 /nfs/dbraw/zinc/45/67/28/563456728.db2.gz OMFHRPGONRSDBP-UWVGGRQHSA-N 0 1 382.251 2.702 20 0 GFADMN CC(C)(C)S(=O)(=O)CCNCc1cccc(I)c1 ZINC000284022384 563461693 /nfs/dbraw/zinc/46/16/93/563461693.db2.gz QRMIEFTVCWFPOP-UHFFFAOYSA-N 0 1 381.279 2.594 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@@H]4CCN(C)C[C@H]43)c2)n1 ZINC000328675991 563463080 /nfs/dbraw/zinc/46/30/80/563463080.db2.gz RHKMKJPOXREJMR-WMLDXEAASA-N 0 1 377.535 2.833 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3CC[C@H]4CCN(C)C[C@@H]43)c2)n1 ZINC000328675989 563463117 /nfs/dbraw/zinc/46/31/17/563463117.db2.gz RHKMKJPOXREJMR-PBHICJAKSA-N 0 1 377.535 2.833 20 0 GFADMN O[C@@]1(CNCc2c(Br)cncc2Br)CCSC1 ZINC000284078398 563463476 /nfs/dbraw/zinc/46/34/76/563463476.db2.gz 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CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C=Cc2ccc(Br)s2)C1 ZINC000285140639 563505117 /nfs/dbraw/zinc/50/51/17/563505117.db2.gz WXNJLAPWVKQVGL-UIALCFJWSA-N 0 1 397.298 2.939 20 0 GFADMN Cc1cccc(OC[C@@H](O)CN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000429018406 563507806 /nfs/dbraw/zinc/50/78/06/563507806.db2.gz HDRPYLQXFNXGFU-KBXCAEBGSA-N 0 1 398.272 2.960 20 0 GFADMN C[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)N1CCCC[C@H]1C ZINC000330484092 563508084 /nfs/dbraw/zinc/50/80/84/563508084.db2.gz XEBIDUHFSPFISR-NXEZZACHSA-N 0 1 380.844 2.686 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)cc1Br ZINC000378470143 563508547 /nfs/dbraw/zinc/50/85/47/563508547.db2.gz DYNKOLJJEJLHNF-UHFFFAOYSA-N 0 1 399.266 2.726 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Br)n[nH]1 ZINC000285350644 563515880 /nfs/dbraw/zinc/51/58/80/563515880.db2.gz LHVRXDQRNUJPHZ-ZCFIWIBFSA-N 0 1 379.667 2.569 20 0 GFADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1sccc1Br ZINC000285449260 563521326 /nfs/dbraw/zinc/52/13/26/563521326.db2.gz 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/nfs/dbraw/zinc/30/12/46/564301246.db2.gz DEOZUDGIQDDKIX-UHFFFAOYSA-N 0 1 379.482 2.851 20 0 GFADMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(OC)cc1Cl ZINC000565914751 564301689 /nfs/dbraw/zinc/30/16/89/564301689.db2.gz ZUWJSIYUPQERQO-UHFFFAOYSA-N 0 1 385.825 2.945 20 0 GFADMN CSc1n[nH]c(NC(=O)COc2ccc(Br)cc2C(C)=O)n1 ZINC000509517517 564301938 /nfs/dbraw/zinc/30/19/38/564301938.db2.gz BOOLVURUIBDIAJ-UHFFFAOYSA-N 0 1 385.243 2.509 20 0 GFADMN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000509558330 564304363 /nfs/dbraw/zinc/30/43/63/564304363.db2.gz RTBSLLZRDAQRGH-UHFFFAOYSA-N 0 1 391.417 2.633 20 0 GFADMN CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000542239068 564305875 /nfs/dbraw/zinc/30/58/75/564305875.db2.gz XQBOJIMTNFJGCP-AWEZNQCLSA-N 0 1 399.456 2.880 20 0 GFADMN COc1cccc(C[C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438215 564308436 /nfs/dbraw/zinc/30/84/36/564308436.db2.gz FSALZGZOLFGONE-BDJLRTHQSA-N 0 1 378.270 2.600 20 0 GFADMN CCOc1c(Br)cc(CNCc2cnc(C)[nH]c2=O)cc1OC ZINC000542309104 564309773 /nfs/dbraw/zinc/30/97/73/564309773.db2.gz HCHPLRKXKYMVSO-UHFFFAOYSA-N 0 1 382.258 2.950 20 0 GFADMN COc1cc(Br)c(CNC[C@@H](O)CCOC(C)C)cc1OC ZINC000566110212 564310266 /nfs/dbraw/zinc/31/02/66/564310266.db2.gz HIRPDLKHVIDTHK-ZDUSSCGKSA-N 0 1 376.291 2.732 20 0 GFADMN CC(C)[C@@H](CNC(=O)N1CCc2sc(Cl)cc2C1)N1CCN(C)CC1 ZINC000566146919 564312654 /nfs/dbraw/zinc/31/26/54/564312654.db2.gz HTIWSSKZIQGMMJ-OAHLLOKOSA-N 0 1 384.977 2.741 20 0 GFADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542466101 564313953 /nfs/dbraw/zinc/31/39/53/564313953.db2.gz GTVMITZTYXIIQQ-NOZJJQNGSA-N 0 1 393.734 2.864 20 0 GFADMN C[C@](N)(C(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(Br)cc1 ZINC000566191681 564315505 /nfs/dbraw/zinc/31/55/05/564315505.db2.gz TVMKJVQDYGDSBX-KBXCAEBGSA-N 0 1 381.314 2.898 20 0 GFADMN CC(C)c1nc([C@H]2COCCN2C(=O)c2cccc(Br)c2O)no1 ZINC000542495140 564316522 /nfs/dbraw/zinc/31/65/22/564316522.db2.gz SBUUNEXNMBSCPR-GFCCVEGCSA-N 0 1 396.241 2.875 20 0 GFADMN COCCN(Cc1cncs1)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451482357 564317848 /nfs/dbraw/zinc/31/78/48/564317848.db2.gz VUYGTZSVMYOKBV-UHFFFAOYSA-N 0 1 396.412 2.705 20 0 GFADMN COCC1(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)CC1 ZINC000475765332 564318532 /nfs/dbraw/zinc/31/85/32/564318532.db2.gz FHAKJZWLUVTSKU-UHFFFAOYSA-N 0 1 396.329 2.562 20 0 GFADMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000475794961 564319830 /nfs/dbraw/zinc/31/98/30/564319830.db2.gz GYOXBZUEPHPOHV-UHFFFAOYSA-N 0 1 381.262 2.593 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000566317036 564322507 /nfs/dbraw/zinc/32/25/07/564322507.db2.gz DIDNKBABUBIZNV-UHFFFAOYSA-N 0 1 382.507 2.685 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@H+]1C ZINC000542748823 564323949 /nfs/dbraw/zinc/32/39/49/564323949.db2.gz UPPWYIWPWHRBPO-OLZOCXBDSA-N 0 1 399.333 2.783 20 0 GFADMN Cc1noc([C@H]2CCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 ZINC000451537815 564323959 /nfs/dbraw/zinc/32/39/59/564323959.db2.gz CVJLWIAQBFKARP-SNVBAGLBSA-N 0 1 377.344 2.628 20 0 GFADMN COC(=O)c1ccc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)[nH]1 ZINC000542854706 564328771 /nfs/dbraw/zinc/32/87/71/564328771.db2.gz VTGVYBXCJDPQFM-UHFFFAOYSA-N 0 1 390.241 2.639 20 0 GFADMN COC(=O)c1ccc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)[nH]1 ZINC000542854706 564328774 /nfs/dbraw/zinc/32/87/74/564328774.db2.gz VTGVYBXCJDPQFM-UHFFFAOYSA-N 0 1 390.241 2.639 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cn1 ZINC000542941164 564332537 /nfs/dbraw/zinc/33/25/37/564332537.db2.gz RLNKUUZILXVTRW-UHFFFAOYSA-N 0 1 376.312 2.568 20 0 GFADMN C[C@H](NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc([S@@](C)=O)cc1 ZINC000542977971 564334222 /nfs/dbraw/zinc/33/42/22/564334222.db2.gz SWIPXJFALCBDRS-UCSSDQKISA-N 0 1 376.444 2.876 20 0 GFADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000510504403 564336801 /nfs/dbraw/zinc/33/68/01/564336801.db2.gz ZAADWRSIEHEZRX-UHFFFAOYSA-N 0 1 388.555 2.730 20 0 GFADMN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(Br)c1 ZINC000566674385 564338430 /nfs/dbraw/zinc/33/84/30/564338430.db2.gz MKJOVNVODGCLQU-RYUDHWBXSA-N 0 1 379.258 2.659 20 0 GFADMN O=S(=O)(CCN[C@H]1COc2ccccc2C1)c1cccc(Br)c1 ZINC000566733646 564339944 /nfs/dbraw/zinc/33/99/44/564339944.db2.gz XBZKVHYHKBRJBP-OAHLLOKOSA-N 0 1 396.306 2.816 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N(C)Cc3nccs3)c12 ZINC000566739805 564340990 /nfs/dbraw/zinc/34/09/90/564340990.db2.gz JSXMAUGPDQPUHA-UHFFFAOYSA-N 0 1 377.495 2.852 20 0 GFADMN NC1(c2noc(Cc3cc4c(cc3Br)OCCO4)n2)CCCC1 ZINC000566737712 564341310 /nfs/dbraw/zinc/34/13/10/564341310.db2.gz HBYHQIZKKCMCNC-UHFFFAOYSA-N 0 1 380.242 2.922 20 0 GFADMN CCN(CCNS(=O)(=O)c1ccc(Cl)cc1Br)C1CC1 ZINC000543245655 564344082 /nfs/dbraw/zinc/34/40/82/564344082.db2.gz FFLAMHLRKYVGFW-UHFFFAOYSA-N 0 1 381.723 2.865 20 0 GFADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CCO3)cc1 ZINC000566817843 564344546 /nfs/dbraw/zinc/34/45/46/564344546.db2.gz UZBBTQYSBFHCPM-UHFFFAOYSA-N 0 1 381.475 2.606 20 0 GFADMN C[C@H]1CN(C(C)(C)CNC(=O)Cc2cccc(Br)c2)C[C@H](C)O1 ZINC000510909616 564349444 /nfs/dbraw/zinc/34/94/44/564349444.db2.gz BPMVQAFHROIVDS-KBPBESRZSA-N 0 1 383.330 2.996 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000566995764 564352682 /nfs/dbraw/zinc/35/26/82/564352682.db2.gz WNWDBQDTHHLWKS-NSHDSACASA-N 0 1 381.723 2.865 20 0 GFADMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1cnn(C)c1 ZINC000543506285 564353587 /nfs/dbraw/zinc/35/35/87/564353587.db2.gz ZANRYKFSDSCCJF-OLZOCXBDSA-N 0 1 379.302 2.880 20 0 GFADMN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000567014671 564353674 /nfs/dbraw/zinc/35/36/74/564353674.db2.gz CTVJIAARLJUKBA-UHFFFAOYSA-N 0 1 380.491 2.663 20 0 GFADMN CN(C[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)C1)S(C)(=O)=O ZINC000511138647 564359801 /nfs/dbraw/zinc/35/98/01/564359801.db2.gz FWOWKULOSCTIBV-CYBMUJFWSA-N 0 1 395.352 2.976 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2)CCN(CC(F)(F)F)C1 ZINC000451870823 564361591 /nfs/dbraw/zinc/36/15/91/564361591.db2.gz ISUSBJXPNJEPGR-HIFRSBDPSA-N 0 1 380.838 2.896 20 0 GFADMN CSC[C@@H](NC[C@@H]1CS(=O)(=O)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000543773833 564362846 /nfs/dbraw/zinc/36/28/46/564362846.db2.gz DALLGBAVQRLSKK-ZIAGYGMSSA-N 0 1 383.457 2.513 20 0 GFADMN Cn1cc([C@@H]2CSCCN2C(=O)c2cccc(Br)c2O)cn1 ZINC000567300288 564364688 /nfs/dbraw/zinc/36/46/88/564364688.db2.gz XLYKKUNZYUZVTF-ZDUSSCGKSA-N 0 1 382.283 2.819 20 0 GFADMN NC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1Cl ZINC000543865198 564366702 /nfs/dbraw/zinc/36/67/02/564366702.db2.gz YWJYDKCMBVXKQF-UHFFFAOYSA-N 0 1 379.747 2.654 20 0 GFADMN COc1cc(Br)ccc1CCC(=O)NCCCCN1CCOCC1 ZINC000543934312 564368569 /nfs/dbraw/zinc/36/85/69/564368569.db2.gz MDKJXJZEDXUNEL-UHFFFAOYSA-N 0 1 399.329 2.619 20 0 GFADMN COc1cc([C@@H](C)NCCNS(=O)(=O)c2ccc(F)cc2Cl)ccn1 ZINC000567373666 564368598 /nfs/dbraw/zinc/36/85/98/564368598.db2.gz VOFUAVLAFXWMBF-LLVKDONJSA-N 0 1 387.864 2.512 20 0 GFADMN O=S1(=O)CCC[C@H]1CNCc1cccc(Br)c1OC(F)F ZINC000567368999 564368942 /nfs/dbraw/zinc/36/89/42/564368942.db2.gz MOOQVDMMLSVMKZ-JTQLQIEISA-N 0 1 384.242 2.717 20 0 GFADMN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000511414966 564372050 /nfs/dbraw/zinc/37/20/50/564372050.db2.gz YQJJYIQTUMVDAU-QWHCGFSZSA-N 0 1 381.828 2.693 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000567557916 564376592 /nfs/dbraw/zinc/37/65/92/564376592.db2.gz RORMEEVOLCKAMZ-HOCLYGCPSA-N 0 1 382.917 2.617 20 0 GFADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000567713024 564384397 /nfs/dbraw/zinc/38/43/97/564384397.db2.gz ZQZURCKGUYOJJO-PWSUYJOCSA-N 0 1 381.249 2.901 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000567722332 564385232 /nfs/dbraw/zinc/38/52/32/564385232.db2.gz XOSVPIKLKJXIKQ-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000544611936 564390660 /nfs/dbraw/zinc/39/06/60/564390660.db2.gz YTOUNYFBXDEDHQ-MRVPVSSYSA-N 0 1 385.713 2.950 20 0 GFADMN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)o1)c1nc(C2CC2)no1 ZINC000544720293 564396235 /nfs/dbraw/zinc/39/62/35/564396235.db2.gz PKIYDOKSWFJAFD-NSHDSACASA-N 0 1 390.259 2.978 20 0 GFADMN COc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(Br)c1O ZINC000544928318 564404374 /nfs/dbraw/zinc/40/43/74/564404374.db2.gz XKKXUMPHSPWSGC-OLZOCXBDSA-N 0 1 383.286 2.654 20 0 GFADMN CC(=O)NCCc1noc(-c2[nH]nc(-c3ccccc3)c2Br)n1 ZINC000545010938 564406801 /nfs/dbraw/zinc/40/68/01/564406801.db2.gz BMSXZESVNUFVNN-UHFFFAOYSA-N 0 1 376.214 2.568 20 0 GFADMN CC(C)c1cnc(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)s1 ZINC000512618172 564406960 /nfs/dbraw/zinc/40/69/60/564406960.db2.gz QUGHOCDETODMEH-UHFFFAOYSA-N 0 1 382.555 2.719 20 0 GFADMN O=C(c1cccc2[nH]cnc21)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000478553869 564407526 /nfs/dbraw/zinc/40/75/26/564407526.db2.gz VBWLFCDAMGNOCI-MRXNPFEDSA-N 0 1 399.248 2.639 20 0 GFADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCCOc1cccc(I)c1 ZINC000568288782 564413248 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CCO[C@@H]1C[C@@H](NCc2cn3ccc(Br)cc3n2)[C@@H]1n1cccn1 ZINC000550324697 564620548 /nfs/dbraw/zinc/62/05/48/564620548.db2.gz IVIXIHCKANQOPQ-INMHGKMJSA-N 0 1 390.285 2.802 20 0 GFADMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ncc(I)s1 ZINC000573045258 564620930 /nfs/dbraw/zinc/62/09/30/564620930.db2.gz IAOMBZXNSHUIHD-RNCFNFMXSA-N 0 1 394.278 2.959 20 0 GFADMN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000521209356 564622040 /nfs/dbraw/zinc/62/20/40/564622040.db2.gz ODFKKCNHQPPDOL-GFCCVEGCSA-N 0 1 379.873 2.765 20 0 GFADMN Cc1cscc1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000550407211 564623223 /nfs/dbraw/zinc/62/32/23/564623223.db2.gz WSGGUEDMNRCWOS-OAHLLOKOSA-N 0 1 377.535 2.688 20 0 GFADMN COc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc(Br)c1OC ZINC000550716897 564629721 /nfs/dbraw/zinc/62/97/21/564629721.db2.gz XGTBTNMRRBLLKQ-CQSZACIVSA-N 0 1 385.302 2.879 20 0 GFADMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOCC2)c1 ZINC000573382766 564635638 /nfs/dbraw/zinc/63/56/38/564635638.db2.gz 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GFADMN CCN(CC)[C@H](CNC(=O)NCc1n[nH]cc1Br)c1ccco1 ZINC000523429999 564667678 /nfs/dbraw/zinc/66/76/78/564667678.db2.gz LWGMEUSBNZJCBM-CYBMUJFWSA-N 0 1 384.278 2.648 20 0 GFADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000574092408 564667728 /nfs/dbraw/zinc/66/77/28/564667728.db2.gz DKYJTLBCJDMKQM-RHSMWYFYSA-N 0 1 386.286 2.622 20 0 GFADMN CC[C@H]1CN(CCNCc2c(Br)cc(OC)cc2OC)CCO1 ZINC000487176913 564678074 /nfs/dbraw/zinc/67/80/74/564678074.db2.gz YXQATXVUQWAIIT-ZDUSSCGKSA-N 0 1 387.318 2.667 20 0 GFADMN COc1ccsc1S(=O)(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000574652643 564683720 /nfs/dbraw/zinc/68/37/20/564683720.db2.gz UHEUPPCONWGRQN-INIZCTEOSA-N 0 1 380.535 2.694 20 0 GFADMN CCN(CC)[C@H](CNC(=O)NCc1nn(C)cc1Br)c1ccco1 ZINC000458083747 564686740 /nfs/dbraw/zinc/68/67/40/564686740.db2.gz YDDRWIJSCUOJJB-CQSZACIVSA-N 0 1 398.305 2.658 20 0 GFADMN CC(C)(C(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1)c1cnc[nH]1 ZINC000458099720 564687663 /nfs/dbraw/zinc/68/76/63/564687663.db2.gz 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O=C(CCOc1ccc(Cl)cc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000488841720 564721425 /nfs/dbraw/zinc/72/14/25/564721425.db2.gz PPMDALOYVKJUJS-AWEZNQCLSA-N 0 1 387.307 2.943 20 0 GFADMN Cn1ccnc1-c1cc(NC(=O)Nc2ccc(Br)cc2F)[nH]n1 ZINC000577152427 564727270 /nfs/dbraw/zinc/72/72/70/564727270.db2.gz DQUXDLSHSRYGGK-UHFFFAOYSA-N 0 1 379.193 3.356 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCn2cc(Br)ccc2=O)n[nH]1 ZINC000489219767 564732630 /nfs/dbraw/zinc/73/26/30/564732630.db2.gz QZKYXVQQPVWFRK-GHMZBOCLSA-N 0 1 396.289 2.510 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000459131289 564732667 /nfs/dbraw/zinc/73/26/67/564732667.db2.gz GQKFRXWAUSCTFY-GFCCVEGCSA-N 0 1 394.317 2.951 20 0 GFADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166838 564733031 /nfs/dbraw/zinc/73/30/31/564733031.db2.gz NWERZMBFJPICLX-HIFRSBDPSA-N 0 1 377.838 2.943 20 0 GFADMN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H](C)C1 ZINC000553783472 564736358 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CCc1[nH]nc(C(=O)N2CCc3nc(C(C)C)ncc3C2)c1Br ZINC000527625322 564751357 /nfs/dbraw/zinc/75/13/57/564751357.db2.gz BZBJXFWJCZNEGA-UHFFFAOYSA-N 0 1 378.274 2.847 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3cccc(O)c3Br)[C@H](C)C2)n[nH]1 ZINC000459585153 564752570 /nfs/dbraw/zinc/75/25/70/564752570.db2.gz IRBYUPSYRQPJGR-GFCCVEGCSA-N 0 1 393.285 2.533 20 0 GFADMN Cc1nnc(SCC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)[nH]1 ZINC000554173500 564753191 /nfs/dbraw/zinc/75/31/91/564753191.db2.gz CJUNLSWWZVTXKZ-JTQLQIEISA-N 0 1 383.880 2.735 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)n1 ZINC000554173500 564753194 /nfs/dbraw/zinc/75/31/94/564753194.db2.gz CJUNLSWWZVTXKZ-JTQLQIEISA-N 0 1 383.880 2.735 20 0 GFADMN COCCC(=O)N1CCC(NCc2ncc(Cl)cc2Br)CC1 ZINC000527675904 564754292 /nfs/dbraw/zinc/75/42/92/564754292.db2.gz RKVLTWFWFOAWHV-UHFFFAOYSA-N 0 1 390.709 2.615 20 0 GFADMN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc(Br)c(F)c1F ZINC000527707219 564757700 /nfs/dbraw/zinc/75/77/00/564757700.db2.gz DIBJDSHAMYDPGJ-NSHDSACASA-N 0 1 397.285 2.631 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000527723079 564758689 /nfs/dbraw/zinc/75/86/89/564758689.db2.gz XJEUTRVHWFHSHV-LLVKDONJSA-N 0 1 391.256 2.814 20 0 GFADMN CCCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000459787936 564760727 /nfs/dbraw/zinc/76/07/27/564760727.db2.gz POBPCDSWNCKZTO-CKEIUWERSA-N 0 1 386.945 2.805 20 0 GFADMN O=S(=O)(C[C@@H](O)CN[C@@H]1CCc2cc(F)c(Cl)cc21)c1cccs1 ZINC000527874451 564763445 /nfs/dbraw/zinc/76/34/45/564763445.db2.gz CWCOFLCMUSNOPU-XHDPSFHLSA-N 0 1 389.901 2.952 20 0 GFADMN Cc1cccc(N2CCN(CCCNC(=O)[C@H]3C[C@]3(C)Br)CC2)c1 ZINC000527909793 564764177 /nfs/dbraw/zinc/76/41/77/564764177.db2.gz SHHQENVJGGJPPN-MJGOQNOKSA-N 0 1 394.357 2.797 20 0 GFADMN Cn1c(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)nc2ccc(Br)cc21 ZINC000580575343 564764786 /nfs/dbraw/zinc/76/47/86/564764786.db2.gz NTQHITVABZFBHP-ZWKOTPCHSA-N 0 1 394.313 2.746 20 0 GFADMN 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Cc1ccc(NS(=O)(=O)c2cccc3c2OCCC3)cc1S(C)(=O)=O ZINC000650192195 565803737 /nfs/dbraw/zinc/80/37/37/565803737.db2.gz UGYNJSPZHOHDPT-UHFFFAOYSA-N 0 1 381.475 2.524 20 0 GFADMN CN(C)C[C@@H](NC(=O)COC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628968438 565816939 /nfs/dbraw/zinc/81/69/39/565816939.db2.gz INRSJANPMCASBZ-MRXNPFEDSA-N 0 1 375.296 2.908 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]cc(I)c3c2)CC[N@H+]1C ZINC000602107522 565822982 /nfs/dbraw/zinc/82/29/82/565822982.db2.gz GNECHJYPNFIISL-ZYHUDNBSSA-N 0 1 397.260 2.985 20 0 GFADMN FC(F)(F)c1nc2[nH]cnc2c(NCCCn2cc(Br)cn2)n1 ZINC000673484522 565835937 /nfs/dbraw/zinc/83/59/37/565835937.db2.gz HVEQJIMUHFUATR-UHFFFAOYSA-N 0 1 390.167 2.785 20 0 GFADMN Ic1ccc(CN2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000602474889 565849877 /nfs/dbraw/zinc/84/98/77/565849877.db2.gz IUQHKXWLZIJLKQ-LBPRGKRZSA-N 0 1 392.306 2.507 20 0 GFADMN COC(=O)c1cc(CNCCC(=O)Nc2cc(Br)ccc2C)on1 ZINC000602544650 565854316 /nfs/dbraw/zinc/85/43/16/565854316.db2.gz JBHRMCHGRJTVFT-UHFFFAOYSA-N 0 1 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Clc1cccc(C[N@H+]2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737576580 598594021 /nfs/dbraw/zinc/59/40/21/598594021.db2.gz ZEVRMNATBXENSU-OAHLLOKOSA-N 0 1 384.875 2.777 20 0 GFADMN Clc1cccc(C[N@@H+]2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737576580 598594023 /nfs/dbraw/zinc/59/40/23/598594023.db2.gz ZEVRMNATBXENSU-OAHLLOKOSA-N 0 1 384.875 2.777 20 0 GFADMN Clc1cccc(C[N@H+]2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737576580 598594025 /nfs/dbraw/zinc/59/40/25/598594025.db2.gz ZEVRMNATBXENSU-OAHLLOKOSA-N 0 1 384.875 2.777 20 0 GFADMN CCN1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)c(Cl)c3)cn2)CC1 ZINC000736569298 598652598 /nfs/dbraw/zinc/65/25/98/598652598.db2.gz RIICDAMZFFZADB-UHFFFAOYSA-N 0 1 398.902 2.669 20 0 GFADMN CC(C)(C)CCN1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735601941 598665405 /nfs/dbraw/zinc/66/54/05/598665405.db2.gz HHFVZSBCFLKHOB-UHFFFAOYSA-N 0 1 388.541 2.539 20 0 GFADMN Cc1nnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737519952 598677278 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2.605 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000737187088 598779253 /nfs/dbraw/zinc/77/92/53/598779253.db2.gz OVMOXSLFLYSDOH-QWRGUYRKSA-N 0 1 376.486 2.634 20 0 GFADMN CN(C)c1cccc([C@H]2CCCN2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000736778210 599357803 /nfs/dbraw/zinc/35/78/03/599357803.db2.gz DGBKPRTZQINMGX-LJQANCHMSA-N 0 1 391.479 2.708 20 0 GFADMN Cc1nn(C)c2nc(Cl)c(CN[C@H](C)c3cccc(-c4nn[nH]n4)c3)cc12 ZINC000822496275 599397637 /nfs/dbraw/zinc/39/76/37/599397637.db2.gz HKTNKLLFDGXACE-SNVBAGLBSA-N 0 1 382.859 2.961 20 0 GFADMN COc1ccc(CNCc2csc(Br)c2)cc1-c1nn[nH]n1 ZINC000821818505 599404371 /nfs/dbraw/zinc/40/43/71/599404371.db2.gz UDCPKGKSFVJCOO-UHFFFAOYSA-N 0 1 380.271 2.989 20 0 GFADMN CN(C(=O)[O-])c1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000737515215 599756101 /nfs/dbraw/zinc/75/61/01/599756101.db2.gz IOGQIYBVDZDLPK-LJQANCHMSA-N 0 1 382.464 2.728 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000738799515 599761207 /nfs/dbraw/zinc/76/12/07/599761207.db2.gz HCUCZSGRYDWZJC-AGIUHOORSA-N 0 1 390.465 2.763 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000738799515 599761208 /nfs/dbraw/zinc/76/12/08/599761208.db2.gz HCUCZSGRYDWZJC-AGIUHOORSA-N 0 1 390.465 2.763 20 0 GFADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000739473441 599786761 /nfs/dbraw/zinc/78/67/61/599786761.db2.gz YTMUHDGEBKUZFQ-DLBZAZTESA-N 0 1 375.375 2.987 20 0 GFADMN O=C([O-])CCc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000739759663 599826387 /nfs/dbraw/zinc/82/63/87/599826387.db2.gz ILYSYXDZQNXEQT-UHFFFAOYSA-N 0 1 397.475 2.858 20 0 GFADMN CCOc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCC(=O)[O-] ZINC000737185636 599895844 /nfs/dbraw/zinc/89/58/44/599895844.db2.gz HOKYAUAIXSIFGW-SFHVURJKSA-N 0 1 398.459 2.553 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCSCC(=O)[O-])C1 ZINC000736795976 599898373 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381.388 2.942 20 0 GFADMN CCc1[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000737243225 599953591 /nfs/dbraw/zinc/95/35/91/599953591.db2.gz CSKOEOYNKQXRSA-KRWDZBQOSA-N 0 1 383.492 2.878 20 0 GFADMN Cc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000738368931 599973999 /nfs/dbraw/zinc/97/39/99/599973999.db2.gz IWYZXHLIFRJZBS-CYBMUJFWSA-N 0 1 388.493 2.716 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000740024614 599994206 /nfs/dbraw/zinc/99/42/06/599994206.db2.gz HKABUOPWNCRGMX-PZJWPPBQSA-N 0 1 397.475 2.981 20 0 GFADMN Cc1c(C(=O)Nc2ccsc2C(=O)[O-])nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738276253 599996053 /nfs/dbraw/zinc/99/60/53/599996053.db2.gz PCOMLUODDIGMDB-UHFFFAOYSA-N 0 1 397.460 2.576 20 0 GFADMN C[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000736596266 600017145 /nfs/dbraw/zinc/01/71/45/600017145.db2.gz UDBCCYJQECIOBE-OAHLLOKOSA-N 0 1 379.460 2.857 20 0 GFADMN CCc1ccc(C[N@H+](C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737264932 600039021 /nfs/dbraw/zinc/03/90/21/600039021.db2.gz MTMNMKXUSWWKRK-NRFANRHFSA-N 0 1 393.487 2.974 20 0 GFADMN CCc1ccc(C[N@@H+](C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000737264932 600039024 /nfs/dbraw/zinc/03/90/24/600039024.db2.gz MTMNMKXUSWWKRK-NRFANRHFSA-N 0 1 393.487 2.974 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000738662877 600060624 /nfs/dbraw/zinc/06/06/24/600060624.db2.gz YLCLCRWJDNLBSN-UHFFFAOYSA-N 0 1 398.463 2.536 20 0 GFADMN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736742317 600078042 /nfs/dbraw/zinc/07/80/42/600078042.db2.gz RBNKWULYIKWGIX-KZULUSFZSA-N 0 1 397.834 2.533 20 0 GFADMN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736742317 600078046 /nfs/dbraw/zinc/07/80/46/600078046.db2.gz RBNKWULYIKWGIX-KZULUSFZSA-N 0 1 397.834 2.533 20 0 GFADMN CC[C@@]([NH2+]CC(=O)N1CCN(c2cccc(C)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC000736918911 600128920 /nfs/dbraw/zinc/12/89/20/600128920.db2.gz DHBGQWFPJKUYBT-QHCPKHFHSA-N 0 1 395.503 2.623 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)o1 ZINC000737867746 600232567 /nfs/dbraw/zinc/23/25/67/600232567.db2.gz QBSULVDUYWPZHG-HOTGVXAUSA-N 0 1 375.421 2.872 20 0 GFADMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736762453 600264196 /nfs/dbraw/zinc/26/41/96/600264196.db2.gz QXLFARMTLMPHGH-WTDYNNMLSA-N 0 1 378.469 2.895 20 0 GFADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737148907 600294138 /nfs/dbraw/zinc/29/41/38/600294138.db2.gz RXKDTYFZRVTBKW-ZDUSSCGKSA-N 0 1 394.493 2.667 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248898977 600309810 /nfs/dbraw/zinc/30/98/10/600309810.db2.gz WLHAHTCKGGFGPY-SJORKVTESA-N 0 1 394.537 2.968 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000736788875 600311525 /nfs/dbraw/zinc/31/15/25/600311525.db2.gz HHRZYJVHNSFTPG-UONOGXRCSA-N 0 1 386.539 2.721 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736793697 600313117 /nfs/dbraw/zinc/31/31/17/600313117.db2.gz MDEWVXBCOIIXEF-LBPRGKRZSA-N 0 1 395.887 2.603 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000736783693 600314367 /nfs/dbraw/zinc/31/43/67/600314367.db2.gz HGMUFTOTOLBVPL-KBPBESRZSA-N 0 1 380.514 2.889 20 0 GFADMN C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736820701 600331212 /nfs/dbraw/zinc/33/12/12/600331212.db2.gz GNSGPFLZEFJSMT-FUHWJXTLSA-N 0 1 389.496 2.698 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC000736783216 600331595 /nfs/dbraw/zinc/33/15/95/600331595.db2.gz FJGMGCRFCSOLQY-MSOLQXFVSA-N 0 1 387.524 2.934 20 0 GFADMN CN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000737394669 600336858 /nfs/dbraw/zinc/33/68/58/600336858.db2.gz IORMQELUEZEGIV-GFCCVEGCSA-N 0 1 386.279 2.799 20 0 GFADMN O=C([O-])[C@@H]1CC12CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000739527208 600349912 /nfs/dbraw/zinc/34/99/12/600349912.db2.gz RPHRZYLKELWDGF-OALUTQOASA-N 0 1 385.508 2.795 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C[NH+](C)C)c1 ZINC000738632751 600362002 /nfs/dbraw/zinc/36/20/02/600362002.db2.gz KDKBATHIKVRMIO-UHFFFAOYSA-N 0 1 384.404 2.834 20 0 GFADMN CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737441048 600415966 /nfs/dbraw/zinc/41/59/66/600415966.db2.gz LUIOVPXXXODLRV-UHFFFAOYSA-N 0 1 395.503 2.598 20 0 GFADMN O=C([O-])c1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000740215533 600425226 /nfs/dbraw/zinc/42/52/26/600425226.db2.gz YOSQMGXGKSARDD-AWEZNQCLSA-N 0 1 393.365 2.803 20 0 GFADMN CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1nccs1 ZINC000736920509 600453199 /nfs/dbraw/zinc/45/31/99/600453199.db2.gz VAXQHOVRUDHWBP-YGRLFVJLSA-N 0 1 391.449 2.696 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000736788699 600475402 /nfs/dbraw/zinc/47/54/02/600475402.db2.gz GSUQUKPCWVEKSI-AWEZNQCLSA-N 0 1 399.447 2.991 20 0 GFADMN CCCC[N@@H+](C)CCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000736992968 600498152 /nfs/dbraw/zinc/49/81/52/600498152.db2.gz SAGGEORNBTZRFI-UHFFFAOYSA-N 0 1 378.860 2.728 20 0 GFADMN CC[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@H]1CCOC1 ZINC000737069740 600508346 /nfs/dbraw/zinc/50/83/46/600508346.db2.gz QISOAXFSICINIG-SNVBAGLBSA-N 0 1 375.252 2.989 20 0 GFADMN Cc1cc(NC(=O)C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)ccc1Br ZINC000738427960 600510235 /nfs/dbraw/zinc/51/02/35/600510235.db2.gz MPUTZCLLTNBSGO-CQSZACIVSA-N 0 1 399.285 2.652 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)ccc1Br ZINC000738427960 600510236 /nfs/dbraw/zinc/51/02/36/600510236.db2.gz MPUTZCLLTNBSGO-CQSZACIVSA-N 0 1 399.285 2.652 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@H+]3CCC[C@H]3C3CCC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738871602 600553258 /nfs/dbraw/zinc/55/32/58/600553258.db2.gz GVORRGFNOMGSPV-KRWDZBQOSA-N 0 1 386.496 2.591 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+](CCCCO)C3CC3)c2C(=O)[O-])C1 ZINC000736802859 600556302 /nfs/dbraw/zinc/55/63/02/600556302.db2.gz RCYNVGHWJIRISA-GFCCVEGCSA-N 0 1 380.510 2.747 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](CCCCO)C3CC3)c2C(=O)[O-])C1 ZINC000736802859 600556304 /nfs/dbraw/zinc/55/63/04/600556304.db2.gz RCYNVGHWJIRISA-GFCCVEGCSA-N 0 1 380.510 2.747 20 0 GFADMN CC[C@@](C)([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(=O)[O-] ZINC000736861211 600561040 /nfs/dbraw/zinc/56/10/40/600561040.db2.gz IKYHHXUGSDJILS-SCLBCKFNSA-N 0 1 375.450 2.862 20 0 GFADMN O=C([O-])[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccc(O)cc1 ZINC000739498323 600582198 /nfs/dbraw/zinc/58/21/98/600582198.db2.gz KBSLZRUHMINDPQ-WOJBJXKFSA-N 0 1 396.487 2.664 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](CCC(=O)[O-])C(C)C)C1=O ZINC000736931329 600609093 /nfs/dbraw/zinc/60/90/93/600609093.db2.gz FMOYYXRIWNUYID-GOSISDBHSA-N 0 1 381.860 2.640 20 0 GFADMN COC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1C(=O)[O-] ZINC000831404577 600662823 /nfs/dbraw/zinc/66/28/23/600662823.db2.gz IEGOVVZTKDDAHR-UHFFFAOYSA-N 0 1 391.468 2.756 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829396708 600664462 /nfs/dbraw/zinc/66/44/62/600664462.db2.gz UMPWOCUCZWESDJ-HNNXBMFYSA-N 0 1 391.468 2.948 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829118522 600665587 /nfs/dbraw/zinc/66/55/87/600665587.db2.gz IQTCKYZMUWHMBT-CQSZACIVSA-N 0 1 377.441 2.557 20 0 GFADMN Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000738723200 600674672 /nfs/dbraw/zinc/67/46/72/600674672.db2.gz QLTXCDJXXYZCCH-IAGOWNOFSA-N 0 1 397.475 2.731 20 0 GFADMN O=C([O-])C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000738564260 600677820 /nfs/dbraw/zinc/67/78/20/600677820.db2.gz VJJKVMCZAPXFDB-UXHICEINSA-N 0 1 382.460 2.610 20 0 GFADMN O=C([O-])C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000738564260 600677823 /nfs/dbraw/zinc/67/78/23/600677823.db2.gz VJJKVMCZAPXFDB-UXHICEINSA-N 0 1 382.460 2.610 20 0 GFADMN O=C([O-])CCN(Cc1ccccc1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000739724220 600679040 /nfs/dbraw/zinc/67/90/40/600679040.db2.gz VQUZCGWIHSIMOL-NRFANRHFSA-N 0 1 396.487 2.781 20 0 GFADMN O=C([O-])CCN(Cc1ccccc1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000739724220 600679042 /nfs/dbraw/zinc/67/90/42/600679042.db2.gz VQUZCGWIHSIMOL-NRFANRHFSA-N 0 1 396.487 2.781 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000832918317 600683784 /nfs/dbraw/zinc/68/37/84/600683784.db2.gz UJAIZKWYWLGWPG-RHSMWYFYSA-N 0 1 376.453 2.684 20 0 GFADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736810477 600715377 /nfs/dbraw/zinc/71/53/77/600715377.db2.gz OOFWCOWQQPZASK-PBHICJAKSA-N 0 1 378.469 2.999 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000833303678 600716496 /nfs/dbraw/zinc/71/64/96/600716496.db2.gz UZCXSYSIJAEQMV-UHFFFAOYSA-N 0 1 398.481 2.528 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ccc1C(=O)[O-] ZINC000832902702 600750969 /nfs/dbraw/zinc/75/09/69/600750969.db2.gz FTHMXPIDPAHWGA-UHFFFAOYSA-N 0 1 380.510 2.578 20 0 GFADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000827461254 600752727 /nfs/dbraw/zinc/75/27/27/600752727.db2.gz ROVBAYKXBMYHMC-QGZVFWFLSA-N 0 1 396.491 2.646 20 0 GFADMN Cc1[nH+]ccn1CCCCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000833010747 600754456 /nfs/dbraw/zinc/75/44/56/600754456.db2.gz KVYAIVOYMFXZKE-UHFFFAOYSA-N 0 1 395.463 2.919 20 0 GFADMN CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])[C@@H](C)C1 ZINC000829758641 600759623 /nfs/dbraw/zinc/75/96/23/600759623.db2.gz ALHRKWCRAMMSAR-GXTWGEPZSA-N 0 1 396.534 2.950 20 0 GFADMN COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@](C)(O)C(=O)[O-])CC2 ZINC000577521505 600759924 /nfs/dbraw/zinc/75/99/24/600759924.db2.gz GILYILFWVJMEAG-MJGOQNOKSA-N 0 1 377.462 2.548 20 0 GFADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737051489 600761094 /nfs/dbraw/zinc/76/10/94/600761094.db2.gz VCHISJZWLXRDDW-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737051489 600761096 /nfs/dbraw/zinc/76/10/96/600761096.db2.gz VCHISJZWLXRDDW-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832879564 600796575 /nfs/dbraw/zinc/79/65/75/600796575.db2.gz GZMWWFHYNHHFEX-GDBMZVCRSA-N 0 1 388.493 2.702 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832879564 600796578 /nfs/dbraw/zinc/79/65/78/600796578.db2.gz GZMWWFHYNHHFEX-GDBMZVCRSA-N 0 1 388.493 2.702 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736649603 600807899 /nfs/dbraw/zinc/80/78/99/600807899.db2.gz UFDLOUSQPDYJGW-KXBFYZLASA-N 0 1 383.448 2.796 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736649603 600807900 /nfs/dbraw/zinc/80/79/00/600807900.db2.gz UFDLOUSQPDYJGW-KXBFYZLASA-N 0 1 383.448 2.796 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736648614 600809120 /nfs/dbraw/zinc/80/91/20/600809120.db2.gz HCRNJMSLRDKNEI-OXJNMPFZSA-N 0 1 397.475 2.725 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736648614 600809121 /nfs/dbraw/zinc/80/91/21/600809121.db2.gz HCRNJMSLRDKNEI-OXJNMPFZSA-N 0 1 397.475 2.725 20 0 GFADMN O=C([O-])c1ccc(OCCN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000833321302 600818003 /nfs/dbraw/zinc/81/80/03/600818003.db2.gz REGQANRTOMBOCS-INIZCTEOSA-N 0 1 382.888 2.604 20 0 GFADMN COc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1OC ZINC000832310412 600819614 /nfs/dbraw/zinc/81/96/14/600819614.db2.gz ADBJFCYMBWNUMZ-AWEZNQCLSA-N 0 1 390.461 2.701 20 0 GFADMN COc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1OC ZINC000832310412 600819616 /nfs/dbraw/zinc/81/96/16/600819616.db2.gz ADBJFCYMBWNUMZ-AWEZNQCLSA-N 0 1 390.461 2.701 20 0 GFADMN COc1cc[nH+]c(N2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)CC2)c1 ZINC000832637455 600826202 /nfs/dbraw/zinc/82/62/02/600826202.db2.gz QDNNWIZRDLTGIU-UHFFFAOYSA-N 0 1 391.855 2.643 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000830478192 600852440 /nfs/dbraw/zinc/85/24/40/600852440.db2.gz MCUKPECHKNHMOW-YLJYHZDGSA-N 0 1 382.460 2.936 20 0 GFADMN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000584356350 600855331 /nfs/dbraw/zinc/85/53/31/600855331.db2.gz KBBPYJBRIBMBOR-SFHVURJKSA-N 0 1 379.497 2.598 20 0 GFADMN O=C([O-])CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000833232216 600859637 /nfs/dbraw/zinc/85/96/37/600859637.db2.gz XJKVNKFIJKQBEH-AWEZNQCLSA-N 0 1 392.279 2.689 20 0 GFADMN CC[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1)c1ccc(Cl)cc1 ZINC000576107362 600859645 /nfs/dbraw/zinc/85/96/45/600859645.db2.gz KTKGOIAVAFSGCE-QGZVFWFLSA-N 0 1 382.888 2.863 20 0 GFADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000824892269 607474158 /nfs/dbraw/zinc/47/41/58/607474158.db2.gz GEDZXZQZBWXBOV-SWLSCSKDSA-N 0 1 390.463 2.883 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1C(=O)[O-] ZINC000738229514 600915036 /nfs/dbraw/zinc/91/50/36/600915036.db2.gz JUANHLIAZFJQBO-MRXNPFEDSA-N 0 1 399.491 2.870 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1C(=O)[O-] ZINC000738229514 600915039 /nfs/dbraw/zinc/91/50/39/600915039.db2.gz JUANHLIAZFJQBO-MRXNPFEDSA-N 0 1 399.491 2.870 20 0 GFADMN O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000833187737 600918700 /nfs/dbraw/zinc/91/87/00/600918700.db2.gz SUQQQYNEQNALEG-MSOLQXFVSA-N 0 1 399.491 2.803 20 0 GFADMN C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736823865 600980140 /nfs/dbraw/zinc/98/01/40/600980140.db2.gz DMPICRIFLRFLIV-QVKFZJNVSA-N 0 1 391.471 2.727 20 0 GFADMN C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736823865 600980142 /nfs/dbraw/zinc/98/01/42/600980142.db2.gz DMPICRIFLRFLIV-QVKFZJNVSA-N 0 1 391.471 2.727 20 0 GFADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000829277138 600994293 /nfs/dbraw/zinc/99/42/93/600994293.db2.gz REFBQIXIIRMOBA-LJQANCHMSA-N 0 1 376.497 2.806 20 0 GFADMN C[NH+](C)CCOc1ccccc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263570270 601011560 /nfs/dbraw/zinc/01/15/60/601011560.db2.gz IAARFSHJENXJLL-UHFFFAOYSA-N 0 1 383.492 2.647 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000831230872 601019053 /nfs/dbraw/zinc/01/90/53/601019053.db2.gz PGGFBGXWSZOCLK-UHFFFAOYSA-N 0 1 380.466 2.887 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000833221581 601021543 /nfs/dbraw/zinc/02/15/43/601021543.db2.gz IOIYMFUFRDUFCG-VQTJNVASSA-N 0 1 398.528 2.979 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000833221581 601021545 /nfs/dbraw/zinc/02/15/45/601021545.db2.gz IOIYMFUFRDUFCG-VQTJNVASSA-N 0 1 398.528 2.979 20 0 GFADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000833195531 601035722 /nfs/dbraw/zinc/03/57/22/601035722.db2.gz GJTBRVSRTVHVRP-CLXYIWAZSA-N 0 1 392.546 2.992 20 0 GFADMN Cc1ccc(S(=O)(=O)NCC[N@H+](C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000832955458 601039080 /nfs/dbraw/zinc/03/90/80/601039080.db2.gz CGOKNOUUMFODET-QGZVFWFLSA-N 0 1 396.896 2.684 20 0 GFADMN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000830924044 601055762 /nfs/dbraw/zinc/05/57/62/601055762.db2.gz ZSKGEKFVYQATSV-UHFFFAOYSA-N 0 1 382.892 2.528 20 0 GFADMN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000830924044 601055764 /nfs/dbraw/zinc/05/57/64/601055764.db2.gz ZSKGEKFVYQATSV-UHFFFAOYSA-N 0 1 382.892 2.528 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000831897911 601080461 /nfs/dbraw/zinc/08/04/61/601080461.db2.gz ZRZCCKONHZHQMT-MJBXVCDLSA-N 0 1 393.484 2.890 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+]3C[C@@H](C)CCC[C@H]3C)n2C)c(C)c1CCC(=O)[O-] ZINC000738871689 601091857 /nfs/dbraw/zinc/09/18/57/601091857.db2.gz INNRILUXWJTXFN-UONOGXRCSA-N 0 1 388.512 2.837 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@H+]3C[C@@H](C)CCC[C@H]3C)n2C)c(C)c1CCC(=O)[O-] ZINC000738871689 601091861 /nfs/dbraw/zinc/09/18/61/601091861.db2.gz INNRILUXWJTXFN-UONOGXRCSA-N 0 1 388.512 2.837 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000830684005 601113508 /nfs/dbraw/zinc/11/35/08/601113508.db2.gz WWOOQUUOACBZPY-UHFFFAOYSA-N 0 1 391.468 2.655 20 0 GFADMN C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825923442 607492986 /nfs/dbraw/zinc/49/29/86/607492986.db2.gz HVFYHZOUWXFSFT-UHFFFAOYSA-N 0 1 392.442 2.856 20 0 GFADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825923442 607492987 /nfs/dbraw/zinc/49/29/87/607492987.db2.gz HVFYHZOUWXFSFT-UHFFFAOYSA-N 0 1 392.442 2.856 20 0 GFADMN C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825923442 607492988 /nfs/dbraw/zinc/49/29/88/607492988.db2.gz HVFYHZOUWXFSFT-UHFFFAOYSA-N 0 1 392.442 2.856 20 0 GFADMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825923442 607492989 /nfs/dbraw/zinc/49/29/89/607492989.db2.gz HVFYHZOUWXFSFT-UHFFFAOYSA-N 0 1 392.442 2.856 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828432794 601178915 /nfs/dbraw/zinc/17/89/15/601178915.db2.gz OOOCXQQVECSQAM-PDXHDDNESA-N 0 1 391.471 2.973 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828432794 601178918 /nfs/dbraw/zinc/17/89/18/601178918.db2.gz OOOCXQQVECSQAM-PDXHDDNESA-N 0 1 391.471 2.973 20 0 GFADMN O=C([O-])Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000833288015 601192739 /nfs/dbraw/zinc/19/27/39/601192739.db2.gz IMKNEVOUOKYXRA-APWZRJJASA-N 0 1 398.463 2.781 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000829126276 601241667 /nfs/dbraw/zinc/24/16/67/601241667.db2.gz VUFOYZVRRMONRI-HMWXGYMHSA-N 0 1 394.537 2.963 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000833009174 601268251 /nfs/dbraw/zinc/26/82/51/601268251.db2.gz MCOPGKJRMXRAKX-CYBMUJFWSA-N 0 1 385.445 2.918 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1N1CCOCC1 ZINC000828461537 601324748 /nfs/dbraw/zinc/32/47/48/601324748.db2.gz ADYDGUHOZMLZBQ-KDOFPFPSSA-N 0 1 387.505 2.661 20 0 GFADMN COc1ccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192462 607500837 /nfs/dbraw/zinc/50/08/37/607500837.db2.gz ONEWYWUCLLEGPE-SFHVURJKSA-N 0 1 392.463 2.503 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(C)c1C(=O)[O-] ZINC000832843352 601329220 /nfs/dbraw/zinc/32/92/20/601329220.db2.gz UQFPKWFRAULULH-ZBFHGGJFSA-N 0 1 378.469 2.561 20 0 GFADMN Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H](CC(=O)[O-])C3)c2c1C ZINC000565040841 601381895 /nfs/dbraw/zinc/38/18/95/601381895.db2.gz LCSPOQIWVPYNKZ-CQSZACIVSA-N 0 1 390.509 2.584 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000832918830 601382703 /nfs/dbraw/zinc/38/27/03/601382703.db2.gz YLGHGGWNMRYVPT-CYBMUJFWSA-N 0 1 383.439 2.682 20 0 GFADMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829718982 601398519 /nfs/dbraw/zinc/39/85/19/601398519.db2.gz UKRHGZQLYQXMRR-UHFFFAOYSA-N 0 1 380.448 2.916 20 0 GFADMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829718982 601398521 /nfs/dbraw/zinc/39/85/21/601398521.db2.gz UKRHGZQLYQXMRR-UHFFFAOYSA-N 0 1 380.448 2.916 20 0 GFADMN CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000580572525 601433767 /nfs/dbraw/zinc/43/37/67/601433767.db2.gz ZEFPRHPQHBOCHA-VQIMIIECSA-N 0 1 395.521 2.824 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])CC2)cs1 ZINC000663147156 601471868 /nfs/dbraw/zinc/47/18/68/601471868.db2.gz KAFPVQPAQWBONZ-IBGZPJMESA-N 0 1 399.516 2.874 20 0 GFADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828237458 601492112 /nfs/dbraw/zinc/49/21/12/601492112.db2.gz AUEVWUKRMDKLRD-TXEJJXNPSA-N 0 1 393.509 2.641 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)[O-] ZINC000263132684 601506034 /nfs/dbraw/zinc/50/60/34/601506034.db2.gz DAAQLVCLCLKSCF-MLGOLLRUSA-N 0 1 376.840 2.869 20 0 GFADMN CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000829619233 601509595 /nfs/dbraw/zinc/50/95/95/601509595.db2.gz VYLPZFLCHMGDRN-WMZOPIPTSA-N 0 1 394.537 2.729 20 0 GFADMN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000828671251 601555023 /nfs/dbraw/zinc/55/50/23/601555023.db2.gz BWLXFGHBABPZNT-KRWDZBQOSA-N 0 1 378.454 2.532 20 0 GFADMN CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3occc3C(=O)[O-])CC2)cs1 ZINC000831500610 601611134 /nfs/dbraw/zinc/61/11/34/601611134.db2.gz KHHBLPWYBHUUDC-CYBMUJFWSA-N 0 1 379.482 2.850 20 0 GFADMN c1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(-c2nnn[n-]2)n1 ZINC000826516004 607518192 /nfs/dbraw/zinc/51/81/92/607518192.db2.gz UDAACDDZRFHPCE-AWEZNQCLSA-N 0 1 381.509 2.977 20 0 GFADMN c1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(-c2nnn[n-]2)n1 ZINC000826516004 607518195 /nfs/dbraw/zinc/51/81/95/607518195.db2.gz UDAACDDZRFHPCE-AWEZNQCLSA-N 0 1 381.509 2.977 20 0 GFADMN c1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(-c2nn[n-]n2)n1 ZINC000826516004 607518197 /nfs/dbraw/zinc/51/81/97/607518197.db2.gz UDAACDDZRFHPCE-AWEZNQCLSA-N 0 1 381.509 2.977 20 0 GFADMN c1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc(-c2nn[n-]n2)n1 ZINC000826516004 607518199 /nfs/dbraw/zinc/51/81/99/607518199.db2.gz UDAACDDZRFHPCE-AWEZNQCLSA-N 0 1 381.509 2.977 20 0 GFADMN Cc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc(C)c1OCC(=O)[O-] ZINC000832862912 601679020 /nfs/dbraw/zinc/67/90/20/601679020.db2.gz DYYOGHWYMGKTSK-UHFFFAOYSA-N 0 1 388.489 2.616 20 0 GFADMN Cc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc(C)c1OCC(=O)[O-] ZINC000832862912 601679022 /nfs/dbraw/zinc/67/90/22/601679022.db2.gz DYYOGHWYMGKTSK-UHFFFAOYSA-N 0 1 388.489 2.616 20 0 GFADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000828246621 601728794 /nfs/dbraw/zinc/72/87/94/601728794.db2.gz WKENYERKCYRHJR-JUXOCIIHSA-N 0 1 388.508 2.817 20 0 GFADMN Cc1cc(C)n([C@@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000832879621 601731304 /nfs/dbraw/zinc/73/13/04/601731304.db2.gz IZOWTEHUEDLUIC-AVRDEDQJSA-N 0 1 398.507 2.687 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000833009021 601800496 /nfs/dbraw/zinc/80/04/96/601800496.db2.gz IMTIUWRILHAGNX-AWEZNQCLSA-N 0 1 399.472 2.847 20 0 GFADMN O=C([O-])NC1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCCC1 ZINC000740536489 601876134 /nfs/dbraw/zinc/87/61/34/601876134.db2.gz LZTJGZPOEUCOKS-UHFFFAOYSA-N 0 1 381.423 2.626 20 0 GFADMN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828149718 601881642 /nfs/dbraw/zinc/88/16/42/601881642.db2.gz NDJLBUVSHCJFMT-HNAYVOBHSA-N 0 1 393.443 2.989 20 0 GFADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828149718 601881643 /nfs/dbraw/zinc/88/16/43/601881643.db2.gz NDJLBUVSHCJFMT-HNAYVOBHSA-N 0 1 393.443 2.989 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000581256298 601892049 /nfs/dbraw/zinc/89/20/49/601892049.db2.gz QCYVMCKUNUSENB-OAHLLOKOSA-N 0 1 375.469 2.892 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000581256298 601892050 /nfs/dbraw/zinc/89/20/50/601892050.db2.gz QCYVMCKUNUSENB-OAHLLOKOSA-N 0 1 375.469 2.892 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738838316 601923178 /nfs/dbraw/zinc/92/31/78/601923178.db2.gz YMBKYZDQKMQGBL-KGLIPLIRSA-N 0 1 379.423 2.783 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738838316 601923181 /nfs/dbraw/zinc/92/31/81/601923181.db2.gz YMBKYZDQKMQGBL-KGLIPLIRSA-N 0 1 379.423 2.783 20 0 GFADMN O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000740367862 601927174 /nfs/dbraw/zinc/92/71/74/601927174.db2.gz HHXMIWCTCZXHOG-KURKYZTESA-N 0 1 387.480 2.623 20 0 GFADMN COc1ccc(OC)c([C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000739929303 601927256 /nfs/dbraw/zinc/92/72/56/601927256.db2.gz HKMVSGCTMSMUSJ-KZNAEPCWSA-N 0 1 378.469 2.734 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000828175602 601930194 /nfs/dbraw/zinc/93/01/94/601930194.db2.gz CWUBDRQTEJJHMB-MAUKXSAKSA-N 0 1 383.448 2.935 20 0 GFADMN COc1ccc(-c2nc(C[N@@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)c(OC)c1 ZINC000739879545 601941617 /nfs/dbraw/zinc/94/16/17/601941617.db2.gz OBIDUXDZZLCEMZ-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN COc1ccc(-c2nc(C[N@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)c(OC)c1 ZINC000739879545 601941621 /nfs/dbraw/zinc/94/16/21/601941621.db2.gz OBIDUXDZZLCEMZ-GFCCVEGCSA-N 0 1 377.466 2.917 20 0 GFADMN CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)n(-c2ccccc2)n1 ZINC000263152293 601949551 /nfs/dbraw/zinc/94/95/51/601949551.db2.gz NWPASJXCOLTJLV-NRFANRHFSA-N 0 1 384.480 2.905 20 0 GFADMN C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c(OC)c1 ZINC000739208243 601964886 /nfs/dbraw/zinc/96/48/86/601964886.db2.gz DYSWXGYZKQXEAN-TZNLOLHFSA-N 0 1 378.469 2.542 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739610011 602062979 /nfs/dbraw/zinc/06/29/79/602062979.db2.gz ZQNIYXGMZGGWFI-BBRMVZONSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738977999 602067418 /nfs/dbraw/zinc/06/74/18/602067418.db2.gz XVWWVLBRCOLLFA-SJLPKXTDSA-N 0 1 376.501 2.586 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](CNC(=O)[O-])C3)cc2)C1 ZINC000739104324 602079899 /nfs/dbraw/zinc/07/98/99/602079899.db2.gz LOTCWRFIYJSNQT-APWZRJJASA-N 0 1 388.512 2.718 20 0 GFADMN C[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738976272 602085705 /nfs/dbraw/zinc/08/57/05/602085705.db2.gz UURFLZRQTYOAQZ-AEFFLSMTSA-N 0 1 388.512 2.513 20 0 GFADMN C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739077758 602090834 /nfs/dbraw/zinc/09/08/34/602090834.db2.gz GDRBUUMJPNQXPC-XMTFNYHQSA-N 0 1 382.549 2.822 20 0 GFADMN C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739077757 602090985 /nfs/dbraw/zinc/09/09/85/602090985.db2.gz GDRBUUMJPNQXPC-XDNAFOTISA-N 0 1 382.549 2.822 20 0 GFADMN Cc1ccc(NCCCNC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)[nH+]c1 ZINC000740139929 602092259 /nfs/dbraw/zinc/09/22/59/602092259.db2.gz ZJIXWPKHRAWZOA-SJORKVTESA-N 0 1 389.500 2.756 20 0 GFADMN O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000833153011 602104483 /nfs/dbraw/zinc/10/44/83/602104483.db2.gz IFVCFNRAWQGKGN-HOTGVXAUSA-N 0 1 381.860 2.803 20 0 GFADMN O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000833153021 602104796 /nfs/dbraw/zinc/10/47/96/602104796.db2.gz IFVCFNRAWQGKGN-HZPDHXFCSA-N 0 1 381.860 2.803 20 0 GFADMN O=C([O-])NC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740631193 602145450 /nfs/dbraw/zinc/14/54/50/602145450.db2.gz GQNUEMRUMZBYJV-RBUKOAKNSA-N 0 1 388.512 2.588 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740172206 602182219 /nfs/dbraw/zinc/18/22/19/602182219.db2.gz XUZDEOBYWZPGOA-HKUYNNGSSA-N 0 1 388.512 2.601 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)CC1 ZINC000738834138 602186678 /nfs/dbraw/zinc/18/66/78/602186678.db2.gz IYPPZHYPQOPTJP-UHFFFAOYSA-N 0 1 390.528 2.759 20 0 GFADMN O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c2ccccc2C1 ZINC000740524576 602250675 /nfs/dbraw/zinc/25/06/75/602250675.db2.gz DXPMGLQWEGUJHZ-IBGZPJMESA-N 0 1 394.475 2.820 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000739010550 602266376 /nfs/dbraw/zinc/26/63/76/602266376.db2.gz OJIPAUMWDNFNNS-CZUORRHYSA-N 0 1 399.438 2.757 20 0 GFADMN C[NH+]1CCN([C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc2)CC1 ZINC000739735167 602294876 /nfs/dbraw/zinc/29/48/76/602294876.db2.gz PKXWDCLFPPXIJO-HXUWFJFHSA-N 0 1 394.475 2.654 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)cc1 ZINC000739906066 602370867 /nfs/dbraw/zinc/37/08/67/602370867.db2.gz KFFQDZGGFKQVRT-UHFFFAOYSA-N 0 1 389.496 2.556 20 0 GFADMN COc1ccc([C@H](NC(=O)C[NH+]2CCC(CN(C)C(=O)[O-])CC2)C(C)C)cc1 ZINC000739893193 602384143 /nfs/dbraw/zinc/38/41/43/602384143.db2.gz JTZFOSOPWBQTCJ-HXUWFJFHSA-N 0 1 391.512 2.830 20 0 GFADMN C[C@](CNC(=O)[O-])(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000738921167 602439100 /nfs/dbraw/zinc/43/91/00/602439100.db2.gz SEHNLAVPVPGOGD-FOIQADDNSA-N 0 1 377.460 2.590 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)c1ccco1 ZINC000739604522 602454259 /nfs/dbraw/zinc/45/42/59/602454259.db2.gz YDFHYRFPLMTNTR-KRWDZBQOSA-N 0 1 385.464 2.710 20 0 GFADMN CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739443597 602527573 /nfs/dbraw/zinc/52/75/73/602527573.db2.gz ZUWQDMUDXGIJED-UHFFFAOYSA-N 0 1 377.460 2.781 20 0 GFADMN CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000738812051 602532124 /nfs/dbraw/zinc/53/21/24/602532124.db2.gz YDEFOBUPLQPADA-JTDSTZFVSA-N 0 1 391.512 2.708 20 0 GFADMN CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000738812051 602532125 /nfs/dbraw/zinc/53/21/25/602532125.db2.gz YDEFOBUPLQPADA-JTDSTZFVSA-N 0 1 391.512 2.708 20 0 GFADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737559112 602534420 /nfs/dbraw/zinc/53/44/20/602534420.db2.gz GYHCVMABQXGCBB-GFCCVEGCSA-N 0 1 385.867 2.900 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1)C(=O)[O-] ZINC000739662303 602537536 /nfs/dbraw/zinc/53/75/36/602537536.db2.gz YZXLXMKCVVBPGC-SNVBAGLBSA-N 0 1 391.802 2.812 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1)C(=O)[O-] ZINC000739662303 602537538 /nfs/dbraw/zinc/53/75/38/602537538.db2.gz YZXLXMKCVVBPGC-SNVBAGLBSA-N 0 1 391.802 2.812 20 0 GFADMN O=C([O-])NC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000740604751 602540976 /nfs/dbraw/zinc/54/09/76/602540976.db2.gz RZPUQPIOPHKTJT-OALUTQOASA-N 0 1 388.512 2.626 20 0 GFADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)C1 ZINC000738853245 602636999 /nfs/dbraw/zinc/63/69/99/602636999.db2.gz GFWXCBJFMFDITM-WMZOPIPTSA-N 0 1 380.533 2.671 20 0 GFADMN CC(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)NC(=O)[O-])cc1 ZINC000738882213 602655867 /nfs/dbraw/zinc/65/58/67/602655867.db2.gz KPMJYVFFNIHRJV-CRAIPNDOSA-N 0 1 376.501 2.760 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000740631094 602666947 /nfs/dbraw/zinc/66/69/47/602666947.db2.gz HTSIZALIVYXAHL-LBPRGKRZSA-N 0 1 394.269 2.701 20 0 GFADMN O=C([O-])N1CC[C@H](CCNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740428252 602708886 /nfs/dbraw/zinc/70/88/86/602708886.db2.gz PENNGIWUIAODIN-OALUTQOASA-N 0 1 388.512 2.588 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739176417 602775266 /nfs/dbraw/zinc/77/52/66/602775266.db2.gz DKCXPNCWZAIEOF-SCDSUCTJSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173145 602798601 /nfs/dbraw/zinc/79/86/01/602798601.db2.gz FTWPCHVVLILFIC-SUNKGSAMSA-N 0 1 384.274 2.754 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173145 602798603 /nfs/dbraw/zinc/79/86/03/602798603.db2.gz FTWPCHVVLILFIC-SUNKGSAMSA-N 0 1 384.274 2.754 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173144 602798618 /nfs/dbraw/zinc/79/86/18/602798618.db2.gz FTWPCHVVLILFIC-JTNHKYCSSA-N 0 1 384.274 2.754 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173144 602798620 /nfs/dbraw/zinc/79/86/20/602798620.db2.gz FTWPCHVVLILFIC-JTNHKYCSSA-N 0 1 384.274 2.754 20 0 GFADMN CN(C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1)C(=O)[O-] ZINC000739661300 602863731 /nfs/dbraw/zinc/86/37/31/602863731.db2.gz SLDPNSXEUKVKKK-WFASDCNBSA-N 0 1 385.386 2.742 20 0 GFADMN CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)[O-] ZINC000738782436 602942259 /nfs/dbraw/zinc/94/22/59/602942259.db2.gz FMYMCCCEWZTATP-FUHWJXTLSA-N 0 1 376.501 2.585 20 0 GFADMN C[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000740021740 603016073 /nfs/dbraw/zinc/01/60/73/603016073.db2.gz UHNRNPHNEQYOSW-UXIGCNINSA-N 0 1 387.402 2.861 20 0 GFADMN CC[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000826680383 603058149 /nfs/dbraw/zinc/05/81/49/603058149.db2.gz BBRCXUKSLILLCD-PBHICJAKSA-N 0 1 385.464 2.847 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000740555859 603066010 /nfs/dbraw/zinc/06/60/10/603066010.db2.gz CGLUHDJPTDGFJV-ZLPCBKJTSA-N 0 1 377.460 2.733 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H](CNC(=O)[O-])C2CC2)cc1 ZINC000739104230 603078317 /nfs/dbraw/zinc/07/83/17/603078317.db2.gz LOBYMFOQQKIIIK-BEFAXECRSA-N 0 1 388.512 2.906 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000739056365 603170639 /nfs/dbraw/zinc/17/06/39/603170639.db2.gz DQNZEOJXWWOWRB-OXJNMPFZSA-N 0 1 393.487 2.743 20 0 GFADMN CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739460682 603240161 /nfs/dbraw/zinc/24/01/61/603240161.db2.gz QKLVKIRCHQEYJN-PKOBYXMFSA-N 0 1 388.512 2.589 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000739678501 603248041 /nfs/dbraw/zinc/24/80/41/603248041.db2.gz FXYYEXLFIITSBC-UHFFFAOYSA-N 0 1 375.248 2.650 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])Cc1nc(-c2ccc(Br)s2)no1 ZINC000739678501 603248043 /nfs/dbraw/zinc/24/80/43/603248043.db2.gz FXYYEXLFIITSBC-UHFFFAOYSA-N 0 1 375.248 2.650 20 0 GFADMN C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000826042628 603266093 /nfs/dbraw/zinc/26/60/93/603266093.db2.gz QOUYURFVLHXIPI-KONPQCLYSA-N 0 1 391.512 2.635 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCCNC(=O)[O-])C1 ZINC000739110610 603280507 /nfs/dbraw/zinc/28/05/07/603280507.db2.gz NTVBRJQXNKXLNB-MRXNPFEDSA-N 0 1 376.501 2.718 20 0 GFADMN C[C@@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000824908025 603306180 /nfs/dbraw/zinc/30/61/80/603306180.db2.gz PRJCCMRBECRVCJ-OXJNMPFZSA-N 0 1 381.476 2.601 20 0 GFADMN C[C@@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000824908024 603306490 /nfs/dbraw/zinc/30/64/90/603306490.db2.gz PRJCCMRBECRVCJ-JXFKEZNVSA-N 0 1 381.476 2.601 20 0 GFADMN CCN(Cc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(=O)[O-] ZINC000739448256 603351686 /nfs/dbraw/zinc/35/16/86/603351686.db2.gz RFZPIRPZFLWAOR-GOSISDBHSA-N 0 1 392.500 2.665 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000826058533 603364628 /nfs/dbraw/zinc/36/46/28/603364628.db2.gz PMZGMBOBIBCQRT-QLFBSQMISA-N 0 1 378.473 2.636 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC2(NC(=O)[O-])CCCCC2)C1 ZINC000739559228 603372418 /nfs/dbraw/zinc/37/24/18/603372418.db2.gz XXHHEKVMZYYHIW-HNNXBMFYSA-N 0 1 377.489 2.763 20 0 GFADMN CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1nc2ccccc2s1 ZINC000739380511 603416147 /nfs/dbraw/zinc/41/61/47/603416147.db2.gz LQPNNUSOSMNMCA-CHWSQXEVSA-N 0 1 376.482 2.627 20 0 GFADMN CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c1nc2ccccc2s1 ZINC000739380511 603416149 /nfs/dbraw/zinc/41/61/49/603416149.db2.gz LQPNNUSOSMNMCA-CHWSQXEVSA-N 0 1 376.482 2.627 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000825976836 603497174 /nfs/dbraw/zinc/49/71/74/603497174.db2.gz XYBRUGZRDKTUTR-JLSDUUJJSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000825976836 603497177 /nfs/dbraw/zinc/49/71/77/603497177.db2.gz XYBRUGZRDKTUTR-JLSDUUJJSA-N 0 1 377.460 2.685 20 0 GFADMN CCN(CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1)C(=O)[O-] ZINC000827098836 603513887 /nfs/dbraw/zinc/51/38/87/603513887.db2.gz IBOKROBNEKAEOL-UHFFFAOYSA-N 0 1 388.424 2.677 20 0 GFADMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826047874 603519541 /nfs/dbraw/zinc/51/95/41/603519541.db2.gz GBXUJGHCTHLBEB-YJBOKZPZSA-N 0 1 386.496 2.711 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC(=O)[O-] ZINC000824785919 603526757 /nfs/dbraw/zinc/52/67/57/603526757.db2.gz IIZSYEYWCDSLLZ-DYESRHJHSA-N 0 1 388.512 2.730 20 0 GFADMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826087294 603538130 /nfs/dbraw/zinc/53/81/30/603538130.db2.gz KZJBCCJPDMMNDU-QAPCUYQASA-N 0 1 384.480 2.608 20 0 GFADMN Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000830824505 603656197 /nfs/dbraw/zinc/65/61/97/603656197.db2.gz LZOWLUIKQLAXNT-IAGOWNOFSA-N 0 1 377.489 2.582 20 0 GFADMN CN(C[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000828200138 603726614 /nfs/dbraw/zinc/72/66/14/603726614.db2.gz SFBLAMGAPOICIA-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000827099047 603778607 /nfs/dbraw/zinc/77/86/07/603778607.db2.gz KEOVJULALNBVQX-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN Cc1[nH+]ccn1CCCCNC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000830822999 603822259 /nfs/dbraw/zinc/82/22/59/603822259.db2.gz DLGHSHWNLGUCBZ-KRWDZBQOSA-N 0 1 377.489 2.536 20 0 GFADMN C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000824923225 603835185 /nfs/dbraw/zinc/83/51/85/603835185.db2.gz XABAFEPVJAAQMQ-HUBHPDRSSA-N 0 1 385.508 2.861 20 0 GFADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)C1 ZINC000828168711 603899581 /nfs/dbraw/zinc/89/95/81/603899581.db2.gz KLVULLMCWIUSAJ-SJLPKXTDSA-N 0 1 380.533 2.576 20 0 GFADMN CC(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000824110432 603900964 /nfs/dbraw/zinc/90/09/64/603900964.db2.gz JUOGCDYYQKGHLY-QZTJIDSGSA-N 0 1 376.501 2.585 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000828171291 603988138 /nfs/dbraw/zinc/98/81/38/603988138.db2.gz ZZBPPROOGOTDCN-CYBMUJFWSA-N 0 1 377.268 2.807 20 0 GFADMN C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CCN(C(=O)[O-])CC1 ZINC000828120629 603993529 /nfs/dbraw/zinc/99/35/29/603993529.db2.gz SPIIASZRWXNYHY-UHFFFAOYSA-N 0 1 392.456 2.962 20 0 GFADMN C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825134935 604099231 /nfs/dbraw/zinc/09/92/31/604099231.db2.gz GDKMBYMQBIGXEW-WDSOQIARSA-N 0 1 388.512 2.681 20 0 GFADMN O=C([O-])NCCCOC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000832632554 604108758 /nfs/dbraw/zinc/10/87/58/604108758.db2.gz JTDBVBIDDHODDL-UHFFFAOYSA-N 0 1 376.482 2.844 20 0 GFADMN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909765 604110032 /nfs/dbraw/zinc/11/00/32/604110032.db2.gz ZBRCZEUDBPTHMI-AWEZNQCLSA-N 0 1 376.482 2.713 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000829909765 604110033 /nfs/dbraw/zinc/11/00/33/604110033.db2.gz ZBRCZEUDBPTHMI-AWEZNQCLSA-N 0 1 376.482 2.713 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000828260226 604133380 /nfs/dbraw/zinc/13/33/80/604133380.db2.gz QRSBZYDSVUBQIQ-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000828260219 604133408 /nfs/dbraw/zinc/13/34/08/604133408.db2.gz QRSBZYDSVUBQIQ-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000825255308 604166369 /nfs/dbraw/zinc/16/63/69/604166369.db2.gz PXJHOWXLGDYSPT-STQMWFEESA-N 0 1 376.482 2.627 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000825255308 604166372 /nfs/dbraw/zinc/16/63/72/604166372.db2.gz PXJHOWXLGDYSPT-STQMWFEESA-N 0 1 376.482 2.627 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000825265230 604207617 /nfs/dbraw/zinc/20/76/17/604207617.db2.gz RCFHWVLCSYXKBM-NWDGAFQWSA-N 0 1 389.374 2.892 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000825265230 604207622 /nfs/dbraw/zinc/20/76/22/604207622.db2.gz 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GFADMN Cc1cc[nH+]c(N2CCN(C(=O)Nc3cccc4c3CCN4C(=O)[O-])CC2)c1 ZINC000830606945 604350261 /nfs/dbraw/zinc/35/02/61/604350261.db2.gz HGWYTCBRLMNZFB-UHFFFAOYSA-N 0 1 381.436 2.785 20 0 GFADMN O=C([O-])c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000833295657 604358089 /nfs/dbraw/zinc/35/80/89/604358089.db2.gz DYPXYRJMGXGCEG-ICSRJNTNSA-N 0 1 379.460 2.907 20 0 GFADMN Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000832967508 604367370 /nfs/dbraw/zinc/36/73/70/604367370.db2.gz GHAHPVWPIDRBML-VQTJNVASSA-N 0 1 379.460 2.565 20 0 GFADMN Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000832967508 604367375 /nfs/dbraw/zinc/36/73/75/604367375.db2.gz GHAHPVWPIDRBML-VQTJNVASSA-N 0 1 379.460 2.565 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090152 604384156 /nfs/dbraw/zinc/38/41/56/604384156.db2.gz QEVHKLDMIFACEX-UXHICEINSA-N 0 1 396.487 2.856 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090152 604384161 /nfs/dbraw/zinc/38/41/61/604384161.db2.gz QEVHKLDMIFACEX-UXHICEINSA-N 0 1 396.487 2.856 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CCO1 ZINC000825372244 604452013 /nfs/dbraw/zinc/45/20/13/604452013.db2.gz MBPJVEAFTJQUFB-BONVTDFDSA-N 0 1 380.242 2.859 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000832040894 604464787 /nfs/dbraw/zinc/46/47/87/604464787.db2.gz KVSWGKBOUPNNDE-CXAGYDPISA-N 0 1 394.468 2.676 20 0 GFADMN Cc1cncc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832985911 604557748 /nfs/dbraw/zinc/55/77/48/604557748.db2.gz CJVYSYAITBCUDB-UVIRAJKCSA-N 0 1 379.460 2.639 20 0 GFADMN Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000833745304 604590809 /nfs/dbraw/zinc/59/08/09/604590809.db2.gz BTSNFLOSNORNBC-IBGZPJMESA-N 0 1 382.460 2.830 20 0 GFADMN 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2.535 20 0 GFADMN Cc1cccc([C@H]2CCN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)c1 ZINC000826297845 608128016 /nfs/dbraw/zinc/12/80/16/608128016.db2.gz VCEJFCOJLYHCHO-ICSRJNTNSA-N 0 1 388.475 2.770 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825866062 608190678 /nfs/dbraw/zinc/19/06/78/608190678.db2.gz QENIBDGKRQACHY-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825866062 608190680 /nfs/dbraw/zinc/19/06/80/608190680.db2.gz QENIBDGKRQACHY-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN COCCc1nc(C)c([C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)s1 ZINC000826163469 608285526 /nfs/dbraw/zinc/28/55/26/608285526.db2.gz WKQHRFPTPDQOMK-SNVBAGLBSA-N 0 1 376.461 2.810 20 0 GFADMN O=C1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478979 608310784 /nfs/dbraw/zinc/31/07/84/608310784.db2.gz NNNCUQMGUXUSPU-VIFPVBQESA-N 0 1 392.847 2.616 20 0 GFADMN O=C1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478979 608310786 /nfs/dbraw/zinc/31/07/86/608310786.db2.gz NNNCUQMGUXUSPU-VIFPVBQESA-N 0 1 392.847 2.616 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824966429 608310830 /nfs/dbraw/zinc/31/08/30/608310830.db2.gz BAWHPOVOCWQKFU-DLBZAZTESA-N 0 1 390.491 2.531 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC2CCOCC2)c1-c1nnn[n-]1 ZINC000826332317 608317530 /nfs/dbraw/zinc/31/75/30/608317530.db2.gz QDKYLYYEJAFUMD-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCC2CCOCC2)c1-c1nnn[n-]1 ZINC000826332317 608317532 /nfs/dbraw/zinc/31/75/32/608317532.db2.gz QDKYLYYEJAFUMD-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC2CCOCC2)c1-c1nn[n-]n1 ZINC000826332317 608317534 /nfs/dbraw/zinc/31/75/34/608317534.db2.gz QDKYLYYEJAFUMD-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCC2CCOCC2)c1-c1nn[n-]n1 ZINC000826332317 608317536 /nfs/dbraw/zinc/31/75/36/608317536.db2.gz QDKYLYYEJAFUMD-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN COCC1(C)CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000826152617 608328044 /nfs/dbraw/zinc/32/80/44/608328044.db2.gz HJGYPKCORBKMBZ-LBPRGKRZSA-N 0 1 392.891 2.596 20 0 GFADMN CCCN1CCN(c2ccc(Nc3ccc(-c4nn[nH]n4)nn3)cc2Cl)CC1 ZINC000825328906 608403468 /nfs/dbraw/zinc/40/34/68/608403468.db2.gz YIJXCNOGZMGUQL-UHFFFAOYSA-N 0 1 399.890 2.586 20 0 GFADMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826282856 608443029 /nfs/dbraw/zinc/44/30/29/608443029.db2.gz DLGHEGMMIRTZKC-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN CCOc1ccccc1[C@H](CC)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825654234 608458236 /nfs/dbraw/zinc/45/82/36/608458236.db2.gz SVEDPYBKCRYECE-SFHVURJKSA-N 0 1 394.479 2.623 20 0 GFADMN O[C@H](CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)cc1F ZINC000826503115 608464669 /nfs/dbraw/zinc/46/46/69/608464669.db2.gz QSKQDGQDLOXJHS-LJQANCHMSA-N 0 1 383.402 2.968 20 0 GFADMN CCCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825341711 608468897 /nfs/dbraw/zinc/46/88/97/608468897.db2.gz IKJZXJRQXYWOGK-OAHLLOKOSA-N 0 1 394.479 2.623 20 0 GFADMN CC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000825139370 608470076 /nfs/dbraw/zinc/47/00/76/608470076.db2.gz FMFCINVILLMNLX-MRXNPFEDSA-N 0 1 381.436 2.887 20 0 GFADMN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553687 608481860 /nfs/dbraw/zinc/48/18/60/608481860.db2.gz FWISRQQPBRBWEE-GFCCVEGCSA-N 0 1 393.476 2.790 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029862 608493075 /nfs/dbraw/zinc/49/30/75/608493075.db2.gz RWUBRPXBMMGWTD-CHWSQXEVSA-N 0 1 378.436 2.747 20 0 GFADMN CCOc1c(OC)cc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000825604264 608525883 /nfs/dbraw/zinc/52/58/83/608525883.db2.gz GLXILEUGKCFOPM-UHFFFAOYSA-N 0 1 383.452 2.915 20 0 GFADMN CC(C)N(Cc1ccccc1)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824297699 608528862 /nfs/dbraw/zinc/52/88/62/608528862.db2.gz ZFAQAOJDCXEDFG-UHFFFAOYSA-N 0 1 390.491 2.883 20 0 GFADMN CC[C@@H]1Oc2cc([C@H](C)NCc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219106 608538327 /nfs/dbraw/zinc/53/83/27/608538327.db2.gz HNCPXADBBVEEAU-GTNSWQLSSA-N 0 1 396.426 2.966 20 0 GFADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000825323003 608548575 /nfs/dbraw/zinc/54/85/75/608548575.db2.gz MVYNDPNEFZROTH-UHFFFAOYSA-N 0 1 378.484 2.669 20 0 GFADMN C[C@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568578 608552856 /nfs/dbraw/zinc/55/28/56/608552856.db2.gz ASOCOGUIKVZJLY-AAEUAGOBSA-N 0 1 391.834 2.750 20 0 GFADMN CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011131 608568866 /nfs/dbraw/zinc/56/88/66/608568866.db2.gz YOGLUHYVBLFCII-BBRMVZONSA-N 0 1 388.884 2.643 20 0 GFADMN CN1C(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011131 608568868 /nfs/dbraw/zinc/56/88/68/608568868.db2.gz YOGLUHYVBLFCII-BBRMVZONSA-N 0 1 388.884 2.643 20 0 GFADMN Cc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1F ZINC000826287912 608590664 /nfs/dbraw/zinc/59/06/64/608590664.db2.gz JEHARZRBZKPMEP-UHFFFAOYSA-N 0 1 383.431 2.502 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983546 608701239 /nfs/dbraw/zinc/70/12/39/608701239.db2.gz BLLZMJVVDAZMEU-YPMHNXCESA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983546 608701243 /nfs/dbraw/zinc/70/12/43/608701243.db2.gz BLLZMJVVDAZMEU-YPMHNXCESA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983546 608701245 /nfs/dbraw/zinc/70/12/45/608701245.db2.gz BLLZMJVVDAZMEU-YPMHNXCESA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000824983546 608701248 /nfs/dbraw/zinc/70/12/48/608701248.db2.gz BLLZMJVVDAZMEU-YPMHNXCESA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547133 609154184 /nfs/dbraw/zinc/15/41/84/609154184.db2.gz MSXRUDGUFIGFGU-LIRRHRJNSA-N 0 1 394.454 2.848 20 0 GFADMN C[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547610 609168793 /nfs/dbraw/zinc/16/87/93/609168793.db2.gz QMAPQPGUHDLWBE-KPZWWZAWSA-N 0 1 398.417 2.991 20 0 GFADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825669448 609256331 /nfs/dbraw/zinc/25/63/31/609256331.db2.gz XYKAIPLVPITTMP-LBPRGKRZSA-N 0 1 389.456 2.650 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCc3cc(C)ccc32)cc1-c1nn[nH]n1 ZINC000826229413 609296853 /nfs/dbraw/zinc/29/68/53/609296853.db2.gz DBCFSTSFVLYEBY-UHFFFAOYSA-N 0 1 382.449 2.591 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(Cc2ccccc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826229763 609297238 /nfs/dbraw/zinc/29/72/38/609297238.db2.gz QKZJUKIFFUEMQV-UHFFFAOYSA-N 0 1 384.465 2.740 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1-c1nn[nH]n1 ZINC000826229842 609301107 /nfs/dbraw/zinc/30/11/07/609301107.db2.gz TYQCULVATYAPPT-UHFFFAOYSA-N 0 1 399.480 2.624 20 0 GFADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000826295317 609313374 /nfs/dbraw/zinc/31/33/74/609313374.db2.gz BXPUXALHVGKRSF-UHFFFAOYSA-N 0 1 380.433 2.833 20 0 GFADMN C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531888 609324151 /nfs/dbraw/zinc/32/41/51/609324151.db2.gz RFWXEVRNEWDBET-MGPUTAFESA-N 0 1 396.470 2.730 20 0 GFADMN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546238 609333940 /nfs/dbraw/zinc/33/39/40/609333940.db2.gz HSCHVKRHUFDIRT-DGCLKSJQSA-N 0 1 376.436 2.666 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000823821532 609358424 /nfs/dbraw/zinc/35/84/24/609358424.db2.gz WDAIRONCMAYVHW-UHFFFAOYSA-N 0 1 388.273 2.732 20 0 GFADMN OCC[C@H](NCc1ccccc1-c1nn[nH]n1)c1ccccc1Br ZINC000826509293 609384424 /nfs/dbraw/zinc/38/44/24/609384424.db2.gz RBLLOUPTWJXUEB-INIZCTEOSA-N 0 1 388.269 2.843 20 0 GFADMN Cc1cccc(NC[C@@H]2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)C2)n1 ZINC000826299440 609544669 /nfs/dbraw/zinc/54/46/69/609544669.db2.gz FLFIROLXWPIOBL-ZDUSSCGKSA-N 0 1 384.875 2.865 20 0 GFADMN Cc1cc(NC(=O)NC[C@H]2COCCN2)nn1-c1ccc(Cl)cc1Cl ZINC000528686711 650697898 /nfs/dbraw/zinc/69/78/98/650697898.db2.gz MDTTUJCWWCFTQE-LBPRGKRZSA-N 0 1 384.267 2.597 20 0 GFADMN Cc1cc(NC(=O)NC[C@@H]2COCCN2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000528689198 650697910 /nfs/dbraw/zinc/69/79/10/650697910.db2.gz TWJGXOQRSXJDPB-LLVKDONJSA-N 0 1 384.267 2.597 20 0 GFADMN O=C(NCc1cc(Cl)sc1Cl)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000537820663 650824020 /nfs/dbraw/zinc/82/40/20/650824020.db2.gz SJSDHNUKOQBWFB-UHFFFAOYSA-N 0 1 396.259 2.891 20 0 GFADMN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cccc(Br)n1 ZINC000817390541 660192954 /nfs/dbraw/zinc/19/29/54/660192954.db2.gz OLMFQKHIZLHKBL-ZDUSSCGKSA-N 0 1 385.283 2.844 20 0 GFADMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CSc1n[nH]c(=S)s1 ZINC000817625918 660203273 /nfs/dbraw/zinc/20/32/73/660203273.db2.gz SRPNAVFMTLYORR-UWVGGRQHSA-N 0 1 389.568 2.888 20 0 GFADMN 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C[NH+](C)Cc1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1Cl ZINC000281540118 655334719 /nfs/dbraw/zinc/33/47/19/655334719.db2.gz WSKLODALDPJMPN-UHFFFAOYSA-N 0 1 378.832 2.664 20 0 GFADMN C[C@](O)(CC(=O)NNC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000181776509 655340259 /nfs/dbraw/zinc/34/02/59/655340259.db2.gz IIOASWHIMQOZOB-HNNXBMFYSA-N 0 1 383.267 2.569 20 0 GFADMN O=C(CCc1cnc[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285596545 655343499 /nfs/dbraw/zinc/34/34/99/655343499.db2.gz AYGCLSYKAUQLIC-UHFFFAOYSA-N 0 1 379.214 2.598 20 0 GFADMN CN1CCCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000120850508 655345398 /nfs/dbraw/zinc/34/53/98/655345398.db2.gz OAHJDWUEUFLWIX-UHFFFAOYSA-N 0 1 378.641 2.722 20 0 GFADMN C[C@]1(O)CCCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000840059588 661128210 /nfs/dbraw/zinc/12/82/10/661128210.db2.gz ADAMLDNFDNIRHS-AEFFLSMTSA-N 0 1 381.314 2.959 20 0 GFADMN Cc1cnc([C@@H](NC[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C2CC2)s1 ZINC000185283382 655363501 /nfs/dbraw/zinc/36/35/01/655363501.db2.gz 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GFADMN CC(C)[C@@H](O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000840198076 661145900 /nfs/dbraw/zinc/14/59/00/661145900.db2.gz CPHOVTIWZIMBRE-AWEZNQCLSA-N 0 1 378.889 2.811 20 0 GFADMN CC(=O)[C@@H](NC(=O)CN[C@@H](c1cncc(Br)c1)C1CC1)C(C)C ZINC000578212181 655474149 /nfs/dbraw/zinc/47/41/49/655474149.db2.gz ZEHLUXHPUOCBRO-DLBZAZTESA-N 0 1 382.302 2.615 20 0 GFADMN CCC(CC)CS(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000578470896 655479678 /nfs/dbraw/zinc/47/96/78/655479678.db2.gz XORUUVGXMKBSBS-GOSISDBHSA-N 0 1 376.607 2.946 20 0 GFADMN COC(=O)[C@H](C)CSCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000265343518 655481756 /nfs/dbraw/zinc/48/17/56/655481756.db2.gz XZOXDPOBZWXAPX-CQSZACIVSA-N 0 1 382.551 2.716 20 0 GFADMN O=S(=O)(Nc1cnccc1-n1cccn1)c1cccc(Br)c1F ZINC000578974571 655490499 /nfs/dbraw/zinc/49/04/99/655490499.db2.gz UJHLZJZLGCNOEV-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNCc1cccc(Cl)c1Cl ZINC000579056071 655492620 /nfs/dbraw/zinc/49/26/20/655492620.db2.gz 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CCCCn1ncc(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)c1C ZINC000872357540 662761976 /nfs/dbraw/zinc/76/19/76/662761976.db2.gz CVAOFTSCDQMEFO-XMMPIXPASA-N 0 1 388.490 2.944 20 0 GFADMN CCn1ncc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C ZINC000872422137 662765446 /nfs/dbraw/zinc/76/54/46/662765446.db2.gz IECPUSKNFJONSN-UHFFFAOYSA-N 0 1 376.360 2.513 20 0 GFADMN Cc1cc2[nH]ncc2cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000872615120 662780907 /nfs/dbraw/zinc/78/09/07/662780907.db2.gz ZHPLKTJFBNMKFZ-YGRLFVJLSA-N 0 1 377.388 2.602 20 0 GFADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3)C2)cn1 ZINC000873645260 662811155 /nfs/dbraw/zinc/81/11/55/662811155.db2.gz LQLFGVZZLUYIFA-KBPBESRZSA-N 0 1 378.270 2.873 20 0 GFADMN CCc1cc(CNC(=O)C(=O)Nc2cc(CC)ccc2Br)n[nH]1 ZINC000873723597 662812635 /nfs/dbraw/zinc/81/26/35/662812635.db2.gz QJVHCUHGAPTCMF-UHFFFAOYSA-N 0 1 379.258 2.552 20 0 GFADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(O)c3Br)C2)cn1 ZINC000874049147 662821368 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663028969 /nfs/dbraw/zinc/02/89/69/663028969.db2.gz ZNXYCURBXXEDHT-SNVBAGLBSA-N 0 1 398.688 2.768 20 0 GFADMN COc1cc(CS(=O)(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)sn1 ZINC000882513072 663029799 /nfs/dbraw/zinc/02/97/99/663029799.db2.gz ZAMJHWOCENHENK-GFCCVEGCSA-N 0 1 384.527 2.708 20 0 GFADMN Cn1ncc(NS(=O)(=O)CCc2ccccc2Br)c1Cl ZINC000882763023 663040876 /nfs/dbraw/zinc/04/08/76/663040876.db2.gz ANHSCJZYKYMZPB-UHFFFAOYSA-N 0 1 378.679 2.820 20 0 GFADMN COc1cccc(OC(F)(F)F)c1S(=O)(=O)Nc1nn(C)cc1Cl ZINC000882796761 663042508 /nfs/dbraw/zinc/04/25/08/663042508.db2.gz UHVAMJPDTDVDQH-UHFFFAOYSA-N 0 1 385.751 2.782 20 0 GFADMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Br)ccc1OC(F)F ZINC000883413393 663054948 /nfs/dbraw/zinc/05/49/48/663054948.db2.gz MUUFPHFLMGGKRW-UHFFFAOYSA-N 0 1 396.184 2.500 20 0 GFADMN Cn1ncc(Br)c1CC(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000884279503 663068037 /nfs/dbraw/zinc/06/80/37/663068037.db2.gz METQGFLUEQQQQP-HNNXBMFYSA-N 0 1 397.704 2.552 20 0 GFADMN N[C@H](C(=O)NCc1cccnc1N1CCCC1)c1ccc(Br)cc1 ZINC000884399466 663070173 /nfs/dbraw/zinc/07/01/73/663070173.db2.gz FRXREBSJFNATLY-INIZCTEOSA-N 0 1 389.297 2.761 20 0 GFADMN Cc1cc(Br)ccc1CS(=O)(=O)NCc1n[nH]c(C(C)C)n1 ZINC000885213476 663086203 /nfs/dbraw/zinc/08/62/03/663086203.db2.gz BEZFGPWTQPHHOK-UHFFFAOYSA-N 0 1 387.303 2.619 20 0 GFADMN O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Br)c4ccccc4c3)C2)N1 ZINC000886178624 663104349 /nfs/dbraw/zinc/10/43/49/663104349.db2.gz AMKYFJYSCILWKT-SFHVURJKSA-N 0 1 388.265 2.776 20 0 GFADMN COC(=O)[C@]1(NCc2[nH]ncc2C)CCc2cc(Br)ccc2C1 ZINC000886296823 663107778 /nfs/dbraw/zinc/10/77/78/663107778.db2.gz BJYMVCBUBYWSMT-KRWDZBQOSA-N 0 1 378.270 2.671 20 0 GFADMN CCOC(=O)c1[nH]nc(NC(=O)c2cc(OC)c(Br)s2)c1C ZINC000888132188 663179769 /nfs/dbraw/zinc/17/97/69/663179769.db2.gz PHAPJECXKARRBN-UHFFFAOYSA-N 0 1 388.243 2.980 20 0 GFADMN Cc1nc(CNC(=O)CCc2nc3cc(Br)ccc3s2)n[nH]1 ZINC000889705221 663256688 /nfs/dbraw/zinc/25/66/88/663256688.db2.gz AWRJFEWGNFTKKV-UHFFFAOYSA-N 0 1 380.271 2.734 20 0 GFADMN CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1nc(CSC)n[nH]1)CCC2 ZINC000891089718 663324176 /nfs/dbraw/zinc/32/41/76/663324176.db2.gz SHWYVWVVDCFGEE-LLVKDONJSA-N 0 1 380.543 2.906 20 0 GFADMN CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1nnc(CSC)[nH]1)CCC2 ZINC000891089718 663324179 /nfs/dbraw/zinc/32/41/79/663324179.db2.gz SHWYVWVVDCFGEE-LLVKDONJSA-N 0 1 380.543 2.906 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000891092965 663324502 /nfs/dbraw/zinc/32/45/02/663324502.db2.gz CLYFMDHTLARBBB-LBPRGKRZSA-N 0 1 381.527 2.620 20 0 GFADMN CSCc1nnc(CNC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)[nH]1 ZINC000891092965 663324507 /nfs/dbraw/zinc/32/45/07/663324507.db2.gz CLYFMDHTLARBBB-LBPRGKRZSA-N 0 1 381.527 2.620 20 0 GFADMN C[C@@H](CNC(=O)NCc1cc(N)ccn1)Oc1ccccc1Br ZINC000891647348 663346229 /nfs/dbraw/zinc/34/62/29/663346229.db2.gz TWRHQRXIPAIYMM-NSHDSACASA-N 0 1 379.258 2.693 20 0 GFADMN COc1cc(CCNC(=O)N2CCc3sc(CN)nc3C2)ccc1Cl ZINC000891921706 663355517 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ZINC000894347187 663456233 /nfs/dbraw/zinc/45/62/33/663456233.db2.gz ZMSGMLFIBZUBHA-UHFFFAOYSA-N 0 1 391.313 2.861 20 0 GFADMN C[C@H](C[C@H](O)c1cccs1)NCc1c(I)cnn1C ZINC000894369899 663458709 /nfs/dbraw/zinc/45/87/09/663458709.db2.gz CNJROHXUUJRVOG-SKDRFNHKSA-N 0 1 391.278 2.688 20 0 GFADMN CCN(CCNC(=O)N1CC[C@@H](Cc2nccs2)C1)CCC(F)(F)F ZINC000894430540 663461295 /nfs/dbraw/zinc/46/12/95/663461295.db2.gz YVWDVZMIJPLYOY-ZDUSSCGKSA-N 0 1 378.464 2.991 20 0 GFADMN CC1([C@@H]2CCCN(Cc3sc(N4CCOCC4)nc3Cl)C2)OCCO1 ZINC000894450363 663462372 /nfs/dbraw/zinc/46/23/72/663462372.db2.gz ZMPVWQAAXBJDPX-CYBMUJFWSA-N 0 1 387.933 2.608 20 0 GFADMN Cc1cccc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)c1Br ZINC000894451815 663462444 /nfs/dbraw/zinc/46/24/44/663462444.db2.gz UVDLAOVWLHYDCK-UHFFFAOYSA-N 0 1 394.357 2.744 20 0 GFADMN Oc1cc(Br)cnc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000894518933 663466912 /nfs/dbraw/zinc/46/69/12/663466912.db2.gz UOAWJEZKOAXOHX-LBPRGKRZSA-N 0 1 394.269 2.650 20 0 GFADMN Oc1cc(Br)cnc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000894569044 663469276 /nfs/dbraw/zinc/46/92/76/663469276.db2.gz DQCLSKQHVWTRHI-HNNXBMFYSA-N 0 1 378.270 2.728 20 0 GFADMN [O-]c1cc(Br)cnc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000894569044 663469282 /nfs/dbraw/zinc/46/92/82/663469282.db2.gz DQCLSKQHVWTRHI-HNNXBMFYSA-N 0 1 378.270 2.728 20 0 GFADMN [O-]c1cc(Br)cnc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000894569044 663469286 /nfs/dbraw/zinc/46/92/86/663469286.db2.gz DQCLSKQHVWTRHI-HNNXBMFYSA-N 0 1 378.270 2.728 20 0 GFADMN CSCc1n[nH]c(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000894603486 663471330 /nfs/dbraw/zinc/47/13/30/663471330.db2.gz YNOTVKKQIMJZQR-SNVBAGLBSA-N 0 1 397.298 2.613 20 0 GFADMN CSCc1nnc(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)[nH]1 ZINC000894603486 663471331 /nfs/dbraw/zinc/47/13/31/663471331.db2.gz YNOTVKKQIMJZQR-SNVBAGLBSA-N 0 1 397.298 2.613 20 0 GFADMN NC(=O)c1cccc(CN(Cc2ncc(Br)cc2O)C2CC2)c1 ZINC000894681096 663475804 /nfs/dbraw/zinc/47/58/04/663475804.db2.gz FRUBQAWUPGTIPA-UHFFFAOYSA-N 0 1 376.254 2.813 20 0 GFADMN OC[C@@]1(F)CN(Cc2ncc(Br)cc2O)C[C@@H]1c1ccccc1 ZINC000894688285 663476222 /nfs/dbraw/zinc/47/62/22/663476222.db2.gz PTUNKXIPIJKZRM-PBHICJAKSA-N 0 1 381.245 2.850 20 0 GFADMN Cc1nc([C@H](C)NCc2c(F)ccc(I)c2F)n[nH]1 ZINC000894773720 663480666 /nfs/dbraw/zinc/48/06/66/663480666.db2.gz KDPLAAHQEPISSX-LURJTMIESA-N 0 1 378.164 2.847 20 0 GFADMN CCOC(=O)c1ncc(CNC[C@@H](O)c2ccccc2Br)s1 ZINC000894796825 663482092 /nfs/dbraw/zinc/48/20/92/663482092.db2.gz FDYTWZHKLFFXAW-CYBMUJFWSA-N 0 1 385.283 2.906 20 0 GFADMN CSc1ccc([C@@H](CNCc2nc(Br)nn2C)N(C)C)cc1 ZINC000894866000 663485623 /nfs/dbraw/zinc/48/56/23/663485623.db2.gz CIIKARYURJMTBG-CYBMUJFWSA-N 0 1 384.347 2.692 20 0 GFADMN CN(C)C(=O)C1(NCc2sc(N3CCOCC3)nc2Cl)CCCCC1 ZINC000894887370 663486737 /nfs/dbraw/zinc/48/67/37/663486737.db2.gz DXTDGOHDXVIJOV-UHFFFAOYSA-N 0 1 386.949 2.514 20 0 GFADMN Cc1nccc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1Br ZINC000895065424 663497487 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CC(C)Oc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)ccc1Br ZINC000896531597 663561364 /nfs/dbraw/zinc/56/13/64/663561364.db2.gz GQBHVFKTYYSGII-XJKSGUPXSA-N 0 1 398.345 2.600 20 0 GFADMN CC(C)Oc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)ccc1Br ZINC000896531593 663561507 /nfs/dbraw/zinc/56/15/07/663561507.db2.gz GQBHVFKTYYSGII-CJNGLKHVSA-N 0 1 398.345 2.600 20 0 GFADMN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1F)[C@@H]1CN(C)CCN1C ZINC000896546871 663563048 /nfs/dbraw/zinc/56/30/48/663563048.db2.gz ZJMONRWRZNSGHM-RNCFNFMXSA-N 0 1 392.700 2.606 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896566312 663564809 /nfs/dbraw/zinc/56/48/09/663564809.db2.gz YJWIICUGQFBKQW-LESCRADOSA-N 0 1 396.373 2.768 20 0 GFADMN C[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)[C@@H]1CN(C)CCN1C ZINC000896570109 663565663 /nfs/dbraw/zinc/56/56/63/663565663.db2.gz JOSJIRWAEWULBS-RISCZKNCSA-N 0 1 380.286 2.559 20 0 GFADMN C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000896579665 663565880 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396.329 2.533 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248976484 553137938 /nfs/dbraw/zinc/13/79/38/553137938.db2.gz DOJFBCARFMOTEU-NEPJUHHUSA-N 0 1 388.281 2.815 20 0 GFADMN C[C@H](CC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000249103133 553138954 /nfs/dbraw/zinc/13/89/54/553138954.db2.gz ONDJSSPBQFRDQQ-KFWWJZLASA-N 0 1 383.330 2.856 20 0 GFADMN C[C@H](O)CN1CCN(Cc2ncc(-c3cccc(Br)c3)o2)[C@@H](C)C1 ZINC000249283799 553141689 /nfs/dbraw/zinc/14/16/89/553141689.db2.gz NPDQXHUQCKAQPJ-KBPBESRZSA-N 0 1 394.313 2.991 20 0 GFADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000249396511 553142864 /nfs/dbraw/zinc/14/28/64/553142864.db2.gz BYLQYDCSAKMWTN-IAGOWNOFSA-N 0 1 396.373 2.848 20 0 GFADMN CCN(C[C@@H](O)COc1ccc(Cl)cc1Cl)C[C@@H](O)C(F)(F)F ZINC000249459682 553143418 /nfs/dbraw/zinc/14/34/18/553143418.db2.gz OOXWFUYUIPYISA-ZWNOBZJWSA-N 0 1 376.202 2.978 20 0 GFADMN O=S(=O)(NC[C@H]1NCCc2ccccc21)c1ccc(Br)s1 ZINC000261655378 553155388 /nfs/dbraw/zinc/15/53/88/553155388.db2.gz KCXAWQFWWZCZBX-GFCCVEGCSA-N 0 1 387.324 2.676 20 0 GFADMN Cc1ccc([C@@H](O)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261726896 553157326 /nfs/dbraw/zinc/15/73/26/553157326.db2.gz KPZLLCBILMESKG-WMZOPIPTSA-N 0 1 377.282 2.781 20 0 GFADMN CN(C(=O)CNC(=O)[C@](C)(N)c1ccc(Br)cc1)C1CCCCC1 ZINC000261773237 553158762 /nfs/dbraw/zinc/15/87/62/553158762.db2.gz OMMUJUJRDYSHQW-GOSISDBHSA-N 0 1 396.329 2.530 20 0 GFADMN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261837353 553160416 /nfs/dbraw/zinc/16/04/16/553160416.db2.gz UQLFBHLPIYHCDI-BTDLBPIBSA-N 0 1 380.286 2.975 20 0 GFADMN C[C@](N)(C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(Br)cc1 ZINC000261837298 553160464 /nfs/dbraw/zinc/16/04/64/553160464.db2.gz UPNKRXYGUJMETR-MAUKXSAKSA-N 0 1 390.281 2.917 20 0 GFADMN C[C@@](N)(C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccc(Br)cc1 ZINC000261846713 553161328 /nfs/dbraw/zinc/16/13/28/553161328.db2.gz VKFYDHMCTQSEOO-CJNGLKHVSA-N 0 1 396.310 2.680 20 0 GFADMN C[C@](N)(C(=O)NCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000261989583 553164264 /nfs/dbraw/zinc/16/42/64/553164264.db2.gz QYUWVARMMBVBQT-GOSISDBHSA-N 0 1 391.265 2.711 20 0 GFADMN O=C(C[C@H]1COCCN1)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000262217030 553167558 /nfs/dbraw/zinc/16/75/58/553167558.db2.gz ORYHFKDPABHSEG-AWEZNQCLSA-N 0 1 387.307 2.536 20 0 GFADMN O=C(C[C@@H]1COCCN1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000262221843 553167611 /nfs/dbraw/zinc/16/76/11/553167611.db2.gz PFBLZIBVFRKLNL-GFCCVEGCSA-N 0 1 382.283 2.890 20 0 GFADMN CN[C@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554149 553172401 /nfs/dbraw/zinc/17/24/01/553172401.db2.gz PEURQKHHPUUGBO-CJNGLKHVSA-N 0 1 383.279 2.667 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262693602 553174230 /nfs/dbraw/zinc/17/42/30/553174230.db2.gz WTARYVZUYFLLLB-GXTWGEPZSA-N 0 1 383.286 2.593 20 0 GFADMN O=S(=O)([N-]C1CC[NH2+]CC1)c1ccc(Br)c(Cl)c1Cl ZINC000262797741 553176437 /nfs/dbraw/zinc/17/64/37/553176437.db2.gz UNWLZADMXKECAA-UHFFFAOYSA-N 0 1 388.114 2.786 20 0 GFADMN C[C@](N)(C(=O)N1CCC(n2cc(Br)cn2)CC1)c1ccccc1 ZINC000262828317 553176892 /nfs/dbraw/zinc/17/68/92/553176892.db2.gz ZBTUXALPDMOFPH-QGZVFWFLSA-N 0 1 377.286 2.683 20 0 GFADMN CC(=O)N(CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC000262895029 553178327 /nfs/dbraw/zinc/17/83/27/553178327.db2.gz HJOKEKWBPMIBHX-INIZCTEOSA-N 0 1 383.286 2.737 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000263066505 553181567 /nfs/dbraw/zinc/18/15/67/553181567.db2.gz SNTQTWWEABKRQK-UHFFFAOYSA-N 0 1 388.295 2.773 20 0 GFADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000263361795 553186833 /nfs/dbraw/zinc/18/68/33/553186833.db2.gz SCOIKVZAIGXWKA-WDEREUQCSA-N 0 1 387.249 2.959 20 0 GFADMN C[C@@H](C(=O)NC1CC1)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263677508 553190670 /nfs/dbraw/zinc/19/06/70/553190670.db2.gz HMEWPZRSHXGWMB-LBPRGKRZSA-N 0 1 394.313 2.767 20 0 GFADMN C[C@H](CNC(=O)CCCOc1ccc(Cl)cc1Cl)N1CCN(C)CC1 ZINC000263765446 553192793 /nfs/dbraw/zinc/19/27/93/553192793.db2.gz MFZFMFMPDLSGMI-CQSZACIVSA-N 0 1 388.339 2.905 20 0 GFADMN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000263780032 553193579 /nfs/dbraw/zinc/19/35/79/553193579.db2.gz VITIDJKEJYQRES-UHFFFAOYSA-N 0 1 377.242 2.663 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000451913938 564366641 /nfs/dbraw/zinc/36/66/41/564366641.db2.gz YLJZOLOITFZPFO-AWEZNQCLSA-N 0 1 393.322 2.837 20 0 GFADMN Cn1ccc(N2CC[C@H](N[C@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000369500302 563215615 /nfs/dbraw/zinc/21/56/15/563215615.db2.gz KOLYCXJBLNCTEY-GJZGRUSLSA-N 0 1 375.270 2.565 20 0 GFADMN Cn1ccc(N2CC[C@H](N[C@@H]3CCc4c3cccc4Br)C2=O)n1 ZINC000369500301 563215747 /nfs/dbraw/zinc/21/57/47/563215747.db2.gz KOLYCXJBLNCTEY-CABCVRRESA-N 0 1 375.270 2.565 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)cc1F ZINC000369540334 563216646 /nfs/dbraw/zinc/21/66/46/563216646.db2.gz NGCCSJGRRLPGGN-YVEFUNNKSA-N 0 1 384.498 2.867 20 0 GFADMN Cc1c(Br)cccc1C(=O)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000369727760 563223667 /nfs/dbraw/zinc/22/36/67/563223667.db2.gz QOWHHWAODFJJRF-YOEHRIQHSA-N 0 1 381.314 2.988 20 0 GFADMN Cn1cc([C@@H]2[C@H](CNC(=O)c3nc(Cl)ccc3Cl)CCCN2C)cn1 ZINC000369819467 563225944 /nfs/dbraw/zinc/22/59/44/563225944.db2.gz OCWVKGXUQQITEK-ZBEGNZNMSA-N 0 1 382.295 2.935 20 0 GFADMN COCC[N@H+]1CCC[C@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418849031 563227384 /nfs/dbraw/zinc/22/73/84/563227384.db2.gz ACEADZROBOOPKB-QMMMGPOBSA-N 0 1 388.253 3.447 20 0 GFADMN COCCN1CCC[C@H]1CNc1nc(C(F)(F)F)c(Br)s1 ZINC000418849031 563227389 /nfs/dbraw/zinc/22/73/89/563227389.db2.gz ACEADZROBOOPKB-QMMMGPOBSA-N 0 1 388.253 3.447 20 0 GFADMN O=C(NCCc1ccc(F)c(Br)c1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370112691 563233858 /nfs/dbraw/zinc/23/38/58/563233858.db2.gz PSLLJCAZORIMPI-LBPRGKRZSA-N 0 1 396.264 2.838 20 0 GFADMN CC(C)(C)S(=O)(=O)CCNCc1ccc(I)cc1 ZINC000295217385 563236013 /nfs/dbraw/zinc/23/60/13/563236013.db2.gz QNUXWSAJVHMDNO-UHFFFAOYSA-N 0 1 381.279 2.594 20 0 GFADMN COc1cccc2c1C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000419333629 563237217 /nfs/dbraw/zinc/23/72/17/563237217.db2.gz SPUBQMVLHASNBW-RHSMWYFYSA-N 0 1 375.266 2.741 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cccc(Br)c1OC(F)F ZINC000419346756 563238678 /nfs/dbraw/zinc/23/86/78/563238678.db2.gz VVTYCJFZOCLGGT-NWDGAFQWSA-N 0 1 393.272 2.937 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000295284025 563240675 /nfs/dbraw/zinc/24/06/75/563240675.db2.gz MZCRIOBLIBGHAA-KGLIPLIRSA-N 0 1 380.491 2.792 20 0 GFADMN CCc1nc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC000295351579 563243202 /nfs/dbraw/zinc/24/32/02/563243202.db2.gz NKVQUXRQFZBVBJ-UHFFFAOYSA-N 0 1 389.257 2.554 20 0 GFADMN O=C(Nc1cc(F)ccc1Br)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000370469800 563245119 /nfs/dbraw/zinc/24/51/19/563245119.db2.gz FKOXKGVGGSCGFF-CABCVRRESA-N 0 1 386.265 2.651 20 0 GFADMN O=C(CCNC(=O)[C@H]1CCCc2[nH]cnc21)Nc1ccc(Br)cc1 ZINC000370493891 563245542 /nfs/dbraw/zinc/24/55/42/563245542.db2.gz XVTUVBAICKBJRH-ZDUSSCGKSA-N 0 1 391.269 2.737 20 0 GFADMN CC(=O)CSCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000278266060 563247319 /nfs/dbraw/zinc/24/73/19/563247319.db2.gz DOUBJCYNYALIMB-UHFFFAOYSA-N 0 1 376.444 2.918 20 0 GFADMN O=C(NCC1CCN(Cc2cnc(Br)s2)CC1)C(F)(F)F ZINC000295475764 563249866 /nfs/dbraw/zinc/24/98/66/563249866.db2.gz YJYUXMOGFDGEEG-UHFFFAOYSA-N 0 1 386.237 2.796 20 0 GFADMN O=C(NCc1ccccc1Br)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000370759960 563253886 /nfs/dbraw/zinc/25/38/86/563253886.db2.gz PFNVDHBJUUHICJ-RDJZCZTQSA-N 0 1 396.329 2.749 20 0 GFADMN O=C(NCCSCCCO)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000370734498 563253968 /nfs/dbraw/zinc/25/39/68/563253968.db2.gz GNVFHHQOHWMMBV-UHFFFAOYSA-N 0 1 376.975 2.845 20 0 GFADMN O=C(NCc1ccccc1Br)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000370759958 563254019 /nfs/dbraw/zinc/25/40/19/563254019.db2.gz PFNVDHBJUUHICJ-DOTOQJQBSA-N 0 1 396.329 2.749 20 0 GFADMN COc1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000370758662 563254059 /nfs/dbraw/zinc/25/40/59/563254059.db2.gz LCTYCUMRAIDYHO-GUYCJALGSA-N 0 1 397.313 2.688 20 0 GFADMN COC(=O)c1sc(S(=O)(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1Cl ZINC000278668785 563265632 /nfs/dbraw/zinc/26/56/32/563265632.db2.gz FRUCLMQUNRUIHS-GXSJLCMTSA-N 0 1 394.946 2.600 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(F)ccc1OC(F)F)N1CCC(C)CC1 ZINC000420661059 563270300 /nfs/dbraw/zinc/27/03/00/563270300.db2.gz KZNUUASFSAMSII-GFCCVEGCSA-N 0 1 380.432 2.826 20 0 GFADMN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000420662835 563270835 /nfs/dbraw/zinc/27/08/35/563270835.db2.gz KFSWIBZJVKIUDS-ZYHUDNBSSA-N 0 1 393.285 2.637 20 0 GFADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(C)c3F)C2)CC1 ZINC000278995497 563279720 /nfs/dbraw/zinc/27/97/20/563279720.db2.gz NAOXGFNPJXARTA-CQSZACIVSA-N 0 1 398.320 2.749 20 0 GFADMN CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000371588543 563282390 /nfs/dbraw/zinc/28/23/90/563282390.db2.gz NUWSVUFNQYIXLW-ZJUUUORDSA-N 0 1 375.230 2.679 20 0 GFADMN O=C(Cc1cc[nH]c(=O)c1Br)NC[C@H](c1ccco1)N1CCCC1 ZINC000279082433 563283231 /nfs/dbraw/zinc/28/32/31/563283231.db2.gz PYOURZQVZUREIE-CYBMUJFWSA-N 0 1 394.269 2.639 20 0 GFADMN COc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)nc1Br ZINC000371623663 563283776 /nfs/dbraw/zinc/28/37/76/563283776.db2.gz CXGBLNYTTZQVHO-NSHDSACASA-N 0 1 380.246 2.647 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000371769802 563287444 /nfs/dbraw/zinc/28/74/44/563287444.db2.gz NBLNHRFHDFYDBX-CZUORRHYSA-N 0 1 377.838 2.991 20 0 GFADMN CN1CCC[C@H](CNC(=O)CNCC(F)(F)F)[C@H]1c1cccc(Cl)c1 ZINC000371769802 563287447 /nfs/dbraw/zinc/28/74/47/563287447.db2.gz NBLNHRFHDFYDBX-CZUORRHYSA-N 0 1 377.838 2.991 20 0 GFADMN O=C1[C@H](Sc2nc(-c3ccc(Cl)cc3)n[nH]2)CCN1C1CCOCC1 ZINC000371825663 563288902 /nfs/dbraw/zinc/28/89/02/563288902.db2.gz XFAOOKNEJQEZBF-CQSZACIVSA-N 0 1 378.885 2.997 20 0 GFADMN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2n[nH]c(CC)c2Br)C1 ZINC000279241541 563289223 /nfs/dbraw/zinc/28/92/23/563289223.db2.gz ODWWXLQZAFGARI-NSHDSACASA-N 0 1 385.306 2.503 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000296503143 563289919 /nfs/dbraw/zinc/28/99/19/563289919.db2.gz ZKEUJBQQQDYZHU-QGZVFWFLSA-N 0 1 379.551 2.530 20 0 GFADMN Cc1nc2ccc(Br)cn2c1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296535485 563291248 /nfs/dbraw/zinc/29/12/48/563291248.db2.gz XEIKMMCFUNDPOQ-GFCCVEGCSA-N 0 1 389.257 2.891 20 0 GFADMN O[C@@H](COc1ccc(Cl)cc1Br)CN1CC[C@@]12CCOC2 ZINC000421027086 563293600 /nfs/dbraw/zinc/29/36/00/563293600.db2.gz UJCRYTJQEGWUPQ-DOMZBBRYSA-N 0 1 376.678 2.707 20 0 GFADMN C[C@H](NC(=O)NCCCCN1CCOCC1)c1nc(C(F)(F)F)cs1 ZINC000279473829 563297491 /nfs/dbraw/zinc/29/74/91/563297491.db2.gz KDKOZFCVVCHTOQ-NSHDSACASA-N 0 1 380.436 2.635 20 0 GFADMN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1OC(F)F ZINC000421152639 563298245 /nfs/dbraw/zinc/29/82/45/563298245.db2.gz LBCMEPMYDMXDAT-UHFFFAOYSA-N 0 1 389.277 2.987 20 0 GFADMN O=C(NCc1noc(-c2cccc(Br)c2)n1)c1[nH]nc2c1CCC2 ZINC000279524046 563299807 /nfs/dbraw/zinc/29/98/07/563299807.db2.gz GIKVCTXHIAHXAW-UHFFFAOYSA-N 0 1 388.225 2.641 20 0 GFADMN Cc1cc(CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)n[nH]1 ZINC000279618783 563303531 /nfs/dbraw/zinc/30/35/31/563303531.db2.gz RWKUDGYEEMHWCU-UHFFFAOYSA-N 0 1 391.269 2.898 20 0 GFADMN CN1CC[C@@H](CNS(=O)(=O)c2cc(F)ccc2Cl)[C@@H]1c1cccnc1 ZINC000372432970 563306155 /nfs/dbraw/zinc/30/61/55/563306155.db2.gz ZDYMIWRVGFUOPR-GUYCJALGSA-N 0 1 383.876 2.845 20 0 GFADMN CS(=O)(=O)C1(C(=O)Nc2cc(Cl)cc(Br)c2O)CCC1 ZINC000279771080 563309684 /nfs/dbraw/zinc/30/96/84/563309684.db2.gz AGWMTEKJWMKTRZ-UHFFFAOYSA-N 0 1 382.663 2.714 20 0 GFADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(S(C)(=O)=O)s3)cccc21 ZINC000421565432 563314350 /nfs/dbraw/zinc/31/43/50/563314350.db2.gz VJNIKUUFBBFBSP-CYBMUJFWSA-N 0 1 380.491 2.789 20 0 GFADMN O=C(CCCOc1ccc(Cl)cc1Cl)NCCN1CCC(O)CC1 ZINC000297071225 563314866 /nfs/dbraw/zinc/31/48/66/563314866.db2.gz VLLHWTRDOBCGNY-UHFFFAOYSA-N 0 1 375.296 2.725 20 0 GFADMN CCN(Cc1ccccc1Br)C(=O)NCCN1CCCOCC1 ZINC000297106245 563315460 /nfs/dbraw/zinc/31/54/60/563315460.db2.gz OELIWAREVUJOLR-UHFFFAOYSA-N 0 1 384.318 2.703 20 0 GFADMN COCCOC[C@@H](O)CN1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000297149582 563317314 /nfs/dbraw/zinc/31/73/14/563317314.db2.gz OGAGYFIIPHWXJX-GOEBONIOSA-N 0 1 388.302 2.619 20 0 GFADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000279986916 563317499 /nfs/dbraw/zinc/31/74/99/563317499.db2.gz DZWXAZNNGRWXQK-ZDUSSCGKSA-N 0 1 376.507 2.973 20 0 GFADMN Cc1nc([C@H](C)NC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000297220686 563320121 /nfs/dbraw/zinc/32/01/21/563320121.db2.gz FDIYJCZIEQWSCN-QMMMGPOBSA-N 0 1 385.255 2.809 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)NCC1(c2ccccc2Br)CC1 ZINC000297347975 563324139 /nfs/dbraw/zinc/32/41/39/563324139.db2.gz SXMCJZHMSRVGCJ-UHFFFAOYSA-N 0 1 390.285 2.976 20 0 GFADMN C[C@@H](CNC(=O)N1CCOC[C@H]1c1nnc[nH]1)c1c(Cl)cccc1Cl ZINC000297780597 563335913 /nfs/dbraw/zinc/33/59/13/563335913.db2.gz UYOFSTWPWQXGHF-GWCFXTLKSA-N 0 1 384.267 2.998 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 ZINC000280502716 563340601 /nfs/dbraw/zinc/34/06/01/563340601.db2.gz PNCCXVLHAISHIX-VIFPVBQESA-N 0 1 379.251 2.967 20 0 GFADMN Cc1cc(C)nc(C2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)n1 ZINC000373586807 563343199 /nfs/dbraw/zinc/34/31/99/563343199.db2.gz CGBDOFFVKSKWLP-UHFFFAOYSA-N 0 1 381.552 2.732 20 0 GFADMN CN(C)CCCN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000298107973 563344899 /nfs/dbraw/zinc/34/48/99/563344899.db2.gz OILMFMQDTCOFKJ-ZDUSSCGKSA-N 0 1 393.336 2.574 20 0 GFADMN CCc1nc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000298138698 563345605 /nfs/dbraw/zinc/34/56/05/563345605.db2.gz AGQWEGQDOUYMTC-JOYOIKCWSA-N 0 1 382.237 2.624 20 0 GFADMN COc1ccc(Br)cc1CN(C)C[C@H](O)COCCOC(C)C ZINC000298204739 563347573 /nfs/dbraw/zinc/34/75/73/563347573.db2.gz NDKDYQKBUGRMBS-INIZCTEOSA-N 0 1 390.318 2.692 20 0 GFADMN CSc1nc(C)c(CCC(=O)NC[C@H](c2ccsc2)N(C)C)c(=O)[nH]1 ZINC000298374065 563353404 /nfs/dbraw/zinc/35/34/04/563353404.db2.gz OQTAUFAQPGZPNZ-CQSZACIVSA-N 0 1 380.539 2.626 20 0 GFADMN C[C@@H]1CN(C2CCN(C(=O)c3cc(Br)ccc3F)CC2)CCO1 ZINC000373947661 563355974 /nfs/dbraw/zinc/35/59/74/563355974.db2.gz VBZGOFOJWFQYRE-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423116528 563356458 /nfs/dbraw/zinc/35/64/58/563356458.db2.gz QFJVWNAEZDNBTH-FPMFFAJLSA-N 0 1 384.307 2.866 20 0 GFADMN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)n[nH]1 ZINC000280893211 563359687 /nfs/dbraw/zinc/35/96/87/563359687.db2.gz PDGGZXRBHKTCSG-ZWNOBZJWSA-N 0 1 385.921 2.731 20 0 GFADMN CC(C)c1nc(CNC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)n[nH]1 ZINC000298573778 563360464 /nfs/dbraw/zinc/36/04/64/563360464.db2.gz KRYAZOKAIYZDPW-CYBMUJFWSA-N 0 1 396.289 2.566 20 0 GFADMN C[C@H]1CNCCN1C(=O)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000423604768 563362185 /nfs/dbraw/zinc/36/21/85/563362185.db2.gz IXXSQXCELIREDW-LBPRGKRZSA-N 0 1 384.307 2.520 20 0 GFADMN CN(C)[C@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1ccsc1 ZINC000298667330 563363481 /nfs/dbraw/zinc/36/34/81/563363481.db2.gz RGHKWVHSEWIGMY-OAHLLOKOSA-N 0 1 382.511 2.544 20 0 GFADMN CC1(C)Cc2cccc(S(=O)(=O)Nc3cccc(S(C)(=O)=O)c3)c2O1 ZINC000374488611 563373843 /nfs/dbraw/zinc/37/38/43/563373843.db2.gz NKFZXVOZDAFRSA-UHFFFAOYSA-N 0 1 381.475 2.604 20 0 GFADMN CN1C(=O)CC[C@@H](NCc2cc(Br)cc(C(F)(F)F)c2)C1=O ZINC000424214252 563374105 /nfs/dbraw/zinc/37/41/05/563374105.db2.gz XDVHAPWVZSIOOU-LLVKDONJSA-N 0 1 379.176 2.705 20 0 GFADMN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](N2CCCCC2)C1 ZINC000374683692 563379980 /nfs/dbraw/zinc/37/99/80/563379980.db2.gz SDZNASZHXNSUSA-ZDUSSCGKSA-N 0 1 377.432 2.739 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000374776899 563381939 /nfs/dbraw/zinc/38/19/39/563381939.db2.gz KOVCJMRTZVYGOM-LLVKDONJSA-N 0 1 386.955 2.745 20 0 GFADMN COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000424569381 563382451 /nfs/dbraw/zinc/38/24/51/563382451.db2.gz UWMNUTGCZOOIEK-CQSZACIVSA-N 0 1 399.329 2.853 20 0 GFADMN COc1ncc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1Br ZINC000424760358 563390704 /nfs/dbraw/zinc/39/07/04/563390704.db2.gz VCNLKUYCEMSLHV-UHFFFAOYSA-N 0 1 379.258 2.904 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)CCCN1c1cnn(C)c(=O)c1Br ZINC000301348723 563400584 /nfs/dbraw/zinc/40/05/84/563400584.db2.gz KOXDIIMXTGMIHS-AWEZNQCLSA-N 0 1 391.313 2.644 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1Cl ZINC000425216232 563412124 /nfs/dbraw/zinc/41/21/24/563412124.db2.gz PZWZJTZBKHNYHA-GXFFZTMASA-N 0 1 379.309 2.717 20 0 GFADMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000375653873 563413193 /nfs/dbraw/zinc/41/31/93/563413193.db2.gz HDDVWSILPBNTPC-UHFFFAOYSA-N 0 1 382.873 2.619 20 0 GFADMN COc1cc2nccc(N(C)CCN3CCOCC3)c2cc1Br ZINC000425228209 563413524 /nfs/dbraw/zinc/41/35/24/563413524.db2.gz PYXOBIIEMIBWIN-UHFFFAOYSA-N 0 1 380.286 2.774 20 0 GFADMN COc1cc2nccc(NC[C@@H](O)C3CCOCC3)c2cc1Br ZINC000425238276 563414158 /nfs/dbraw/zinc/41/41/58/563414158.db2.gz URZDEYZNRGCYEP-MRXNPFEDSA-N 0 1 381.270 2.627 20 0 GFADMN CN(C)c1cc(Br)cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000425298144 563417162 /nfs/dbraw/zinc/41/71/62/563417162.db2.gz IWFJUPIKKLIKKB-JTQLQIEISA-N 0 1 395.257 2.624 20 0 GFADMN COC(=O)c1cnc([C@H](C)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349124 563418660 /nfs/dbraw/zinc/41/86/60/563418660.db2.gz FWMFBRQLKBPJMY-NEPJUHHUSA-N 0 1 382.507 2.788 20 0 GFADMN Brc1cncc(Br)c1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425359062 563419821 /nfs/dbraw/zinc/41/98/21/563419821.db2.gz RVNRUGLCLPLVPL-QMMMGPOBSA-N 0 1 387.079 2.714 20 0 GFADMN O=C(CCCCc1cn[nH]n1)N[C@H]1CCOc2c(Br)cccc21 ZINC000282692008 563421395 /nfs/dbraw/zinc/42/13/95/563421395.db2.gz DWTMAYVDIDNLBF-AWEZNQCLSA-N 0 1 379.258 2.920 20 0 GFADMN COc1ccc([C@H](C)N[C@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958337 563425035 /nfs/dbraw/zinc/42/50/35/563425035.db2.gz CAMJNCGYVLXFDL-FZMZJTMJSA-N 0 1 393.285 2.647 20 0 GFADMN CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425548535 563427233 /nfs/dbraw/zinc/42/72/33/563427233.db2.gz MZPOUFATLMNGND-YGRLFVJLSA-N 0 1 397.248 2.800 20 0 GFADMN Cc1nnc(SCC(=O)N[C@H]2CCOc3c(Br)cccc32)[nH]1 ZINC000282863467 563427607 /nfs/dbraw/zinc/42/76/07/563427607.db2.gz UADFVDWVSLHKSR-NSHDSACASA-N 0 1 383.271 2.608 20 0 GFADMN Cc1n[nH]c(SCC(=O)N[C@H]2CCOc3c(Br)cccc32)n1 ZINC000282863467 563427609 /nfs/dbraw/zinc/42/76/09/563427609.db2.gz UADFVDWVSLHKSR-NSHDSACASA-N 0 1 383.271 2.608 20 0 GFADMN CN1CCN(C[C@H]2CCCN(c3nc(C(Cl)(Cl)Cl)ns3)C2)CC1 ZINC000376184523 563433038 /nfs/dbraw/zinc/43/30/38/563433038.db2.gz BJBHXOFIPPPPJJ-LLVKDONJSA-N 0 1 398.791 2.829 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000376225908 563433909 /nfs/dbraw/zinc/43/39/09/563433909.db2.gz LLASDZFHXSDTIN-BDXSIMOUSA-N 0 1 393.325 2.610 20 0 GFADMN COc1c(Br)cc(CN[C@@H]2CC(=O)N(C)C2)cc1Br ZINC000312123926 563435726 /nfs/dbraw/zinc/43/57/26/563435726.db2.gz XTJZDADIULGVLA-SECBINFHSA-N 0 1 392.091 2.541 20 0 GFADMN COc1cc(Br)c(CN2CCC[C@H](CN3CCOCC3)C2)cc1O ZINC000283131272 563435903 /nfs/dbraw/zinc/43/59/03/563435903.db2.gz WAXPRZOXDCSSBU-CQSZACIVSA-N 0 1 399.329 2.708 20 0 GFADMN CNC(=O)NC(=O)[C@@H](C)N1CCC(c2ccc(Br)c(C)c2)CC1 ZINC000425933209 563440522 /nfs/dbraw/zinc/44/05/22/563440522.db2.gz YEHAXXGZNCBVDP-GFCCVEGCSA-N 0 1 382.302 2.781 20 0 GFADMN COC(=O)c1ccc(CN[C@H](CO)Cc2ccccc2)c(Br)c1 ZINC000323230997 563451022 /nfs/dbraw/zinc/45/10/22/563451022.db2.gz XWWUCVZZGYJKNG-INIZCTEOSA-N 0 1 378.266 2.929 20 0 GFADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283959579 563460361 /nfs/dbraw/zinc/46/03/61/563460361.db2.gz HXTUZILQPZDUAC-NXEZZACHSA-N 0 1 385.251 2.876 20 0 GFADMN CN(C)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000377208519 563466449 /nfs/dbraw/zinc/46/64/49/563466449.db2.gz KCGDWNITPIEXGF-KSSFIOAISA-N 0 1 379.551 2.785 20 0 GFADMN Ic1ccc2ncnc(N[C@@H]3CCc4[nH]cnc4C3)c2c1 ZINC000377332177 563470516 /nfs/dbraw/zinc/47/05/16/563470516.db2.gz VRHYPIVEMLOWRV-SNVBAGLBSA-N 0 1 391.216 2.927 20 0 GFADMN CCn1cc([C@@H](C)NCC(=O)Nc2ccc(I)cc2)cn1 ZINC000284387297 563473291 /nfs/dbraw/zinc/47/32/91/563473291.db2.gz PBKXZXIJEFKNDK-LLVKDONJSA-N 0 1 398.248 2.797 20 0 GFADMN CO[C@@H](c1noc([C@@H]2C[C@@H]2c2nc[nH]n2)n1)c1ccc(Br)cc1 ZINC000377460889 563475848 /nfs/dbraw/zinc/47/58/48/563475848.db2.gz QYKXCIKVMQDOAU-QJPTWQEYSA-N 0 1 376.214 2.957 20 0 GFADMN O=C(Cc1noc([C@@H]2C[C@H]2c2nc[nH]n2)n1)Nc1cccc(Cl)c1Cl ZINC000377472785 563475869 /nfs/dbraw/zinc/47/58/69/563475869.db2.gz SHYVUKWANBMCGA-HTQZYQBOSA-N 0 1 379.207 2.947 20 0 GFADMN O=C(CN[C@@H](c1ccc(Br)cc1)C1CCC1)N1CCNC(=O)C1 ZINC000329257697 563476941 /nfs/dbraw/zinc/47/69/41/563476941.db2.gz DCYGFAQYYWXVMA-QGZVFWFLSA-N 0 1 380.286 2.679 20 0 GFADMN Cc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(Br)c1 ZINC000284480412 563477150 /nfs/dbraw/zinc/47/71/50/563477150.db2.gz IXYDWWIVGNQFHV-CRAIPNDOSA-N 0 1 391.313 2.943 20 0 GFADMN COc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1NC(N)=O ZINC000427945807 563479065 /nfs/dbraw/zinc/47/90/65/563479065.db2.gz SLDTWFUASVESGX-UHFFFAOYSA-N 0 1 380.198 2.906 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428191256 563484753 /nfs/dbraw/zinc/48/47/53/563484753.db2.gz JPRJQTZZUWDARK-BXUZGUMPSA-N 0 1 385.327 2.680 20 0 GFADMN O=C(CCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1cccc(Br)c1 ZINC000284674485 563485061 /nfs/dbraw/zinc/48/50/61/563485061.db2.gz DXEKSRSDBMILIY-ZACQAIPSSA-N 0 1 397.313 2.640 20 0 GFADMN Cn1nccc1[C@H]1[C@H](NCc2cc(F)ccc2Br)CCC(=O)N1C ZINC000284682931 563486272 /nfs/dbraw/zinc/48/62/72/563486272.db2.gz XJZPHSXIURSASE-RHSMWYFYSA-N 0 1 395.276 2.773 20 0 GFADMN C[N@H+]1CC[C@H]2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[n-]s3)[C@@H]2C1 ZINC000329778836 563487730 /nfs/dbraw/zinc/48/77/30/563487730.db2.gz LLSAUABECZMQHR-SMDDNHRTSA-N 0 1 377.901 2.838 20 0 GFADMN NS(=O)(=O)c1cnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000428710173 563500407 /nfs/dbraw/zinc/50/04/07/563500407.db2.gz RYGWBQHKTNEVTG-NSHDSACASA-N 0 1 383.886 2.662 20 0 GFADMN Cc1cccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1I ZINC000378310476 563501754 /nfs/dbraw/zinc/50/17/54/563501754.db2.gz JADDLCXSCFWUMX-SNVBAGLBSA-N 0 1 381.217 2.610 20 0 GFADMN O=C(NCCCCN1CCOCC1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000285116964 563503641 /nfs/dbraw/zinc/50/36/41/563503641.db2.gz JRYMTKHCGBXDEO-UHFFFAOYSA-N 0 1 399.304 2.848 20 0 GFADMN CC1(C)CC[C@@H](CNC(=O)c2n[nH]c3ccc(I)cc32)O1 ZINC000428889718 563504280 /nfs/dbraw/zinc/50/42/80/563504280.db2.gz RPGKGZHKLYFQIL-JTQLQIEISA-N 0 1 399.232 2.855 20 0 GFADMN CN1CCN(Cc2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2)CC1 ZINC000428904723 563504292 /nfs/dbraw/zinc/50/42/92/563504292.db2.gz IPUAOZJQIPMUFO-UHFFFAOYSA-N 0 1 377.897 2.970 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(Br)ccc1F ZINC000330609187 563513033 /nfs/dbraw/zinc/51/30/33/563513033.db2.gz NMSLQKREUSBBQK-ZIAGYGMSSA-N 0 1 379.295 2.538 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000390433397 563522970 /nfs/dbraw/zinc/52/29/70/563522970.db2.gz VDACNMVBSUTEHN-CYBMUJFWSA-N 0 1 383.286 2.594 20 0 GFADMN C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[C@H](C)[NH3+] ZINC000394536974 563530411 /nfs/dbraw/zinc/53/04/11/563530411.db2.gz VCQVIFAGIUKBNW-NTSWFWBYSA-N 0 1 376.103 2.770 20 0 GFADMN OC1(CCNCc2ncc(Br)cc2Br)CCOCC1 ZINC000285642334 563529954 /nfs/dbraw/zinc/52/99/54/563529954.db2.gz XWDKXVDQDYXJOW-UHFFFAOYSA-N 0 1 394.107 2.628 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(C)C)C2)cc1Br ZINC000331030860 563532337 /nfs/dbraw/zinc/53/23/37/563532337.db2.gz GBGSONKFLLHMNK-GFCCVEGCSA-N 0 1 391.331 2.609 20 0 GFADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000405097751 563537837 /nfs/dbraw/zinc/53/78/37/563537837.db2.gz UCPHLENXAMDSCF-GFCCVEGCSA-N 0 1 379.295 2.693 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1Br ZINC000331164412 563538665 /nfs/dbraw/zinc/53/86/65/563538665.db2.gz GHPJIVVGCJOJRA-UONOGXRCSA-N 0 1 379.295 2.538 20 0 GFADMN COc1ccc(Br)c(CN(C)C(=O)CSc2nnc(C)[nH]2)c1 ZINC000430202849 563538831 /nfs/dbraw/zinc/53/88/31/563538831.db2.gz YOHHFTFNUNIBHK-UHFFFAOYSA-N 0 1 385.287 2.635 20 0 GFADMN COc1ccc(Br)c(CN(C)C(=O)CSc2nc(C)n[nH]2)c1 ZINC000430202849 563538833 /nfs/dbraw/zinc/53/88/33/563538833.db2.gz YOHHFTFNUNIBHK-UHFFFAOYSA-N 0 1 385.287 2.635 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCN(C(C)C)C2)c1 ZINC000331223553 563541590 /nfs/dbraw/zinc/54/15/90/563541590.db2.gz LTOYQOJJLKHXJT-ZDUSSCGKSA-N 0 1 391.331 2.609 20 0 GFADMN Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Br)cn2n1 ZINC000430349684 563541672 /nfs/dbraw/zinc/54/16/72/563541672.db2.gz BKARQZBWDUHULU-UHFFFAOYSA-N 0 1 385.218 2.740 20 0 GFADMN OC[C@H](Cc1ccc(F)cc1)NCc1ncc(I)s1 ZINC000286059460 563547004 /nfs/dbraw/zinc/54/70/04/563547004.db2.gz RKSXEGRIENFDDD-NSHDSACASA-N 0 1 392.237 2.580 20 0 GFADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(C(=O)OC)cs2)cc1 ZINC000286073729 563547599 /nfs/dbraw/zinc/54/75/99/563547599.db2.gz MAAPHCAWUJBTSH-NWDGAFQWSA-N 0 1 382.507 2.855 20 0 GFADMN CC(C)(CCC[NH3+])[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000431030576 563552342 /nfs/dbraw/zinc/55/23/42/563552342.db2.gz ORQGSARWJOTRBA-UHFFFAOYSA-N 0 1 375.741 2.960 20 0 GFADMN O=S(=O)(NC1CCN(C2CC2)CC1)c1c(F)cccc1OC(F)(F)F ZINC000286562018 563565471 /nfs/dbraw/zinc/56/54/71/563565471.db2.gz IMCLBCCUMWQYTG-UHFFFAOYSA-N 0 1 382.379 2.629 20 0 GFADMN C[C@H]([C@@H](C)C(=O)Nc1cc(Cl)cc(Br)c1O)S(C)(=O)=O ZINC000431864481 563570126 /nfs/dbraw/zinc/57/01/26/563570126.db2.gz WYNRUVPUJYEILF-RNFRBKRXSA-N 0 1 384.679 2.816 20 0 GFADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286734631 563572751 /nfs/dbraw/zinc/57/27/51/563572751.db2.gz TXRVIYNFCZVXSO-UHFFFAOYSA-N 0 1 379.448 2.841 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(Br)c1 ZINC000332071584 563574345 /nfs/dbraw/zinc/57/43/45/563574345.db2.gz WTAMTRYLRKAACF-DZGCQCFKSA-N 0 1 394.313 2.557 20 0 GFADMN COc1cc(NC(=O)NCCN2CC=CCC2)cc(OC)c1Br ZINC000432344261 563581490 /nfs/dbraw/zinc/58/14/90/563581490.db2.gz CNHCKVYXSPHPCY-UHFFFAOYSA-N 0 1 384.274 2.850 20 0 GFADMN COCc1nc2cc(NS(=O)(=O)c3cncc(Br)c3)ccc2o1 ZINC000432382547 563583018 /nfs/dbraw/zinc/58/30/18/563583018.db2.gz VXRNAYNWVRRKBK-UHFFFAOYSA-N 0 1 398.238 2.933 20 0 GFADMN C[C@@H](NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1)c1ccc(Br)cn1 ZINC000332203610 563583174 /nfs/dbraw/zinc/58/31/74/563583174.db2.gz QXMWYUMNHSWQDV-GHMZBOCLSA-N 0 1 379.262 2.612 20 0 GFADMN COC(=O)c1c(Br)ccc(NC(=O)NCCN2CC=CCC2)c1C ZINC000432564202 563587146 /nfs/dbraw/zinc/58/71/46/563587146.db2.gz ZXTUYGXKGCONJT-UHFFFAOYSA-N 0 1 396.285 2.928 20 0 GFADMN COc1cccc(S(=O)(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000287109527 563587493 /nfs/dbraw/zinc/58/74/93/563587493.db2.gz YJRJTYKLWXHRLF-SFHVURJKSA-N 0 1 383.897 2.836 20 0 GFADMN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000287256166 563593812 /nfs/dbraw/zinc/59/38/12/563593812.db2.gz JYTXUTTZDLRTIX-NWDGAFQWSA-N 0 1 380.901 2.727 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332466844 563600284 /nfs/dbraw/zinc/60/02/84/563600284.db2.gz SKIWPKWCKORYOI-GTNSWQLSSA-N 0 1 380.286 2.820 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000287436110 563601356 /nfs/dbraw/zinc/60/13/56/563601356.db2.gz GZSDPCXBPIDQRV-NEPJUHHUSA-N 0 1 382.917 2.546 20 0 GFADMN COC(=O)c1occc1CNC[C@H](CO)Cc1ccc(Br)cc1 ZINC000433053816 563602086 /nfs/dbraw/zinc/60/20/86/563602086.db2.gz SBODKNCXDNAKMD-CYBMUJFWSA-N 0 1 382.254 2.770 20 0 GFADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000433102778 563602692 /nfs/dbraw/zinc/60/26/92/563602692.db2.gz HITSBVCCURKNFT-ZDUSSCGKSA-N 0 1 386.209 2.571 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287508392 563604462 /nfs/dbraw/zinc/60/44/62/563604462.db2.gz UJFVZLDLSVELMP-UONOGXRCSA-N 0 1 394.313 2.720 20 0 GFADMN COCCN(CC(=O)NCc1cc(Cl)ccc1OC)[C@H]1CCCSC1 ZINC000433190021 563605632 /nfs/dbraw/zinc/60/56/32/563605632.db2.gz OOZMDHDQFNIFFT-INIZCTEOSA-N 0 1 386.945 2.809 20 0 GFADMN COC[C@@H](NCc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCCO1 ZINC000433203278 563606703 /nfs/dbraw/zinc/60/67/03/563606703.db2.gz AWEAZDIXJTXFQI-IAGOWNOFSA-N 0 1 380.286 2.918 20 0 GFADMN O[C@@H](CNCc1ccc(-c2cc[nH]n2)o1)COc1ccccc1Br ZINC000433317203 563609220 /nfs/dbraw/zinc/60/92/20/563609220.db2.gz KVSLPDIXHOOYFA-LBPRGKRZSA-N 0 1 392.253 2.962 20 0 GFADMN COCCCONC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000287803481 563618624 /nfs/dbraw/zinc/61/86/24/563618624.db2.gz LVSIARHCDCYOKS-CQSZACIVSA-N 0 1 378.372 2.521 20 0 GFADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccccc2Br)cn1 ZINC000433980839 563624010 /nfs/dbraw/zinc/62/40/10/563624010.db2.gz YWJGANZWWASIIN-WBVHZDCISA-N 0 1 377.286 2.775 20 0 GFADMN CSc1ccc(OC[C@H](O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000411634887 563626885 /nfs/dbraw/zinc/62/68/85/563626885.db2.gz MGYIHTQOZWOADF-XJKCOSOUSA-N 0 1 379.444 2.783 20 0 GFADMN CSc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000411716195 563631099 /nfs/dbraw/zinc/63/10/99/563631099.db2.gz FIIFZSJTALDEMD-IOASZLSFSA-N 0 1 379.444 2.641 20 0 GFADMN COC(=O)C[C@](C)(NCC(=O)N(C)C(C)C)c1ccc(Br)cc1 ZINC000411728743 563631499 /nfs/dbraw/zinc/63/14/99/563631499.db2.gz UEGDUYOJLTVOFI-KRWDZBQOSA-N 0 1 385.302 2.684 20 0 GFADMN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1Br ZINC000434562458 563632233 /nfs/dbraw/zinc/63/22/33/563632233.db2.gz VUJORWMNOCKYNF-HNNXBMFYSA-N 0 1 394.313 2.829 20 0 GFADMN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412044599 563646116 /nfs/dbraw/zinc/64/61/16/563646116.db2.gz QXJBUQVYEHTLOJ-JSGCOSHPSA-N 0 1 379.258 2.579 20 0 GFADMN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412044599 563646120 /nfs/dbraw/zinc/64/61/20/563646120.db2.gz QXJBUQVYEHTLOJ-JSGCOSHPSA-N 0 1 379.258 2.579 20 0 GFADMN C[C@@H]1[C@@H](CO)CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000412061301 563646223 /nfs/dbraw/zinc/64/62/23/563646223.db2.gz AFHPJYFHLIPHIO-VXGBXAGGSA-N 0 1 375.332 2.562 20 0 GFADMN O=C1[C@H]2CSCCN2C(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000349226850 563661859 /nfs/dbraw/zinc/66/18/59/563661859.db2.gz MBVDJEHAGKQASI-JKSUJKDBSA-N 0 1 379.913 2.857 20 0 GFADMN CC1=CCCN(CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000436262994 563668524 /nfs/dbraw/zinc/66/85/24/563668524.db2.gz RJMYTTLBMIABPM-UHFFFAOYSA-N 0 1 398.370 2.807 20 0 GFADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1csc(Cl)n1 ZINC000289392410 563673647 /nfs/dbraw/zinc/67/36/47/563673647.db2.gz PMLMMKULTHWWJK-UHFFFAOYSA-N 0 1 378.929 2.686 20 0 GFADMN Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(Br)cc1O ZINC000436611034 563674959 /nfs/dbraw/zinc/67/49/59/563674959.db2.gz YIFBJLAOFWANDO-UHFFFAOYSA-N 0 1 391.200 3.435 20 0 GFADMN O=C(C=c1[nH]c(=O)c(=Cc2cc(Cl)c(O)cc2Cl)s1)c1ccco1 ZINC000436767006 563679201 /nfs/dbraw/zinc/67/92/01/563679201.db2.gz AVPAOMNINNEZIN-UHFFFAOYSA-N 0 1 382.224 2.534 20 0 GFADMN C[C@]1(C[C@@H]2CCCN2Cc2csc(-c3cccs3)n2)NC(=O)NC1=O ZINC000289575498 563679422 /nfs/dbraw/zinc/67/94/22/563679422.db2.gz JRMANFGYALIYKL-YVEFUNNKSA-N 0 1 376.507 2.824 20 0 GFADMN CC(=O)c1ccc(O)c(NC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000436873334 563684080 /nfs/dbraw/zinc/68/40/80/563684080.db2.gz VVOUDKJGTKPCOG-UHFFFAOYSA-N 0 1 397.250 2.787 20 0 GFADMN Cn1ccc(N2CC[C@@H](N[C@@H]3CCc4c3cc(Br)cc4F)C2=O)n1 ZINC000361145360 563696952 /nfs/dbraw/zinc/69/69/52/563696952.db2.gz WCWHXJLLDNHELB-HUUCEWRRSA-N 0 1 393.260 2.704 20 0 GFADMN C[C@@H]1[C@H](CO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000413607346 563699178 /nfs/dbraw/zinc/69/91/78/563699178.db2.gz RGAVJMDKYSBBOF-MNOVXSKESA-N 0 1 381.274 2.628 20 0 GFADMN C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1nc(-c2cccc(F)c2)no1 ZINC000361375383 563699465 /nfs/dbraw/zinc/69/94/65/563699465.db2.gz BYEOKDQGJUIEDY-SSDOTTSWSA-N 0 1 397.482 2.985 20 0 GFADMN COc1ccc(Cl)cc1C[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000438078201 563701329 /nfs/dbraw/zinc/70/13/29/563701329.db2.gz 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394.541 2.744 20 0 GFADMN CN(C(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)c1nccs1 ZINC000739572374 602553058 /nfs/dbraw/zinc/55/30/58/602553058.db2.gz MXJWNGRKWVTUOK-MRXNPFEDSA-N 0 1 388.493 2.751 20 0 GFADMN CN(C(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)c1nccs1 ZINC000739572374 602553060 /nfs/dbraw/zinc/55/30/60/602553060.db2.gz MXJWNGRKWVTUOK-MRXNPFEDSA-N 0 1 388.493 2.751 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000739661692 602578159 /nfs/dbraw/zinc/57/81/59/602578159.db2.gz UCXNBBGATFEUBF-RYUDHWBXSA-N 0 1 377.268 2.665 20 0 GFADMN C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000739105261 602615185 /nfs/dbraw/zinc/61/51/85/602615185.db2.gz OQNPEMBCHKMRLK-HOTGVXAUSA-N 0 1 376.501 2.859 20 0 GFADMN CC(C)(C)[N@H+]1CCCN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CC1 ZINC000738702228 602698313 /nfs/dbraw/zinc/69/83/13/602698313.db2.gz WARZOTSOECBTIC-UHFFFAOYSA-N 0 1 376.501 2.749 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000740729790 602719076 /nfs/dbraw/zinc/71/90/76/602719076.db2.gz QXTZEZSAPQUKQF-AEFFLSMTSA-N 0 1 375.444 2.785 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC2)c1 ZINC000739944256 602832674 /nfs/dbraw/zinc/83/26/74/602832674.db2.gz DBSXKXCYESRPBN-HNNXBMFYSA-N 0 1 377.485 2.727 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739186000 602838390 /nfs/dbraw/zinc/83/83/90/602838390.db2.gz CKGNHWDMDHEULL-IVMQYODDSA-N 0 1 388.512 2.871 20 0 GFADMN Cc1ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000740139778 602973450 /nfs/dbraw/zinc/97/34/50/602973450.db2.gz ZNFMRUGQLCBSEO-UHFFFAOYSA-N 0 1 390.484 2.794 20 0 GFADMN Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)C1=O ZINC000740081734 602992227 /nfs/dbraw/zinc/99/22/27/602992227.db2.gz IQTBIJZKCCSELK-MAUKXSAKSA-N 0 1 377.460 2.951 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)C1 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564319260 /nfs/dbraw/zinc/31/92/60/564319260.db2.gz LFJNSVMACNAPIE-AWEZNQCLSA-N 0 1 388.917 2.540 20 0 GFADMN O=C(NCc1ccc2c(c1)C(=O)NCC2)c1n[nH]c2ccc(Br)cc21 ZINC000542675773 564320932 /nfs/dbraw/zinc/32/09/32/564320932.db2.gz CSHUFERWRQBPEN-UHFFFAOYSA-N 0 1 399.248 2.541 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)c2cc(C)ccc2I)n1 ZINC000510019140 564321995 /nfs/dbraw/zinc/32/19/95/564321995.db2.gz DQESAGIQWSGDCS-UHFFFAOYSA-N 0 1 399.188 2.752 20 0 GFADMN C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C[C@H](C)O1 ZINC000451561986 564325804 /nfs/dbraw/zinc/32/58/04/564325804.db2.gz CDXAZPBHIBQVEM-LORHWOILSA-N 0 1 397.357 2.709 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000566444579 564327891 /nfs/dbraw/zinc/32/78/91/564327891.db2.gz IFLLLKBHROSPOR-VIFPVBQESA-N 0 1 376.766 2.851 20 0 GFADMN Cn1ccnc1[C@H]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822693 564328019 /nfs/dbraw/zinc/32/80/19/564328019.db2.gz GSHNJCPOHBJYIY-JTQLQIEISA-N 0 1 378.230 2.815 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)cc1Cl ZINC000566494724 564329700 /nfs/dbraw/zinc/32/97/00/564329700.db2.gz TUZDJTOVMYCTHK-CYBMUJFWSA-N 0 1 387.933 2.697 20 0 GFADMN CCn1c(=O)c2cc(Br)ccc2nc1SCCc1c[nH]nn1 ZINC000566497571 564329859 /nfs/dbraw/zinc/32/98/59/564329859.db2.gz YWTUPAKBINRPQL-UHFFFAOYSA-N 0 1 380.271 2.632 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1 ZINC000542940632 564332678 /nfs/dbraw/zinc/33/26/78/564332678.db2.gz CLSLXWRUROBCBU-UHFFFAOYSA-N 0 1 392.767 2.924 20 0 GFADMN CC[C@H](NCc1cncc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000543186961 564342139 /nfs/dbraw/zinc/34/21/39/564342139.db2.gz YFCLSYAZBCIFQW-HNNXBMFYSA-N 0 1 384.299 2.732 20 0 GFADMN C[C@@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000510968086 564352156 /nfs/dbraw/zinc/35/21/56/564352156.db2.gz MGOXTWQOHWHXSD-VXGBXAGGSA-N 0 1 381.885 2.665 20 0 GFADMN C[C@@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000511031675 564353562 /nfs/dbraw/zinc/35/35/62/564353562.db2.gz OGIPKPHOBIWBRK-NWDGAFQWSA-N 0 1 381.885 2.665 20 0 GFADMN Cc1cc(Br)cn2c(CNCc3ccc4c(c3)C(=O)NCC4)cnc12 ZINC000543619788 564356552 /nfs/dbraw/zinc/35/65/52/564356552.db2.gz ZSTSPBXBCXGTNN-UHFFFAOYSA-N 0 1 399.292 2.981 20 0 GFADMN Cc1nnsc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000567117771 564358430 /nfs/dbraw/zinc/35/84/30/564358430.db2.gz UAYRVVFDICZCRQ-QWHCGFSZSA-N 0 1 382.283 2.909 20 0 GFADMN C[C@H]1CCCN(C(C)(C)CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000476909602 564358490 /nfs/dbraw/zinc/35/84/90/564358490.db2.gz ZMZVXILEZBYRCP-ZDUSSCGKSA-N 0 1 386.945 2.984 20 0 GFADMN COCc1nc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cs1 ZINC000511183643 564361657 /nfs/dbraw/zinc/36/16/57/564361657.db2.gz BYLWHISVPOLDIS-UHFFFAOYSA-N 0 1 377.857 2.701 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)C[C@@H]21 ZINC000451878976 564361681 /nfs/dbraw/zinc/36/16/81/564361681.db2.gz OVNXXZTWIKGINP-PBHICJAKSA-N 0 1 395.322 2.927 20 0 GFADMN O[C@H]([C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000451902476 564364677 /nfs/dbraw/zinc/36/46/77/564364677.db2.gz HXBQBMRUHDTPKU-NURSFMCSSA-N 0 1 388.213 2.978 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCCC1 ZINC000477138795 564366368 /nfs/dbraw/zinc/36/63/68/564366368.db2.gz HQXLEQQXLXVFLP-LSDHHAIUSA-N 0 1 394.484 2.906 20 0 GFADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(F)c(OC)c(F)c2)c1 ZINC000543864899 564366636 /nfs/dbraw/zinc/36/66/36/564366636.db2.gz FWQPBPNKGCGJTL-UHFFFAOYSA-N 0 1 375.324 2.700 20 0 GFADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477157560 564366916 /nfs/dbraw/zinc/36/69/16/564366916.db2.gz RFXFJNGLMZNXRD-CQSZACIVSA-N 0 1 393.285 2.990 20 0 GFADMN CCN1CCCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477157560 564366920 /nfs/dbraw/zinc/36/69/20/564366920.db2.gz RFXFJNGLMZNXRD-CQSZACIVSA-N 0 1 393.285 2.990 20 0 GFADMN COC[C@]1(CO)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921381 564367593 /nfs/dbraw/zinc/36/75/93/564367593.db2.gz BUTKPZNOMATMQY-ZJNRKIDTSA-N 0 1 389.323 2.890 20 0 GFADMN O=C(CCN1CCO[C@]2(CCSC2)C1)Nc1cccc(Br)c1 ZINC000567349526 564367866 /nfs/dbraw/zinc/36/78/66/564367866.db2.gz SBPNNDVZQNEGTB-MRXNPFEDSA-N 0 1 385.327 2.986 20 0 GFADMN Cc1ccc(OC[C@@H](O)CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000567379010 564368877 /nfs/dbraw/zinc/36/88/77/564368877.db2.gz ZKKHMPXLDJZHJY-HNNXBMFYSA-N 0 1 383.897 2.581 20 0 GFADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCc2ccc(F)c(F)c21 ZINC000451951881 564372219 /nfs/dbraw/zinc/37/22/19/564372219.db2.gz FDDXDHWGPITWLT-SNVBAGLBSA-N 0 1 387.326 2.541 20 0 GFADMN O=C([C@H]1Cc2ccccc2CN1)N1CCOc2ccc(Br)cc2C1 ZINC000567502957 564374830 /nfs/dbraw/zinc/37/48/30/564374830.db2.gz SVALSLSRGVKSLA-QGZVFWFLSA-N 0 1 387.277 2.885 20 0 GFADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000567532344 564375825 /nfs/dbraw/zinc/37/58/25/564375825.db2.gz USBKPAGEGJRVCF-VOIUYBSRSA-N 0 1 379.547 2.826 20 0 GFADMN C[C@](CO)(NCC(=O)NC(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000511587022 564376755 /nfs/dbraw/zinc/37/67/55/564376755.db2.gz IQXSGVZFUQAPPX-GOSISDBHSA-N 0 1 381.314 2.551 20 0 GFADMN CCN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@H](C)C1 ZINC000511608434 564377664 /nfs/dbraw/zinc/37/76/64/564377664.db2.gz CPTSXBKAAWUGEV-CYBMUJFWSA-N 0 1 379.302 2.949 20 0 GFADMN OCC1(CNCc2ncc(I)s2)CC2(CCC2)C1 ZINC000511795944 564382591 /nfs/dbraw/zinc/38/25/91/564382591.db2.gz JNVZRNLGZNTZNB-UHFFFAOYSA-N 0 1 378.279 2.780 20 0 GFADMN CC(C)(O)C(C)(C)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000452035911 564385882 /nfs/dbraw/zinc/38/58/82/564385882.db2.gz YMLVRKDQHTTYDE-UHFFFAOYSA-N 0 1 386.258 2.803 20 0 GFADMN CN(C)CCCN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000477745366 564386084 /nfs/dbraw/zinc/38/60/84/564386084.db2.gz LRPHQCFQBDLELH-AWEZNQCLSA-N 0 1 386.583 2.627 20 0 GFADMN Cc1nn(C)c(C)c1CCCNCc1ncc(I)s1 ZINC000511978621 564387661 /nfs/dbraw/zinc/38/76/61/564387661.db2.gz OADDKJGIYZFDQX-UHFFFAOYSA-N 0 1 390.294 2.820 20 0 GFADMN COc1cnccc1[C@H](C)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000567824722 564391195 /nfs/dbraw/zinc/39/11/95/564391195.db2.gz BMAOHCAQBBHYLR-APPDUMDISA-N 0 1 378.270 2.904 20 0 GFADMN C[C@H](NCc1ncc(I)s1)[C@H](O)Cc1ccccc1 ZINC000512085019 564391468 /nfs/dbraw/zinc/39/14/68/564391468.db2.gz ZWUDBSUZMZPXNM-CMPLNLGQSA-N 0 1 388.274 2.829 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000477953815 564391883 /nfs/dbraw/zinc/39/18/83/564391883.db2.gz DBYJHWICIRORDX-HNNXBMFYSA-N 0 1 384.318 2.932 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC(c2nnco2)CC1 ZINC000567877469 564393656 /nfs/dbraw/zinc/39/36/56/564393656.db2.gz CTDQQQHVOJYYEQ-UHFFFAOYSA-N 0 1 376.214 2.728 20 0 GFADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000452107192 564393876 /nfs/dbraw/zinc/39/38/76/564393876.db2.gz RSJJJTNQORANBT-JTQLQIEISA-N 0 1 397.285 2.831 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C(C)C)C2)sc1Br ZINC000452107265 564393965 /nfs/dbraw/zinc/39/39/65/564393965.db2.gz SBMSOFALFXKSBS-LLVKDONJSA-N 0 1 381.361 2.922 20 0 GFADMN Cc1cccc(S(=O)(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1Br ZINC000452106673 564394251 /nfs/dbraw/zinc/39/42/51/564394251.db2.gz QTPUHXRVZATQCQ-CYBMUJFWSA-N 0 1 375.332 2.861 20 0 GFADMN C[C@@H](Sc1ccccc1C(=O)NC[C@H](c1cccs1)N(C)C)C(N)=O ZINC000512314569 564398138 /nfs/dbraw/zinc/39/81/38/564398138.db2.gz HLWSHLPQIHCQGQ-TZMCWYRMSA-N 0 1 377.535 2.747 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@H]2CC(=O)c3ccccc32)sc1Br ZINC000544837033 564401075 /nfs/dbraw/zinc/40/10/75/564401075.db2.gz ZLZLQQIDBFYAJH-JTQLQIEISA-N 0 1 387.280 2.820 20 0 GFADMN O=C(NCc1ccc(F)cn1)c1n[nH]c2ccc(I)cc21 ZINC000478450738 564403110 /nfs/dbraw/zinc/40/31/10/564403110.db2.gz WYDYKGZSMPVNDC-UHFFFAOYSA-N 0 1 396.163 2.632 20 0 GFADMN CC(C)C[C@@H](CNC(=O)c1ccc(I)c([O-])c1)[NH+](C)C ZINC000544894178 564403332 /nfs/dbraw/zinc/40/33/32/564403332.db2.gz OQNKKPBIPAAWHO-LBPRGKRZSA-N 0 1 390.265 2.703 20 0 GFADMN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc(Br)cc2nc[nH]c21 ZINC000568149028 564406100 /nfs/dbraw/zinc/40/61/00/564406100.db2.gz XJNIJXAXZIVKTJ-GFCCVEGCSA-N 0 1 376.214 3.152 20 0 GFADMN Cn1cc([C@@H]2C[C@@H](NC(=O)c3cccc(Br)c3O)CCO2)cn1 ZINC000568215464 564409400 /nfs/dbraw/zinc/40/94/00/564409400.db2.gz WLVXCSDLZYVBDI-FZMZJTMJSA-N 0 1 380.242 2.538 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000512731314 564409581 /nfs/dbraw/zinc/40/95/81/564409581.db2.gz XGUUDJOJNUVSOC-UHFFFAOYSA-N 0 1 377.809 2.871 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(O)cc2Br)[C@]12CCCO2 ZINC000545349871 564417774 /nfs/dbraw/zinc/41/77/74/564417774.db2.gz XJMRCZLHGNWDRB-GVDBMIGSSA-N 0 1 386.286 2.980 20 0 GFADMN CS(=O)(=O)N1CCCC[C@H]1CNCc1cc(Cl)ccc1OC(F)F ZINC000513031378 564418677 /nfs/dbraw/zinc/41/86/77/564418677.db2.gz FCCLKAWMBFCPAK-ZDUSSCGKSA-N 0 1 382.860 2.845 20 0 GFADMN CCN1CCN(CC(=O)N(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000513280149 564425708 /nfs/dbraw/zinc/42/57/08/564425708.db2.gz WVVGIBWYHYZUOT-UHFFFAOYSA-N 0 1 382.346 2.824 20 0 GFADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@](O)(C(F)F)C1 ZINC000452668934 564425864 /nfs/dbraw/zinc/42/58/64/564425864.db2.gz JYJCAIUQZYYYRO-OAHLLOKOSA-N 0 1 386.196 2.681 20 0 GFADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)c([O-])c2)CC[N@@H+]1C ZINC000545506684 564426372 /nfs/dbraw/zinc/42/63/72/564426372.db2.gz VSLWHHFSDQLPHJ-JQWIXIFHSA-N 0 1 388.249 2.552 20 0 GFADMN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(I)c([O-])c2)CC[N@H+]1C ZINC000545506684 564426374 /nfs/dbraw/zinc/42/63/74/564426374.db2.gz VSLWHHFSDQLPHJ-JQWIXIFHSA-N 0 1 388.249 2.552 20 0 GFADMN CN(Cc1ccccc1)C1CN(C(=O)Nc2ccncc2Br)C1 ZINC000479133874 564426596 /nfs/dbraw/zinc/42/65/96/564426596.db2.gz RVZLRWVBKYAEJT-UHFFFAOYSA-N 0 1 375.270 2.614 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1nnc(CC)[nH]1 ZINC000479166242 564429244 /nfs/dbraw/zinc/42/92/44/564429244.db2.gz NZVZZUJBLFKGCX-LLVKDONJSA-N 0 1 382.511 2.670 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1nc(CC)n[nH]1 ZINC000479166242 564429245 /nfs/dbraw/zinc/42/92/45/564429245.db2.gz NZVZZUJBLFKGCX-LLVKDONJSA-N 0 1 382.511 2.670 20 0 GFADMN CN1CC[C@@H]2CN(C(=O)CCCC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000452962024 564439641 /nfs/dbraw/zinc/43/96/41/564439641.db2.gz BLLFLVBJALLYBM-ZBFHGGJFSA-N 0 1 379.298 2.965 20 0 GFADMN C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1cc2c(cc1Br)OCCO2 ZINC000568897877 564439988 /nfs/dbraw/zinc/43/99/88/564439988.db2.gz CYWBGDXLGYAPGB-WDEREUQCSA-N 0 1 394.269 2.999 20 0 GFADMN CC[C@H](O)[C@H](CC)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000453379677 564456028 /nfs/dbraw/zinc/45/60/28/564456028.db2.gz QZQRKMLACOUQNA-MJBXVCDLSA-N 0 1 376.316 2.807 20 0 GFADMN O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000453657296 564462692 /nfs/dbraw/zinc/46/26/92/564462692.db2.gz OHLXWTPHBIFNFA-CQSZACIVSA-N 0 1 398.688 2.514 20 0 GFADMN O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cccc(Br)c1O ZINC000569434866 564462801 /nfs/dbraw/zinc/46/28/01/564462801.db2.gz IXNKMDMQVQAZPW-VIFPVBQESA-N 0 1 381.192 2.911 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)cn1 ZINC000480223687 564464972 /nfs/dbraw/zinc/46/49/72/564464972.db2.gz IOVRLCLUFRBBMM-UHFFFAOYSA-N 0 1 388.804 2.860 20 0 GFADMN COC(=O)CC1(NCC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000569489090 564466054 /nfs/dbraw/zinc/46/60/54/564466054.db2.gz GXPWHVXANDDODL-UHFFFAOYSA-N 0 1 375.650 2.726 20 0 GFADMN Cc1cc(Br)ccc1C(=O)N1CCC(NCc2ncccn2)CC1 ZINC000569501402 564467158 /nfs/dbraw/zinc/46/71/58/564467158.db2.gz BFIVXYBNFVUQCY-UHFFFAOYSA-N 0 1 389.297 2.942 20 0 GFADMN COc1ccc(CNC[C@@H]2CCCN2c2cccnn2)c(Br)c1O ZINC000546882625 564472609 /nfs/dbraw/zinc/47/26/09/564472609.db2.gz KABUEWFGKSUGNB-ZDUSSCGKSA-N 0 1 393.285 2.712 20 0 GFADMN COc1ccc([C@@H](NCCS(=O)(=O)N(C)C)C(C)C)c(Br)c1 ZINC000569747488 564476877 /nfs/dbraw/zinc/47/68/77/564476877.db2.gz RAFZGYAXISKRPG-HNNXBMFYSA-N 0 1 393.347 2.636 20 0 GFADMN O=S1(=O)CC[C@H](NCC2(CO)CCCC2)c2cc(Br)ccc21 ZINC000480695142 564482445 /nfs/dbraw/zinc/48/24/45/564482445.db2.gz PDBSXLTUKTYZHF-AWEZNQCLSA-N 0 1 388.327 2.810 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000480741440 564486071 /nfs/dbraw/zinc/48/60/71/564486071.db2.gz ZWOBUBNMHZZHOF-GHMZBOCLSA-N 0 1 391.306 2.800 20 0 GFADMN O=C1[C@@H]2CSCCN2C(=O)N1C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000516136696 564494342 /nfs/dbraw/zinc/49/43/42/564494342.db2.gz ZRAKGPFFBZJSAF-HOTGVXAUSA-N 0 1 379.913 2.857 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC(CCO)CC1 ZINC000570894335 564526291 /nfs/dbraw/zinc/52/62/91/564526291.db2.gz IMSPVUWSKPHBGM-UHFFFAOYSA-N 0 1 379.254 2.525 20 0 GFADMN O=C(NCCN1CCCOCC1)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000455001453 564531556 /nfs/dbraw/zinc/53/15/56/564531556.db2.gz LWTAFJNOMRBHSX-MRXNPFEDSA-N 0 1 396.329 2.670 20 0 GFADMN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000517414992 564533706 /nfs/dbraw/zinc/53/37/06/564533706.db2.gz NBFFTQZKSCRNPM-STQMWFEESA-N 0 1 388.917 2.652 20 0 GFADMN CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000571084553 564535575 /nfs/dbraw/zinc/53/55/75/564535575.db2.gz VYZMKHWHVRMLGX-BBRMVZONSA-N 0 1 385.961 2.659 20 0 GFADMN Cc1nc(CNC(=O)N2C[C@@H]3CCCCN3C[C@H]2C)sc1Br ZINC000455201502 564542391 /nfs/dbraw/zinc/54/23/91/564542391.db2.gz ANMJLHXUDUHALI-PWSUYJOCSA-N 0 1 387.347 2.982 20 0 GFADMN CCO[C@@H]1C[C@@H](NCc2cnn(-c3ccc(Br)cc3)c2)[C@H]1OC ZINC000482506392 564543852 /nfs/dbraw/zinc/54/38/52/564543852.db2.gz HXRNWPDJXSOMFP-BRWVUGGUSA-N 0 1 380.286 2.917 20 0 GFADMN CCN1C[C@H](C)N(C(=O)NCc2nc(C)c(Br)s2)C[C@H]1C ZINC000455227629 564544206 /nfs/dbraw/zinc/54/42/06/564544206.db2.gz IMDMXQDMPULGIK-ZJUUUORDSA-N 0 1 375.336 2.838 20 0 GFADMN Cc1noc([C@@H](C)N(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)n1 ZINC000571340727 564547174 /nfs/dbraw/zinc/54/71/74/564547174.db2.gz FCOSJVQPZHUCTN-MRVPVSSYSA-N 0 1 393.245 2.919 20 0 GFADMN CCc1nc(CN2CCN(Cc3cc(Br)ccc3F)CC2)n[nH]1 ZINC000482683178 564548139 /nfs/dbraw/zinc/54/81/39/564548139.db2.gz YVTNOKHWYUVRIK-UHFFFAOYSA-N 0 1 382.281 2.587 20 0 GFADMN COc1ccc(-c2n[nH]c(SC[C@@H]3CCCNC3=O)n2)cc1Br ZINC000571410295 564550309 /nfs/dbraw/zinc/55/03/09/564550309.db2.gz DSPZJGSAZVFJMB-JTQLQIEISA-N 0 1 397.298 2.861 20 0 GFADMN COC(C)(C)CN(C)CC(=O)Nc1ccc(I)cc1C ZINC000571465257 564552900 /nfs/dbraw/zinc/55/29/00/564552900.db2.gz IYMLCHPCHHUYCK-UHFFFAOYSA-N 0 1 390.265 2.895 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)c(I)c2)[C@@H](C)C1 ZINC000518433208 564553350 /nfs/dbraw/zinc/55/33/50/564553350.db2.gz LXIRLWCYNUGZQU-PHIMTYICSA-N 0 1 390.240 2.985 20 0 GFADMN C[C@@H]1CCN(CCN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000548483233 564553819 /nfs/dbraw/zinc/55/38/19/564553819.db2.gz IJFBWPSZUBHNKN-DOMZBBRYSA-N 0 1 387.343 2.599 20 0 GFADMN C[C@@]1(c2ccc(CNCc3csc(Br)c3)cc2)NC(=O)NC1=O ZINC000518782078 564561351 /nfs/dbraw/zinc/56/13/51/564561351.db2.gz KJBJUQYRLZLVHV-INIZCTEOSA-N 0 1 394.294 2.855 20 0 GFADMN COc1ccc(Br)c(CNC(=O)[C@@H]2NCCc3ccccc32)c1 ZINC000518980764 564566194 /nfs/dbraw/zinc/56/61/94/564566194.db2.gz IQQPNVIQPYTYLV-QGZVFWFLSA-N 0 1 375.266 2.961 20 0 GFADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cnccc2C(F)(F)F)n[nH]1 ZINC000572069212 564579972 /nfs/dbraw/zinc/57/99/72/564579972.db2.gz FWQGTTQNKTYBSA-IUCAKERBSA-N 0 1 377.392 2.772 20 0 GFADMN CCN1CCCN(C(=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000484275460 564585666 /nfs/dbraw/zinc/58/56/66/564585666.db2.gz LFYISIYONDXSDT-UHFFFAOYSA-N 0 1 380.901 2.751 20 0 GFADMN NC(=O)c1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)cn1 ZINC000484299238 564585977 /nfs/dbraw/zinc/58/59/77/564585977.db2.gz FAVQWVOXOFBHIY-AWEZNQCLSA-N 0 1 376.254 2.947 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000572290812 564588868 /nfs/dbraw/zinc/58/88/68/564588868.db2.gz MDYCBGJMNDLBJU-GFCCVEGCSA-N 0 1 393.347 2.780 20 0 GFADMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n[nH]1 ZINC000572311340 564589637 /nfs/dbraw/zinc/58/96/37/564589637.db2.gz SUNZYESZLQKPRI-KWQFWETISA-N 0 1 382.251 2.650 20 0 GFADMN COCc1nc(CNC(=O)c2ccc(CN3CCSCC3)cc2)cs1 ZINC000519847246 564592885 /nfs/dbraw/zinc/59/28/85/564592885.db2.gz ILZFHKRCOPTCAA-UHFFFAOYSA-N 0 1 377.535 2.768 20 0 GFADMN Cc1nc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)sc1C(F)(F)F ZINC000572664710 564604297 /nfs/dbraw/zinc/60/42/97/564604297.db2.gz QIPDHSQNZXBEFW-SECBINFHSA-N 0 1 380.436 2.779 20 0 GFADMN CC(C)[C@H](CO)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456381245 564604717 /nfs/dbraw/zinc/60/47/17/564604717.db2.gz WUHBTDZFWNMOHT-ZFWWWQNUSA-N 0 1 398.345 2.792 20 0 GFADMN CN(Cc1ccc(F)cc1Br)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000485023027 564605114 /nfs/dbraw/zinc/60/51/14/564605114.db2.gz IGOFHDZWSUOVPK-LBPRGKRZSA-N 0 1 393.322 2.692 20 0 GFADMN CCS[C@H]1CCCCN(C(=O)C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000549999918 564613017 /nfs/dbraw/zinc/61/30/17/564613017.db2.gz CFJLRHPIHBUPQJ-LSDHHAIUSA-N 0 1 383.583 2.601 20 0 GFADMN Cc1ccsc1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000550025191 564613690 /nfs/dbraw/zinc/61/36/90/564613690.db2.gz JIRRNXREBSYSJJ-CQSZACIVSA-N 0 1 377.535 2.688 20 0 GFADMN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031344 564613836 /nfs/dbraw/zinc/61/38/36/564613836.db2.gz SOBIQZQECDTHKM-ZJUUUORDSA-N 0 1 388.270 2.663 20 0 GFADMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000485506289 564617949 /nfs/dbraw/zinc/61/79/49/564617949.db2.gz OOHVDYAJAVBVAZ-GDBMZVCRSA-N 0 1 394.313 2.674 20 0 GFADMN O=C(CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cn1 ZINC000573060093 564620685 /nfs/dbraw/zinc/62/06/85/564620685.db2.gz NLKSEJAYYMXSPO-KFWWJZLASA-N 0 1 382.302 2.798 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(O)cc2Br)[C@H]1n1cccn1 ZINC000550327265 564620815 /nfs/dbraw/zinc/62/08/15/564620815.db2.gz TYJLVXAHTRTRBL-IAOVAPTHSA-N 0 1 396.285 2.868 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000573297263 564631984 /nfs/dbraw/zinc/63/19/84/564631984.db2.gz QKCYADPNNKXVBD-KDOFPFPSSA-N 0 1 387.281 2.965 20 0 GFADMN O=S(=O)(Cc1ccc(Cl)cc1Br)N[C@H]1CCN(C2CC2)C1 ZINC000486003329 564635148 /nfs/dbraw/zinc/63/51/48/564635148.db2.gz RRCHBLKGQIZJQP-LBPRGKRZSA-N 0 1 393.734 2.759 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000456895765 564637936 /nfs/dbraw/zinc/63/79/36/564637936.db2.gz IXBAGNSAYUPZGM-UHFFFAOYSA-N 0 1 386.309 2.734 20 0 GFADMN CCOC(=O)C1(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000457030243 564644087 /nfs/dbraw/zinc/64/40/87/564644087.db2.gz HGNJZIJNDUVAGQ-UHFFFAOYSA-N 0 1 380.242 2.675 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)c([O-])c2)C1 ZINC000457094664 564645904 /nfs/dbraw/zinc/64/59/04/564645904.db2.gz PBOWFLJSTIYRGK-LBPRGKRZSA-N 0 1 388.249 2.552 20 0 GFADMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(I)c([O-])c2)C1 ZINC000457094664 564645906 /nfs/dbraw/zinc/64/59/06/564645906.db2.gz PBOWFLJSTIYRGK-LBPRGKRZSA-N 0 1 388.249 2.552 20 0 GFADMN CN(CC(=O)NCCCCc1ccc(Cl)s1)c1ncnc2[nH]cnc21 ZINC000551339388 564647148 /nfs/dbraw/zinc/64/71/48/564647148.db2.gz RZAQPPMMXTWKBD-UHFFFAOYSA-N 0 1 378.889 2.643 20 0 GFADMN COc1ccc(Br)cc1CC(=O)Nc1c(C(N)=O)[nH]nc1C(C)C ZINC000457138505 564649524 /nfs/dbraw/zinc/64/95/24/564649524.db2.gz XTWUMPZREYJSMU-UHFFFAOYSA-N 0 1 395.257 2.584 20 0 GFADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2nn(C)cc2Br)CC1 ZINC000486472906 564653279 /nfs/dbraw/zinc/65/32/79/564653279.db2.gz MICLHHLBHRGEIZ-LBPRGKRZSA-N 0 1 392.301 2.533 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)c(C)o1 ZINC000486562736 564656636 /nfs/dbraw/zinc/65/66/36/564656636.db2.gz YQTSXCNXVFLQCZ-UHFFFAOYSA-N 0 1 381.435 2.637 20 0 GFADMN O=C(NCCCCN1CCOCC1)N1CCc2ccc(Br)cc2C1 ZINC000551614693 564657892 /nfs/dbraw/zinc/65/78/92/564657892.db2.gz FCENNCIJZZJEOE-UHFFFAOYSA-N 0 1 396.329 2.629 20 0 GFADMN CCNC(=O)C1(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)CCC1 ZINC000486902878 564670119 /nfs/dbraw/zinc/67/01/19/564670119.db2.gz PQWAPNGKGTTZKQ-UHFFFAOYSA-N 0 1 382.295 2.970 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3n2)CCN1C ZINC000487074575 564674504 /nfs/dbraw/zinc/67/45/04/564674504.db2.gz RFGHFZJHDHLWDS-HNNXBMFYSA-N 0 1 394.317 2.578 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)Cc1cccc2cccnc21)c1cccs1 ZINC000524015895 564675678 /nfs/dbraw/zinc/67/56/78/564675678.db2.gz WHCATWPWHRTDOC-INIZCTEOSA-N 0 1 376.459 2.630 20 0 GFADMN C[C@@H](Cc1cnn(C)c1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457841442 564675706 /nfs/dbraw/zinc/67/57/06/564675706.db2.gz HVURIBCOYGEEKA-JTQLQIEISA-N 0 1 376.258 2.554 20 0 GFADMN COc1cc(OC)c([C@@H](C)NC[C@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100359 564676924 /nfs/dbraw/zinc/67/69/24/564676924.db2.gz HLDVEZUYVLEQEN-CHWSQXEVSA-N 0 1 390.933 2.822 20 0 GFADMN CC[C@H]1CN(CCNCc2cc(OC)c(OC)cc2Br)CCO1 ZINC000487185126 564678648 /nfs/dbraw/zinc/67/86/48/564678648.db2.gz HYZVJQHNVPXEED-AWEZNQCLSA-N 0 1 387.318 2.667 20 0 GFADMN CC(C)NS(=O)(=O)CCNCc1cc2cc(Br)ccc2o1 ZINC000575002989 564690645 /nfs/dbraw/zinc/69/06/45/564690645.db2.gz AJCCDEXNQULCHX-UHFFFAOYSA-N 0 1 375.288 2.613 20 0 GFADMN COC[C@H](C)CS(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000575604398 564700284 /nfs/dbraw/zinc/70/02/84/564700284.db2.gz RPMNUCZJOSOLKB-HNNXBMFYSA-N 0 1 388.961 2.754 20 0 GFADMN Ic1ccccc1[C@H]1CCCN1CCN1CCOCC1 ZINC000525409109 564700821 /nfs/dbraw/zinc/70/08/21/564700821.db2.gz SFGXHXYDNSRFQN-MRXNPFEDSA-N 0 1 386.277 2.760 20 0 GFADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCCc2ccccc2Cl)C1 ZINC000488102761 564703753 /nfs/dbraw/zinc/70/37/53/564703753.db2.gz HSKIXGPAZUDKBA-QGZVFWFLSA-N 0 1 388.961 2.645 20 0 GFADMN CCSCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000576236545 564709164 /nfs/dbraw/zinc/70/91/64/564709164.db2.gz RJUBEWDAKWCQHR-GJZGRUSLSA-N 0 1 383.583 2.649 20 0 GFADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000576591170 564716674 /nfs/dbraw/zinc/71/66/74/564716674.db2.gz IPSBPLIIIFYHNG-DOMZBBRYSA-N 0 1 381.778 2.557 20 0 GFADMN Cc1nc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)sc1Br ZINC000458926446 564723795 /nfs/dbraw/zinc/72/37/95/564723795.db2.gz LHYCYGQMTWHUNA-LLVKDONJSA-N 0 1 375.336 2.696 20 0 GFADMN O=C(Cc1ccc(I)cc1)N1CCN(C2CCC2)CC1 ZINC000488956770 564725057 /nfs/dbraw/zinc/72/50/57/564725057.db2.gz RMZIKNWCKCRUBY-UHFFFAOYSA-N 0 1 384.261 2.530 20 0 GFADMN COc1cc(C)c(S(=O)(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)c(C)c1 ZINC000527076718 564728739 /nfs/dbraw/zinc/72/87/39/564728739.db2.gz WNFVKMSRHBCJME-IRXDYDNUSA-N 0 1 384.567 2.512 20 0 GFADMN COc1cc(C)c(S(=O)(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c(C)c1 ZINC000527076717 564729155 /nfs/dbraw/zinc/72/91/55/564729155.db2.gz WNFVKMSRHBCJME-IAGOWNOFSA-N 0 1 384.567 2.512 20 0 GFADMN OC[C@]1([C@@H](NCc2cc3c(cc2Br)OCO3)C2CC2)CCCO1 ZINC000577196777 564729255 /nfs/dbraw/zinc/72/92/55/564729255.db2.gz PXHCKWABFUSDQD-IRXDYDNUSA-N 0 1 384.270 2.588 20 0 GFADMN CC(C)(O)C(C)(C)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459080438 564730970 /nfs/dbraw/zinc/73/09/70/564730970.db2.gz DTUIOUMNVUGTJI-UHFFFAOYSA-N 0 1 383.290 2.922 20 0 GFADMN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000553673215 564731742 /nfs/dbraw/zinc/73/17/42/564731742.db2.gz LSMFSZQXDBRALY-UHFFFAOYSA-N 0 1 386.832 2.800 20 0 GFADMN CO[C@@H]1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)C[C@H]1C ZINC000459127612 564731806 /nfs/dbraw/zinc/73/18/06/564731806.db2.gz CAZVXIMOQMNIEW-ZWNOBZJWSA-N 0 1 381.274 2.892 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCn2cc(Br)ccc2=O)n[nH]1 ZINC000489219771 564732509 /nfs/dbraw/zinc/73/25/09/564732509.db2.gz QZKYXVQQPVWFRK-WDEREUQCSA-N 0 1 396.289 2.510 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCCCC[C@H]1O ZINC000459156921 564733180 /nfs/dbraw/zinc/73/31/80/564733180.db2.gz ZHYARFJGXUASLA-DGCLKSJQSA-N 0 1 381.274 2.818 20 0 GFADMN O=C(Nc1ccc2nccnc2c1Br)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000577353459 564735147 /nfs/dbraw/zinc/73/51/47/564735147.db2.gz IUAWVTZWDWCPIV-PHIMTYICSA-N 0 1 376.258 2.751 20 0 GFADMN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1Cl)CC1CCS(=O)(=O)CC1 ZINC000577522133 564736401 /nfs/dbraw/zinc/73/64/01/564736401.db2.gz XBWXQQIZHOEBPE-UHFFFAOYSA-N 0 1 394.320 2.747 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1 ZINC000553836634 564738464 /nfs/dbraw/zinc/73/84/64/564738464.db2.gz SRZDMQOLDXFQDD-HNNXBMFYSA-N 0 1 375.332 2.743 20 0 GFADMN CN1CCN(c2ccc(CNCc3ccsc3Br)cn2)CC1 ZINC000527635892 564751973 /nfs/dbraw/zinc/75/19/73/564751973.db2.gz OVDQUMYDJXATLD-UHFFFAOYSA-N 0 1 381.343 2.947 20 0 GFADMN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCCc2[nH]cnc21 ZINC000554163133 564753172 /nfs/dbraw/zinc/75/31/72/564753172.db2.gz NPWGRDIPOOGASR-QMTHXVAHSA-N 0 1 382.233 2.581 20 0 GFADMN COc1cc(Br)c(CNC(=O)c2conc2C(C)(C)N)cc1OC ZINC000580464491 564760584 /nfs/dbraw/zinc/76/05/84/564760584.db2.gz RIJUREXXAAKBPJ-UHFFFAOYSA-N 0 1 398.257 2.578 20 0 GFADMN CCCN(C(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000459787941 564761110 /nfs/dbraw/zinc/76/11/10/564761110.db2.gz POBPCDSWNCKZTO-CPUCHLNUSA-N 0 1 386.945 2.805 20 0 GFADMN CCN(CC)CCS(=O)(=O)N(C)Cc1cc(OC)c(OC)cc1SC ZINC000580500306 564761152 /nfs/dbraw/zinc/76/11/52/564761152.db2.gz FGCGSDIPVKSBNX-UHFFFAOYSA-N 0 1 390.571 2.529 20 0 GFADMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000580600508 564766063 /nfs/dbraw/zinc/76/60/63/564766063.db2.gz MHYAGFSMWIVLQD-NSHDSACASA-N 0 1 381.885 2.797 20 0 GFADMN CN1CCC[C@H](NCc2cc(Br)cc(Br)c2)C1=O ZINC000554718688 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C[C@](N)(C(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(Br)cc1 ZINC000653175214 565957392 /nfs/dbraw/zinc/95/73/92/565957392.db2.gz RCMFVFYROFUBBN-DOTOQJQBSA-N 0 1 379.254 2.816 20 0 GFADMN CN1CCC[C@@H](NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000677087610 565960849 /nfs/dbraw/zinc/96/08/49/565960849.db2.gz ZBDAJCACNOEHPZ-IAGOWNOFSA-N 0 1 386.323 2.577 20 0 GFADMN CN1CC[C@@H](N2CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000631528514 565960939 /nfs/dbraw/zinc/96/09/39/565960939.db2.gz AOHSPBOHUOVMSB-OAHLLOKOSA-N 0 1 385.295 2.810 20 0 GFADMN CCN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C[C@H]1C ZINC000677182156 565962681 /nfs/dbraw/zinc/96/26/81/565962681.db2.gz CHBIHQDLJMXCHI-GFCCVEGCSA-N 0 1 378.523 2.552 20 0 GFADMN Cc1cc(CNC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)n[nH]1 ZINC000606518079 565967678 /nfs/dbraw/zinc/96/76/78/565967678.db2.gz SMYBBYAFQXPXTR-OAHLLOKOSA-N 0 1 379.258 2.764 20 0 GFADMN COc1ccc(NC(=O)C[C@H](C)NCc2c(Br)cnn2C)cc1 ZINC000631685852 565968887 /nfs/dbraw/zinc/96/88/87/565968887.db2.gz 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Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cccc(Br)c1O ZINC000680614341 566078115 /nfs/dbraw/zinc/07/81/15/566078115.db2.gz YOJYQSBJFHNPGS-HNNXBMFYSA-N 0 1 389.249 2.776 20 0 GFADMN COC(=O)[C@H](CNC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000610356476 566078747 /nfs/dbraw/zinc/07/87/47/566078747.db2.gz OBOBIMFOTKGMPX-CYBMUJFWSA-N 0 1 378.222 2.841 20 0 GFADMN C[C@@H]1CCCc2nc(S(=O)(=O)N[C@@H](C[C@H]3CCCO3)C(F)(F)F)cn21 ZINC000655661455 566079285 /nfs/dbraw/zinc/07/92/85/566079285.db2.gz DZDDUAVQJDZTHQ-UTUOFQBUSA-N 0 1 381.420 2.559 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000655668777 566080770 /nfs/dbraw/zinc/08/07/70/566080770.db2.gz IWXWHQHZQXTQHY-SJORKVTESA-N 0 1 385.917 2.594 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000680808553 566082609 /nfs/dbraw/zinc/08/26/09/566082609.db2.gz AGUCUJRIHHAPHN-UHFFFAOYSA-N 0 1 378.841 2.945 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN[C@@H]1CCCCNC1=O ZINC000655717144 566084635 /nfs/dbraw/zinc/08/46/35/566084635.db2.gz 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/nfs/dbraw/zinc/14/03/53/566140353.db2.gz NSGDBJUDWSBCTR-UHFFFAOYSA-N 0 1 398.224 2.768 20 0 GFADMN C[C@@H](NC(=O)Cc1ccc(Br)c(Br)c1)c1nnc[nH]1 ZINC000611708084 566140938 /nfs/dbraw/zinc/14/09/38/566140938.db2.gz UESVZIFXMNQEKV-SSDOTTSWSA-N 0 1 388.063 2.750 20 0 GFADMN C[C@H](CNC(=O)[C@H]1CCc2[nH]cnc2C1)Oc1ccccc1Br ZINC000611979005 566147695 /nfs/dbraw/zinc/14/76/95/566147695.db2.gz FDCGUPOULAHUSB-NEPJUHHUSA-N 0 1 378.270 2.861 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCN1CC ZINC000612011309 566148643 /nfs/dbraw/zinc/14/86/43/566148643.db2.gz PKDGUMYXQUZOEJ-ZDUSSCGKSA-N 0 1 391.331 2.610 20 0 GFADMN COC1CCN(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000612058291 566150494 /nfs/dbraw/zinc/15/04/94/566150494.db2.gz XOJBAFABSDWOJY-LBPRGKRZSA-N 0 1 375.296 2.988 20 0 GFADMN Cc1cc(Cc2nnc(N(C)Cc3ccc(Br)c(F)c3)n2C)[nH]n1 ZINC000634318807 566152954 /nfs/dbraw/zinc/15/29/54/566152954.db2.gz XKOGIHATQWENGW-UHFFFAOYSA-N 0 1 393.264 2.975 20 0 GFADMN Cn1nc2c(c1S(=O)(=O)[N-]c1ccc(C[NH+](C)C)c(Cl)c1)CCCC2 ZINC000634658002 566166240 /nfs/dbraw/zinc/16/62/40/566166240.db2.gz MDLJTDCNDIKQPZ-UHFFFAOYSA-N 0 1 382.917 2.815 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCCCN1CCc2ccccc2C1 ZINC000656871838 566172435 /nfs/dbraw/zinc/17/24/35/566172435.db2.gz GASBJTBROMGSGE-AWEZNQCLSA-N 0 1 378.460 2.943 20 0 GFADMN COc1cc(NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)cc(OC)c1Cl ZINC000634793462 566178391 /nfs/dbraw/zinc/17/83/91/566178391.db2.gz KYXJGMOHYUTVBE-MRXNPFEDSA-N 0 1 393.889 2.683 20 0 GFADMN Ic1ccc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000612982230 566181380 /nfs/dbraw/zinc/18/13/80/566181380.db2.gz KJWQERDIXUVHJF-OLZOCXBDSA-N 0 1 397.216 2.877 20 0 GFADMN C[C@H](NS(=O)(=O)c1ncccc1Br)c1nc(C(C)(C)C)no1 ZINC000656922904 566184653 /nfs/dbraw/zinc/18/46/53/566184653.db2.gz MNXQMVUADJSKML-QMMMGPOBSA-N 0 1 389.275 2.564 20 0 GFADMN CNS(=O)(=O)Cc1ccc(CNCc2nc3ccc(F)cc3s2)cc1 ZINC000683203135 566188606 /nfs/dbraw/zinc/18/86/06/566188606.db2.gz URUNABQOMYPHSE-UHFFFAOYSA-N 0 1 379.482 2.774 20 0 GFADMN CCOC(=O)c1sc(CNS(=O)(=O)c2c(F)cccc2Cl)nc1C ZINC000613349794 566194754 /nfs/dbraw/zinc/19/47/54/566194754.db2.gz GQLSKNNXCRWNJZ-UHFFFAOYSA-N 0 1 392.861 2.899 20 0 GFADMN Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCc4[nH]cnc4C3)nc12 ZINC000613504259 566200038 /nfs/dbraw/zinc/20/00/38/566200038.db2.gz MPESSLBNVAYALZ-NSHDSACASA-N 0 1 388.269 2.550 20 0 GFADMN Cc1csc([C@@H](C)C(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)n1 ZINC000613555997 566202931 /nfs/dbraw/zinc/20/29/31/566202931.db2.gz TWZZZKHSEGCURL-QPUJVOFHSA-N 0 1 380.836 2.766 20 0 GFADMN O=C(CCCc1nn[nH]n1)NCC1(c2cccc(Br)c2)CCC1 ZINC000635406043 566210991 /nfs/dbraw/zinc/21/09/91/566210991.db2.gz MZBRVYUNYCHPFD-UHFFFAOYSA-N 0 1 378.274 2.523 20 0 GFADMN C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000635530849 566218061 /nfs/dbraw/zinc/21/80/61/566218061.db2.gz KXNZZSJKBMMNNY-SNVBAGLBSA-N 0 1 388.823 2.774 20 0 GFADMN O=C1NCCN(Cc2[nH]nc3ccccc32)[C@H]1c1ccc(Br)cc1 ZINC000684429920 566235467 /nfs/dbraw/zinc/23/54/67/566235467.db2.gz QARRCVMPYMCHFV-KRWDZBQOSA-N 0 1 385.265 2.999 20 0 GFADMN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000736625163 598948177 /nfs/dbraw/zinc/94/81/77/598948177.db2.gz KUMMSBKWPRMMIA-UHFFFAOYSA-N 0 1 377.401 2.514 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000737033359 598986722 /nfs/dbraw/zinc/98/67/22/598986722.db2.gz UHJVEHSGAAIAET-HXUWFJFHSA-N 0 1 395.463 2.718 20 0 GFADMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738160943 598996730 /nfs/dbraw/zinc/99/67/30/598996730.db2.gz WNGWBDXXYZRBDI-UHFFFAOYSA-N 0 1 377.452 2.542 20 0 GFADMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738160943 598996732 /nfs/dbraw/zinc/99/67/32/598996732.db2.gz WNGWBDXXYZRBDI-UHFFFAOYSA-N 0 1 377.452 2.542 20 0 GFADMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117615 599006949 /nfs/dbraw/zinc/00/69/49/599006949.db2.gz UTAUTSFXOQYPRM-UHFFFAOYSA-N 0 1 391.479 2.568 20 0 GFADMN O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117615 599006951 /nfs/dbraw/zinc/00/69/51/599006951.db2.gz UTAUTSFXOQYPRM-UHFFFAOYSA-N 0 1 391.479 2.568 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000736812718 599029700 /nfs/dbraw/zinc/02/97/00/599029700.db2.gz GJPCZLCDGSLCMF-HXUWFJFHSA-N 0 1 390.491 2.880 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000737188079 599108924 /nfs/dbraw/zinc/10/89/24/599108924.db2.gz XZJNVWLGICWCRR-YPMHNXCESA-N 0 1 396.476 2.707 20 0 GFADMN CCO[C@H](C)c1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cs1 ZINC000736615250 599166847 /nfs/dbraw/zinc/16/68/47/599166847.db2.gz KDSLERQISTXTKO-LLVKDONJSA-N 0 1 382.449 2.784 20 0 GFADMN CCOC(=O)CCCCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736591413 599246493 /nfs/dbraw/zinc/24/64/93/599246493.db2.gz DDUNRBQOLMLNAF-UHFFFAOYSA-N 0 1 389.843 2.959 20 0 GFADMN Cc1c(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822097280 607280212 /nfs/dbraw/zinc/28/02/12/607280212.db2.gz WJASRDWGHZAWNI-KRWDZBQOSA-N 0 1 383.431 2.739 20 0 GFADMN FC(F)(F)c1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000822723728 599258321 /nfs/dbraw/zinc/25/83/21/599258321.db2.gz MHWGNIDTOPBQJD-UHFFFAOYSA-N 0 1 389.385 2.603 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2F)CC1 ZINC000821582968 607315845 /nfs/dbraw/zinc/31/58/45/607315845.db2.gz DKCPLBQONPJGTP-UHFFFAOYSA-N 0 1 385.447 2.741 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2F)CC1 ZINC000821582968 607315846 /nfs/dbraw/zinc/31/58/46/607315846.db2.gz DKCPLBQONPJGTP-UHFFFAOYSA-N 0 1 385.447 2.741 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000735961928 599265877 /nfs/dbraw/zinc/26/58/77/599265877.db2.gz WZQVAPFYUDBUJW-NSHDSACASA-N 0 1 388.476 2.796 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000735961928 599265878 /nfs/dbraw/zinc/26/58/78/599265878.db2.gz WZQVAPFYUDBUJW-NSHDSACASA-N 0 1 388.476 2.796 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000822154785 607326793 /nfs/dbraw/zinc/32/67/93/607326793.db2.gz ZLYOILAEJIFTNH-UHFFFAOYSA-N 0 1 398.420 2.686 20 0 GFADMN O[C@@H](CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1F ZINC000738381814 598249704 /nfs/dbraw/zinc/24/97/04/598249704.db2.gz NATNSHGNJIVWRX-IBGZPJMESA-N 0 1 383.427 2.583 20 0 GFADMN O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738183830 598251831 /nfs/dbraw/zinc/25/18/31/598251831.db2.gz OKXOSUAMLIXTSK-UHFFFAOYSA-N 0 1 398.417 2.996 20 0 GFADMN Fc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c2ncccc12 ZINC000737648382 598251882 /nfs/dbraw/zinc/25/18/82/598251882.db2.gz JQZPTPVWTZLUMZ-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000738049482 598289352 /nfs/dbraw/zinc/28/93/52/598289352.db2.gz JHPWVZHRYROKKE-OAHLLOKOSA-N 0 1 388.475 2.748 20 0 GFADMN C[NH+](C)C(C)(C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736754073 598400301 /nfs/dbraw/zinc/40/03/01/598400301.db2.gz UOVCFXULUVJHJG-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN C[NH+](C)C(C)(C)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736754073 598400303 /nfs/dbraw/zinc/40/03/03/598400303.db2.gz UOVCFXULUVJHJG-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN C[C@H]1CO[C@H](c2ccccc2)CN1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291556 598460884 /nfs/dbraw/zinc/46/08/84/598460884.db2.gz FPHNCZNNGFYXQO-KXBFYZLASA-N 0 1 392.463 2.657 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)Nc1cccc2ccccc21 ZINC000737982059 598504803 /nfs/dbraw/zinc/50/48/03/598504803.db2.gz MXPKHQSAVYDRIS-UHFFFAOYSA-N 0 1 396.410 2.974 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc(-c3cccs3)on2)c2ccccc12 ZINC000738370302 598504875 /nfs/dbraw/zinc/50/48/75/598504875.db2.gz BGUATPWMXQAFEZ-UHFFFAOYSA-N 0 1 376.401 2.946 20 0 GFADMN O=S(=O)(C=Cc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738316939 598548921 /nfs/dbraw/zinc/54/89/21/598548921.db2.gz HYASOEJZVUPMEZ-CMDGGOBGSA-N 0 1 393.375 2.881 20 0 GFADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132968 598596224 /nfs/dbraw/zinc/59/62/24/598596224.db2.gz QTRBVHPYLHQNDM-KBPBESRZSA-N 0 1 382.443 2.704 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736132970 598596371 /nfs/dbraw/zinc/59/63/71/598596371.db2.gz QTRBVHPYLHQNDM-UONOGXRCSA-N 0 1 382.443 2.704 20 0 GFADMN CCN(C(=O)c1nnc2ccccc2c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736507499 598627148 /nfs/dbraw/zinc/62/71/48/598627148.db2.gz DMCMKBJSIHWBBI-LBPRGKRZSA-N 0 1 389.419 2.739 20 0 GFADMN C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCc2ccccc2C1 ZINC000736017035 598627584 /nfs/dbraw/zinc/62/75/84/598627584.db2.gz HJAHZAHIPZWWMV-CYBMUJFWSA-N 0 1 395.442 2.574 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1nn[nH]n1 ZINC000737185798 598698859 /nfs/dbraw/zinc/69/88/59/598698859.db2.gz CQRQQCWHKYNQBR-UHFFFAOYSA-N 0 1 396.354 2.960 20 0 GFADMN COC(=O)CCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)c(F)c1 ZINC000736912724 598705526 /nfs/dbraw/zinc/70/55/26/598705526.db2.gz GEVVOTIUKDGMKJ-UHFFFAOYSA-N 0 1 387.390 2.710 20 0 GFADMN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1nnc2ccccc2c1O ZINC000736481690 598718558 /nfs/dbraw/zinc/71/85/58/598718558.db2.gz SNTJJWHTSCRVMQ-UHFFFAOYSA-N 0 1 389.419 2.568 20 0 GFADMN Cc1ccc(-c2nnc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)o2)cc1 ZINC000737287060 598719387 /nfs/dbraw/zinc/71/93/87/598719387.db2.gz CBRCSEUBEJANCC-UHFFFAOYSA-N 0 1 385.387 2.588 20 0 GFADMN C[C@H](C(=O)N1CCCCCC1)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735517559 598765964 /nfs/dbraw/zinc/76/59/64/598765964.db2.gz CIXJEWMYUHHYOU-MRXNPFEDSA-N 0 1 398.511 2.501 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-n3cccc3)c2)cc1-c1nn[nH]n1 ZINC000737186940 598778251 /nfs/dbraw/zinc/77/82/51/598778251.db2.gz LYRDEPSTVPFNSU-UHFFFAOYSA-N 0 1 393.432 2.732 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000736199451 599316987 /nfs/dbraw/zinc/31/69/87/599316987.db2.gz PFDCXPYIXWEALR-AWEZNQCLSA-N 0 1 375.436 2.891 20 0 GFADMN Cc1cccnc1[C@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436038 599355848 /nfs/dbraw/zinc/35/58/48/599355848.db2.gz QNECVTSGNZQFOL-WMLDXEAASA-N 0 1 379.468 2.884 20 0 GFADMN COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC000821782845 599414673 /nfs/dbraw/zinc/41/46/73/599414673.db2.gz PVMQNUNWCHEIJO-UHFFFAOYSA-N 0 1 383.452 2.615 20 0 GFADMN COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC000821782845 599414675 /nfs/dbraw/zinc/41/46/75/599414675.db2.gz PVMQNUNWCHEIJO-UHFFFAOYSA-N 0 1 383.452 2.615 20 0 GFADMN COc1ccc(CNCc2cccc(OC)c2OC(F)F)cc1-c1nn[nH]n1 ZINC000821818504 599437518 /nfs/dbraw/zinc/43/75/18/599437518.db2.gz TZFFGXCYDDVURS-UHFFFAOYSA-N 0 1 391.378 2.775 20 0 GFADMN CC[C@@](C)(NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1nc(C)cs1 ZINC000820853961 599645055 /nfs/dbraw/zinc/64/50/55/599645055.db2.gz QEFLCIDTGFMSDX-MRXNPFEDSA-N 0 1 391.526 2.937 20 0 GFADMN COc1ccc(F)cc1CN1CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000738017828 599709687 /nfs/dbraw/zinc/70/96/87/599709687.db2.gz ORJLOZSRZRALRB-IBGZPJMESA-N 0 1 376.403 2.917 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000581255586 599713907 /nfs/dbraw/zinc/71/39/07/599713907.db2.gz CRDCZOISEBNIQE-GOSISDBHSA-N 0 1 395.452 2.756 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000736213435 599718910 /nfs/dbraw/zinc/71/89/10/599718910.db2.gz CVFUCLYQGGDBMS-MGPUTAFESA-N 0 1 382.460 2.635 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000736213435 599718911 /nfs/dbraw/zinc/71/89/11/599718911.db2.gz CVFUCLYQGGDBMS-MGPUTAFESA-N 0 1 382.460 2.635 20 0 GFADMN CN(C)c1nc(C[NH2+][C@H]2CCCN(C(=O)[O-])C2)c(Cl)n1-c1ccccc1 ZINC000737385074 599730343 /nfs/dbraw/zinc/73/03/43/599730343.db2.gz AVBRZJUJYBXBMF-ZDUSSCGKSA-N 0 1 377.876 2.824 20 0 GFADMN CC(C)(NC(=O)[O-])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000736328165 599736756 /nfs/dbraw/zinc/73/67/56/599736756.db2.gz MMVXIJDSHWXZSX-UHFFFAOYSA-N 0 1 387.402 2.832 20 0 GFADMN COc1c(C)cc(C[N@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC000737839287 599754393 /nfs/dbraw/zinc/75/43/93/599754393.db2.gz JERRSNWUGJTWCN-HXUWFJFHSA-N 0 1 396.487 2.782 20 0 GFADMN COc1c(C)cc(C[N@@H+](C)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC000737839287 599754395 /nfs/dbraw/zinc/75/43/95/599754395.db2.gz JERRSNWUGJTWCN-HXUWFJFHSA-N 0 1 396.487 2.782 20 0 GFADMN CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737069200 599773371 /nfs/dbraw/zinc/77/33/71/599773371.db2.gz ZXBNTYDAKMJIRG-GOEBONIOSA-N 0 1 392.477 2.824 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000739622975 599815006 /nfs/dbraw/zinc/81/50/06/599815006.db2.gz YOUUZHZFINXZBU-QUCCMNQESA-N 0 1 382.435 2.653 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2F)CC1 ZINC000737115041 599836646 /nfs/dbraw/zinc/83/66/46/599836646.db2.gz GVMBKKFACACNPF-UHFFFAOYSA-N 0 1 385.439 2.942 20 0 GFADMN Cc1nn(-c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896959 599854327 /nfs/dbraw/zinc/85/43/27/599854327.db2.gz WNSKLQVLVVBVMF-KRWDZBQOSA-N 0 1 398.507 2.578 20 0 GFADMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000739786081 599866360 /nfs/dbraw/zinc/86/63/60/599866360.db2.gz VTGQXWWHIHJUJP-UHFFFAOYSA-N 0 1 392.358 2.609 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000738458833 599867289 /nfs/dbraw/zinc/86/72/89/599867289.db2.gz CSEBQBJCXMIELH-HXUWFJFHSA-N 0 1 386.423 2.908 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000737285247 599967354 /nfs/dbraw/zinc/96/73/54/599967354.db2.gz PLMSFPDSRYRQKI-QGZVFWFLSA-N 0 1 394.878 2.719 20 0 GFADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000738909246 599974554 /nfs/dbraw/zinc/97/45/54/599974554.db2.gz PNKRXMHCSOODHW-CRAIPNDOSA-N 0 1 384.480 2.577 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[NH+]1CCC(n3cccn3)CC1)CCCC2 ZINC000739279107 599977817 /nfs/dbraw/zinc/97/78/17/599977817.db2.gz SMHLJCOPKAYYLG-UHFFFAOYSA-N 0 1 388.493 2.797 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000574763008 600004696 /nfs/dbraw/zinc/00/46/96/600004696.db2.gz FJHGQUNYGRUXBZ-TZIWHRDSSA-N 0 1 399.487 2.538 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000574763008 600004698 /nfs/dbraw/zinc/00/46/98/600004698.db2.gz FJHGQUNYGRUXBZ-TZIWHRDSSA-N 0 1 399.487 2.538 20 0 GFADMN C[N@@H+](Cc1ccccc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000737494629 600006179 /nfs/dbraw/zinc/00/61/79/600006179.db2.gz YOUCBSPWQLLMCY-GOSISDBHSA-N 0 1 375.469 2.768 20 0 GFADMN C[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@@H+]1CCc2sccc2C1 ZINC000736596134 600016727 /nfs/dbraw/zinc/01/67/27/600016727.db2.gz SBXNTEZDBGPPJZ-ZDUSSCGKSA-N 0 1 385.489 2.918 20 0 GFADMN C[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2sccc2C1 ZINC000736596134 600016729 /nfs/dbraw/zinc/01/67/29/600016729.db2.gz SBXNTEZDBGPPJZ-ZDUSSCGKSA-N 0 1 385.489 2.918 20 0 GFADMN Cc1cc(C)n(CC[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000738376878 600076241 /nfs/dbraw/zinc/07/62/41/600076241.db2.gz IUROEARUCCPYLL-GOSISDBHSA-N 0 1 376.888 2.597 20 0 GFADMN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736742319 600078382 /nfs/dbraw/zinc/07/83/82/600078382.db2.gz RBNKWULYIKWGIX-XIKOKIGWSA-N 0 1 397.834 2.533 20 0 GFADMN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000736742319 600078386 /nfs/dbraw/zinc/07/83/86/600078386.db2.gz RBNKWULYIKWGIX-XIKOKIGWSA-N 0 1 397.834 2.533 20 0 GFADMN C[N@H+](CCc1ccccc1F)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737447217 600080806 /nfs/dbraw/zinc/08/08/06/600080806.db2.gz QJKBWFHVMDRKMF-FQEVSTJZSA-N 0 1 397.450 2.593 20 0 GFADMN C[N@@H+](CCc1ccccc1F)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000737447217 600080808 /nfs/dbraw/zinc/08/08/08/600080808.db2.gz 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601022632 /nfs/dbraw/zinc/02/26/32/601022632.db2.gz TXGSAAADAJTIHA-FXAWDEMLSA-N 0 1 376.522 2.926 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000833223036 601022636 /nfs/dbraw/zinc/02/26/36/601022636.db2.gz TXGSAAADAJTIHA-FXAWDEMLSA-N 0 1 376.522 2.926 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000263574046 601030295 /nfs/dbraw/zinc/03/02/95/601030295.db2.gz NFWZYTFZQIYUNI-JSGCOSHPSA-N 0 1 389.477 2.942 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000263574046 601030299 /nfs/dbraw/zinc/03/02/99/601030299.db2.gz NFWZYTFZQIYUNI-JSGCOSHPSA-N 0 1 389.477 2.942 20 0 GFADMN COc1cc(-c2nc(C[N@@H+](CCC(=O)[O-])C3CCOCC3)cs2)ccc1O ZINC000831856541 601049475 /nfs/dbraw/zinc/04/94/75/601049475.db2.gz IKTCMBAJRXFHFR-UHFFFAOYSA-N 0 1 392.477 2.980 20 0 GFADMN CN(CC(=O)Nc1ccsc1C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830683857 601116161 /nfs/dbraw/zinc/11/61/61/601116161.db2.gz NBJLKQRXYFREIZ-MRXNPFEDSA-N 0 1 387.505 2.981 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000738466159 601119381 /nfs/dbraw/zinc/11/93/81/601119381.db2.gz MXDTUBVWEZDPAX-LBPRGKRZSA-N 0 1 396.369 2.945 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000738466159 601119382 /nfs/dbraw/zinc/11/93/82/601119382.db2.gz MXDTUBVWEZDPAX-LBPRGKRZSA-N 0 1 396.369 2.945 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828369549 601126546 /nfs/dbraw/zinc/12/65/46/601126546.db2.gz LMAKRQUJSJLDJL-OXJNMPFZSA-N 0 1 397.475 2.585 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828369549 601126549 /nfs/dbraw/zinc/12/65/49/601126549.db2.gz LMAKRQUJSJLDJL-OXJNMPFZSA-N 0 1 397.475 2.585 20 0 GFADMN Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000832946513 601137895 /nfs/dbraw/zinc/13/78/95/601137895.db2.gz DNNAKFKOJCVDCF-UHFFFAOYSA-N 0 1 382.464 2.637 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000833190248 601157102 /nfs/dbraw/zinc/15/71/02/601157102.db2.gz WFZDZOUCRPJUHX-IRXDYDNUSA-N 0 1 394.537 2.739 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000833326310 601206228 /nfs/dbraw/zinc/20/62/28/601206228.db2.gz NEJUUPSIVZGPCI-MRXNPFEDSA-N 0 1 392.459 2.834 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000828176858 601213459 /nfs/dbraw/zinc/21/34/59/601213459.db2.gz LUZQULOFBIVXBX-BHIYHBOVSA-N 0 1 385.508 2.936 20 0 GFADMN Cc1oc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C(=O)[O-] ZINC000832962466 601213878 /nfs/dbraw/zinc/21/38/78/601213878.db2.gz YEGFBSLROICGOB-WBVHZDCISA-N 0 1 390.461 2.591 20 0 GFADMN Cc1oc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC000833028215 601222464 /nfs/dbraw/zinc/22/24/64/601222464.db2.gz JQFKRGVHYWLJFD-UKRRQHHQSA-N 0 1 384.498 2.561 20 0 GFADMN Cc1oc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000833028952 601227992 /nfs/dbraw/zinc/22/79/92/601227992.db2.gz VADDEAPWWMSMRU-CJNGLKHVSA-N 0 1 392.477 2.618 20 0 GFADMN CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829395435 601231643 /nfs/dbraw/zinc/23/16/43/601231643.db2.gz FPEJNSIGBOQHLP-QJWNTBNXSA-N 0 1 380.510 2.717 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829395362 601233532 /nfs/dbraw/zinc/23/35/32/601233532.db2.gz DDTOFHVWVFGZSV-LBPRGKRZSA-N 0 1 390.452 2.596 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000828456968 601270998 /nfs/dbraw/zinc/27/09/98/601270998.db2.gz PGBGYIVMHSKOFB-CJNGLKHVSA-N 0 1 388.493 2.802 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659758813 601288271 /nfs/dbraw/zinc/28/82/71/601288271.db2.gz IXVHYHBNWATRRK-OXJNMPFZSA-N 0 1 382.460 2.790 20 0 GFADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000830905154 601318921 /nfs/dbraw/zinc/31/89/21/601318921.db2.gz CJICVPHEBWGKAD-XLIONFOSSA-N 0 1 392.459 2.954 20 0 GFADMN Cc1cc(N2CCC(NC(=O)CCc3ccc(C(=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000832888324 601332174 /nfs/dbraw/zinc/33/21/74/601332174.db2.gz FJIMHBYNTXVICX-UHFFFAOYSA-N 0 1 382.464 2.509 20 0 GFADMN Cc1ccccc1C(=O)NC1CC[NH+](Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000832976437 601397623 /nfs/dbraw/zinc/39/76/23/601397623.db2.gz NLEQNDZQDGVJCD-UHFFFAOYSA-N 0 1 392.459 2.895 20 0 GFADMN C[C@@H]1C[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000828471819 601401389 /nfs/dbraw/zinc/40/13/89/601401389.db2.gz OIIQPJWMAYYCAN-UKRRQHHQSA-N 0 1 388.468 2.927 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000831231322 601426125 /nfs/dbraw/zinc/42/61/25/601426125.db2.gz YQIGMHIKNUULHX-TXEJJXNPSA-N 0 1 380.466 2.602 20 0 GFADMN CC[C@@H](C)C[N@H+](CC)Cn1c(=O)c2c(nc(C)c(CCC(=O)[O-])c2C)n1C ZINC000828746512 601433359 /nfs/dbraw/zinc/43/33/59/601433359.db2.gz DYZIDBDBZSNSEH-CYBMUJFWSA-N 0 1 376.501 2.695 20 0 GFADMN CC[C@@H](C)C[N@@H+](CC)Cn1c(=O)c2c(nc(C)c(CCC(=O)[O-])c2C)n1C ZINC000828746512 601433360 /nfs/dbraw/zinc/43/33/60/601433360.db2.gz DYZIDBDBZSNSEH-CYBMUJFWSA-N 0 1 376.501 2.695 20 0 GFADMN CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000580572522 601433528 /nfs/dbraw/zinc/43/35/28/601433528.db2.gz ZEFPRHPQHBOCHA-APWZRJJASA-N 0 1 395.521 2.824 20 0 GFADMN Cc1nc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000832934710 601509957 /nfs/dbraw/zinc/50/99/57/601509957.db2.gz RTEDVHIPBVJSAP-BBRMVZONSA-N 0 1 387.505 2.942 20 0 GFADMN Cc1nc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)sc1Cc1ccc(C)cc1 ZINC000832934710 601509958 /nfs/dbraw/zinc/50/99/58/601509958.db2.gz RTEDVHIPBVJSAP-BBRMVZONSA-N 0 1 387.505 2.942 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C[C@H]1C(=O)[O-] ZINC000828430810 601528133 /nfs/dbraw/zinc/52/81/33/601528133.db2.gz DRGKNFCNIKHYEW-NFAWXSAZSA-N 0 1 387.461 2.671 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1C(=O)[O-] ZINC000828442182 601536839 /nfs/dbraw/zinc/53/68/39/601536839.db2.gz XWCYNVYHJVDGOA-WFASDCNBSA-N 0 1 387.461 2.591 20 0 GFADMN CCC[C@H]1CN(Cc2occc2C(=O)OC)CC[N@@H+]1Cc1occc1C(=O)[O-] ZINC000829265805 601555141 /nfs/dbraw/zinc/55/51/41/601555141.db2.gz BXEDPNVESOMWRM-AWEZNQCLSA-N 0 1 390.436 2.844 20 0 GFADMN CCC[C@H]1CN(Cc2occc2C(=O)OC)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000829265805 601555142 /nfs/dbraw/zinc/55/51/42/601555142.db2.gz BXEDPNVESOMWRM-AWEZNQCLSA-N 0 1 390.436 2.844 20 0 GFADMN CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000828672867 601556080 /nfs/dbraw/zinc/55/60/80/601556080.db2.gz XEZMVJWWXDVEGL-SFHVURJKSA-N 0 1 376.482 2.510 20 0 GFADMN O=C([O-])c1c(NC(=O)C[N@@H+](CCO)Cc2ccccc2)sc2c1CCCC2 ZINC000833107808 601575184 /nfs/dbraw/zinc/57/51/84/601575184.db2.gz VHQRDJLSUUFZRB-UHFFFAOYSA-N 0 1 388.489 2.758 20 0 GFADMN O=C([O-])c1c(NC(=O)C[N@H+](CCO)Cc2ccccc2)sc2c1CCCC2 ZINC000833107808 601575186 /nfs/dbraw/zinc/57/51/86/601575186.db2.gz VHQRDJLSUUFZRB-UHFFFAOYSA-N 0 1 388.489 2.758 20 0 GFADMN C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826027748 601608643 /nfs/dbraw/zinc/60/86/43/601608643.db2.gz ZWQGDNPUELCRNN-VDGAXYAQSA-N 0 1 381.476 2.872 20 0 GFADMN O=C([O-])c1ccc2c(c1)nc(C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)[nH]c2=O ZINC000833324903 601611667 /nfs/dbraw/zinc/61/16/67/601611667.db2.gz HKQKPMARZVDQQR-QGZVFWFLSA-N 0 1 393.443 2.867 20 0 GFADMN O=C([O-])c1ccc2c(c1)nc(C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)[nH]c2=O ZINC000833324903 601611669 /nfs/dbraw/zinc/61/16/69/601611669.db2.gz HKQKPMARZVDQQR-QGZVFWFLSA-N 0 1 393.443 2.867 20 0 GFADMN C[N@@H+](CCN1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1)Cc1ccccc1 ZINC000830781165 601629286 /nfs/dbraw/zinc/62/92/86/601629286.db2.gz MSGXGQSWZDDQPG-UHFFFAOYSA-N 0 1 385.483 2.774 20 0 GFADMN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC(C)(C)C(=O)[O-])c2c1C ZINC000829900943 601682057 /nfs/dbraw/zinc/68/20/57/601682057.db2.gz HKHYKGFBKSLBCK-UHFFFAOYSA-N 0 1 394.497 2.761 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2cc(F)c(F)c(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128883 601729662 /nfs/dbraw/zinc/72/96/62/601729662.db2.gz PCBBSDBRHKWTQB-FQEVSTJZSA-N 0 1 392.377 2.953 20 0 GFADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000829759272 601775380 /nfs/dbraw/zinc/77/53/80/601775380.db2.gz IATBUSCRCWJTBK-MSOLQXFVSA-N 0 1 389.496 2.698 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000833194466 601787666 /nfs/dbraw/zinc/78/76/66/601787666.db2.gz HDZFGWSMWVWXMK-INIZCTEOSA-N 0 1 384.398 2.689 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000833194466 601787668 /nfs/dbraw/zinc/78/76/68/601787668.db2.gz HDZFGWSMWVWXMK-INIZCTEOSA-N 0 1 384.398 2.689 20 0 GFADMN COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCC(=O)[O-])CC3)C2=O)cc1Cl ZINC000832384059 601788397 /nfs/dbraw/zinc/78/83/97/601788397.db2.gz ROUOIZPSAZVIGT-OAHLLOKOSA-N 0 1 394.855 2.557 20 0 GFADMN C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[NH+]2CCC(CCC(=O)[O-])CC2)C1=O ZINC000828121078 601798130 /nfs/dbraw/zinc/79/81/30/601798130.db2.gz CWXOJVRVZRUPIR-LJQANCHMSA-N 0 1 393.871 2.641 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740409757 601865686 /nfs/dbraw/zinc/86/56/86/601865686.db2.gz ICSJQTQFOKOTGZ-DLBZAZTESA-N 0 1 377.460 2.544 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000740370131 601926542 /nfs/dbraw/zinc/92/65/42/601926542.db2.gz WFHPGHOYSXMTFS-HZPDHXFCSA-N 0 1 377.510 2.630 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000740644487 601955862 /nfs/dbraw/zinc/95/58/62/601955862.db2.gz YLUSHMMVMPUZDM-QUCCMNQESA-N 0 1 381.476 2.676 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc3nn(C(C)C)cc3c2)c1-c1nn[nH]n1 ZINC000826303950 607536124 /nfs/dbraw/zinc/53/61/24/607536124.db2.gz NZMRMQATHARMLW-UHFFFAOYSA-N 0 1 397.464 2.907 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1 ZINC000828257740 602002535 /nfs/dbraw/zinc/00/25/35/602002535.db2.gz JWHIZZNLJNDERZ-INIZCTEOSA-N 0 1 386.558 2.548 20 0 GFADMN O=C([O-])N1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000740415550 602018318 /nfs/dbraw/zinc/01/83/18/602018318.db2.gz HTRIGRNIPZRKMG-MRXNPFEDSA-N 0 1 394.541 2.649 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2F)CC1 ZINC000533195278 602077066 /nfs/dbraw/zinc/07/70/66/602077066.db2.gz BOFRNCTUAXXSCC-UHFFFAOYSA-N 0 1 385.439 2.847 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](CNC(=O)[O-])C3)cc2)C1 ZINC000739104327 602080155 /nfs/dbraw/zinc/08/01/55/602080155.db2.gz LOTCWRFIYJSNQT-LPHOPBHVSA-N 0 1 388.512 2.718 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000739584868 602149731 /nfs/dbraw/zinc/14/97/31/602149731.db2.gz SHGXPMLVQJQNGK-JKSUJKDBSA-N 0 1 394.541 2.744 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568268644 602209719 /nfs/dbraw/zinc/20/97/19/602209719.db2.gz CCBKBWOCCQMJTA-PMACEKPBSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568268644 602209720 /nfs/dbraw/zinc/20/97/20/602209720.db2.gz CCBKBWOCCQMJTA-PMACEKPBSA-N 0 1 382.460 2.794 20 0 GFADMN CN(Cc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1)C(=O)[O-] ZINC000739734744 602292660 /nfs/dbraw/zinc/29/26/60/602292660.db2.gz MQKKZWKGFYPWQU-FQEVSTJZSA-N 0 1 396.491 2.724 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])sc2C1 ZINC000739463531 602352299 /nfs/dbraw/zinc/35/22/99/602352299.db2.gz UGHWYWMKJUFMDZ-BNOWGMLFSA-N 0 1 378.498 2.771 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])sc2C1 ZINC000739463531 602352302 /nfs/dbraw/zinc/35/23/02/602352302.db2.gz UGHWYWMKJUFMDZ-BNOWGMLFSA-N 0 1 378.498 2.771 20 0 GFADMN CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830507033 602363576 /nfs/dbraw/zinc/36/35/76/602363576.db2.gz CSLDJGUTTHBONX-GOSISDBHSA-N 0 1 383.448 2.888 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738636350 602384747 /nfs/dbraw/zinc/38/47/47/602384747.db2.gz DOSWFHKQKHWLTI-LBPRGKRZSA-N 0 1 385.411 2.937 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000826183320 607564475 /nfs/dbraw/zinc/56/44/75/607564475.db2.gz MADDNTZHNYWOTC-MRXNPFEDSA-N 0 1 378.480 2.582 20 0 GFADMN C[C@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000739103609 602396687 /nfs/dbraw/zinc/39/66/87/602396687.db2.gz JMNZZSDGXMYTEH-QZTJIDSGSA-N 0 1 387.524 2.935 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000740596360 602440611 /nfs/dbraw/zinc/44/06/11/602440611.db2.gz XNYDYLDAYHLZKQ-HXUWFJFHSA-N 0 1 381.476 2.600 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000740596360 602440612 /nfs/dbraw/zinc/44/06/12/602440612.db2.gz XNYDYLDAYHLZKQ-HXUWFJFHSA-N 0 1 381.476 2.600 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736789983 602448514 /nfs/dbraw/zinc/44/85/14/602448514.db2.gz SDWPLFOSBLATOJ-MRXNPFEDSA-N 0 1 389.496 2.812 20 0 GFADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC000737765458 602525230 /nfs/dbraw/zinc/52/52/30/602525230.db2.gz WQSMBNJVRNPAGI-HOTGVXAUSA-N 0 1 389.496 2.510 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)[O-] ZINC000739660792 602535267 /nfs/dbraw/zinc/53/52/67/602535267.db2.gz LUKJQPZYWTZCCG-AWEZNQCLSA-N 0 1 389.452 2.598 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1)C(=O)[O-] ZINC000739660792 602535269 /nfs/dbraw/zinc/53/52/69/602535269.db2.gz LUKJQPZYWTZCCG-AWEZNQCLSA-N 0 1 389.452 2.598 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738626538 602539179 /nfs/dbraw/zinc/53/91/79/602539179.db2.gz CZGYKQRQHMUINU-NEPJUHHUSA-N 0 1 384.274 2.708 20 0 GFADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000740690723 602567369 /nfs/dbraw/zinc/56/73/69/602567369.db2.gz FTQNFQLCEXEDJD-VQTJNVASSA-N 0 1 381.476 2.646 20 0 GFADMN CCCN(C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739350613 602618854 /nfs/dbraw/zinc/61/88/54/602618854.db2.gz JOHJLYMJZMMHKJ-ZBFHGGJFSA-N 0 1 394.541 2.669 20 0 GFADMN CCCN(C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739350613 602618855 /nfs/dbraw/zinc/61/88/55/602618855.db2.gz JOHJLYMJZMMHKJ-ZBFHGGJFSA-N 0 1 394.541 2.669 20 0 GFADMN O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000740696054 602683787 /nfs/dbraw/zinc/68/37/87/602683787.db2.gz YSNFDDSDQVUQLE-MOPGFXCFSA-N 0 1 383.448 2.601 20 0 GFADMN C[C@H](CNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000739007004 602701009 /nfs/dbraw/zinc/70/10/09/602701009.db2.gz OCJHISUUSBEXTM-HZPDHXFCSA-N 0 1 388.512 2.511 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730276 602719056 /nfs/dbraw/zinc/71/90/56/602719056.db2.gz VDCLOBOFQHMKKU-QGPMSJSTSA-N 0 1 375.444 2.785 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000740730276 602719057 /nfs/dbraw/zinc/71/90/57/602719057.db2.gz VDCLOBOFQHMKKU-QGPMSJSTSA-N 0 1 375.444 2.785 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(NC(=O)[O-])nc3)CC2)cs1 ZINC000740223820 602726243 /nfs/dbraw/zinc/72/62/43/602726243.db2.gz PVHZAGVRSGNSPG-UHFFFAOYSA-N 0 1 375.454 2.787 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740050357 602766269 /nfs/dbraw/zinc/76/62/69/602766269.db2.gz XYCZXNNHHARRKR-SMDDNHRTSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740050357 602766272 /nfs/dbraw/zinc/76/62/72/602766272.db2.gz XYCZXNNHHARRKR-SMDDNHRTSA-N 0 1 384.274 2.674 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1)C(C)C ZINC000739452204 602775785 /nfs/dbraw/zinc/77/57/85/602775785.db2.gz ONXQDBDPIPLVKD-QAPCUYQASA-N 0 1 376.501 2.838 20 0 GFADMN CCN(c1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1)C(C)C ZINC000739452204 602775789 /nfs/dbraw/zinc/77/57/89/602775789.db2.gz ONXQDBDPIPLVKD-QAPCUYQASA-N 0 1 376.501 2.838 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3CCN(C(=O)[O-])CC3)c2)C[C@H](C)O1 ZINC000737762201 602840000 /nfs/dbraw/zinc/84/00/00/602840000.db2.gz DOIAMLSQRDFTNH-GASCZTMLSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3CCN(C(=O)[O-])CC3)c2)C[C@H](C)O1 ZINC000737762201 602840004 /nfs/dbraw/zinc/84/00/04/602840004.db2.gz DOIAMLSQRDFTNH-GASCZTMLSA-N 0 1 375.469 2.624 20 0 GFADMN CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000736417566 602840115 /nfs/dbraw/zinc/84/01/15/602840115.db2.gz WAPTUSGTVDDHBJ-RKVPGOIHSA-N 0 1 377.485 2.917 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000739190596 602840878 /nfs/dbraw/zinc/84/08/78/602840878.db2.gz ONGWLLUAVPCWJN-RVKKMQEKSA-N 0 1 375.469 2.767 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])c2)C[C@H](C)O1 ZINC000739190596 602840883 /nfs/dbraw/zinc/84/08/83/602840883.db2.gz ONGWLLUAVPCWJN-RVKKMQEKSA-N 0 1 375.469 2.767 20 0 GFADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739268205 602852314 /nfs/dbraw/zinc/85/23/14/602852314.db2.gz MIPJUVKKIUOTAM-INIZCTEOSA-N 0 1 376.501 2.797 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000740699474 602861561 /nfs/dbraw/zinc/86/15/61/602861561.db2.gz TYOVCFSZUXWHMG-INIZCTEOSA-N 0 1 383.448 2.777 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000738834110 602890227 /nfs/dbraw/zinc/89/02/27/602890227.db2.gz IMTSJULGMPCIGZ-SFHVURJKSA-N 0 1 376.501 2.859 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739099723 603028160 /nfs/dbraw/zinc/02/81/60/603028160.db2.gz DGKSAENIMICXOA-IHPCNDPISA-N 0 1 387.524 2.978 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)C1 ZINC000739110650 603035968 /nfs/dbraw/zinc/03/59/68/603035968.db2.gz WILAJRHTECOLQI-HUUCEWRRSA-N 0 1 379.505 2.659 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738513226 603079158 /nfs/dbraw/zinc/07/91/58/603079158.db2.gz OYTWWUACXANGQE-DLBZAZTESA-N 0 1 392.500 2.611 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000740520075 603081631 /nfs/dbraw/zinc/08/16/31/603081631.db2.gz VFCQABKJROZHQB-FHWLQOOXSA-N 0 1 387.480 2.862 20 0 GFADMN CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000826688755 603091522 /nfs/dbraw/zinc/09/15/22/603091522.db2.gz APNBBZYVDPNNHM-MLGOLLRUSA-N 0 1 381.860 2.613 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000740556268 603095847 /nfs/dbraw/zinc/09/58/47/603095847.db2.gz KLOOKYVTWGFKAD-VIQWUECVSA-N 0 1 388.512 2.777 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000740556113 603099217 /nfs/dbraw/zinc/09/92/17/603099217.db2.gz GJHHQUUAUGXYOG-ABHNRTSZSA-N 0 1 380.533 2.909 20 0 GFADMN COc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000739906523 603236527 /nfs/dbraw/zinc/23/65/27/603236527.db2.gz BKDALJYUJTYPLG-OALUTQOASA-N 0 1 389.496 2.651 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000739682455 603253070 /nfs/dbraw/zinc/25/30/70/603253070.db2.gz PYYOPUHLQGZNEN-AWEZNQCLSA-N 0 1 390.465 2.608 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000739682455 603253075 /nfs/dbraw/zinc/25/30/75/603253075.db2.gz PYYOPUHLQGZNEN-AWEZNQCLSA-N 0 1 390.465 2.608 20 0 GFADMN Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CC2)cn1 ZINC000740285334 603303623 /nfs/dbraw/zinc/30/36/23/603303623.db2.gz BFXSNHWSELCQMS-UHFFFAOYSA-N 0 1 391.859 2.512 20 0 GFADMN Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CC2)cn1 ZINC000740285334 603303626 /nfs/dbraw/zinc/30/36/26/603303626.db2.gz BFXSNHWSELCQMS-UHFFFAOYSA-N 0 1 391.859 2.512 20 0 GFADMN C[C@H](c1ccc(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000825630243 603315912 /nfs/dbraw/zinc/31/59/12/603315912.db2.gz PBKCYCYHRAWAOZ-HFTRVMKXSA-N 0 1 390.484 2.638 20 0 GFADMN CCN(Cc1cccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)[O-] ZINC000739448864 603347104 /nfs/dbraw/zinc/34/71/04/603347104.db2.gz ZXAOIJADRQLJJV-IYBDPMFKSA-N 0 1 392.500 2.807 20 0 GFADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C[C@@H]1C ZINC000827399910 603387551 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SSLTZTVMRFBOBX-UHFFFAOYSA-N 0 1 375.392 2.872 20 0 GFADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1cccc(OCc2ccccc2)c1 ZINC000823690638 606742703 /nfs/dbraw/zinc/74/27/03/606742703.db2.gz QJAROUMNVXPLJF-LJQANCHMSA-N 0 1 391.431 2.862 20 0 GFADMN CCCc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1 ZINC000821143379 606750797 /nfs/dbraw/zinc/75/07/97/606750797.db2.gz UFMOKQLKZSWNQG-UHFFFAOYSA-N 0 1 386.481 2.686 20 0 GFADMN CC1(C)CO[C@H](c2ccccc2)CN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606947 606893386 /nfs/dbraw/zinc/89/33/86/606893386.db2.gz GPUHKDUGBHXYGP-OALUTQOASA-N 0 1 379.464 2.752 20 0 GFADMN CC(C)[C@@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820050680 606916767 /nfs/dbraw/zinc/91/67/67/606916767.db2.gz FACQJPIDMJFSJT-OAQYLSRUSA-N 0 1 390.491 2.738 20 0 GFADMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821220909 606968360 /nfs/dbraw/zinc/96/83/60/606968360.db2.gz FZVZORPQRBTCHI-UHFFFAOYSA-N 0 1 382.443 2.730 20 0 GFADMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821220909 606968361 /nfs/dbraw/zinc/96/83/61/606968361.db2.gz FZVZORPQRBTCHI-UHFFFAOYSA-N 0 1 382.443 2.730 20 0 GFADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820300629 607078271 /nfs/dbraw/zinc/07/82/71/607078271.db2.gz RXZUJISKBOWWRK-ZDUSSCGKSA-N 0 1 391.435 2.685 20 0 GFADMN C[C@H]1C[NH+](CCCCNc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C)O1 ZINC000820761621 607173788 /nfs/dbraw/zinc/17/37/88/607173788.db2.gz YSOLDDVPFRELIG-GJZGRUSLSA-N 0 1 381.484 2.716 20 0 GFADMN Fc1ccc2c(c1)[C@H](N1CCN(c3ncccc3-c3nn[nH]n3)CC1)CCC2 ZINC000826376284 607794966 /nfs/dbraw/zinc/79/49/66/607794966.db2.gz WKEMMFWLEKXZGR-GOSISDBHSA-N 0 1 379.443 2.600 20 0 GFADMN C[C@H](NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000824598564 607814540 /nfs/dbraw/zinc/81/45/40/607814540.db2.gz GOERRYHFDKUQMT-LBPRGKRZSA-N 0 1 391.884 2.645 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H]2CCCC[C@H]12 ZINC000824952820 607815247 /nfs/dbraw/zinc/81/52/47/607815247.db2.gz BHFADKLCNNSHAR-ZTFGCOKTSA-N 0 1 389.525 2.541 20 0 GFADMN C[NH+](C)CC1CCN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000825860844 607899844 /nfs/dbraw/zinc/89/98/44/607899844.db2.gz YHFNESLNKZSMLF-UHFFFAOYSA-N 0 1 378.484 2.783 20 0 GFADMN COCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000826158908 607921887 /nfs/dbraw/zinc/92/18/87/607921887.db2.gz IILBZVMPEYMZIA-OAHLLOKOSA-N 0 1 395.463 2.863 20 0 GFADMN COCC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000826158908 607921888 /nfs/dbraw/zinc/92/18/88/607921888.db2.gz IILBZVMPEYMZIA-OAHLLOKOSA-N 0 1 395.463 2.863 20 0 GFADMN CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825323343 607923612 /nfs/dbraw/zinc/92/36/12/607923612.db2.gz UCPDHYATUGUXSC-CGTJXYLNSA-N 0 1 399.495 2.679 20 0 GFADMN CCC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000825323343 607923613 /nfs/dbraw/zinc/92/36/13/607923613.db2.gz UCPDHYATUGUXSC-CGTJXYLNSA-N 0 1 399.495 2.679 20 0 GFADMN CC[C@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825052457 608020774 /nfs/dbraw/zinc/02/07/74/608020774.db2.gz XBTMXAXFZSBXDL-XJKSGUPXSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@H](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825052457 608020775 /nfs/dbraw/zinc/02/07/75/608020775.db2.gz XBTMXAXFZSBXDL-XJKSGUPXSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825052455 608021007 /nfs/dbraw/zinc/02/10/07/608021007.db2.gz XBTMXAXFZSBXDL-CJNGLKHVSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@@H](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825052455 608021008 /nfs/dbraw/zinc/02/10/08/608021008.db2.gz XBTMXAXFZSBXDL-CJNGLKHVSA-N 0 1 396.499 2.510 20 0 GFADMN CCC(CC)[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825094812 608050879 /nfs/dbraw/zinc/05/08/79/608050879.db2.gz CUWOGKAXHGITCK-INIZCTEOSA-N 0 1 384.528 2.973 20 0 GFADMN CCN1C[C@H](C)N(C(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825444287 608227121 /nfs/dbraw/zinc/22/71/21/608227121.db2.gz LGIYLOQIOOZTIR-MNOVXSKESA-N 0 1 379.921 2.631 20 0 GFADMN Cc1cccc2nc(CNC(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304681 608246526 /nfs/dbraw/zinc/24/65/26/608246526.db2.gz UJXCPIRVUDXQJL-UHFFFAOYSA-N 0 1 391.435 2.525 20 0 GFADMN CN(C)c1ncc(CNCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1 ZINC000825883118 608310701 /nfs/dbraw/zinc/31/07/01/608310701.db2.gz BZMMUQKUTGLJAT-UHFFFAOYSA-N 0 1 386.463 2.680 20 0 GFADMN C[C@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555198 608459317 /nfs/dbraw/zinc/45/93/17/608459317.db2.gz VLLIZAKYNPWBAW-HNNXBMFYSA-N 0 1 376.464 2.713 20 0 GFADMN C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555200 608459451 /nfs/dbraw/zinc/45/94/51/608459451.db2.gz VLLIZAKYNPWBAW-OAHLLOKOSA-N 0 1 376.464 2.713 20 0 GFADMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554368 608460261 /nfs/dbraw/zinc/46/02/61/608460261.db2.gz OZPREOOKLRLFAJ-KBPBESRZSA-N 0 1 382.443 2.876 20 0 GFADMN Cc1ccccc1C[C@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307145 608460285 /nfs/dbraw/zinc/46/02/85/608460285.db2.gz XOKZULOLXQUNPZ-HOTGVXAUSA-N 0 1 378.480 2.573 20 0 GFADMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000824529115 608475929 /nfs/dbraw/zinc/47/59/29/608475929.db2.gz DVPKHHZLPYUCON-QWRGUYRKSA-N 0 1 398.492 2.800 20 0 GFADMN CN(CCOc1ccc(Cl)cc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825946470 608500277 /nfs/dbraw/zinc/50/02/77/608500277.db2.gz ZIWKNMBDGFITML-UHFFFAOYSA-N 0 1 383.843 2.679 20 0 GFADMN c1[nH]nc(-c2ccccc2)c1CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826518940 608516052 /nfs/dbraw/zinc/51/60/52/608516052.db2.gz DJEWLFATBFOSMX-UHFFFAOYSA-N 0 1 386.463 2.579 20 0 GFADMN Cn1cc(CN[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c(C(F)(F)F)n1 ZINC000826361202 608524913 /nfs/dbraw/zinc/52/49/13/608524913.db2.gz OVPUOLLFBUHPDA-CQSZACIVSA-N 0 1 377.374 2.786 20 0 GFADMN C[C@@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1Cl ZINC000824572408 608534716 /nfs/dbraw/zinc/53/47/16/608534716.db2.gz URHJEKPELNAPIG-BXUZGUMPSA-N 0 1 391.834 2.750 20 0 GFADMN C[C@@H]1C[C@H]1c1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000824898626 608589368 /nfs/dbraw/zinc/58/93/68/608589368.db2.gz GKQBDKBQZUJVLI-IUODEOHRSA-N 0 1 395.467 2.771 20 0 GFADMN CCn1nc(C)c(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1C ZINC000825806802 608603238 /nfs/dbraw/zinc/60/32/38/608603238.db2.gz FOFWGTGZZIFLJM-UHFFFAOYSA-N 0 1 381.484 2.743 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824109105 608634088 /nfs/dbraw/zinc/63/40/88/608634088.db2.gz NEOCBPPVTROPOU-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824109105 608634091 /nfs/dbraw/zinc/63/40/91/608634091.db2.gz NEOCBPPVTROPOU-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824109105 608634093 /nfs/dbraw/zinc/63/40/93/608634093.db2.gz NEOCBPPVTROPOU-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824109105 608634096 /nfs/dbraw/zinc/63/40/96/608634096.db2.gz NEOCBPPVTROPOU-GFCCVEGCSA-N 0 1 378.502 2.665 20 0 GFADMN Oc1cccc(CN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC2CC2)c1 ZINC000826511240 608655428 /nfs/dbraw/zinc/65/54/28/608655428.db2.gz IATKDEZDDONBLG-UHFFFAOYSA-N 0 1 375.436 2.632 20 0 GFADMN Cc1ccc(C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)s1 ZINC000826281591 608655524 /nfs/dbraw/zinc/65/55/24/608655524.db2.gz ARINKHGEYRHWKV-UHFFFAOYSA-N 0 1 388.522 2.693 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000825323279 608702553 /nfs/dbraw/zinc/70/25/53/608702553.db2.gz RMPQRDNNGVTYNU-UHFFFAOYSA-N 0 1 396.499 2.748 20 0 GFADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211075 608723321 /nfs/dbraw/zinc/72/33/21/608723321.db2.gz KTJHTAZZYMCQSU-GXTWGEPZSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211075 608723324 /nfs/dbraw/zinc/72/33/24/608723324.db2.gz KTJHTAZZYMCQSU-GXTWGEPZSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211075 608723325 /nfs/dbraw/zinc/72/33/25/608723325.db2.gz KTJHTAZZYMCQSU-GXTWGEPZSA-N 0 1 376.461 2.585 20 0 GFADMN O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826507845 608847792 /nfs/dbraw/zinc/84/77/92/608847792.db2.gz XFPJPAWHBIEWPS-GXTWGEPZSA-N 0 1 379.342 2.786 20 0 GFADMN C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547402 609142017 /nfs/dbraw/zinc/14/20/17/609142017.db2.gz NXMMDJYDVQFVRA-FZKQIMNGSA-N 0 1 380.427 2.852 20 0 GFADMN C[C@@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000824539327 609250013 /nfs/dbraw/zinc/25/00/13/609250013.db2.gz MVZWZRZRVBIENI-CYBMUJFWSA-N 0 1 383.477 2.610 20 0 GFADMN 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392.257 2.658 20 0 GFADMN C[C@H](c1noc(Cc2[nH]nc3c2CCCC3)n1)n1cc(Br)cn1 ZINC000843028940 661364884 /nfs/dbraw/zinc/36/48/84/661364884.db2.gz SHUAXTKGQRZBPO-SECBINFHSA-N 0 1 377.246 2.831 20 0 GFADMN Cc1nc(CNC[C@@H](O)COc2ccc(Br)cc2)ccc1[C@H](C)O ZINC000843106061 661368362 /nfs/dbraw/zinc/36/83/62/661368362.db2.gz KGFDEUGLMFCTCF-XJKSGUPXSA-N 0 1 395.297 2.735 20 0 GFADMN CCCS(=O)(=O)CCN1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844395074 661418324 /nfs/dbraw/zinc/41/83/24/661418324.db2.gz BFVCDQUYJRMTDE-JKSUJKDBSA-N 0 1 376.563 2.827 20 0 GFADMN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000844646185 661431236 /nfs/dbraw/zinc/43/12/36/661431236.db2.gz FXHGHDGPXBVNBK-AWEZNQCLSA-N 0 1 390.889 2.515 20 0 GFADMN CCN(CC)CCS(=O)(=O)Oc1ccc(C(C)=O)cc1Br ZINC000845991112 661519461 /nfs/dbraw/zinc/51/94/61/661519461.db2.gz WCLKVGFPTZBPBL-UHFFFAOYSA-N 0 1 378.288 2.702 20 0 GFADMN O=C(N1CCN(Cc2nnc[nH]2)CC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000846527261 661555219 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COC[C@H](CC(C)(C)C)NCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566891 661665274 /nfs/dbraw/zinc/66/52/74/661665274.db2.gz LNBUAKXCXWHSAI-UONOGXRCSA-N 0 1 391.965 2.745 20 0 GFADMN Cn1nc(C(F)(F)F)c(CN2CCC[C@H](N3CCOCC3)CC2)c1Cl ZINC000848930232 661689663 /nfs/dbraw/zinc/68/96/63/661689663.db2.gz OTSDNAJLBDGMKC-LBPRGKRZSA-N 0 1 380.842 2.779 20 0 GFADMN CCc1nc([C@H](C)OC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000849672376 661738831 /nfs/dbraw/zinc/73/88/31/661738831.db2.gz TVBXZNLBDHPIEM-JTQLQIEISA-N 0 1 383.857 2.631 20 0 GFADMN COC(=O)[C@H](OC(=O)CCCCc1cn[nH]n1)c1ccccc1Br ZINC000849758815 661744830 /nfs/dbraw/zinc/74/48/30/661744830.db2.gz YOVMFYPDDZHCJU-OAHLLOKOSA-N 0 1 396.241 2.738 20 0 GFADMN CSC(C)(C)C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000849986721 661759839 /nfs/dbraw/zinc/75/98/39/661759839.db2.gz GJFYOLNGTQNKPV-UHFFFAOYSA-N 0 1 382.551 2.859 20 0 GFADMN CCc1noc(C)c1[C@@H](C)NCCNC(=O)c1ccc(Br)cn1 ZINC000850493181 661779222 /nfs/dbraw/zinc/77/92/22/661779222.db2.gz HSWRSLMQCWZECS-SNVBAGLBSA-N 0 1 381.274 2.784 20 0 GFADMN CCOP(=O)(OCC)[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000851766411 661831096 /nfs/dbraw/zinc/83/10/96/661831096.db2.gz BRQVWQCGENVJNI-KGLIPLIRSA-N 0 1 380.422 2.512 20 0 GFADMN CO[C@@H](CC(C)C)CN1CCC(n2nncc2I)CC1 ZINC000852532058 661866353 /nfs/dbraw/zinc/86/63/53/661866353.db2.gz CEAHKHQJIAJLQE-ZDUSSCGKSA-N 0 1 392.285 2.581 20 0 GFADMN CC(C)(C)OC(=O)NCC[C@@H](O)CN[C@H](CO)c1cccc(Cl)c1Cl ZINC000852679678 661871203 /nfs/dbraw/zinc/87/12/03/661871203.db2.gz XXAZQBGQRSIPLB-BXUZGUMPSA-N 0 1 393.311 2.892 20 0 GFADMN CCOC(=O)CC1(NCc2c(Cl)n(C)nc2C(F)(F)F)CCOCC1 ZINC000852726411 661872138 /nfs/dbraw/zinc/87/21/38/661872138.db2.gz NMWBEOCLQFRNBA-UHFFFAOYSA-N 0 1 383.798 2.684 20 0 GFADMN C[C@@H]1COCCN1C1CCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000854569570 661940049 /nfs/dbraw/zinc/94/00/49/661940049.db2.gz WUDQCJGIBRLIOV-HSBHDXMMSA-N 0 1 383.286 2.767 20 0 GFADMN CC(C)(C)n1ncc(C(=O)NCc2ccc3cncn3c2)c1Br ZINC000854909282 661960576 /nfs/dbraw/zinc/96/05/76/661960576.db2.gz VLFLAUITRDKEJM-UHFFFAOYSA-N 0 1 376.258 2.978 20 0 GFADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCC2CC(C)C2)s1 ZINC000856755323 662042284 /nfs/dbraw/zinc/04/22/84/662042284.db2.gz BOYUFFPRPSMDPT-UHFFFAOYSA-N 0 1 382.301 2.622 20 0 GFADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H]1COCCN1C ZINC000858276653 662107045 /nfs/dbraw/zinc/10/70/45/662107045.db2.gz UBIKCHNYSWWESK-HNNXBMFYSA-N 0 1 383.323 2.967 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858882480 662125863 /nfs/dbraw/zinc/12/58/63/662125863.db2.gz DNNRNXVPJOZBBG-LLVKDONJSA-N 0 1 394.310 2.526 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858882480 662125867 /nfs/dbraw/zinc/12/58/67/662125867.db2.gz DNNRNXVPJOZBBG-LLVKDONJSA-N 0 1 394.310 2.526 20 0 GFADMN O=C(NCc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)o1)C(F)(F)F ZINC000859954908 662180328 /nfs/dbraw/zinc/18/03/28/662180328.db2.gz KSGXTQSJVUFZCY-DGCLKSJQSA-N 0 1 376.400 2.958 20 0 GFADMN CC(C)(C(=O)NCCN1CCC(O)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861922553 662263630 /nfs/dbraw/zinc/26/36/30/662263630.db2.gz MVAGVKBDAWWSBD-INIZCTEOSA-N 0 1 389.323 2.626 20 0 GFADMN O=C(NCc1ccc(C(=O)N2CCC[C@]3(CCSC3)C2)o1)C(F)(F)F ZINC000861932212 662264104 /nfs/dbraw/zinc/26/41/04/662264104.db2.gz QTDORLUIBLZQJH-HNNXBMFYSA-N 0 1 376.400 2.817 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1CCC(CCF)CC1 ZINC000864063050 662353221 /nfs/dbraw/zinc/35/32/21/662353221.db2.gz WCNJLGLGIFSULC-UHFFFAOYSA-N 0 1 378.185 2.604 20 0 GFADMN CN1CCN(C[C@@H](NCc2cccnc2Br)c2ccccc2)CC1 ZINC000865446291 662422058 /nfs/dbraw/zinc/42/20/58/662422058.db2.gz RGPPDCDEMRFGNE-GOSISDBHSA-N 0 1 389.341 2.922 20 0 GFADMN C[C@H](CNCc1cn(C[C@H]2CCCO2)nn1)Oc1ccccc1Br ZINC000865482884 662424685 /nfs/dbraw/zinc/42/46/85/662424685.db2.gz AGYCIMPZUNGMOC-UKRRQHHQSA-N 0 1 395.301 2.777 20 0 GFADMN CNC(=O)[C@H](CNCc1cccnc1Br)Cc1ccc(F)cc1C ZINC000865613148 662432067 /nfs/dbraw/zinc/43/20/67/662432067.db2.gz OOPJWJPPXHVRJH-HNNXBMFYSA-N 0 1 394.288 2.986 20 0 GFADMN CC(C)[C@@H](CNC(=O)c1cc2ccnc(Cl)c2s1)N1CCN(C)CC1 ZINC000865786288 662443390 /nfs/dbraw/zinc/44/33/90/662443390.db2.gz IUSJAKKZRIHKGR-CQSZACIVSA-N 0 1 380.945 2.952 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2[O-])CC[N@@H+]1C ZINC000866050077 662458592 /nfs/dbraw/zinc/45/85/92/662458592.db2.gz VVLRWXCNYIFFLD-CMPLNLGQSA-N 0 1 388.249 2.552 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)c2ccc(I)cc2[O-])CC[N@H+]1C ZINC000866050077 662458595 /nfs/dbraw/zinc/45/85/95/662458595.db2.gz VVLRWXCNYIFFLD-CMPLNLGQSA-N 0 1 388.249 2.552 20 0 GFADMN C/C(=C/c1ccc(Br)o1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000866092182 662460255 /nfs/dbraw/zinc/46/02/55/662460255.db2.gz GHGQLMBKEQHANS-ZVHGMHCTSA-N 0 1 383.286 2.626 20 0 GFADMN O=C(NCC1CN(c2ncnc3cc(Br)sc32)C1)C(F)(F)F ZINC000866294297 662467359 /nfs/dbraw/zinc/46/73/59/662467359.db2.gz NUTLEEMSGKPWIW-UHFFFAOYSA-N 0 1 395.204 2.569 20 0 GFADMN Cc1csc(C(C)(C)NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)n1 ZINC000866797054 662499472 /nfs/dbraw/zinc/49/94/72/662499472.db2.gz JDIGWJNZESCDMZ-QHCPKHFHSA-N 0 1 391.515 2.817 20 0 GFADMN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867268109 662537503 /nfs/dbraw/zinc/53/75/03/662537503.db2.gz LTGUGOLEHWUNEN-CMPLNLGQSA-N 0 1 386.930 2.592 20 0 GFADMN C[C@H](CCO)CCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000867317306 662541913 /nfs/dbraw/zinc/54/19/13/662541913.db2.gz LUCGQRGZCJFQOG-JTQLQIEISA-N 0 1 376.272 2.882 20 0 GFADMN CS(C)(=O)=NS(=O)(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000867379861 662546410 /nfs/dbraw/zinc/54/64/10/662546410.db2.gz YSFPMDRNDQQJSH-CYBMUJFWSA-N 0 1 390.918 2.716 20 0 GFADMN CN1CCN(CCCS(=O)(=O)Oc2c(Cl)ccc3ccccc32)CC1 ZINC000867585404 662561125 /nfs/dbraw/zinc/56/11/25/662561125.db2.gz JEXUDFBOFYMHBK-UHFFFAOYSA-N 0 1 382.913 2.839 20 0 GFADMN N[C@@H](C(=O)NC[C@@H]1OCCc2ccccc21)c1cccc(Br)c1 ZINC000867927748 662587646 /nfs/dbraw/zinc/58/76/46/662587646.db2.gz NCDLJRMJNJBOQE-DLBZAZTESA-N 0 1 375.266 2.879 20 0 GFADMN N[C@@H](C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000867942587 662588392 /nfs/dbraw/zinc/58/83/92/662588392.db2.gz CRIKLXKKGWPZPI-DLBZAZTESA-N 0 1 397.313 2.636 20 0 GFADMN O=C(NCCCc1nc[nH]n1)c1ccc(OC(F)(F)F)cc1Br ZINC000867991343 662590713 /nfs/dbraw/zinc/59/07/13/662590713.db2.gz WNISLCKAOYIMQA-UHFFFAOYSA-N 0 1 393.163 2.828 20 0 GFADMN COC1([C@@H](C)NC(=O)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000868931086 662625255 /nfs/dbraw/zinc/62/52/55/662625255.db2.gz RKJVPONAKJOCFK-SECBINFHSA-N 0 1 376.222 2.608 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1nc(Cl)ccc1Cl ZINC000869042368 662627712 /nfs/dbraw/zinc/62/77/12/662627712.db2.gz AXPRFLTUKQHCKT-HNNXBMFYSA-N 0 1 377.235 2.633 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1cc(Cl)ncc1Cl ZINC000869038988 662627778 /nfs/dbraw/zinc/62/77/78/662627778.db2.gz DAFOPHXUBIPUMW-HNNXBMFYSA-N 0 1 377.235 2.633 20 0 GFADMN CC(=Cc1ccc(Br)o1)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000869186149 662633853 /nfs/dbraw/zinc/63/38/53/662633853.db2.gz CPCGZLIJWCQRSK-DVBBHNHCSA-N 0 1 381.230 2.731 20 0 GFADMN Cc1cccc(C(=O)OCC(=O)CCNC(=O)C(F)(F)F)c1Br ZINC000869451445 662647394 /nfs/dbraw/zinc/64/73/94/662647394.db2.gz DUXIFVNTQLXLIK-UHFFFAOYSA-N 0 1 396.159 2.552 20 0 GFADMN Cn1ncc(C2CCC2)c1C(=O)Nc1n[nH]c2cnc(Br)cc21 ZINC000869769795 662660671 /nfs/dbraw/zinc/66/06/71/662660671.db2.gz CBZYYQWJEAOCFR-UHFFFAOYSA-N 0 1 375.230 2.974 20 0 GFADMN C[C@@H]1CCn2ncc(C(=O)Nc3n[nH]c4cnc(Br)cc43)c2C1 ZINC000869770471 662660850 /nfs/dbraw/zinc/66/08/50/662660850.db2.gz WLJQQKBEJPBXOP-MRVPVSSYSA-N 0 1 375.230 2.752 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3cccc(NC(C)=O)c3C2)c1Br ZINC000870461708 662691079 /nfs/dbraw/zinc/69/10/79/662691079.db2.gz IENCGADWZAZHCS-UHFFFAOYSA-N 0 1 391.269 2.892 20 0 GFADMN Cc1nc(Br)sc1C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000870665353 662698212 /nfs/dbraw/zinc/69/82/12/662698212.db2.gz RDUSARFFCSQFKQ-UHFFFAOYSA-N 0 1 396.314 2.613 20 0 GFADMN N[C@H](C(=O)N1CCCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000870874405 662704398 /nfs/dbraw/zinc/70/43/98/662704398.db2.gz JZWCKIOACSEQKI-AWEZNQCLSA-N 0 1 395.326 2.644 20 0 GFADMN CC(C)CC(=O)N1CCC(NC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870875051 662704402 /nfs/dbraw/zinc/70/44/02/662704402.db2.gz UKOSDJOVKXARIZ-KRWDZBQOSA-N 0 1 396.329 2.602 20 0 GFADMN COCCNc1ccccc1CNC(=O)[C@H](N)c1cccc(Br)c1 ZINC000870903148 662707435 /nfs/dbraw/zinc/70/74/35/662707435.db2.gz SPZZIKFVFDDILT-QGZVFWFLSA-N 0 1 392.297 2.824 20 0 GFADMN Cc1nn(C)c(Br)c1C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870909810 662707625 /nfs/dbraw/zinc/70/76/25/662707625.db2.gz JNPYDJAYGKSOAI-HNNXBMFYSA-N 0 1 391.313 2.804 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000871790298 662734119 /nfs/dbraw/zinc/73/41/19/662734119.db2.gz JNYVHRLIBKRNAZ-GFCCVEGCSA-N 0 1 388.917 2.889 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])sc2C)C1 ZINC000871871362 662738331 /nfs/dbraw/zinc/73/83/31/662738331.db2.gz YEYNAQGNGHSSIJ-ZDUSSCGKSA-N 0 1 388.555 2.934 20 0 GFADMN CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000871895316 662740103 /nfs/dbraw/zinc/74/01/03/662740103.db2.gz NZEBSHILIMFPOD-LLVKDONJSA-N 0 1 392.880 2.672 20 0 GFADMN Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000871895509 662740131 /nfs/dbraw/zinc/74/01/31/662740131.db2.gz RVQOXYJZVNJADW-AWEZNQCLSA-N 0 1 388.917 2.842 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000871946064 662744880 /nfs/dbraw/zinc/74/48/80/662744880.db2.gz JYXDPSFIWYWVKB-RYUDHWBXSA-N 0 1 388.917 2.745 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000871946151 662745110 /nfs/dbraw/zinc/74/51/10/662745110.db2.gz MGRVZHFEDSXIAN-QWRGUYRKSA-N 0 1 392.880 2.576 20 0 GFADMN COCc1nc(CN[C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)n[nH]1 ZINC000872085634 662755669 /nfs/dbraw/zinc/75/56/69/662755669.db2.gz OBDINUQFWJOCCN-WBMJQRKESA-N 0 1 381.274 2.581 20 0 GFADMN CCS(=O)(=O)C1(CNCc2c(Br)c3ccccc3n2C)CC1 ZINC000873138157 662801337 /nfs/dbraw/zinc/80/13/37/662801337.db2.gz BTZKZFIBWJFFFN-UHFFFAOYSA-N 0 1 385.327 2.998 20 0 GFADMN CCC(CC)N(CCOC)C(=O)c1cnc(I)c(O)c1 ZINC000874083745 662822194 /nfs/dbraw/zinc/82/21/94/662822194.db2.gz QMOAWSDNZBNZLJ-UHFFFAOYSA-N 0 1 392.237 2.669 20 0 GFADMN O=C(CN1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000874271435 662827175 /nfs/dbraw/zinc/82/71/75/662827175.db2.gz CUTXJQVNONZOEP-UHFFFAOYSA-N 0 1 381.314 2.709 20 0 GFADMN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Oc2cc(Br)ccc2F)cn1 ZINC000875529939 662847478 /nfs/dbraw/zinc/84/74/78/662847478.db2.gz DHIANZJQMHVHRB-KBPBESRZSA-N 0 1 396.260 2.963 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000875630003 662849245 /nfs/dbraw/zinc/84/92/45/662849245.db2.gz AKIAASFLPNRTFQ-NWANDNLSSA-N 0 1 388.269 2.582 20 0 GFADMN CCS(=O)(=O)C[C@@H](C)N(C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876736095 662865598 /nfs/dbraw/zinc/86/55/98/662865598.db2.gz GAZALNIQUXLZAI-HZPDHXFCSA-N 0 1 376.563 2.779 20 0 GFADMN CN(Cc1cnc2c(cnn2C)c1)[C@H](CO)c1cccc(Br)c1 ZINC000876783406 662866449 /nfs/dbraw/zinc/86/64/49/662866449.db2.gz AVTDFVZELGGTML-MRXNPFEDSA-N 0 1 375.270 2.896 20 0 GFADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc2ccc(Br)cc2c1 ZINC000876847334 662867310 /nfs/dbraw/zinc/86/73/10/662867310.db2.gz IHMQCJZFKMMUAE-INIZCTEOSA-N 0 1 391.265 2.579 20 0 GFADMN COc1cc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)cc(Cl)c1OC ZINC000876999152 662869506 /nfs/dbraw/zinc/86/95/06/662869506.db2.gz WQJHHMQAHLBGRH-UHFFFAOYSA-N 0 1 390.933 2.697 20 0 GFADMN C[C@@H](NCc1ccc(S(N)(=O)=O)s1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067386 662870677 /nfs/dbraw/zinc/87/06/77/662870677.db2.gz CQHJAYVEEOOBCF-XLKFXECMSA-N 0 1 395.333 2.914 20 0 GFADMN COC(=O)c1ccc(CNC[C@H](OC)C2CCOCC2)c(Br)c1 ZINC000877526930 662878062 /nfs/dbraw/zinc/87/80/62/662878062.db2.gz GUJQGEQHSLMTRR-INIZCTEOSA-N 0 1 386.286 2.767 20 0 GFADMN Cn1ncc(Br)c1CNC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000877675256 662881503 /nfs/dbraw/zinc/88/15/03/662881503.db2.gz PQPFIHULYFQINR-BDJLRTHQSA-N 0 1 385.306 2.529 20 0 GFADMN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cc(OC)c(OC)cc1Br)C2 ZINC000877722929 662882547 /nfs/dbraw/zinc/88/25/47/662882547.db2.gz QFPIIMHSGOJSTE-PEBVRCNWSA-N 0 1 384.270 2.898 20 0 GFADMN CCOc1c(Cl)cc(CN2CC(CNC(=O)C(F)(F)F)C2)cc1OC ZINC000877779072 662883531 /nfs/dbraw/zinc/88/35/31/662883531.db2.gz XURMBTYQPIZXLJ-UHFFFAOYSA-N 0 1 380.794 2.858 20 0 GFADMN Cn1ncc(Br)c1CC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000877932358 662886422 /nfs/dbraw/zinc/88/64/22/662886422.db2.gz DHFYMAXPOUTQHM-OAHLLOKOSA-N 0 1 395.301 2.662 20 0 GFADMN COC(=O)c1scc(C)c1NC(=O)[C@H](C)N[C@@H](CCO)c1cccs1 ZINC000878409343 662895755 /nfs/dbraw/zinc/89/57/55/662895755.db2.gz KCBPNARBDGTXGW-RYUDHWBXSA-N 0 1 382.507 2.945 20 0 GFADMN O=C1OCCN1C1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000878996987 662912632 /nfs/dbraw/zinc/91/26/32/662912632.db2.gz TVFGPTMAGQZVEQ-HNNXBMFYSA-N 0 1 389.279 2.650 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(CCCS(C)(=O)=O)C1 ZINC000879653085 662934243 /nfs/dbraw/zinc/93/42/43/662934243.db2.gz MJBFWAAMXWIJHM-SFHVURJKSA-N 0 1 376.563 2.684 20 0 GFADMN O=C(NCCN1CCCOCC1)c1ccc(OC(F)F)c(Br)c1 ZINC000879665265 662935129 /nfs/dbraw/zinc/93/51/29/662935129.db2.gz HIPVPSCWJZUIHV-UHFFFAOYSA-N 0 1 393.228 2.503 20 0 GFADMN C[C@@]1(NC(=O)C(F)(F)F)CCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000879762210 662938820 /nfs/dbraw/zinc/93/88/20/662938820.db2.gz CWMZQJPPDRUBNV-TZMCWYRMSA-N 0 1 395.219 2.625 20 0 GFADMN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000879762210 662938822 /nfs/dbraw/zinc/93/88/22/662938822.db2.gz CWMZQJPPDRUBNV-TZMCWYRMSA-N 0 1 395.219 2.625 20 0 GFADMN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000879762210 662938824 /nfs/dbraw/zinc/93/88/24/662938824.db2.gz CWMZQJPPDRUBNV-TZMCWYRMSA-N 0 1 395.219 2.625 20 0 GFADMN O=C(CN1CCCSC[C@H]1c1ccccc1)NC(=O)NCC(F)(F)F ZINC000880386688 662959084 /nfs/dbraw/zinc/95/90/84/662959084.db2.gz JSGUUADQDCQFQM-ZDUSSCGKSA-N 0 1 375.416 2.555 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CCS1 ZINC000880438664 662960111 /nfs/dbraw/zinc/96/01/11/662960111.db2.gz REIRUZLLTDNRQR-SECBINFHSA-N 0 1 379.379 2.973 20 0 GFADMN COc1cc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c(Br)cc1O ZINC000880442240 662960299 /nfs/dbraw/zinc/96/02/99/662960299.db2.gz XVSKVMXXRWUFKP-ABKXIKBNSA-N 0 1 394.269 2.869 20 0 GFADMN O[C@H](CN1Cc2ccccc2N2CCC[C@H]2C1)c1cc(Br)no1 ZINC000880555402 662962602 /nfs/dbraw/zinc/96/26/02/662962602.db2.gz JAXSNGFTQLPYER-DZGCQCFKSA-N 0 1 378.270 2.955 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)NC[C@@H](O)c2ccccc2Br)c1 ZINC000880601565 662963909 /nfs/dbraw/zinc/96/39/09/662963909.db2.gz AVUZEPLGEFLDFS-OAHLLOKOSA-N 0 1 393.285 2.761 20 0 GFADMN CC(=O)c1ccc(Br)c(NC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000880807598 662973537 /nfs/dbraw/zinc/97/35/37/662973537.db2.gz BZDODRDUVDPLPT-CQSZACIVSA-N 0 1 398.301 2.620 20 0 GFADMN CN(C1CCN(CCc2ccccn2)CC1)S(=O)(=O)CC=C(Cl)Cl ZINC000881846721 663005700 /nfs/dbraw/zinc/00/57/00/663005700.db2.gz UWOGUPQOIJNDBV-UHFFFAOYSA-N 0 1 392.352 2.669 20 0 GFADMN O=S(=O)(CC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000882030734 663014195 /nfs/dbraw/zinc/01/41/95/663014195.db2.gz XOURMWNGPZNQPW-VXGBXAGGSA-N 0 1 393.340 2.775 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882147334 663018429 /nfs/dbraw/zinc/01/84/29/663018429.db2.gz BKBJANHIATWNQG-JTQLQIEISA-N 0 1 385.839 2.859 20 0 GFADMN CCc1nnc(CNS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)s1 ZINC000882210296 663020726 /nfs/dbraw/zinc/02/07/26/663020726.db2.gz USTBMPLBJJTRIK-UHFFFAOYSA-N 0 1 386.808 2.646 20 0 GFADMN Cc1ccc(CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)c(Cl)n1 ZINC000882669197 663035879 /nfs/dbraw/zinc/03/58/79/663035879.db2.gz VYSLBLAQCVMIPM-QFIPXVFZSA-N 0 1 379.935 2.808 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)cnc1Cl ZINC000882789370 663042041 /nfs/dbraw/zinc/04/20/41/663042041.db2.gz STXRMMKMJDIIKD-INIZCTEOSA-N 0 1 381.841 2.799 20 0 GFADMN COC(=O)c1c(C)c(C)sc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC000883538270 663056821 /nfs/dbraw/zinc/05/68/21/663056821.db2.gz QJTNTPXOMVIJAW-UHFFFAOYSA-N 0 1 380.495 2.657 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)n1 ZINC000884085077 663064780 /nfs/dbraw/zinc/06/47/80/663064780.db2.gz LEUREVLZFUAGDG-SNVBAGLBSA-N 0 1 398.330 2.861 20 0 GFADMN CSCc1nnc(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)[nH]1 ZINC000884085077 663064783 /nfs/dbraw/zinc/06/47/83/663064783.db2.gz LEUREVLZFUAGDG-SNVBAGLBSA-N 0 1 398.330 2.861 20 0 GFADMN Cc1cnc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000885081656 663084407 /nfs/dbraw/zinc/08/44/07/663084407.db2.gz YYBFVXBWJHIIJB-GFCCVEGCSA-N 0 1 381.889 2.607 20 0 GFADMN O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000885975858 663102195 /nfs/dbraw/zinc/10/21/95/663102195.db2.gz YCQXJICWVCJEMX-CJNGLKHVSA-N 0 1 390.958 2.525 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000886239395 663105614 /nfs/dbraw/zinc/10/56/14/663105614.db2.gz VZGOMYPGEDEHRS-INIZCTEOSA-N 0 1 385.888 2.966 20 0 GFADMN COc1cc(Br)c(CNCc2nc(CSC)n[nH]2)cc1OC ZINC000886328402 663108300 /nfs/dbraw/zinc/10/83/00/663108300.db2.gz IGWQLPGJEFACRO-UHFFFAOYSA-N 0 1 387.303 2.737 20 0 GFADMN COc1cc(Br)c(CNCc2nnc(CSC)[nH]2)cc1OC ZINC000886328402 663108302 /nfs/dbraw/zinc/10/83/02/663108302.db2.gz IGWQLPGJEFACRO-UHFFFAOYSA-N 0 1 387.303 2.737 20 0 GFADMN CSCc1n[nH]c(CNCc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000886327377 663108322 /nfs/dbraw/zinc/10/83/22/663108322.db2.gz HQEGCEAJHGMEQV-UHFFFAOYSA-N 0 1 399.314 2.881 20 0 GFADMN CSCc1nnc(CNCc2cc(Br)c3c(c2)OCCCO3)[nH]1 ZINC000886327377 663108326 /nfs/dbraw/zinc/10/83/26/663108326.db2.gz HQEGCEAJHGMEQV-UHFFFAOYSA-N 0 1 399.314 2.881 20 0 GFADMN Cc1cc(N2C[C@@H]3CSC[C@@H]3C2)nc([C@@H](C)N2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886568492 663113840 /nfs/dbraw/zinc/11/38/40/663113840.db2.gz LPWJPTKLGIHPOI-UUAJXVIYSA-N 0 1 376.595 2.940 20 0 GFADMN O=S(=O)([N-]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(F)c1Cl ZINC000886897618 663124049 /nfs/dbraw/zinc/12/40/49/663124049.db2.gz CGOXMNJKKAIDNN-SSDOTTSWSA-N 0 1 377.215 2.656 20 0 GFADMN C[C@H]1CO[C@@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1 ZINC000887743948 663159966 /nfs/dbraw/zinc/15/99/66/663159966.db2.gz MNCLSHXDRQAHED-MLGOLLRUSA-N 0 1 382.302 2.564 20 0 GFADMN CSCc1n[nH]c(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)n1 ZINC000887865660 663166447 /nfs/dbraw/zinc/16/64/47/663166447.db2.gz LSEYBDMPTVXDKK-VWLOTQADSA-N 0 1 393.416 2.617 20 0 GFADMN CSCc1nnc(CNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)[nH]1 ZINC000887865660 663166449 /nfs/dbraw/zinc/16/64/49/663166449.db2.gz LSEYBDMPTVXDKK-VWLOTQADSA-N 0 1 393.416 2.617 20 0 GFADMN Cn1c(CNC(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]c1=O ZINC000888149266 663180963 /nfs/dbraw/zinc/18/09/63/663180963.db2.gz CEIHNXVPYDFTQF-UHFFFAOYSA-N 0 1 394.273 2.552 20 0 GFADMN CC[C@H](C(=O)N1CCN(C)CCN(C)CC1)c1ccc(Br)cc1 ZINC000888979475 663227967 /nfs/dbraw/zinc/22/79/67/663227967.db2.gz UZSXKPDGRZIKRX-KRWDZBQOSA-N 0 1 382.346 2.649 20 0 GFADMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)[C@@H]1CCc2ncncc2C1 ZINC000889646758 663253334 /nfs/dbraw/zinc/25/33/34/663253334.db2.gz QNEYJVQCTJDHGV-MRVPVSSYSA-N 0 1 390.216 2.998 20 0 GFADMN CCO[C@H](C(=O)Nc1nc2cc(Br)c(F)cc2[nH]1)[C@@H]1CCOC1 ZINC000889646511 663253548 /nfs/dbraw/zinc/25/35/48/663253548.db2.gz MZLBLJROZFKCFF-OQPBUACISA-N 0 1 386.221 2.845 20 0 GFADMN CCCCS(=O)(=O)CC(=O)Nc1nc2cc(Br)c(F)cc2[nH]1 ZINC000889647804 663253787 /nfs/dbraw/zinc/25/37/87/663253787.db2.gz CXASCFHOJPKQML-UHFFFAOYSA-N 0 1 392.250 2.618 20 0 GFADMN Cn1ncc2c1C[C@H](C(=O)Nc1nc3cc(Br)c(F)cc3[nH]1)CC2 ZINC000889648095 663253840 /nfs/dbraw/zinc/25/38/40/663253840.db2.gz NLQZOZVHMISRAY-MRVPVSSYSA-N 0 1 392.232 2.942 20 0 GFADMN O=C(CSc1cccc(Br)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889760172 663264213 /nfs/dbraw/zinc/26/42/13/663264213.db2.gz CBHWLJQPGCSQTO-HOTGVXAUSA-N 0 1 399.354 2.599 20 0 GFADMN Cc1nnc(SCC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)[nH]1 ZINC000890482377 663302543 /nfs/dbraw/zinc/30/25/43/663302543.db2.gz SAVMBEDFFMWBJL-UHFFFAOYSA-N 0 1 378.885 2.980 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)n1 ZINC000890482377 663302548 /nfs/dbraw/zinc/30/25/48/663302548.db2.gz SAVMBEDFFMWBJL-UHFFFAOYSA-N 0 1 378.885 2.980 20 0 GFADMN CCN1CCC(NC(=O)c2cnc(N(C)C)c(Cl)c2)(C(F)(F)F)CC1 ZINC000891211827 663329864 /nfs/dbraw/zinc/32/98/64/663329864.db2.gz LJQPCOOCJZYJFR-UHFFFAOYSA-N 0 1 378.826 2.948 20 0 GFADMN C[C@H](CNC(=O)NCc1cc(N)ccn1)Oc1ccc(Br)cc1 ZINC000891617128 663345500 /nfs/dbraw/zinc/34/55/00/663345500.db2.gz RLODZQVWRHJKJO-LLVKDONJSA-N 0 1 379.258 2.693 20 0 GFADMN Cn1nc2c(c1C(=O)Nc1nc(-c3ccccc3Br)n[nH]1)CCC2 ZINC000892086464 663361130 /nfs/dbraw/zinc/36/11/30/663361130.db2.gz WOYVORFXMJZPCX-UHFFFAOYSA-N 0 1 387.241 2.709 20 0 GFADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@@H]1CCO[C@H]1C1CC1 ZINC000892085878 663361158 /nfs/dbraw/zinc/36/11/58/663361158.db2.gz RFJCDKHIYUJRJH-YPMHNXCESA-N 0 1 377.242 2.988 20 0 GFADMN CCOc1ccc(C[C@@H](CNCc2nc(Br)c[nH]2)C(=O)OC)cc1 ZINC000892402746 663372360 /nfs/dbraw/zinc/37/23/60/663372360.db2.gz 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O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1CNCCO1 ZINC000236575293 553069111 /nfs/dbraw/zinc/06/91/11/553069111.db2.gz NAKJEWYYFAJMSG-AWEZNQCLSA-N 0 1 378.226 2.563 20 0 GFADMN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1Br ZINC000237321861 553076534 /nfs/dbraw/zinc/07/65/34/553076534.db2.gz SRSGDZOFHJUPES-INIZCTEOSA-N 0 1 375.266 2.788 20 0 GFADMN Cc1nc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CCO2)n[nH]1 ZINC000245451793 553090793 /nfs/dbraw/zinc/09/07/93/553090793.db2.gz PVGUPWQAHMMONO-RNCFNFMXSA-N 0 1 384.267 2.820 20 0 GFADMN CN(CC(=O)N(C)Cc1ccccc1Br)C[C@H]1CCCC[C@H]1O ZINC000245547222 553092932 /nfs/dbraw/zinc/09/29/32/553092932.db2.gz MOQDWLKPEMGELM-NVXWUHKLSA-N 0 1 383.330 2.890 20 0 GFADMN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(Br)n1 ZINC000245868489 553098372 /nfs/dbraw/zinc/09/83/72/553098372.db2.gz KPJCUYDPIUCAGR-DZGCQCFKSA-N 0 1 389.297 2.880 20 0 GFADMN CC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000246453661 553107815 /nfs/dbraw/zinc/10/78/15/553107815.db2.gz 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C[C@@H](NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1Br ZINC000249097793 553138936 /nfs/dbraw/zinc/13/89/36/553138936.db2.gz ISSHMIAZKNGFMM-UONOGXRCSA-N 0 1 398.345 2.997 20 0 GFADMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1sccc1Br ZINC000249182497 553140210 /nfs/dbraw/zinc/14/02/10/553140210.db2.gz NLXILZSQQHCJTK-QWRGUYRKSA-N 0 1 381.361 2.909 20 0 GFADMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1Br ZINC000249166374 553140263 /nfs/dbraw/zinc/14/02/63/553140263.db2.gz KFEDMEDYBJMXHT-OLZOCXBDSA-N 0 1 375.332 2.848 20 0 GFADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)NC[C@H]1CCCO1 ZINC000249490006 553143826 /nfs/dbraw/zinc/14/38/26/553143826.db2.gz ZFSMMPLSGYEECU-HZPDHXFCSA-N 0 1 383.330 2.997 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249712561 553145441 /nfs/dbraw/zinc/14/54/41/553145441.db2.gz YXORCUUFGFBSMI-RYUDHWBXSA-N 0 1 393.322 3.000 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(I)s1 ZINC000261598639 553153994 /nfs/dbraw/zinc/15/39/94/553153994.db2.gz 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C[C@@H](C[N@@H+](C)Cc1cc(Br)cc(Br)c1N)C(=O)[O-] ZINC000263498870 553188440 /nfs/dbraw/zinc/18/84/40/553188440.db2.gz KIWFQNLOEXFFKX-ZETCQYMHSA-N 0 1 380.080 2.946 20 0 GFADMN O=C([O-])[C@@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000263575361 553189890 /nfs/dbraw/zinc/18/98/90/553189890.db2.gz OXNFEBZGPIUOJW-WBHUJUFNSA-N 0 1 393.281 2.741 20 0 GFADMN Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000416567482 563849867 /nfs/dbraw/zinc/84/98/67/563849867.db2.gz VZSHMDJSFBXUIP-CYBMUJFWSA-N 0 1 375.332 2.768 20 0 GFADMN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000545369359 564420970 /nfs/dbraw/zinc/42/09/70/564420970.db2.gz CCBOTAPTMZCZBD-NEPJUHHUSA-N 0 1 391.331 2.973 20 0 GFADMN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000545369359 564420976 /nfs/dbraw/zinc/42/09/76/564420976.db2.gz CCBOTAPTMZCZBD-NEPJUHHUSA-N 0 1 391.331 2.973 20 0 GFADMN CCc1nc([C@H](C)NC(=O)c2ccn(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000294699217 563213146 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Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C)N1CC(C)C1 ZINC000568192112 564407910 /nfs/dbraw/zinc/40/79/10/564407910.db2.gz CCGKKWXWJYKGOW-CYBMUJFWSA-N 0 1 382.302 2.543 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc3ncsc3c2)cc1OC ZINC000478692556 564411470 /nfs/dbraw/zinc/41/14/70/564411470.db2.gz NQQZJDCGVFATPA-UHFFFAOYSA-N 0 1 378.431 2.892 20 0 GFADMN CNC(=O)COc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)c(C)c1 ZINC000478708730 564412745 /nfs/dbraw/zinc/41/27/45/564412745.db2.gz BYYPOZGFYIUFEF-UHFFFAOYSA-N 0 1 382.869 2.882 20 0 GFADMN CCN(CC(=O)NCc1c(Br)cncc1Br)C1CC1 ZINC000452407656 564414580 /nfs/dbraw/zinc/41/45/80/564414580.db2.gz MBGFJLJTVRNRDQ-UHFFFAOYSA-N 0 1 391.107 2.707 20 0 GFADMN C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1C ZINC000513053583 564418539 /nfs/dbraw/zinc/41/85/39/564418539.db2.gz WQBPNSKIJWWDAI-BETUJISGSA-N 0 1 397.317 2.512 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000513143464 564422294 /nfs/dbraw/zinc/42/22/94/564422294.db2.gz 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O=S1(=O)CC[C@@H](N[C@H](CO)C2CCCC2)c2cc(Br)ccc21 ZINC000571963743 564574714 /nfs/dbraw/zinc/57/47/14/564574714.db2.gz SJTLLQQCVBDTSS-HUUCEWRRSA-N 0 1 388.327 2.808 20 0 GFADMN O=C(COc1ccc(F)cc1Br)Nc1nc(-c2ccco2)n[nH]1 ZINC000484042434 564580726 /nfs/dbraw/zinc/58/07/26/564580726.db2.gz NEHBBFQIJIYSRD-UHFFFAOYSA-N 0 1 381.161 2.984 20 0 GFADMN O=S(=O)(NCc1nc2cccc(Br)c2[nH]1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000519631799 564584620 /nfs/dbraw/zinc/58/46/20/564584620.db2.gz HYSXHNCPIVITEP-GBIKHYSHSA-N 0 1 384.299 2.933 20 0 GFADMN CN(C)C(=O)C1(NC(=O)c2cc(Br)cc3nc[nH]c32)CCCCC1 ZINC000456089870 564587787 /nfs/dbraw/zinc/58/77/87/564587787.db2.gz XAGNWPPXDYZEJH-UHFFFAOYSA-N 0 1 393.285 2.846 20 0 GFADMN O=C(NC1(c2nn[nH]n2)CC1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000572341639 564590632 /nfs/dbraw/zinc/59/06/32/564590632.db2.gz XLVNVKLGVFHIBI-YPMHNXCESA-N 0 1 382.251 2.780 20 0 GFADMN CCS(=O)(=O)NCCCN(C)Cc1ccc(Br)cc1Cl ZINC000484563773 564590952 /nfs/dbraw/zinc/59/09/52/564590952.db2.gz 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/nfs/dbraw/zinc/04/81/98/566048198.db2.gz WETOLGWISWEXMK-LLVKDONJSA-N 0 1 390.241 2.830 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2OC)ccc1OC ZINC000610057745 566062526 /nfs/dbraw/zinc/06/25/26/566062526.db2.gz RFBAKIMZCAXZAS-UHFFFAOYSA-N 0 1 385.825 2.945 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000655608729 566072624 /nfs/dbraw/zinc/07/26/24/566072624.db2.gz HSCYKAQTMUYQMC-AWEZNQCLSA-N 0 1 375.332 2.613 20 0 GFADMN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655631282 566073743 /nfs/dbraw/zinc/07/37/43/566073743.db2.gz ZEQLRUNRDAWSDW-LBPRGKRZSA-N 0 1 391.280 2.583 20 0 GFADMN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000655632250 566074379 /nfs/dbraw/zinc/07/43/79/566074379.db2.gz IDVOOTOIRQEIPS-DTORHVGOSA-N 0 1 399.713 2.860 20 0 GFADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1Br ZINC000655668139 566080786 /nfs/dbraw/zinc/08/07/86/566080786.db2.gz BLBXEJCDDQTGAN-KBPBESRZSA-N 0 1 391.306 2.883 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000655769891 566088648 /nfs/dbraw/zinc/08/86/48/566088648.db2.gz RLAWLNUPCYDRIL-ZBEGNZNMSA-N 0 1 377.286 2.557 20 0 GFADMN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000610573247 566089012 /nfs/dbraw/zinc/08/90/12/566089012.db2.gz GUAJOWSLRQEXJM-LBPRGKRZSA-N 0 1 376.236 2.882 20 0 GFADMN C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC000655867566 566092966 /nfs/dbraw/zinc/09/29/66/566092966.db2.gz JMVDOEDSYZQOLR-NSHDSACASA-N 0 1 388.295 2.978 20 0 GFADMN O=C(c1cccc(Br)c1)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633524628 566108236 /nfs/dbraw/zinc/10/82/36/566108236.db2.gz MXAZSULSXMJIPF-UHFFFAOYSA-N 0 1 376.254 2.876 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@H](n2cncn2)C1 ZINC000656255425 566117953 /nfs/dbraw/zinc/11/79/53/566117953.db2.gz JIZLPXHERXJNEG-KRWDZBQOSA-N 0 1 387.285 2.982 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN1CC[C@H](n2cncn2)C1 ZINC000656255629 566119206 /nfs/dbraw/zinc/11/92/06/566119206.db2.gz LCJJKHPGJDJNTO-HNNXBMFYSA-N 0 1 387.285 2.982 20 0 GFADMN COc1ccc(-c2n[nH]c(NC(=O)CSCC(F)(F)F)n2)cc1OC ZINC000611186393 566119411 /nfs/dbraw/zinc/11/94/11/566119411.db2.gz LYIQTXLOFJTXRK-UHFFFAOYSA-N 0 1 376.360 2.723 20 0 GFADMN COC(=O)[C@@H](NC(=O)c1cccc(Br)c1O)c1ccccc1F ZINC000611282356 566124056 /nfs/dbraw/zinc/12/40/56/566124056.db2.gz MWMIEDDLMQCPDW-ZDUSSCGKSA-N 0 1 382.185 2.938 20 0 GFADMN O=C(CNC(=O)[C@H]1CCCN1C1CCCC1)c1cncc(Br)c1 ZINC000633931120 566131636 /nfs/dbraw/zinc/13/16/36/566131636.db2.gz UONJCTMQMFMINH-OAHLLOKOSA-N 0 1 380.286 2.550 20 0 GFADMN COC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C1CCOCC1 ZINC000682133389 566144927 /nfs/dbraw/zinc/14/49/27/566144927.db2.gz JEHXUOJCUUJMOH-MRXNPFEDSA-N 0 1 395.301 2.561 20 0 GFADMN CO[C@H](CS(=O)(=O)Nc1cc(-c2cccc(Cl)c2)n[nH]1)[C@@H]1CCOC1 ZINC000656625111 566149536 /nfs/dbraw/zinc/14/95/36/566149536.db2.gz ZOSKWKLVGVTCCH-IUODEOHRSA-N 0 1 385.873 2.523 20 0 GFADMN CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F)cc2C1 ZINC000656730368 566159377 /nfs/dbraw/zinc/15/93/77/566159377.db2.gz HPQOXXGVKPUOPA-ZDUSSCGKSA-N 0 1 384.445 2.518 20 0 GFADMN C[C@@H](NC(=O)C1(N(C)C)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000612401296 566160061 /nfs/dbraw/zinc/16/00/61/566160061.db2.gz SUHNRBSUSJRLIJ-SNVBAGLBSA-N 0 1 379.258 2.771 20 0 GFADMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000634602740 566160419 /nfs/dbraw/zinc/16/04/19/566160419.db2.gz BAIMMEMSPLUCOY-BXUZGUMPSA-N 0 1 385.283 2.531 20 0 GFADMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000656758288 566165347 /nfs/dbraw/zinc/16/53/47/566165347.db2.gz ZNNRSGTZFUJBAX-WOPDTQHZSA-N 0 1 381.778 2.665 20 0 GFADMN Cn1ncc(Br)c1CNC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000634726289 566173727 /nfs/dbraw/zinc/17/37/27/566173727.db2.gz PNTUCDKKTZBBGE-NSHDSACASA-N 0 1 392.219 2.895 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)C[C@@H]1C ZINC000613146932 566186449 /nfs/dbraw/zinc/18/64/49/566186449.db2.gz AHHFXDJKQVMCAS-UWVGGRQHSA-N 0 1 381.274 2.586 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000635020782 566189328 /nfs/dbraw/zinc/18/93/28/566189328.db2.gz SCARIBMCDOIIHB-MGPLVRAMSA-N 0 1 375.252 2.744 20 0 GFADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2cscc2Cl)N(C)C)c1 ZINC000635027699 566189780 /nfs/dbraw/zinc/18/97/80/566189780.db2.gz XRUPJPCIKPVWSL-OAHLLOKOSA-N 0 1 381.885 2.768 20 0 GFADMN C[C@H](CC(F)(F)F)CS(=O)(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000656966387 566196216 /nfs/dbraw/zinc/19/62/16/566196216.db2.gz SDWCTJRNZLFARR-LLVKDONJSA-N 0 1 376.404 2.522 20 0 GFADMN COc1cc(Br)ccc1CCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613450460 566197846 /nfs/dbraw/zinc/19/78/46/566197846.db2.gz CXFAZLMMPGLYMO-CYBMUJFWSA-N 0 1 393.285 2.745 20 0 GFADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613497737 566200001 /nfs/dbraw/zinc/20/00/01/566200001.db2.gz HUPYHCWRIGGNAK-UHFFFAOYSA-N 0 1 377.202 2.669 20 0 GFADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000613497737 566200006 /nfs/dbraw/zinc/20/00/06/566200006.db2.gz HUPYHCWRIGGNAK-UHFFFAOYSA-N 0 1 377.202 2.669 20 0 GFADMN CC1(C)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCCO1 ZINC000683482558 566202766 /nfs/dbraw/zinc/20/27/66/566202766.db2.gz LBWBNURAMAARGR-UHFFFAOYSA-N 0 1 379.254 2.932 20 0 GFADMN O=S(=O)(c1ccccc1O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000657009494 566205132 /nfs/dbraw/zinc/20/51/32/566205132.db2.gz IKQCAUCOIOEYFN-AWEZNQCLSA-N 0 1 379.400 2.762 20 0 GFADMN C[C@@H](NCc1c(Br)cnn1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000683763892 566213120 /nfs/dbraw/zinc/21/31/20/566213120.db2.gz HZYAMFDUKRPJDF-RDTXWAMCSA-N 0 1 393.329 2.734 20 0 GFADMN CC[C@@H](CNC(=O)CCCc1nn[nH]n1)Cc1cccc(Br)c1 ZINC000635581465 566219856 /nfs/dbraw/zinc/21/98/56/566219856.db2.gz BFPQFCUTDPFXMS-GFCCVEGCSA-N 0 1 380.290 2.670 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000635666289 566222040 /nfs/dbraw/zinc/22/20/40/566222040.db2.gz ZJBBCGWOSFYPNF-GFCCVEGCSA-N 0 1 384.267 2.899 20 0 GFADMN COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)C(F)F ZINC000684599021 566240215 /nfs/dbraw/zinc/24/02/15/566240215.db2.gz DLNNIFLSJLAOLY-UHFFFAOYSA-N 0 1 376.194 2.919 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000275695675 570698485 /nfs/dbraw/zinc/69/84/85/570698485.db2.gz NANBIMLOSDVSDU-UHFFFAOYSA-N 0 1 387.249 2.599 20 0 GFADMN C[C@]1(c2ccccc2)CCCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736229568 598833319 /nfs/dbraw/zinc/83/33/19/598833319.db2.gz NJYVHJIMGFVQBU-NRFANRHFSA-N 0 1 376.464 2.859 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736129721 598879515 /nfs/dbraw/zinc/87/95/15/598879515.db2.gz FJORCOLSVHOQOO-YVEFUNNKSA-N 0 1 382.855 2.976 20 0 GFADMN CC1CCC(=CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000736236724 598932734 /nfs/dbraw/zinc/93/27/34/598932734.db2.gz MBVSRWVMVVPUEA-UHFFFAOYSA-N 0 1 397.483 2.517 20 0 GFADMN CC(C)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)[NH+]1CCC(C)CC1 ZINC000736276335 598958074 /nfs/dbraw/zinc/95/80/74/598958074.db2.gz OIWXDNIZQVKFRO-KRWDZBQOSA-N 0 1 380.500 2.978 20 0 GFADMN CC(C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCC(C)CC1 ZINC000736276335 598958075 /nfs/dbraw/zinc/95/80/75/598958075.db2.gz OIWXDNIZQVKFRO-KRWDZBQOSA-N 0 1 380.500 2.978 20 0 GFADMN CCOc1cccc([C@@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654580 598960829 /nfs/dbraw/zinc/96/08/29/598960829.db2.gz KOKZEVDEHWDLMR-KUHUBIRLSA-N 0 1 392.463 2.722 20 0 GFADMN c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000738411122 599010895 /nfs/dbraw/zinc/01/08/95/599010895.db2.gz QYUBLFQHDHDHKU-UHFFFAOYSA-N 0 1 388.435 2.965 20 0 GFADMN c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000738411122 599010897 /nfs/dbraw/zinc/01/08/97/599010897.db2.gz QYUBLFQHDHDHKU-UHFFFAOYSA-N 0 1 388.435 2.965 20 0 GFADMN O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1ccccc1-c1nn[nH]n1 ZINC000738344189 599099131 /nfs/dbraw/zinc/09/91/31/599099131.db2.gz BLDGLPNLDGVWTK-UHFFFAOYSA-N 0 1 383.355 2.772 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCC[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000737186101 599108778 /nfs/dbraw/zinc/10/87/78/599108778.db2.gz GYXHZFKPHCWHLB-QWRGUYRKSA-N 0 1 376.486 2.635 20 0 GFADMN C[C@@H](c1nn(CN(C)CC(=O)[O-])c(=S)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000739066042 597054637 /nfs/dbraw/zinc/05/46/37/597054637.db2.gz WDWZBTBODVHOTR-NSHDSACASA-N 0 1 383.905 2.653 20 0 GFADMN Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263560898 597342534 /nfs/dbraw/zinc/34/25/34/597342534.db2.gz BSKFBWKUICJCDH-UHFFFAOYSA-N 0 1 381.476 2.758 20 0 GFADMN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CCN1c1nc2ccccc2o1 ZINC000736288783 598364696 /nfs/dbraw/zinc/36/46/96/598364696.db2.gz UHRLUTXBSOIFQL-CQSZACIVSA-N 0 1 375.436 2.719 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC2CC(C)(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737185726 598372096 /nfs/dbraw/zinc/37/20/96/598372096.db2.gz CANJXAYHAMBRQP-UHFFFAOYSA-N 0 1 396.476 2.539 20 0 GFADMN C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736859777 598408976 /nfs/dbraw/zinc/40/89/76/598408976.db2.gz JJBSNBIIEBECIK-AWEZNQCLSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736859777 598408978 /nfs/dbraw/zinc/40/89/78/598408978.db2.gz JJBSNBIIEBECIK-AWEZNQCLSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736859777 598408980 /nfs/dbraw/zinc/40/89/80/598408980.db2.gz JJBSNBIIEBECIK-AWEZNQCLSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736859777 598408982 /nfs/dbraw/zinc/40/89/82/598408982.db2.gz JJBSNBIIEBECIK-AWEZNQCLSA-N 0 1 396.426 2.622 20 0 GFADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073479 598453837 /nfs/dbraw/zinc/45/38/37/598453837.db2.gz RSJCHJLLUNGZTA-RYUDHWBXSA-N 0 1 384.415 2.692 20 0 GFADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000736291554 598460726 /nfs/dbraw/zinc/46/07/26/598460726.db2.gz FPHNCZNNGFYXQO-DNVCBOLYSA-N 0 1 392.463 2.657 20 0 GFADMN CC(C)C[C@@H](C)CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735762246 598495917 /nfs/dbraw/zinc/49/59/17/598495917.db2.gz VMLMXZQKIAFTQT-QGZVFWFLSA-N 0 1 384.528 2.973 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025459 598574655 /nfs/dbraw/zinc/57/46/55/598574655.db2.gz GXPLLGMIYFTUCT-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025459 598574656 /nfs/dbraw/zinc/57/46/56/598574656.db2.gz GXPLLGMIYFTUCT-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736750163 598684150 /nfs/dbraw/zinc/68/41/50/598684150.db2.gz UNSWCWZAGWTSNG-HNNXBMFYSA-N 0 1 390.463 2.837 20 0 GFADMN CC(C)(C(=O)NOCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000735580820 598698336 /nfs/dbraw/zinc/69/83/36/598698336.db2.gz MQFFQINZMQQZJI-UHFFFAOYSA-N 0 1 381.436 2.661 20 0 GFADMN CCCCc1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000736465238 598720547 /nfs/dbraw/zinc/72/05/47/598720547.db2.gz DLJHSHMSSNTFDF-UHFFFAOYSA-N 0 1 385.815 2.609 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCCCC3)C2)cc1-c1nn[nH]n1 ZINC000737188095 598722582 /nfs/dbraw/zinc/72/25/82/598722582.db2.gz YMMFAIACHKORAU-UHFFFAOYSA-N 0 1 388.497 2.876 20 0 GFADMN Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000819688587 599426349 /nfs/dbraw/zinc/42/63/49/599426349.db2.gz KADMRCQHZOXWQG-GFCCVEGCSA-N 0 1 389.257 2.591 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC(C3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000821969807 599492902 /nfs/dbraw/zinc/49/29/02/599492902.db2.gz FGRZHNLIUHJLCL-UHFFFAOYSA-N 0 1 388.497 2.732 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737439487 599711754 /nfs/dbraw/zinc/71/17/54/599711754.db2.gz RPOYPNMKAPJJSL-GOSISDBHSA-N 0 1 395.452 2.756 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736789797 599722436 /nfs/dbraw/zinc/72/24/36/599722436.db2.gz REXHOZFADBMMHL-CYBMUJFWSA-N 0 1 394.447 2.625 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000736755492 599726840 /nfs/dbraw/zinc/72/68/40/599726840.db2.gz NGLGTEVQDUMKDN-BETUJISGSA-N 0 1 388.917 2.685 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)[NH+](C)C)cc1 ZINC000184944913 599729367 /nfs/dbraw/zinc/72/93/67/599729367.db2.gz FHCDEWUWTPEUKE-INIZCTEOSA-N 0 1 396.896 2.928 20 0 GFADMN CN(C(=O)[O-])c1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000737515211 599756131 /nfs/dbraw/zinc/75/61/31/599756131.db2.gz IOGQIYBVDZDLPK-IBGZPJMESA-N 0 1 382.464 2.728 20 0 GFADMN C[N@@H+](CCn1nc2ccccn2c1=O)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737454360 599771713 /nfs/dbraw/zinc/77/17/13/599771713.db2.gz NBXRDHWBXFFKNT-HNNXBMFYSA-N 0 1 395.246 2.561 20 0 GFADMN O=C([O-])c1cccc(OCC[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739473469 599786818 /nfs/dbraw/zinc/78/68/18/599786818.db2.gz ZAMNXXKQIOYXER-QGZVFWFLSA-N 0 1 387.411 2.799 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000737413254 599793366 /nfs/dbraw/zinc/79/33/66/599793366.db2.gz JURUUWKAZCLEGP-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000737413254 599793367 /nfs/dbraw/zinc/79/33/67/599793367.db2.gz JURUUWKAZCLEGP-CQSZACIVSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000737413540 599793431 /nfs/dbraw/zinc/79/34/31/599793431.db2.gz PVJMZMLANYDIST-AWEZNQCLSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000737413540 599793432 /nfs/dbraw/zinc/79/34/32/599793432.db2.gz PVJMZMLANYDIST-AWEZNQCLSA-N 0 1 391.468 2.512 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)cs1 ZINC000262424811 599835583 /nfs/dbraw/zinc/83/55/83/599835583.db2.gz QWXCAPXQDMNMIS-SZMVWBNQSA-N 0 1 391.537 2.908 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000736216621 599893739 /nfs/dbraw/zinc/89/37/39/599893739.db2.gz XXFMIEQVXGZKOU-JXFKEZNVSA-N 0 1 382.460 2.853 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000736216621 599893740 /nfs/dbraw/zinc/89/37/40/599893740.db2.gz XXFMIEQVXGZKOU-JXFKEZNVSA-N 0 1 382.460 2.853 20 0 GFADMN CCOc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OCC(=O)[O-] ZINC000737182958 599933411 /nfs/dbraw/zinc/93/34/11/599933411.db2.gz PNMAFBFIGLGGHO-UHFFFAOYSA-N 0 1 392.496 2.741 20 0 GFADMN Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+]2CCCC2)o1 ZINC000738569418 599937559 /nfs/dbraw/zinc/93/75/59/599937559.db2.gz FEJOVQOLYBGZIF-MRXNPFEDSA-N 0 1 392.477 2.710 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1CC1)C(=O)[O-] ZINC000736579645 599951092 /nfs/dbraw/zinc/95/10/92/599951092.db2.gz VFKPFALBONDLKU-XJKSGUPXSA-N 0 1 385.420 2.735 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C1CC1)C(=O)[O-] ZINC000736579642 599951234 /nfs/dbraw/zinc/95/12/34/599951234.db2.gz VFKPFALBONDLKU-BBRMVZONSA-N 0 1 385.420 2.735 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1)CCCC2 ZINC000739284814 599971748 /nfs/dbraw/zinc/97/17/48/599971748.db2.gz UTKOIMLLJPHSNA-CYBMUJFWSA-N 0 1 388.493 2.625 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1)CCCC2 ZINC000739284814 599971751 /nfs/dbraw/zinc/97/17/51/599971751.db2.gz UTKOIMLLJPHSNA-CYBMUJFWSA-N 0 1 388.493 2.625 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3cc(C(=O)[O-])ccc3F)C2)nc(C)[nH+]1 ZINC000738409400 599980758 /nfs/dbraw/zinc/98/07/58/599980758.db2.gz VYPQOSCNVPHYAR-CQSZACIVSA-N 0 1 387.415 2.721 20 0 GFADMN CCC(CC)[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[NH+]1CCOCC1 ZINC000736895319 600014960 /nfs/dbraw/zinc/01/49/60/600014960.db2.gz OPSDVSIRLREZIK-LJQANCHMSA-N 0 1 389.496 2.547 20 0 GFADMN O=C([O-])Cc1csc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000738634758 600016301 /nfs/dbraw/zinc/01/63/01/600016301.db2.gz YNSQCYCDVKNEKN-OAHLLOKOSA-N 0 1 380.514 2.936 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)cs1 ZINC000738349696 600062975 /nfs/dbraw/zinc/06/29/75/600062975.db2.gz RFGGVPXKEDREPQ-UHFFFAOYSA-N 0 1 389.477 2.766 20 0 GFADMN Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])c1 ZINC000738705035 600070645 /nfs/dbraw/zinc/07/06/45/600070645.db2.gz ZMORGQFESANBJI-RTWAWAEBSA-N 0 1 395.503 2.662 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000738518376 600094834 /nfs/dbraw/zinc/09/48/34/600094834.db2.gz KGXZOMMAYWCMJU-CVEARBPZSA-N 0 1 382.464 2.849 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1ccc(Br)cn1)(C(=O)[O-])c1ccccc1 ZINC000736918245 600128885 /nfs/dbraw/zinc/12/88/85/600128885.db2.gz RJJCAMVDZPZMRY-QGZVFWFLSA-N 0 1 392.253 2.762 20 0 GFADMN CC[C@@]([NH2+]CC(=O)NC(=O)Nc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000736915873 600129767 /nfs/dbraw/zinc/12/97/67/600129767.db2.gz FVKIOLXVFOXRRC-NRFANRHFSA-N 0 1 383.448 2.931 20 0 GFADMN O=C([O-])c1cccc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000740225319 600163237 /nfs/dbraw/zinc/16/32/37/600163237.db2.gz HULSKXORECOOGT-KRWDZBQOSA-N 0 1 392.477 2.624 20 0 GFADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736808839 600175153 /nfs/dbraw/zinc/17/51/53/600175153.db2.gz JSVLLSNLBFPJLB-CPUCHLNUSA-N 0 1 376.457 2.882 20 0 GFADMN C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737412045 600214987 /nfs/dbraw/zinc/21/49/87/600214987.db2.gz IQFXNRMJKXJHQS-NRFANRHFSA-N 0 1 395.459 2.900 20 0 GFADMN O=C([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000740224831 600233477 /nfs/dbraw/zinc/23/34/77/600233477.db2.gz CCDPWWYCRIMREU-IBGZPJMESA-N 0 1 394.537 2.849 20 0 GFADMN C[C@H](c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000659754737 600251418 /nfs/dbraw/zinc/25/14/18/600251418.db2.gz AEIKNHCEPAFONQ-OAHLLOKOSA-N 0 1 384.432 2.796 20 0 GFADMN CC(C)c1ccc(C[NH+]2CCN(Cc3noc(CCCC(=O)[O-])n3)CC2)cc1 ZINC000736513855 600285051 /nfs/dbraw/zinc/28/50/51/600285051.db2.gz KIURKYKYIUAFSJ-UHFFFAOYSA-N 0 1 386.496 2.918 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc3[nH]c(C(F)(F)F)nc3c1)CC2 ZINC000739277910 600288360 /nfs/dbraw/zinc/28/83/60/600288360.db2.gz KRAVZKUCTJJYDZ-LLVKDONJSA-N 0 1 396.369 2.707 20 0 GFADMN Cc1cc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)n(-c2ccc(C)cc2)n1 ZINC000738499091 600292983 /nfs/dbraw/zinc/29/29/83/600292983.db2.gz CBZUITYEBRQCLR-KRWDZBQOSA-N 0 1 382.464 2.614 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000517942588 600310998 /nfs/dbraw/zinc/31/09/98/600310998.db2.gz ALYJFBNHHFYYNX-SJLPKXTDSA-N 0 1 394.537 2.589 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC[N@H+]1CCOC ZINC000736937904 600339284 /nfs/dbraw/zinc/33/92/84/600339284.db2.gz HWTNXAFOAGUGAS-KRWDZBQOSA-N 0 1 395.525 2.579 20 0 GFADMN CC[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000736904300 600344545 /nfs/dbraw/zinc/34/45/45/600344545.db2.gz ITUCOSANWLGAIJ-RBUKOAKNSA-N 0 1 385.508 2.720 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000737514037 600390227 /nfs/dbraw/zinc/39/02/27/600390227.db2.gz CRADYBKYKCFDTC-OJLVUWQFSA-N 0 1 384.398 2.925 20 0 GFADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)nc2c1 ZINC000740190212 600393557 /nfs/dbraw/zinc/39/35/57/600393557.db2.gz MMZMELTWXSIRNU-LJQANCHMSA-N 0 1 393.443 2.906 20 0 GFADMN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)nc2c1 ZINC000740190212 600393560 /nfs/dbraw/zinc/39/35/60/600393560.db2.gz MMZMELTWXSIRNU-LJQANCHMSA-N 0 1 393.443 2.906 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000740149889 600404324 /nfs/dbraw/zinc/40/43/24/600404324.db2.gz GPOPJBUWKUHUDU-UHFFFAOYSA-N 0 1 377.441 2.978 20 0 GFADMN 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C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(Br)c1Cl ZINC000833626137 605635096 /nfs/dbraw/zinc/63/50/96/605635096.db2.gz OERYZFLSEFHZQI-JTQLQIEISA-N 0 1 389.677 2.724 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000834026941 605686162 /nfs/dbraw/zinc/68/61/62/605686162.db2.gz NZQNHENFUROVEQ-MAUKXSAKSA-N 0 1 385.464 2.903 20 0 GFADMN Cc1ccccc1Cc1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)n1 ZINC000822361925 606204616 /nfs/dbraw/zinc/20/46/16/606204616.db2.gz KNELKWXSBBLDQD-UHFFFAOYSA-N 0 1 399.414 2.512 20 0 GFADMN CCC[C@@H](C)OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000821015656 606224644 /nfs/dbraw/zinc/22/46/44/606224644.db2.gz RUXCKYZUZYUKJD-SSDOTTSWSA-N 0 1 391.375 2.810 20 0 GFADMN CCOc1cccc([C@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)c1 ZINC000821427543 606302725 /nfs/dbraw/zinc/30/27/25/606302725.db2.gz UUKMOWXIRMVOGE-BLLLJJGKSA-N 0 1 398.492 2.783 20 0 GFADMN C[C@@]1(CCc2ccccc2)CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820612229 606337774 /nfs/dbraw/zinc/33/77/74/606337774.db2.gz CECCPZTUBMYLJP-DENIHFKCSA-N 0 1 390.491 2.738 20 0 GFADMN Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822226082 606416925 /nfs/dbraw/zinc/41/69/25/606416925.db2.gz BYUHNUMHMSOOMZ-UHFFFAOYSA-N 0 1 382.493 2.631 20 0 GFADMN Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822226082 606416928 /nfs/dbraw/zinc/41/69/28/606416928.db2.gz BYUHNUMHMSOOMZ-UHFFFAOYSA-N 0 1 382.493 2.631 20 0 GFADMN Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000822792534 606419236 /nfs/dbraw/zinc/41/92/36/606419236.db2.gz ZXKZUPMTDDMOLW-LBPRGKRZSA-N 0 1 390.463 2.961 20 0 GFADMN Fc1cccc(F)c1CN1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000822792534 606419238 /nfs/dbraw/zinc/41/92/38/606419238.db2.gz ZXKZUPMTDDMOLW-LBPRGKRZSA-N 0 1 390.463 2.961 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000822223587 606468888 /nfs/dbraw/zinc/46/88/88/606468888.db2.gz CETDEBYELIUSRQ-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823175897 606499940 /nfs/dbraw/zinc/49/99/40/606499940.db2.gz ODANQXIPQYBSOD-INIZCTEOSA-N 0 1 382.493 2.713 20 0 GFADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000823103860 606559116 /nfs/dbraw/zinc/55/91/16/606559116.db2.gz MVDGTHWKTOQRKQ-UHFFFAOYSA-N 0 1 396.414 2.986 20 0 GFADMN CC(C)[C@@H](NCc1cnc2ccc(-c3nn[nH]n3)cn12)c1nc2ccccc2[nH]1 ZINC000820025692 606639119 /nfs/dbraw/zinc/63/91/19/606639119.db2.gz CBGYNJIHUQEFEP-GOSISDBHSA-N 0 1 387.451 2.878 20 0 GFADMN COc1cc(CN2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cc3F)C2)cc(OC)c1 ZINC000821717766 606728318 /nfs/dbraw/zinc/72/83/18/606728318.db2.gz XTLCBRXHCVAYBU-OAHLLOKOSA-N 0 1 398.442 2.709 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(C)(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821969655 606768821 /nfs/dbraw/zinc/76/88/21/606768821.db2.gz CPBVJDWQXPUOJT-LLVKDONJSA-N 0 1 398.492 2.785 20 0 GFADMN c1ccc2sc(C3CN(CCOc4cccc(-c5nn[nH]n5)c4)C3)nc2c1 ZINC000823762401 606847459 /nfs/dbraw/zinc/84/74/59/606847459.db2.gz OCHJOZYNILYOFJ-UHFFFAOYSA-N 0 1 378.461 2.955 20 0 GFADMN O[C@@H](CNCc1cc(F)ccc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823682367 606856572 /nfs/dbraw/zinc/85/65/72/606856572.db2.gz PGCZHRLYTTZCTM-HNNXBMFYSA-N 0 1 392.232 2.592 20 0 GFADMN Fc1ccc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822779575 606885747 /nfs/dbraw/zinc/88/57/47/606885747.db2.gz XLVMXMATKINWCG-UHFFFAOYSA-N 0 1 382.443 2.597 20 0 GFADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C1CCCCC1 ZINC000823155873 606967720 /nfs/dbraw/zinc/96/77/20/606967720.db2.gz ZFHSDOVTILJDRN-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN CCC1(CC)[C@H](N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C[C@@H]1OC ZINC000820958746 607106512 /nfs/dbraw/zinc/10/65/12/607106512.db2.gz YMOHLCYZDIEVDM-CVEARBPZSA-N 0 1 397.483 2.942 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000819877088 607177214 /nfs/dbraw/zinc/17/72/14/607177214.db2.gz OHJUSZQCLGZUQB-HNAYVOBHSA-N 0 1 391.479 2.770 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000819875669 607177439 /nfs/dbraw/zinc/17/74/39/607177439.db2.gz BFQHDLGJIAUNQD-WBVHZDCISA-N 0 1 391.479 2.770 20 0 GFADMN C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413723 607208649 /nfs/dbraw/zinc/20/86/49/607208649.db2.gz UVOHUDKAJCKZEW-HNAYVOBHSA-N 0 1 376.464 2.881 20 0 GFADMN C[C@H]1CN(CCCNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@H](C)O1 ZINC000820761051 607227051 /nfs/dbraw/zinc/22/70/51/607227051.db2.gz VVFUPIFROCIHSU-RYUDHWBXSA-N 0 1 384.406 2.797 20 0 GFADMN CCC[C@@H](C)[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234223 607829603 /nfs/dbraw/zinc/82/96/03/607829603.db2.gz XOEFVTLOBBKKGB-RHSMWYFYSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@@H]1CN(C(C)(C)CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@H](C)O1 ZINC000824978749 607839276 /nfs/dbraw/zinc/83/92/76/607839276.db2.gz WYVYOIJGTRHQAC-OKILXGFUSA-N 0 1 381.484 2.715 20 0 GFADMN Cc1cnc(CCN(C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)s1 ZINC000826318404 607858356 /nfs/dbraw/zinc/85/83/56/607858356.db2.gz IDVJJPKDBVPNRO-UHFFFAOYSA-N 0 1 380.424 2.908 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000825139324 607911299 /nfs/dbraw/zinc/91/12/99/607911299.db2.gz DTZRAWUTAYRFLV-SJLPKXTDSA-N 0 1 378.440 2.517 20 0 GFADMN CC(C)(C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1CCCC1 ZINC000824059237 607932352 /nfs/dbraw/zinc/93/23/52/607932352.db2.gz PXQNXKDUNSWFFB-UHFFFAOYSA-N 0 1 399.499 2.597 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761836 608033964 /nfs/dbraw/zinc/03/39/64/608033964.db2.gz CVUAUHDRGZPTOG-JTQLQIEISA-N 0 1 394.405 2.816 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761836 608033965 /nfs/dbraw/zinc/03/39/65/608033965.db2.gz CVUAUHDRGZPTOG-JTQLQIEISA-N 0 1 394.405 2.816 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761836 608033966 /nfs/dbraw/zinc/03/39/66/608033966.db2.gz CVUAUHDRGZPTOG-JTQLQIEISA-N 0 1 394.405 2.816 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761836 608033967 /nfs/dbraw/zinc/03/39/67/608033967.db2.gz CVUAUHDRGZPTOG-JTQLQIEISA-N 0 1 394.405 2.816 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)n[nH]1 ZINC000824358614 608100044 /nfs/dbraw/zinc/10/00/44/608100044.db2.gz NTKMGQSOXUDRDS-SNVBAGLBSA-N 0 1 386.464 2.547 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CCN1C ZINC000824858035 608202062 /nfs/dbraw/zinc/20/20/62/608202062.db2.gz HBTLDLMURYTZNO-GJZGRUSLSA-N 0 1 391.479 2.775 20 0 GFADMN O=C(c1cc(-c2nn[nH]n2)cs1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826470326 608206104 /nfs/dbraw/zinc/20/61/04/608206104.db2.gz MHONGDAZDKINEL-CYBMUJFWSA-N 0 1 392.448 2.691 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C(C)C)C2CCOCC2)c1-c1nn[nH]n1 ZINC000826332593 608317294 /nfs/dbraw/zinc/31/72/94/608317294.db2.gz YSMNDXVHUMVZID-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C(C)C)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332593 608317295 /nfs/dbraw/zinc/31/72/95/608317295.db2.gz YSMNDXVHUMVZID-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C(C)C)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332593 608317296 /nfs/dbraw/zinc/31/72/96/608317296.db2.gz YSMNDXVHUMVZID-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](C(C)C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332593 608317297 /nfs/dbraw/zinc/31/72/97/608317297.db2.gz YSMNDXVHUMVZID-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](C(C)C)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332593 608317298 /nfs/dbraw/zinc/31/72/98/608317298.db2.gz YSMNDXVHUMVZID-UHFFFAOYSA-N 0 1 381.484 2.750 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000825958381 608380560 /nfs/dbraw/zinc/38/05/60/608380560.db2.gz UEOURJNOBPYQLG-INIZCTEOSA-N 0 1 388.269 2.795 20 0 GFADMN CC(C)N(C(=O)[C@H](C)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000824035016 608463136 /nfs/dbraw/zinc/46/31/36/608463136.db2.gz RPMHJPJQZBWQHK-INIZCTEOSA-N 0 1 382.512 2.990 20 0 GFADMN C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562055 608485621 /nfs/dbraw/zinc/48/56/21/608485621.db2.gz CEWLCYDRDNWRNR-NSHDSACASA-N 0 1 388.378 2.757 20 0 GFADMN c1cncc(-c2cccc(CN3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2)c1 ZINC000826525749 608509864 /nfs/dbraw/zinc/50/98/64/608509864.db2.gz XNHGYZDBOSLYQT-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN c1csc(-c2n[nH]cc2CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826526265 608516138 /nfs/dbraw/zinc/51/61/38/608516138.db2.gz RHOODAPITMUULF-UHFFFAOYSA-N 0 1 392.492 2.641 20 0 GFADMN CC(C)[C@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824193479 608532076 /nfs/dbraw/zinc/53/20/76/608532076.db2.gz YUBCSJYCPAWFHS-FQEVSTJZSA-N 0 1 390.491 2.959 20 0 GFADMN COc1ccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c(OC)c1 ZINC000826194715 608603217 /nfs/dbraw/zinc/60/32/17/608603217.db2.gz UEZOSXHNBMDWHK-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN 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CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(OC)ccc1Br ZINC000175281241 655217771 /nfs/dbraw/zinc/21/77/71/655217771.db2.gz SLGVHEWWQFFNRC-LBPRGKRZSA-N 0 1 391.331 2.610 20 0 GFADMN CC(C)(C)OC(=O)CS(=O)(=O)CCNC(C)(C)c1cccc(Cl)c1 ZINC000839544624 661090770 /nfs/dbraw/zinc/09/07/70/661090770.db2.gz NTOYXINNVJSHJN-UHFFFAOYSA-N 0 1 375.918 2.921 20 0 GFADMN O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175837270 655227923 /nfs/dbraw/zinc/22/79/23/655227923.db2.gz ZQUQGLMWTCCDRT-MSOLQXFVSA-N 0 1 393.325 2.876 20 0 GFADMN CS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccsc3)CC2)cc1 ZINC000115116131 655232663 /nfs/dbraw/zinc/23/26/63/655232663.db2.gz LVLOAMIZIJXTHS-UHFFFAOYSA-N 0 1 378.519 2.546 20 0 GFADMN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000115313177 655234639 /nfs/dbraw/zinc/23/46/39/655234639.db2.gz SJHKMCQTHFQNMJ-QHCPKHFHSA-N 0 1 375.418 2.967 20 0 GFADMN CS[C@@H]1CN(C(=O)c2nc(Br)cs2)C[C@@H]1N1CCCC1 ZINC000275706933 655247858 /nfs/dbraw/zinc/24/78/58/655247858.db2.gz QPSHCOSUVNHUNV-VHSXEESVSA-N 0 1 376.345 2.557 20 0 GFADMN CCC[C@@H](NC(=O)c1cc2sc(N(CC)CC)nc2s1)c1nn[nH]n1 ZINC000176762058 655255473 /nfs/dbraw/zinc/25/54/73/655255473.db2.gz BQBQHZQENCIHBR-SECBINFHSA-N 0 1 379.515 2.988 20 0 GFADMN Cc1ccc(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)cc1Br ZINC000176836569 655257352 /nfs/dbraw/zinc/25/73/52/655257352.db2.gz ZWDTUZBZCXZFFA-UHFFFAOYSA-N 0 1 389.253 2.640 20 0 GFADMN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCCc2cn[nH]c21 ZINC000275996432 655258239 /nfs/dbraw/zinc/25/82/39/655258239.db2.gz LYDRVVPYNVSKQS-CYBMUJFWSA-N 0 1 392.253 2.680 20 0 GFADMN COC(=O)NCCc1ccc(S(=O)(=O)Nc2cnc(Cl)cc2C)s1 ZINC000276224426 655268123 /nfs/dbraw/zinc/26/81/23/655268123.db2.gz MNTKEUUHZVKENH-UHFFFAOYSA-N 0 1 389.886 2.804 20 0 GFADMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000177100660 655268602 /nfs/dbraw/zinc/26/86/02/655268602.db2.gz ANXLWMNWXALVQB-LBPRGKRZSA-N 0 1 377.819 2.862 20 0 GFADMN Brc1cc2c(cc1CN1CCC[C@H](Cn3ccnn3)C1)OCO2 ZINC000118992428 655286042 /nfs/dbraw/zinc/28/60/42/655286042.db2.gz YXXMPHBACFNDAB-LBPRGKRZSA-N 0 1 379.258 2.682 20 0 GFADMN C[C@H]1OCCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@H]1C ZINC000119010761 655286649 /nfs/dbraw/zinc/28/66/49/655286649.db2.gz CYCQUQLGLKQIAZ-WDEREUQCSA-N 0 1 394.273 2.553 20 0 GFADMN C[C@H]1OCCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]1C ZINC000119010761 655286650 /nfs/dbraw/zinc/28/66/50/655286650.db2.gz CYCQUQLGLKQIAZ-WDEREUQCSA-N 0 1 394.273 2.553 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)NCCOc2ccc(Br)cc2)n[nH]1 ZINC000119087735 655289682 /nfs/dbraw/zinc/28/96/82/655289682.db2.gz KKXLJLISKWSQHW-LLVKDONJSA-N 0 1 381.274 2.790 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)NCCOc2ccc(Br)cc2)n[nH]1 ZINC000119087891 655289703 /nfs/dbraw/zinc/28/97/03/655289703.db2.gz KKXLJLISKWSQHW-NSHDSACASA-N 0 1 381.274 2.790 20 0 GFADMN COC1CCN(CCNC(=O)CSc2cccc(Br)c2)CC1 ZINC000119357419 655300463 /nfs/dbraw/zinc/30/04/63/655300463.db2.gz VSCAKYAJGKYOFG-UHFFFAOYSA-N 0 1 387.343 2.768 20 0 GFADMN O=C(NCCN1CCCOCC1)Nc1cc2ccccc2nc1Br ZINC000277067155 655301351 /nfs/dbraw/zinc/30/13/51/655301351.db2.gz KNJZZAPOUFPNLF-UHFFFAOYSA-N 0 1 393.285 2.841 20 0 GFADMN Cc1cc(C[C@@H](C)N2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)n[nH]1 ZINC000277198769 655307463 /nfs/dbraw/zinc/30/74/63/655307463.db2.gz DOAYAFGDIJIVDF-QMTHXVAHSA-N 0 1 377.242 2.705 20 0 GFADMN CCS(=O)(=O)C[C@@H](C)N(C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179675256 655315889 /nfs/dbraw/zinc/31/58/89/655315889.db2.gz MQVLMXYKLRMEPQ-OAHLLOKOSA-N 0 1 376.563 2.779 20 0 GFADMN COc1ccc(Br)c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119907428 655320643 /nfs/dbraw/zinc/32/06/43/655320643.db2.gz SZTJFNWARSMJRY-UHFFFAOYSA-N 0 1 376.214 2.834 20 0 GFADMN CCN(CC(=O)NCc1noc(-c2cccc(Br)c2)n1)C1CC1 ZINC000279161717 655327232 /nfs/dbraw/zinc/32/72/32/655327232.db2.gz BNDMECVASGOLEX-UHFFFAOYSA-N 0 1 379.258 2.600 20 0 GFADMN COc1ccc(Br)cc1[S@@](=O)CCCNC(=O)C(F)(F)F ZINC000180518281 655327634 /nfs/dbraw/zinc/32/76/34/655327634.db2.gz DAFPIGHTIXTGRI-NRFANRHFSA-N 0 1 388.205 2.634 20 0 GFADMN CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280765129 655330854 /nfs/dbraw/zinc/33/08/54/655330854.db2.gz FSXUFZAOBRBDDU-SMDDNHRTSA-N 0 1 389.949 2.592 20 0 GFADMN C[C@H](O)c1ncc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)s1 ZINC000289274465 655345244 /nfs/dbraw/zinc/34/52/44/655345244.db2.gz NVVIGUBSTJTESX-JQWIXIFHSA-N 0 1 376.400 2.745 20 0 GFADMN O=C(NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1-n1ccnn1 ZINC000182592761 655345556 /nfs/dbraw/zinc/34/55/56/655345556.db2.gz BWMHTFXTNBZNRL-UHFFFAOYSA-N 0 1 376.203 2.649 20 0 GFADMN CCOC(=O)c1cnc(=NNC(=O)Cc2c(Cl)cccc2Cl)[nH]c1C ZINC000182722492 655346939 /nfs/dbraw/zinc/34/69/39/655346939.db2.gz RZVQUFOHWXHKIZ-UHFFFAOYSA-N 0 1 383.235 2.954 20 0 GFADMN Cc1ncsc1C(=O)NNC(=O)Nc1cc(F)c(Br)cc1F ZINC000183354153 655350813 /nfs/dbraw/zinc/35/08/13/655350813.db2.gz AGDUNIMZNIOPJA-UHFFFAOYSA-N 0 1 391.197 2.959 20 0 GFADMN COC(=O)[C@@H]1CN(Cc2cc(C(N)=O)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC000292866940 655355658 /nfs/dbraw/zinc/35/56/58/655355658.db2.gz VWMOCECFKUUZSA-JKSUJKDBSA-N 0 1 378.881 2.889 20 0 GFADMN O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@]2(CCOC2)C1 ZINC000840027305 661125522 /nfs/dbraw/zinc/12/55/22/661125522.db2.gz YEHOVMBDTRDBJM-WMZOPIPTSA-N 0 1 379.298 2.835 20 0 GFADMN C[C@H](CN(C)C(=O)C1(Cc2ccccc2Br)CC1)c1nn[nH]n1 ZINC000293629077 655360326 /nfs/dbraw/zinc/36/03/26/655360326.db2.gz XSWGZJAIAOBITM-LLVKDONJSA-N 0 1 378.274 2.547 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cnc1Cl ZINC000184898149 655360430 /nfs/dbraw/zinc/36/04/30/655360430.db2.gz IDAUDHKDHKKYRB-UHFFFAOYSA-N 0 1 377.853 2.680 20 0 GFADMN c1csc([C@H](CN[C@H](c2cccs2)c2nnc[nH]2)N2CCOCC2)c1 ZINC000293657570 655361231 /nfs/dbraw/zinc/36/12/31/655361231.db2.gz JBEXDGWXBIWSEL-XJKSGUPXSA-N 0 1 375.523 2.680 20 0 GFADMN Cc1cc(CC(C)(C)C(=O)NC[C@@H]2CN(C)CCN2C)ccc1Br ZINC000293777789 655361921 /nfs/dbraw/zinc/36/19/21/655361921.db2.gz QADTYYNHXXWFNY-MRXNPFEDSA-N 0 1 396.373 2.688 20 0 GFADMN CCO[C@@H]1C[C@@H]1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000185381797 655363963 /nfs/dbraw/zinc/36/39/63/655363963.db2.gz UNXMCHLCXINALU-WCQYABFASA-N 0 1 380.242 2.626 20 0 GFADMN CCO[C@@H]1C[C@@H]1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000185381797 655363965 /nfs/dbraw/zinc/36/39/65/655363965.db2.gz UNXMCHLCXINALU-WCQYABFASA-N 0 1 380.242 2.626 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cnc(N(C)C)s2)cc1 ZINC000298748000 655374154 /nfs/dbraw/zinc/37/41/54/655374154.db2.gz JFMHNXNEUAZWBH-UHFFFAOYSA-N 0 1 382.555 2.529 20 0 GFADMN CC(C)OCCOC[C@H](O)CN(C)Cc1cc(Br)ccc1F ZINC000299457594 655376317 /nfs/dbraw/zinc/37/63/17/655376317.db2.gz YDVPAXYNRXTMKJ-OAHLLOKOSA-N 0 1 378.282 2.823 20 0 GFADMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCN(C[C@@H](C)O)CC1 ZINC000188735444 655381540 /nfs/dbraw/zinc/38/15/40/655381540.db2.gz IDZSBAHYZDJUFO-CYBMUJFWSA-N 0 1 383.323 2.986 20 0 GFADMN O=C(Cc1n[nH]c2c1CCCC2)NNc1ccc([N+](=O)[O-])cc1Br ZINC000189038130 655384108 /nfs/dbraw/zinc/38/41/08/655384108.db2.gz SCSFOOPQPDZZLG-UHFFFAOYSA-N 0 1 394.229 2.645 20 0 GFADMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000325182710 655384533 /nfs/dbraw/zinc/38/45/33/655384533.db2.gz DJFMLEHMCLDWMO-UHFFFAOYSA-N 0 1 375.878 2.567 20 0 GFADMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000327380455 655386192 /nfs/dbraw/zinc/38/61/92/655386192.db2.gz OEKANNVLNOMHMG-ZDUSSCGKSA-N 0 1 387.889 2.806 20 0 GFADMN CCn1c(SCC(=O)N2CCCN(CC)CC2)nnc1-c1cccs1 ZINC000363206972 655391514 /nfs/dbraw/zinc/39/15/14/655391514.db2.gz UOIODHIDNBDKRX-UHFFFAOYSA-N 0 1 379.555 2.673 20 0 GFADMN CN1C(=O)C[C@H](C(=O)NOC[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000365162130 655391932 /nfs/dbraw/zinc/39/19/32/655391932.db2.gz LEPBIRSZBZNVPX-PKWAYOAASA-N 0 1 387.263 2.597 20 0 GFADMN Cc1cnc(NS(=O)(=O)c2cccc3nsnc32)c(Br)c1 ZINC000192834507 655407049 /nfs/dbraw/zinc/40/70/49/655407049.db2.gz PEASDFFDABFMNY-UHFFFAOYSA-N 0 1 385.268 2.958 20 0 GFADMN O=S(=O)(NCCOC(F)(F)F)c1cc(Br)sc1Cl ZINC000474376332 655415312 /nfs/dbraw/zinc/41/53/12/655415312.db2.gz OALZBKGGTBYULW-UHFFFAOYSA-N 0 1 388.614 2.979 20 0 GFADMN C[C@@H](CN1CCC[C@H](CS(N)(=O)=O)C1)c1cccc(Br)c1 ZINC000574183181 655425986 /nfs/dbraw/zinc/42/59/86/655425986.db2.gz RJMCUFJAIFTBIR-STQMWFEESA-N 0 1 375.332 2.553 20 0 GFADMN COc1ncc([C@@H](C)NCCNS(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000574223516 655426633 /nfs/dbraw/zinc/42/66/33/655426633.db2.gz FFTJYVKLSGYFRY-LLVKDONJSA-N 0 1 389.930 2.743 20 0 GFADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(F)c(Br)c2)n[nH]1 ZINC000576094408 655443150 /nfs/dbraw/zinc/44/31/50/655443150.db2.gz CMEFUYHDCJJVDI-QMMMGPOBSA-N 0 1 391.266 2.869 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000576119504 655443781 /nfs/dbraw/zinc/44/37/81/655443781.db2.gz JCBQBGPEHJKFPF-OLZOCXBDSA-N 0 1 377.286 2.746 20 0 GFADMN CC(C)(CO)[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccs1 ZINC000576588304 655449588 /nfs/dbraw/zinc/44/95/88/655449588.db2.gz SEOQAOJNOJSTLJ-HNNXBMFYSA-N 0 1 388.942 2.898 20 0 GFADMN CN1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000264036381 655456385 /nfs/dbraw/zinc/45/63/85/655456385.db2.gz ARIRDBFLCWZDOO-UHFFFAOYSA-N 0 1 381.314 2.661 20 0 GFADMN COC(=O)CSCCC(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000264174030 655458459 /nfs/dbraw/zinc/45/84/59/655458459.db2.gz WFYMZLFTVJMOFY-UHFFFAOYSA-N 0 1 382.551 2.779 20 0 GFADMN Cc1n[nH]c([C@H]2CCN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)n1 ZINC000577468799 655460250 /nfs/dbraw/zinc/46/02/50/655460250.db2.gz LSNHWRTXZMIACE-NSHDSACASA-N 0 1 378.267 2.990 20 0 GFADMN Cc1nnc([C@H]2CCN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)[nH]1 ZINC000577468799 655460252 /nfs/dbraw/zinc/46/02/52/655460252.db2.gz LSNHWRTXZMIACE-NSHDSACASA-N 0 1 378.267 2.990 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000264436728 655463632 /nfs/dbraw/zinc/46/36/32/655463632.db2.gz BIONYACTEYXWRA-YCPHGPKFSA-N 0 1 384.307 2.553 20 0 GFADMN O=C([O-])COCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000577856739 655468617 /nfs/dbraw/zinc/46/86/17/655468617.db2.gz GYIBFFGWUCXLFF-CYBMUJFWSA-N 0 1 375.206 2.529 20 0 GFADMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000264726952 655469251 /nfs/dbraw/zinc/46/92/51/655469251.db2.gz IFPSSJFJORHZNI-OAHLLOKOSA-N 0 1 378.929 2.748 20 0 GFADMN Cc1ncc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)[nH]1 ZINC000264822433 655471252 /nfs/dbraw/zinc/47/12/52/655471252.db2.gz HQVKSVOYNYDURX-UHFFFAOYSA-N 0 1 391.269 2.972 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000578297552 655476094 /nfs/dbraw/zinc/47/60/94/655476094.db2.gz KNZYPYQUFZTWFZ-IMRBUKKESA-N 0 1 376.258 2.832 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000578297552 655476095 /nfs/dbraw/zinc/47/60/95/655476095.db2.gz KNZYPYQUFZTWFZ-IMRBUKKESA-N 0 1 376.258 2.832 20 0 GFADMN Cc1cc(CC(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)no1 ZINC000265023885 655476131 /nfs/dbraw/zinc/47/61/31/655476131.db2.gz DGZSODVGVWTSBY-UHFFFAOYSA-N 0 1 393.285 2.679 20 0 GFADMN C[C@H](CNC(=O)c1cc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000265148149 655478234 /nfs/dbraw/zinc/47/82/34/655478234.db2.gz XZWOPLGJLMAUSF-GFCCVEGCSA-N 0 1 380.286 2.561 20 0 GFADMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076290 655493126 /nfs/dbraw/zinc/49/31/26/655493126.db2.gz JVTHELMPDUJJME-CVEARBPZSA-N 0 1 394.313 2.545 20 0 GFADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000579076290 655493129 /nfs/dbraw/zinc/49/31/29/655493129.db2.gz JVTHELMPDUJJME-CVEARBPZSA-N 0 1 394.313 2.545 20 0 GFADMN Cc1n[nH]c([C@H]2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)n1 ZINC000579090921 655493557 /nfs/dbraw/zinc/49/35/57/655493557.db2.gz IQFXEABCWSMFPG-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN Cc1nnc([C@H]2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)[nH]1 ZINC000579090921 655493558 /nfs/dbraw/zinc/49/35/58/655493558.db2.gz IQFXEABCWSMFPG-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN Cc1n[nH]c([C@H]2CCN(Cc3nnc(-c4ccccc4Br)o3)C2)n1 ZINC000579326294 655497963 /nfs/dbraw/zinc/49/79/63/655497963.db2.gz HCVMUQFIXLRRNN-NSHDSACASA-N 0 1 389.257 2.915 20 0 GFADMN CCc1cccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000579482190 655500175 /nfs/dbraw/zinc/50/01/75/655500175.db2.gz KLJFAZQALOTOPS-UHFFFAOYSA-N 0 1 380.535 2.621 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595784332 655512911 /nfs/dbraw/zinc/51/29/11/655512911.db2.gz UTRDCKNGSQEGQG-CHWSQXEVSA-N 0 1 387.263 2.612 20 0 GFADMN Brc1ccccc1-c1nnc(CN2CC[C@H](C3OCCO3)C2)o1 ZINC000719058153 655524231 /nfs/dbraw/zinc/52/42/31/655524231.db2.gz MLNKWQPNGNFIHV-NSHDSACASA-N 0 1 380.242 2.694 20 0 GFADMN Cc1ccc(/C=C\C(=O)NC[C@H](C)N2CCN(C)CC2)c(Br)c1 ZINC000726985465 655540437 /nfs/dbraw/zinc/54/04/37/655540437.db2.gz NAXWNSCVFBDTCJ-XHPSBEMXSA-N 0 1 380.330 2.523 20 0 GFADMN C[C@](O)(CN1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000727828613 655550024 /nfs/dbraw/zinc/55/00/24/655550024.db2.gz XSFWHXQAUTXJIG-SFHVURJKSA-N 0 1 376.298 2.874 20 0 GFADMN COCCn1c(=O)cc(O)nc1SCc1cc(F)ccc1Br ZINC000729673816 655566569 /nfs/dbraw/zinc/56/65/69/655566569.db2.gz JWDDQZSJJNTHBS-UHFFFAOYSA-N 0 1 389.246 2.789 20 0 GFADMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1c(Cl)nc2sccn21 ZINC000730814098 655578381 /nfs/dbraw/zinc/57/83/81/655578381.db2.gz HUEKXUVXPYCIAB-GHMZBOCLSA-N 0 1 376.935 2.590 20 0 GFADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000731903059 655589060 /nfs/dbraw/zinc/58/90/60/655589060.db2.gz ZQHYHYPVNANNIT-HSZRJFAPSA-N 0 1 387.866 2.665 20 0 GFADMN CCc1cc(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000732787874 655601916 /nfs/dbraw/zinc/60/19/16/655601916.db2.gz AGBDIHSSGIZYPL-SNVBAGLBSA-N 0 1 381.263 2.948 20 0 GFADMN CC(C)(C)c1nc(CNCC2CCN(S(=O)(=O)C(F)F)CC2)cs1 ZINC000732985703 655605686 /nfs/dbraw/zinc/60/56/86/655605686.db2.gz OAPWTKYLPGOCKB-UHFFFAOYSA-N 0 1 381.514 2.795 20 0 GFADMN CC(C)OC(=O)N1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000733000383 655605918 /nfs/dbraw/zinc/60/59/18/655605918.db2.gz BKXWBAHEPNCAAQ-UHFFFAOYSA-N 0 1 385.258 2.894 20 0 GFADMN CCOc1cc(Br)c(CC(=O)OCCc2c[nH]nn2)cc1OCC ZINC000734670659 655633069 /nfs/dbraw/zinc/63/30/69/655633069.db2.gz DWVMPSGRVJROOQ-UHFFFAOYSA-N 0 1 398.257 2.693 20 0 GFADMN CCOc1cc(Br)c(CC(=O)OCCc2cnn[nH]2)cc1OCC ZINC000734670659 655633071 /nfs/dbraw/zinc/63/30/71/655633071.db2.gz DWVMPSGRVJROOQ-UHFFFAOYSA-N 0 1 398.257 2.693 20 0 GFADMN CCOC(=O)COc1cccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000735267726 655643347 /nfs/dbraw/zinc/64/33/47/655643347.db2.gz WXJNKKZKVANQDO-UHFFFAOYSA-N 0 1 384.841 2.786 20 0 GFADMN CCc1cc(CNS(=O)(=O)c2ccc(Br)cc2Cl)n[nH]1 ZINC000738383354 655690645 /nfs/dbraw/zinc/69/06/45/655690645.db2.gz OSPWEWANTCETMF-UHFFFAOYSA-N 0 1 378.679 2.867 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000743941681 655732892 /nfs/dbraw/zinc/73/28/92/655732892.db2.gz XTLLPAAHCWOKCF-UHFFFAOYSA-N 0 1 378.841 2.719 20 0 GFADMN C[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC[C@H](C)C1 ZINC000746468464 655762079 /nfs/dbraw/zinc/76/20/79/655762079.db2.gz CGSLUULZFLSQTG-IUCAKERBSA-N 0 1 386.386 2.781 20 0 GFADMN O=C(COC(=O)[C@H]1CCCS1)Nc1cccc(CN2CCSCC2)c1 ZINC000750903386 655818649 /nfs/dbraw/zinc/81/86/49/655818649.db2.gz MQCZDJCRAULQPS-MRXNPFEDSA-N 0 1 380.535 2.613 20 0 GFADMN CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000751067884 655821049 /nfs/dbraw/zinc/82/10/49/655821049.db2.gz DDIATWSUWUXNOI-VIFPVBQESA-N 0 1 385.169 2.934 20 0 GFADMN C[C@@H](NS(=O)(=O)c1cccnc1Cl)c1nc(Cc2ccccc2)no1 ZINC000751986814 655837826 /nfs/dbraw/zinc/83/78/26/655837826.db2.gz RLUWQYCRCILXRO-LLVKDONJSA-N 0 1 378.841 2.748 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)Nc2ncnc3c2c(Br)nn3C)n[nH]1 ZINC000752930506 655848454 /nfs/dbraw/zinc/84/84/54/655848454.db2.gz IZZJWTCZIRBEOT-JGVFFNPUSA-N 0 1 379.266 2.931 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cnc(Br)cc2C)cc1OC ZINC000754265588 655865844 /nfs/dbraw/zinc/86/58/44/655865844.db2.gz QCHPGHIDGVEDNO-UHFFFAOYSA-N 0 1 387.255 2.971 20 0 GFADMN O=C(CN[C@H](CCO)c1cccs1)NCCc1nc2ccccc2s1 ZINC000754387505 655867213 /nfs/dbraw/zinc/86/72/13/655867213.db2.gz VRQCZGDNIZJXAF-CYBMUJFWSA-N 0 1 375.519 2.730 20 0 GFADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000754754943 655872566 /nfs/dbraw/zinc/87/25/66/655872566.db2.gz PNDHDRZYIPCLKN-UHFFFAOYSA-N 0 1 376.221 2.558 20 0 GFADMN O=C(Nc1ccc2c(c1)OCO2)c1cccc(I)c1O ZINC000754821082 655874701 /nfs/dbraw/zinc/87/47/01/655874701.db2.gz OPGJIYMEJUCYEB-UHFFFAOYSA-N 0 1 383.141 2.978 20 0 GFADMN O=C(NCc1nccn1C(F)F)c1cccc(I)c1O ZINC000755188156 655880999 /nfs/dbraw/zinc/88/09/99/655880999.db2.gz HMWOSJTYTIVSLX-UHFFFAOYSA-N 0 1 393.131 2.518 20 0 GFADMN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)cc21 ZINC000755404693 655882989 /nfs/dbraw/zinc/88/29/89/655882989.db2.gz ANZUWQQVPVSUPJ-UHFFFAOYSA-N 0 1 383.788 2.943 20 0 GFADMN CO[C@@H](CNC(=O)c1cccc(I)c1O)C(C)(C)C ZINC000755436196 655883309 /nfs/dbraw/zinc/88/33/09/655883309.db2.gz YOMKVNKRHMGOOS-NSHDSACASA-N 0 1 377.222 2.788 20 0 GFADMN C[C@@H]1N(C(=O)c2cccc(I)c2O)CCOC1(C)C ZINC000755520807 655885145 /nfs/dbraw/zinc/88/51/45/655885145.db2.gz PCCICQJSKYLPPF-VIFPVBQESA-N 0 1 375.206 2.636 20 0 GFADMN O=C(CNC(=O)c1cccc(I)c1O)c1cccs1 ZINC000755642730 655886784 /nfs/dbraw/zinc/88/67/84/655886784.db2.gz HPSPYWRHFPMXQG-UHFFFAOYSA-N 0 1 387.198 2.671 20 0 GFADMN CO[C@H]1CCC[C@H]1CNC(=O)c1cccc(I)c1O ZINC000755881523 655890387 /nfs/dbraw/zinc/89/03/87/655890387.db2.gz QYMJFIVZGJHRHL-CABZTGNLSA-N 0 1 375.206 2.542 20 0 GFADMN COC1(C)CCN(C(=O)c2cccc(I)c2O)CC1 ZINC000755877072 655890401 /nfs/dbraw/zinc/89/04/01/655890401.db2.gz AMXMFPPMVDJYIC-UHFFFAOYSA-N 0 1 375.206 2.638 20 0 GFADMN CCc1cc(CNC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)n[nH]1 ZINC000756102903 655895001 /nfs/dbraw/zinc/89/50/01/655895001.db2.gz QDISHXRFDLKCSP-HNNXBMFYSA-N 0 1 390.285 2.884 20 0 GFADMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cccc(I)c1O ZINC000756131736 655895496 /nfs/dbraw/zinc/89/54/96/655895496.db2.gz LLBBNFXZVZMQFL-GXFFZTMASA-N 0 1 389.233 2.620 20 0 GFADMN O=C(OCc1nnc(Cc2ccccc2Br)[nH]1)[C@@H]1CCSC1 ZINC000760306529 655975361 /nfs/dbraw/zinc/97/53/61/655975361.db2.gz OHCGRWRQYIEZNT-LLVKDONJSA-N 0 1 382.283 2.954 20 0 GFADMN O=C(OCc1n[nH]c(Cc2ccccc2Br)n1)[C@@H]1CCSC1 ZINC000760306529 655975363 /nfs/dbraw/zinc/97/53/63/655975363.db2.gz OHCGRWRQYIEZNT-LLVKDONJSA-N 0 1 382.283 2.954 20 0 GFADMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cs2)cc1 ZINC000760363365 655977425 /nfs/dbraw/zinc/97/74/25/655977425.db2.gz CZCCDBAFERFJIC-UHFFFAOYSA-N 0 1 383.447 2.902 20 0 GFADMN C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@@H](C3CC3)C2)C1=O ZINC000763330728 656079484 /nfs/dbraw/zinc/07/94/84/656079484.db2.gz DKSONPNTWIFKIN-ACJLOTCBSA-N 0 1 392.297 2.906 20 0 GFADMN CN(CC(=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCSC1 ZINC000764071899 656100027 /nfs/dbraw/zinc/10/00/27/656100027.db2.gz VRBGVGDKQNVNKV-UKRRQHHQSA-N 0 1 396.862 2.643 20 0 GFADMN O=S(=O)(CCNCc1c(-c2ccccc2)nc2sccn12)CC1CC1 ZINC000765309045 656140013 /nfs/dbraw/zinc/14/00/13/656140013.db2.gz HEAXJMYEUWNJPK-UHFFFAOYSA-N 0 1 375.519 2.977 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2C)c1 ZINC000765640937 656146591 /nfs/dbraw/zinc/14/65/91/656146591.db2.gz HYVUXGRMDXGEIX-UHFFFAOYSA-N 0 1 383.267 2.966 20 0 GFADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CSCCS3)n2)cc1 ZINC000765818145 656152968 /nfs/dbraw/zinc/15/29/68/656152968.db2.gz PRQHIUDKZRERIT-ZDUSSCGKSA-N 0 1 380.564 2.837 20 0 GFADMN CCN1C[C@H](C)N(C(=O)/C=C\c2ccc(I)o2)C[C@@H]1C ZINC000765923726 656154789 /nfs/dbraw/zinc/15/47/89/656154789.db2.gz JBKNARYDCUHEQA-HTMRKKJOSA-N 0 1 388.249 2.839 20 0 GFADMN CS[C@@H](C)CC(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000766918696 656188615 /nfs/dbraw/zinc/18/86/15/656188615.db2.gz MUXUTEAFYWVADN-AWEZNQCLSA-N 0 1 382.551 2.859 20 0 GFADMN CNC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(OC)c2)cc1Cl ZINC000767452529 656204061 /nfs/dbraw/zinc/20/40/61/656204061.db2.gz SRTVKRIOHJYSLR-UHFFFAOYSA-N 0 1 390.248 2.557 20 0 GFADMN COc1cc(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cnc1Cl ZINC000767459529 656204619 /nfs/dbraw/zinc/20/46/19/656204619.db2.gz KNCGVDSJCRERMG-CYBMUJFWSA-N 0 1 384.841 2.712 20 0 GFADMN C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000767716586 656216321 /nfs/dbraw/zinc/21/63/21/656216321.db2.gz OZQVTSFONZIJCF-UHFFFAOYSA-N 0 1 382.283 2.633 20 0 GFADMN C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000767716586 656216325 /nfs/dbraw/zinc/21/63/25/656216325.db2.gz OZQVTSFONZIJCF-UHFFFAOYSA-N 0 1 382.283 2.633 20 0 GFADMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCCC(F)(F)C1 ZINC000767929910 656228032 /nfs/dbraw/zinc/22/80/32/656228032.db2.gz SEMXESFZMJCRPK-VXGBXAGGSA-N 0 1 381.876 2.872 20 0 GFADMN Cc1nc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000770640305 656325520 /nfs/dbraw/zinc/32/55/20/656325520.db2.gz PQWNOUNBSLFJRK-CYBMUJFWSA-N 0 1 383.235 2.768 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)OCc1n[nH]c(C)n1 ZINC000770638625 656325632 /nfs/dbraw/zinc/32/56/32/656325632.db2.gz AZYVYSKOQXJKKN-LLVKDONJSA-N 0 1 383.495 2.521 20 0 GFADMN COC(=O)C[C@]1(NCC(=O)Nc2cccc(Cl)c2Cl)CCCOC1 ZINC000770697618 656327326 /nfs/dbraw/zinc/32/73/26/656327326.db2.gz JSMCZYPZUZPAKG-MRXNPFEDSA-N 0 1 375.252 2.634 20 0 GFADMN COC(=O)C[C@]1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCCOC1 ZINC000770711348 656327839 /nfs/dbraw/zinc/32/78/39/656327839.db2.gz UVBTUSBAASLJSE-MRXNPFEDSA-N 0 1 375.252 2.634 20 0 GFADMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000771504048 656351330 /nfs/dbraw/zinc/35/13/30/656351330.db2.gz JBNXXVYTFYDSMT-UHFFFAOYSA-N 0 1 388.804 2.815 20 0 GFADMN Cc1nc(S(=O)(=O)NCCNc2ccccc2)sc1Br ZINC000771781148 656361744 /nfs/dbraw/zinc/36/17/44/656361744.db2.gz SDAKKXJAKGHDSY-UHFFFAOYSA-N 0 1 376.301 2.604 20 0 GFADMN OC[C@@H](NCc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000771822341 656363212 /nfs/dbraw/zinc/36/32/12/656363212.db2.gz WXKIECZTFRYQQK-CQSZACIVSA-N 0 1 384.217 2.807 20 0 GFADMN Cn1ccnc1-c1cc(NC(=O)COc2cccc(Br)c2)[nH]n1 ZINC000772495464 656381283 /nfs/dbraw/zinc/38/12/83/656381283.db2.gz FEKANHJKXAJZGH-UHFFFAOYSA-N 0 1 376.214 2.590 20 0 GFADMN COc1ccc([C@@H](C)NCCS(=O)(=O)CC2CC2)cc1Br ZINC000773064396 656398188 /nfs/dbraw/zinc/39/81/88/656398188.db2.gz GXPVDULTQIINCG-LLVKDONJSA-N 0 1 376.316 2.933 20 0 GFADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000773164442 656402287 /nfs/dbraw/zinc/40/22/87/656402287.db2.gz XLVFLEMXDGATCT-DMDPSCGWSA-N 0 1 384.292 2.927 20 0 GFADMN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000773312894 656411026 /nfs/dbraw/zinc/41/10/26/656411026.db2.gz BBZHIUVUSLRDQT-ZANVPECISA-N 0 1 386.235 2.912 20 0 GFADMN O=S1(=O)CC[C@H](CNCc2nc3ccc(Br)cc3s2)C1 ZINC000774951451 656574494 /nfs/dbraw/zinc/57/44/94/656574494.db2.gz SBCMKJOTLJPHOQ-SECBINFHSA-N 0 1 375.313 2.583 20 0 GFADMN COC(=O)c1cn(C2CCN(Cc3cc(C)cc(Br)c3)CC2)nn1 ZINC000775063594 656590982 /nfs/dbraw/zinc/59/09/82/656590982.db2.gz UMZMOPUWRAGUBW-UHFFFAOYSA-N 0 1 393.285 2.973 20 0 GFADMN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cccc(Br)c2O)C1 ZINC000775375828 656633870 /nfs/dbraw/zinc/63/38/70/656633870.db2.gz XEFIPKXBEMZSIA-MNOVXSKESA-N 0 1 385.258 2.751 20 0 GFADMN O=C([C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000775602074 656654424 /nfs/dbraw/zinc/65/44/24/656654424.db2.gz LQCMKZXZDISRAT-PBHICJAKSA-N 0 1 399.304 2.956 20 0 GFADMN COc1cccc([C@H](CNC(=O)c2scnc2Br)N(C)C)c1 ZINC000777790430 656834729 /nfs/dbraw/zinc/83/47/29/656834729.db2.gz WOMUDAQKDAQXMG-LBPRGKRZSA-N 0 1 384.299 2.947 20 0 GFADMN COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)on1 ZINC000777805651 656836765 /nfs/dbraw/zinc/83/67/65/656836765.db2.gz ILHBGMIBCVUVSI-UHFFFAOYSA-N 0 1 375.562 2.835 20 0 GFADMN CCCCCC[N@@H+](C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000778724077 656889116 /nfs/dbraw/zinc/88/91/16/656889116.db2.gz MRISTFJGLAHZBJ-UHFFFAOYSA-N 0 1 388.917 2.592 20 0 GFADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2C(C)=O)c1 ZINC000780418575 657004802 /nfs/dbraw/zinc/00/48/02/657004802.db2.gz RLAAATPRHFZFHU-UHFFFAOYSA-N 0 1 381.475 2.792 20 0 GFADMN CC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000780415761 657005055 /nfs/dbraw/zinc/00/50/55/657005055.db2.gz AUUIGTXPCQGBPO-UHFFFAOYSA-N 0 1 381.475 2.543 20 0 GFADMN O=C(Cc1ccc(Br)cc1O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000781924124 657090098 /nfs/dbraw/zinc/09/00/98/657090098.db2.gz ZBLYXSYDISHWGN-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN O=C(Cc1ccc(Br)cc1O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000781924124 657090102 /nfs/dbraw/zinc/09/01/02/657090102.db2.gz ZBLYXSYDISHWGN-UHFFFAOYSA-N 0 1 387.237 2.799 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000783736100 657257028 /nfs/dbraw/zinc/25/70/28/657257028.db2.gz UNZCSTMTVNXAMH-GFCCVEGCSA-N 0 1 376.448 2.508 20 0 GFADMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1cncc(Br)c1 ZINC000785075451 657340622 /nfs/dbraw/zinc/34/06/22/657340622.db2.gz MDOAFIPTTGCVBB-UHFFFAOYSA-N 0 1 385.239 2.573 20 0 GFADMN O=C(CCc1nc[nH]n1)OCc1ccc(Cl)cc1I ZINC000786678248 657452185 /nfs/dbraw/zinc/45/21/85/657452185.db2.gz PWWQHLIWVJTMRB-UHFFFAOYSA-N 0 1 391.596 2.739 20 0 GFADMN C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1ccc(N2CCNC2=O)cc1 ZINC000786925888 657489946 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563527154 /nfs/dbraw/zinc/52/71/54/563527154.db2.gz XKYKODHXVZGLQI-INIZCTEOSA-N 0 1 384.933 2.508 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1Br ZINC000330961887 563529650 /nfs/dbraw/zinc/52/96/50/563529650.db2.gz PWGMFYJAFFWTHN-JTQLQIEISA-N 0 1 386.290 2.929 20 0 GFADMN Cc1c(Br)cccc1NC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000429963612 563530193 /nfs/dbraw/zinc/53/01/93/563530193.db2.gz AXAIWDLSJMFXPN-UHFFFAOYSA-N 0 1 375.230 3.525 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@H]2CCCN(C(C)C)C2)cc1Br ZINC000331030861 563532476 /nfs/dbraw/zinc/53/24/76/563532476.db2.gz GBGSONKFLLHMNK-LBPRGKRZSA-N 0 1 391.331 2.609 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C)[S@@]1=O ZINC000331097566 563535134 /nfs/dbraw/zinc/53/51/34/563535134.db2.gz BELLPDLVNUWLRK-OHBMEQOUSA-N 0 1 396.310 2.821 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc(Br)cc2Cl)C1 ZINC000285751103 563535169 /nfs/dbraw/zinc/53/51/69/563535169.db2.gz LKYNWOHLYCSYRL-SKDRFNHKSA-N 0 1 385.649 2.823 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CN(C)C)sc1Br ZINC000405194507 563538050 /nfs/dbraw/zinc/53/80/50/563538050.db2.gz ZZCKEUNSELAFGX-LLVKDONJSA-N 0 1 381.361 2.924 20 0 GFADMN COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CN(C)C ZINC000405072345 563538174 /nfs/dbraw/zinc/53/81/74/563538174.db2.gz GAUVWYPSNANGBP-ZDUSSCGKSA-N 0 1 391.331 2.563 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000285939949 563542938 /nfs/dbraw/zinc/54/29/38/563542938.db2.gz VMSXGEMVYASDBV-NEPJUHHUSA-N 0 1 385.649 2.823 20 0 GFADMN Cc1ccc([C@@H](N)C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000430594301 563545640 /nfs/dbraw/zinc/54/56/40/563545640.db2.gz QNALONIOHDRIIV-MRXNPFEDSA-N 0 1 391.265 2.845 20 0 GFADMN Cc1cccc(C[C@@H](CO)NCc2ncc(I)s2)c1 ZINC000286128306 563549832 /nfs/dbraw/zinc/54/98/32/563549832.db2.gz VAFYHNCYWKSZKK-LBPRGKRZSA-N 0 1 388.274 2.749 20 0 GFADMN CC[C@@]1(C)CN(C(=O)c2[nH]nc3ccc(I)cc32)CCO1 ZINC000408309834 563550747 /nfs/dbraw/zinc/55/07/47/563550747.db2.gz ZJKJPICXAFMZOR-HNNXBMFYSA-N 0 1 399.232 2.809 20 0 GFADMN CN(C)C(=O)C1(CNC(=O)c2cc(Br)cc3nc[nH]c32)CCCC1 ZINC000331492318 563551292 /nfs/dbraw/zinc/55/12/92/563551292.db2.gz JCGWDEXANPGGEF-UHFFFAOYSA-N 0 1 393.285 2.704 20 0 GFADMN C[C@@H](O)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000408351278 563552475 /nfs/dbraw/zinc/55/24/75/563552475.db2.gz CRECJKCNTLGMQU-SNVBAGLBSA-N 0 1 379.254 2.524 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408462020 563557428 /nfs/dbraw/zinc/55/74/28/563557428.db2.gz XRQQPONNGYYOMY-IUODEOHRSA-N 0 1 379.400 2.727 20 0 GFADMN Cc1cc(C)c(S(=O)(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000431522025 563561944 /nfs/dbraw/zinc/56/19/44/563561944.db2.gz TVNUXBXMBMSOAF-GASCZTMLSA-N 0 1 386.583 2.875 20 0 GFADMN CC(C)(C(=O)N1CCN(c2cccc(Br)c2)CC1)c1c[nH]cn1 ZINC000332120718 563577642 /nfs/dbraw/zinc/57/76/42/563577642.db2.gz IJALKDRTRJMLCX-UHFFFAOYSA-N 0 1 377.286 2.799 20 0 GFADMN COCc1nc2cc(NS(=O)(=O)c3csc(C(=O)OC)c3)ccc2o1 ZINC000432361386 563581916 /nfs/dbraw/zinc/58/19/16/563581916.db2.gz ZPRYMHIPYBJJQH-UHFFFAOYSA-N 0 1 382.419 2.623 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1Cc1nc2ccc(Br)cc2o1 ZINC000332221189 563584506 /nfs/dbraw/zinc/58/45/06/563584506.db2.gz JJTTWVWAVMELHU-LBPRGKRZSA-N 0 1 382.302 2.867 20 0 GFADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(-n3ccnn3)c2)s1 ZINC000287160227 563590504 /nfs/dbraw/zinc/59/05/04/563590504.db2.gz TXBQQQNLTXCVSX-CYBMUJFWSA-N 0 1 376.507 2.973 20 0 GFADMN Cc1ccc(NC(=O)C2CCN([C@@H]3CCSC3)CC2)cc1S(C)(=O)=O ZINC000332336968 563594212 /nfs/dbraw/zinc/59/42/12/563594212.db2.gz UXIHXAXODXHAIF-MRXNPFEDSA-N 0 1 382.551 2.555 20 0 GFADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cccnc2C(F)(F)F)n[nH]1 ZINC000287300841 563595720 /nfs/dbraw/zinc/59/57/20/563595720.db2.gz JOKAQYZSNPPELI-IUCAKERBSA-N 0 1 377.392 2.772 20 0 GFADMN COc1cc2c(cc1OC)CCN(Cc1nn(C)cc1Br)CC2 ZINC000432929508 563597141 /nfs/dbraw/zinc/59/71/41/563597141.db2.gz QZSDOJFEAPNGNF-UHFFFAOYSA-N 0 1 380.286 2.801 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332466838 563600129 /nfs/dbraw/zinc/60/01/29/563600129.db2.gz SKIWPKWCKORYOI-APPDUMDISA-N 0 1 380.286 2.820 20 0 GFADMN NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000332510117 563602477 /nfs/dbraw/zinc/60/24/77/563602477.db2.gz JKQQXTMULUKKPO-SECBINFHSA-N 0 1 378.226 2.678 20 0 GFADMN C[C@H]1[C@H](CO)CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332539927 563603687 /nfs/dbraw/zinc/60/36/87/563603687.db2.gz XCDPWSLVTJIWAJ-QWRGUYRKSA-N 0 1 379.254 2.524 20 0 GFADMN CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H](C)C1 ZINC000332544605 563604141 /nfs/dbraw/zinc/60/41/41/563604141.db2.gz ZUEBUMFQKDGTTJ-ZYHUDNBSSA-N 0 1 379.254 2.930 20 0 GFADMN Cc1nc([C@H](C)NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)n[nH]1 ZINC000287639173 563611199 /nfs/dbraw/zinc/61/11/99/563611199.db2.gz CDNJUALPNLZTAD-ISVAXAHUSA-N 0 1 379.262 2.782 20 0 GFADMN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2n[nH]c(CC)c2Br)C1 ZINC000332725741 563613417 /nfs/dbraw/zinc/61/34/17/563613417.db2.gz SISUWFGIPRDBSZ-INIZCTEOSA-N 0 1 386.290 2.786 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000287746321 563616450 /nfs/dbraw/zinc/61/64/50/563616450.db2.gz UPTWBEXDSDQXBM-JTQLQIEISA-N 0 1 383.279 2.731 20 0 GFADMN Cc1nc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(Br)s1 ZINC000411478495 563620387 /nfs/dbraw/zinc/62/03/87/563620387.db2.gz ULCYKRLJXGQFSS-SNVBAGLBSA-N 0 1 388.331 2.539 20 0 GFADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(F)cc2Br)cn1 ZINC000433997606 563624800 /nfs/dbraw/zinc/62/48/00/563624800.db2.gz SCHIHPKQAJDGDS-WBVHZDCISA-N 0 1 395.276 2.914 20 0 GFADMN Cc1nc([C@@H](C)N(C)Cc2cn(-c3cccc(Br)c3)nn2)n[nH]1 ZINC000411661995 563628374 /nfs/dbraw/zinc/62/83/74/563628374.db2.gz NIEXTQQFBNKYLD-SNVBAGLBSA-N 0 1 376.262 2.649 20 0 GFADMN CCOCC[C@@H](O)CN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000434635098 563632944 /nfs/dbraw/zinc/63/29/44/563632944.db2.gz VOUMLOSZYIMZJG-MAUKXSAKSA-N 0 1 385.346 2.915 20 0 GFADMN Cc1cc(Br)c(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1Cl ZINC000288198804 563633166 /nfs/dbraw/zinc/63/31/66/563633166.db2.gz BUNSLNJKFJONKG-LBPRGKRZSA-N 0 1 388.737 2.777 20 0 GFADMN COC[C@@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000434781663 563638289 /nfs/dbraw/zinc/63/82/89/563638289.db2.gz AMXSCOFLUCNSJE-KGLIPLIRSA-N 0 1 382.309 2.551 20 0 GFADMN Cn1cnc2cc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)ccc21 ZINC000435197122 563644473 /nfs/dbraw/zinc/64/44/73/563644473.db2.gz PZNDYESOCDOHGY-UHFFFAOYSA-N 0 1 379.825 2.799 20 0 GFADMN CN(CC(=O)N1CCNCC1)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000435389342 563649006 /nfs/dbraw/zinc/64/90/06/563649006.db2.gz KFXSQKGCHZJLSW-UHFFFAOYSA-N 0 1 399.347 2.981 20 0 GFADMN CNc1cc(I)ccc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000412366179 563655196 /nfs/dbraw/zinc/65/51/96/563655196.db2.gz FJEUIZWLKSENCH-UHFFFAOYSA-N 0 1 399.236 2.504 20 0 GFADMN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1)c1nnc[nH]1 ZINC000288834145 563658675 /nfs/dbraw/zinc/65/86/75/563658675.db2.gz HGVDPJODWFMXAU-RXMQYKEDSA-N 0 1 379.140 2.864 20 0 GFADMN Cn1cc(-c2[nH]ncc2C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cn1 ZINC000435959158 563661355 /nfs/dbraw/zinc/66/13/55/563661355.db2.gz BZFWRWRMPJBJBZ-SWLSCSKDSA-N 0 1 386.253 2.859 20 0 GFADMN O=S1(=O)NC(CSc2nnc(C(F)(F)F)s2)=Nc2ccccc21 ZINC000436051763 563663419 /nfs/dbraw/zinc/66/34/19/563663419.db2.gz BKMQCHXYOUVKSL-UHFFFAOYSA-N 0 1 380.398 2.671 20 0 GFADMN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCN(CC(C)(C)O)CC1 ZINC000436094536 563664424 /nfs/dbraw/zinc/66/44/24/563664424.db2.gz UGWBTRFRWUJZBX-OAHLLOKOSA-N 0 1 375.296 2.596 20 0 GFADMN CCO[C@@H]1C[C@@](CO)(NCc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387682 563669978 /nfs/dbraw/zinc/66/99/78/563669978.db2.gz KKIQNIWTONFBFG-WBVHZDCISA-N 0 1 386.286 2.834 20 0 GFADMN C[C@]1(C[C@@H]2CCCN2Cc2cc(Br)ccc2F)NC(=O)NC1=O ZINC000289207653 563671666 /nfs/dbraw/zinc/67/16/66/563671666.db2.gz BUQDHZXPDXWCOH-BLLLJJGKSA-N 0 1 384.249 2.541 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436629452 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/nfs/dbraw/zinc/48/42/60/564484260.db2.gz SSWYXBRNSNAUSB-YGRLFVJLSA-N 0 1 391.306 2.658 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](C)CCC(=O)OC(C)C)sc1Br ZINC000480733269 564485242 /nfs/dbraw/zinc/48/52/42/564485242.db2.gz AEWLNTOVBNJXMD-QMMMGPOBSA-N 0 1 399.332 2.613 20 0 GFADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1conc1C(C)(C)N ZINC000515867156 564489382 /nfs/dbraw/zinc/48/93/82/564489382.db2.gz IAPNXQVQIYMNRU-UHFFFAOYSA-N 0 1 385.251 2.886 20 0 GFADMN Cc1n[nH]c([C@@H]2CCN(CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)C2)n1 ZINC000516009780 564491174 /nfs/dbraw/zinc/49/11/74/564491174.db2.gz JNIUYGYYYHYYFX-CYBMUJFWSA-N 0 1 382.295 2.868 20 0 GFADMN Cc1nnc([C@@H]2CCN(CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)C2)[nH]1 ZINC000516009780 564491176 /nfs/dbraw/zinc/49/11/76/564491176.db2.gz JNIUYGYYYHYYFX-CYBMUJFWSA-N 0 1 382.295 2.868 20 0 GFADMN O=c1[nH]nc2n1CCN(Cc1csc(-c3cccc(Br)c3)n1)C2 ZINC000547543694 564492113 /nfs/dbraw/zinc/49/21/13/564492113.db2.gz UCYPZPYBFAKTMI-UHFFFAOYSA-N 0 1 392.282 2.886 20 0 GFADMN CC(C)(O)CN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)C1CC1 ZINC000570153294 564493465 /nfs/dbraw/zinc/49/34/65/564493465.db2.gz OFGFSCDIOJTRLE-UHFFFAOYSA-N 0 1 379.254 2.666 20 0 GFADMN C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ncc(Br)cc1F ZINC000547653937 564506099 /nfs/dbraw/zinc/50/60/99/564506099.db2.gz HFNZIUMMYPZPLM-WCQGTBRESA-N 0 1 379.295 2.990 20 0 GFADMN O=C1NCc2c1cccc2NS(=O)(=O)c1ccc(F)cc1Br ZINC000516677747 564509597 /nfs/dbraw/zinc/50/95/97/564509597.db2.gz PHCILKTUAFESSO-UHFFFAOYSA-N 0 1 385.214 2.632 20 0 GFADMN CN(C)[C@@]1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCSC1 ZINC000481336457 564510354 /nfs/dbraw/zinc/51/03/54/564510354.db2.gz HRGMPACUOXBTCR-CQSZACIVSA-N 0 1 382.473 2.562 20 0 GFADMN CCc1nc([C@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)n[nH]1 ZINC000547826172 564512405 /nfs/dbraw/zinc/51/24/05/564512405.db2.gz QGHCQODQUJITON-JOYOIKCWSA-N 0 1 399.314 2.699 20 0 GFADMN O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000570627740 564514369 /nfs/dbraw/zinc/51/43/69/564514369.db2.gz 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GFADMN Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000517788480 564541909 /nfs/dbraw/zinc/54/19/09/564541909.db2.gz WLTLIHAUZXURCZ-ZDUSSCGKSA-N 0 1 392.301 2.806 20 0 GFADMN CCn1nccc1CN(CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000482921689 564553572 /nfs/dbraw/zinc/55/35/72/564553572.db2.gz UEZRWBTWGAJQHE-UHFFFAOYSA-N 0 1 378.274 2.536 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c(C)s1 ZINC000518460236 564553979 /nfs/dbraw/zinc/55/39/79/564553979.db2.gz QGPLOVRLKOYCRX-UHFFFAOYSA-N 0 1 379.463 2.564 20 0 GFADMN CCCN1CCC[C@@H]1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482997783 564555584 /nfs/dbraw/zinc/55/55/84/564555584.db2.gz RGLUNLLBTZAGAD-CYBMUJFWSA-N 0 1 375.332 2.706 20 0 GFADMN O=c1[n-]c(C2CC[NH+](CC[S@](=O)c3cc(Cl)ccc3Cl)CC2)n[nH]1 ZINC000571558677 564557053 /nfs/dbraw/zinc/55/70/53/564557053.db2.gz CVNMKWGISDQMJC-DEOSSOPVSA-N 0 1 389.308 2.804 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)N[C@@H](C)CN2CCC(C)CC2)cc1Cl ZINC000571777189 564566320 /nfs/dbraw/zinc/56/63/20/564566320.db2.gz UZQWBLLPFIZLBR-ZDUSSCGKSA-N 0 1 390.933 2.756 20 0 GFADMN C[C@H](NCC[C@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773065 564566355 /nfs/dbraw/zinc/56/63/55/564566355.db2.gz YBWIGARYYHFKFD-JQWIXIFHSA-N 0 1 379.258 2.676 20 0 GFADMN O=C1CCCN1[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000483444170 564568306 /nfs/dbraw/zinc/56/83/06/564568306.db2.gz XSJCYJIRVWZHQK-KRWDZBQOSA-N 0 1 389.297 2.832 20 0 GFADMN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2cccc(Br)c2O)CCO1 ZINC000519093821 564569230 /nfs/dbraw/zinc/56/92/30/564569230.db2.gz JWASGBBNWFKFDD-YGRLFVJLSA-N 0 1 380.242 2.538 20 0 GFADMN COc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(Br)c1 ZINC000519144142 564570634 /nfs/dbraw/zinc/57/06/34/564570634.db2.gz KSTJPBRLSBQMHB-SECBINFHSA-N 0 1 382.214 2.566 20 0 GFADMN COc1ccccc1[C@@H](CO)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000548871722 564579516 /nfs/dbraw/zinc/57/95/16/564579516.db2.gz MNZRRQBHLWWJJO-CQSZACIVSA-N 0 1 390.237 2.797 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cnccc2C(F)(F)F)n[nH]1 ZINC000572069213 564579996 /nfs/dbraw/zinc/57/99/96/564579996.db2.gz FWQGTTQNKTYBSA-RKDXNWHRSA-N 0 1 377.392 2.772 20 0 GFADMN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cccc(Br)c1O ZINC000548913492 564581242 /nfs/dbraw/zinc/58/12/42/564581242.db2.gz XNQCHOZQODPPIA-UHFFFAOYSA-N 0 1 397.294 2.995 20 0 GFADMN CCn1cc(Br)c(=O)c(NC(=O)c2n[nH]nc2-c2ccccc2)c1 ZINC000548951358 564581823 /nfs/dbraw/zinc/58/18/23/564581823.db2.gz YFRCYLLBFGBLPG-UHFFFAOYSA-N 0 1 388.225 2.668 20 0 GFADMN C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)CN1CCCC1 ZINC000519595090 564582718 /nfs/dbraw/zinc/58/27/18/564582718.db2.gz GJQQSCUUJDHWGE-CQSZACIVSA-N 0 1 389.359 2.544 20 0 GFADMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000572284851 564587811 /nfs/dbraw/zinc/58/78/11/564587811.db2.gz HPFPUFNUMRENES-NWDGAFQWSA-N 0 1 383.311 2.973 20 0 GFADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000519782132 564590109 /nfs/dbraw/zinc/59/01/09/564590109.db2.gz XCYVFSOZMGHITG-CYBMUJFWSA-N 0 1 391.269 2.749 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000456352473 564601503 /nfs/dbraw/zinc/60/15/03/564601503.db2.gz NFQAIPMAEMOKPE-BBRMVZONSA-N 0 1 396.329 2.510 20 0 GFADMN O=S(=O)(CCNCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCCO1 ZINC000520389392 564602350 /nfs/dbraw/zinc/60/23/50/564602350.db2.gz QDQCWTQJEGQZKK-CYBMUJFWSA-N 0 1 381.325 2.572 20 0 GFADMN O=S(=O)(CCNCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCCO1 ZINC000520389398 564602587 /nfs/dbraw/zinc/60/25/87/564602587.db2.gz QDQCWTQJEGQZKK-ZDUSSCGKSA-N 0 1 381.325 2.572 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000520364433 564602705 /nfs/dbraw/zinc/60/27/05/564602705.db2.gz KYPGDXJDFFRZJD-GFCCVEGCSA-N 0 1 379.381 2.960 20 0 GFADMN C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456373072 564603288 /nfs/dbraw/zinc/60/32/88/564603288.db2.gz OYDYMAXDSUBOBS-IGCXYCKISA-N 0 1 396.329 2.953 20 0 GFADMN Cc1nc(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)sc1C(F)(F)F ZINC000572664711 564604160 /nfs/dbraw/zinc/60/41/60/564604160.db2.gz QIPDHSQNZXBEFW-VIFPVBQESA-N 0 1 380.436 2.779 20 0 GFADMN CSCc1cnc(CNC2CCN(S(=O)(=O)C(C)(C)C)CC2)s1 ZINC000549818812 564606774 /nfs/dbraw/zinc/60/67/74/564606774.db2.gz SOOVJMLXGXPWGQ-UHFFFAOYSA-N 0 1 377.601 2.688 20 0 GFADMN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000485188491 564609243 /nfs/dbraw/zinc/60/92/43/564609243.db2.gz CDADMPOAPUTDDF-UHFFFAOYSA-N 0 1 377.846 2.825 20 0 GFADMN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000550031343 564613336 /nfs/dbraw/zinc/61/33/36/564613336.db2.gz SOBIQZQECDTHKM-VHSXEESVSA-N 0 1 388.270 2.663 20 0 GFADMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)OCC(=O)N2 ZINC000485410495 564614197 /nfs/dbraw/zinc/61/41/97/564614197.db2.gz HDUULSHGFNYTBJ-UHFFFAOYSA-N 0 1 386.788 2.619 20 0 GFADMN O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000572995842 564619127 /nfs/dbraw/zinc/61/91/27/564619127.db2.gz VGBUGDVIYCSXFW-SKDRFNHKSA-N 0 1 394.298 2.913 20 0 GFADMN Cc1cc2c(o1)c(C(=O)NCCN1CCC(O)CC1)ccc2Br ZINC000456588140 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/nfs/dbraw/zinc/03/09/82/565030982.db2.gz RUPSJFXDGYJVQL-GFCCVEGCSA-N 0 1 385.249 2.985 20 0 GFADMN CCn1cc(Br)c(=O)c(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000503925781 565031236 /nfs/dbraw/zinc/03/12/36/565031236.db2.gz DHHJZYLMXRMIKG-UHFFFAOYSA-N 0 1 375.226 2.688 20 0 GFADMN O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(Cc2cc3c(cc2Br)OCCO3)C1 ZINC000562543384 565032163 /nfs/dbraw/zinc/03/21/63/565032163.db2.gz LKHRXNNFFUEQMM-XNRPHZJLSA-N 0 1 398.297 2.582 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000536198732 565032232 /nfs/dbraw/zinc/03/22/32/565032232.db2.gz QKRPKHANFFKVBR-UHFFFAOYSA-N 0 1 389.882 2.861 20 0 GFADMN O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1C[C@H](O)Cc2ccccc21 ZINC000562603724 565035552 /nfs/dbraw/zinc/03/55/52/565035552.db2.gz WXJMPCLGLXFGKO-CYBMUJFWSA-N 0 1 399.244 2.854 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)COc3c(Cl)cccc3Cl)cc21 ZINC000536372156 565036033 /nfs/dbraw/zinc/03/60/33/565036033.db2.gz VUJBUHUXVBLYFM-UHFFFAOYSA-N 0 1 379.203 2.986 20 0 GFADMN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(Br)c1O ZINC000536686457 565045061 /nfs/dbraw/zinc/04/50/61/565045061.db2.gz NFFIXJUCQMKRKO-NSHDSACASA-N 0 1 387.299 2.585 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](CCO)C2CCCCC2)sc1Br ZINC000536684379 565045278 /nfs/dbraw/zinc/04/52/78/565045278.db2.gz WNPKXLKPEIJOFO-NSHDSACASA-N 0 1 397.360 2.824 20 0 GFADMN FC(F)(F)COCCCNCc1ncc(I)s1 ZINC000562853259 565045627 /nfs/dbraw/zinc/04/56/27/565045627.db2.gz YRSQEVOFVPFGLX-UHFFFAOYSA-N 0 1 380.173 2.806 20 0 GFADMN C[C@@H]1[C@@H](C)N(CC(=O)Nc2c(F)cc(F)cc2Br)CCN1C ZINC000536740626 565046756 /nfs/dbraw/zinc/04/67/56/565046756.db2.gz DUIKONRIXTWXSA-NXEZZACHSA-N 0 1 376.245 2.690 20 0 GFADMN O=C(CNC(=O)c1ccsc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000470508537 565048049 /nfs/dbraw/zinc/04/80/49/565048049.db2.gz DUPIEKYAXOIJNM-UHFFFAOYSA-N 0 1 379.239 2.755 20 0 GFADMN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@H]1CS(=O)(=O)CCO1 ZINC000536841958 565048149 /nfs/dbraw/zinc/04/81/49/565048149.db2.gz ZIKWYMREBRNGRY-YPMHNXCESA-N 0 1 384.498 2.722 20 0 GFADMN COc1ncc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000537076981 565052669 /nfs/dbraw/zinc/05/26/69/565052669.db2.gz YTSNWQRQNDDJOK-GFCCVEGCSA-N 0 1 383.901 2.845 20 0 GFADMN COc1ncc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000537076982 565052682 /nfs/dbraw/zinc/05/26/82/565052682.db2.gz YTSNWQRQNDDJOK-LBPRGKRZSA-N 0 1 383.901 2.845 20 0 GFADMN Cc1cc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)s1 ZINC000537508924 565058960 /nfs/dbraw/zinc/05/89/60/565058960.db2.gz DLXZRGFBUITMNU-UHFFFAOYSA-N 0 1 386.564 2.737 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 ZINC000537655202 565060779 /nfs/dbraw/zinc/06/07/79/565060779.db2.gz PRNXDFHXTGOAOA-UHFFFAOYSA-N 0 1 392.767 2.924 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCN1C ZINC000537815001 565063672 /nfs/dbraw/zinc/06/36/72/565063672.db2.gz DZGWGNKKMXWIPG-DYEKYZERSA-N 0 1 384.307 2.897 20 0 GFADMN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(Br)c1O ZINC000537917486 565064479 /nfs/dbraw/zinc/06/44/79/565064479.db2.gz RFJGNUUJQFTGAL-AWEZNQCLSA-N 0 1 394.269 2.719 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000635808856 565076322 /nfs/dbraw/zinc/07/63/22/565076322.db2.gz ZZUWSWPAOZHXFS-ZDUSSCGKSA-N 0 1 382.237 2.788 20 0 GFADMN O=S(=O)(c1ccccc1O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000657138019 565076467 /nfs/dbraw/zinc/07/64/67/565076467.db2.gz FVPVJTQTNLBYPX-AWEZNQCLSA-N 0 1 398.278 2.917 20 0 GFADMN O=C(CN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)NCC(F)F ZINC000684611546 565077047 /nfs/dbraw/zinc/07/70/47/565077047.db2.gz HDOYIXUXCBHAKX-DOMZBBRYSA-N 0 1 377.229 2.640 20 0 GFADMN CN(C)Cc1ccc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc1Br ZINC000613841197 565083287 /nfs/dbraw/zinc/08/32/87/565083287.db2.gz GDWNRITUJNISKV-LBPRGKRZSA-N 0 1 378.274 2.687 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCCC[C@H]1Cc1ccccc1Br ZINC000635986446 565086190 /nfs/dbraw/zinc/08/61/90/565086190.db2.gz DXKXTDYBZNCXCV-AWEZNQCLSA-N 0 1 392.301 2.909 20 0 GFADMN CCS(=O)(=O)c1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000584715743 565093409 /nfs/dbraw/zinc/09/34/09/565093409.db2.gz BLMGYYZWSNTGRV-CYBMUJFWSA-N 0 1 389.926 2.725 20 0 GFADMN Brc1ccc(CNCc2cnn3c2CCC3)c(N2CCOCC2)c1 ZINC000657402919 565099291 /nfs/dbraw/zinc/09/92/91/565099291.db2.gz LPBLXOHOKDPZDP-UHFFFAOYSA-N 0 1 391.313 2.718 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cscc2Br)C1 ZINC000685411355 565105456 /nfs/dbraw/zinc/10/54/56/565105456.db2.gz QNKRKBUUUMLMPL-NWDGAFQWSA-N 0 1 375.332 2.874 20 0 GFADMN CO[C@@H](CNCc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000657540608 565107288 /nfs/dbraw/zinc/10/72/88/565107288.db2.gz IRJCAUGFNIDGIO-ZANVPECISA-N 0 1 394.107 2.748 20 0 GFADMN Cc1ccsc1S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000685510449 565109650 /nfs/dbraw/zinc/10/96/50/565109650.db2.gz MQHVODGNCDORSI-MRXNPFEDSA-N 0 1 388.599 2.939 20 0 GFADMN C[C@H](CC(=O)NC[C@@H]1CN2CCN1CCC2)c1ccc(F)c(Br)c1 ZINC000614502910 565116006 /nfs/dbraw/zinc/11/60/06/565116006.db2.gz DTZHBAYMXLHLAN-UKRRQHHQSA-N 0 1 398.320 2.588 20 0 GFADMN CN1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccc(Br)cc21 ZINC000614719303 565129080 /nfs/dbraw/zinc/12/90/80/565129080.db2.gz WMEHTXGCBXIMRT-LLVKDONJSA-N 0 1 375.270 2.760 20 0 GFADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(OCC(F)F)c1 ZINC000685903069 565130496 /nfs/dbraw/zinc/13/04/96/565130496.db2.gz DVOHDWSXQYNCKP-UHFFFAOYSA-N 0 1 390.795 2.884 20 0 GFADMN Cc1cc2cccnc2c(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000614769056 565132407 /nfs/dbraw/zinc/13/24/07/565132407.db2.gz AWYTZMRCDMPTQO-UHFFFAOYSA-N 0 1 376.459 2.748 20 0 GFADMN COc1cc(Br)c(CN2CCN(C[C@H]3CCCO3)CC2)cc1OC ZINC000588881318 565142825 /nfs/dbraw/zinc/14/28/25/565142825.db2.gz KEZJZJRGVRATFP-OAHLLOKOSA-N 0 1 399.329 2.763 20 0 GFADMN COc1ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)cc1Br ZINC000615092486 565145441 /nfs/dbraw/zinc/14/54/41/565145441.db2.gz XBFLRNPPUWCBGS-CYBMUJFWSA-N 0 1 397.313 2.783 20 0 GFADMN C[C@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc(Cl)cn1 ZINC000658091761 565148858 /nfs/dbraw/zinc/14/88/58/565148858.db2.gz HTRDSCRXXFFQPG-JTQLQIEISA-N 0 1 383.677 2.973 20 0 GFADMN CN1C[C@H]2CCN(C(=O)c3cc(-c4cccc(Br)c4)no3)[C@H]2C1 ZINC000615182102 565149554 /nfs/dbraw/zinc/14/95/54/565149554.db2.gz GDWXIDSHCUNXGQ-DOMZBBRYSA-N 0 1 376.254 2.880 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1Br ZINC000658127066 565151781 /nfs/dbraw/zinc/15/17/81/565151781.db2.gz UKVBIRODLIYIBG-ZDUSSCGKSA-N 0 1 396.329 2.993 20 0 GFADMN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)cc1Br ZINC000658122371 565151897 /nfs/dbraw/zinc/15/18/97/565151897.db2.gz FJQRNLGGJYZNAI-CYBMUJFWSA-N 0 1 382.302 2.685 20 0 GFADMN OCCO[C@]1(CN[C@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143918 565153042 /nfs/dbraw/zinc/15/30/42/565153042.db2.gz JOMOAVPHDVKSRY-ROUUACIJSA-N 0 1 396.281 2.889 20 0 GFADMN O=S1(=O)CCC[C@H](N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000658186842 565154836 /nfs/dbraw/zinc/15/48/36/565154836.db2.gz CULYPVGZUQCVFT-GXTWGEPZSA-N 0 1 376.341 2.904 20 0 GFADMN COCCCN(CCO)C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000637474532 565158774 /nfs/dbraw/zinc/15/87/74/565158774.db2.gz PDPBWLRKLKMXNR-MRXNPFEDSA-N 0 1 392.327 2.637 20 0 GFADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)s1 ZINC000589429919 565162368 /nfs/dbraw/zinc/16/23/68/565162368.db2.gz JJSGUMFYTKFMRP-UHFFFAOYSA-N 0 1 389.842 2.593 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)n[nH]1 ZINC000637650106 565166586 /nfs/dbraw/zinc/16/65/86/565166586.db2.gz IHVFYWFMYAFYTM-PHDZJONKSA-N 0 1 390.285 2.828 20 0 GFADMN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000658408735 565168372 /nfs/dbraw/zinc/16/83/72/565168372.db2.gz NJOKPWPDDMTYOW-LURJTMIESA-N 0 1 376.103 2.642 20 0 GFADMN CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000615660626 565169544 /nfs/dbraw/zinc/16/95/44/565169544.db2.gz XNRNYLKPRSCXJD-OAHLLOKOSA-N 0 1 399.329 2.570 20 0 GFADMN COc1ccc(OCCN(C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000637869573 565174500 /nfs/dbraw/zinc/17/45/00/565174500.db2.gz QTDLHXIMFPEXIO-UHFFFAOYSA-N 0 1 384.885 2.507 20 0 GFADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000615818017 565177118 /nfs/dbraw/zinc/17/71/18/565177118.db2.gz WAIIUTPRYFKECE-LLVKDONJSA-N 0 1 383.901 2.951 20 0 GFADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000615814138 565177377 /nfs/dbraw/zinc/17/73/77/565177377.db2.gz SSPVGJQXNQWIRR-BTDLBPIBSA-N 0 1 378.885 2.801 20 0 GFADMN COC(=O)c1cccc(Br)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000590107632 565177510 /nfs/dbraw/zinc/17/75/10/565177510.db2.gz PHAVJSCSNVDDSM-CQSZACIVSA-N 0 1 397.313 2.532 20 0 GFADMN CN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000637966577 565179262 /nfs/dbraw/zinc/17/92/62/565179262.db2.gz AGVFLGKTAICFMO-QGZVFWFLSA-N 0 1 380.897 2.733 20 0 GFADMN CC[C@@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000615983792 565183759 /nfs/dbraw/zinc/18/37/59/565183759.db2.gz DVJRKMRFXSLNJY-XYPHTWIQSA-N 0 1 396.329 2.864 20 0 GFADMN Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1Br ZINC000616009668 565184362 /nfs/dbraw/zinc/18/43/62/565184362.db2.gz YRGUXXKCUPMHBT-HNNXBMFYSA-N 0 1 391.313 2.796 20 0 GFADMN Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1Br ZINC000616009668 565184367 /nfs/dbraw/zinc/18/43/67/565184367.db2.gz YRGUXXKCUPMHBT-HNNXBMFYSA-N 0 1 391.313 2.796 20 0 GFADMN O=C(C[C@@H]1COCCN1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586433 565202662 /nfs/dbraw/zinc/20/26/62/565202662.db2.gz SSFHUFKUELLURD-OCCSQVGLSA-N 0 1 385.327 2.871 20 0 GFADMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(CCO)C(C)(C)C1 ZINC000616780631 565209221 /nfs/dbraw/zinc/20/92/21/565209221.db2.gz IBEFIWPTBXWYSM-OAHLLOKOSA-N 0 1 375.296 2.596 20 0 GFADMN CC(C)(NCc1cnn2cc(Br)cnc12)C(=O)NCC1CCCC1 ZINC000638790520 565211701 /nfs/dbraw/zinc/21/17/01/565211701.db2.gz VVKWGNASMNDXMM-UHFFFAOYSA-N 0 1 394.317 2.666 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000616927374 565217350 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Nc1c(Cl)cc(Cl)cc1CNC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000639280766 565237932 /nfs/dbraw/zinc/23/79/32/565237932.db2.gz CBDPBTOTPCJTLJ-GFCCVEGCSA-N 0 1 387.288 2.900 20 0 GFADMN Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CN(C)C)c1Br ZINC000660008390 565238122 /nfs/dbraw/zinc/23/81/22/565238122.db2.gz ANADPPOFXHHDFG-ZDUSSCGKSA-N 0 1 375.332 2.862 20 0 GFADMN CCc1csc(CC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000639299484 565238153 /nfs/dbraw/zinc/23/81/53/565238153.db2.gz PWIWJIOBUZABQP-UHFFFAOYSA-N 0 1 379.551 2.808 20 0 GFADMN COCCN(Cc1cc(Br)cs1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639634621 565251972 /nfs/dbraw/zinc/25/19/72/565251972.db2.gz SJHFCXZZCTXCDV-GOEBONIOSA-N 0 1 392.359 2.871 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000592092808 565255762 /nfs/dbraw/zinc/25/57/62/565255762.db2.gz CABNTJPSSSYTBH-MRXNPFEDSA-N 0 1 381.314 2.708 20 0 GFADMN CC(C)(N)c1noc(COc2cccc(F)c2I)n1 ZINC000592162129 565262324 /nfs/dbraw/zinc/26/23/24/565262324.db2.gz LPAVESOTLXHXAM-UHFFFAOYSA-N 0 1 377.157 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CCOC(=O)c1nc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c[nH]1 ZINC000618907069 565321293 /nfs/dbraw/zinc/32/12/93/565321293.db2.gz MOUVKMLJVCUISY-UHFFFAOYSA-N 0 1 377.344 2.547 20 0 GFADMN CCOC(=O)c1nc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000618907046 565321764 /nfs/dbraw/zinc/32/17/64/565321764.db2.gz JGNZOTVWJXVRAT-UHFFFAOYSA-N 0 1 378.237 2.835 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000640781172 565326614 /nfs/dbraw/zinc/32/66/14/565326614.db2.gz FQFZHBAYHUJZTK-DFKRKDTASA-N 0 1 384.267 2.963 20 0 GFADMN O=C1[C@@H](N2CC[C@H]3NC(=O)CC[C@@H]3C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661596202 565330202 /nfs/dbraw/zinc/33/02/02/565330202.db2.gz AZLJOQQRPFMASG-LYRGGWFBSA-N 0 1 382.291 2.699 20 0 GFADMN C[C@@H]1[C@@H](C)N(c2ncnc3cc(I)sc32)CCN1C ZINC000593469165 565334291 /nfs/dbraw/zinc/33/42/91/565334291.db2.gz IIUOZNJOQBJYKY-RKDXNWHRSA-N 0 1 388.278 2.825 20 0 GFADMN CNCc1cn(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)nn1 ZINC000640961955 565339799 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CC(C)(C)[C@H](O)Cc1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000641162770 565351354 /nfs/dbraw/zinc/35/13/54/565351354.db2.gz TWVPNIHANAZMIY-CQSZACIVSA-N 0 1 378.274 2.915 20 0 GFADMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000662219324 565355611 /nfs/dbraw/zinc/35/56/11/565355611.db2.gz RWVDXQTZKFSOHC-SJKOYZFVSA-N 0 1 393.237 2.637 20 0 GFADMN CN[C@@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367779 565362710 /nfs/dbraw/zinc/36/27/10/565362710.db2.gz GLKFNYFDMYMUJC-IIYDPXPESA-N 0 1 388.339 2.869 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000593897617 565366529 /nfs/dbraw/zinc/36/65/29/565366529.db2.gz GLFAJIRMNUMDOS-IOASZLSFSA-N 0 1 384.307 2.553 20 0 GFADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)COC(C)C ZINC000662445303 565368829 /nfs/dbraw/zinc/36/88/29/565368829.db2.gz RVAKJEORENEBTL-AWEZNQCLSA-N 0 1 390.311 2.923 20 0 GFADMN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000594037199 565372862 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COC(=O)c1cc(F)cc(NS(=O)(=O)C[C@@H](OC)C2CCCC2)c1F ZINC000594706532 565409637 /nfs/dbraw/zinc/40/96/37/565409637.db2.gz STUIWOVZGVRMJQ-CQSZACIVSA-N 0 1 377.409 2.698 20 0 GFADMN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000594701242 565409695 /nfs/dbraw/zinc/40/96/95/565409695.db2.gz XTDAPFWXVDIDRX-ZCFIWIBFSA-N 0 1 399.334 2.929 20 0 GFADMN NC(=O)[C@H](NC[C@H]1CCN1Cc1ccccc1)c1cccc(Br)c1 ZINC000663311704 565411978 /nfs/dbraw/zinc/41/19/78/565411978.db2.gz POYJUWRCRGWQLI-QZTJIDSGSA-N 0 1 388.309 2.840 20 0 GFADMN O=C([O-])C12CC(C1)C[N@H+]2CCCOc1cccc(I)c1 ZINC000594734148 565413167 /nfs/dbraw/zinc/41/31/67/565413167.db2.gz QPCPKURKUWLWOS-UHFFFAOYSA-N 0 1 387.217 2.609 20 0 GFADMN CC1CCN(CCNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000642515866 565414147 /nfs/dbraw/zinc/41/41/47/565414147.db2.gz SFJOFYICMGQTRB-UHFFFAOYSA-N 0 1 382.860 2.952 20 0 GFADMN C[C@H](CCc1ccc(Br)cc1)NC(=O)NCCCc1nc[nH]n1 ZINC000663782318 565435092 /nfs/dbraw/zinc/43/50/92/565435092.db2.gz JVGUPOLIDRBOMY-GFCCVEGCSA-N 0 1 380.290 2.820 20 0 GFADMN COc1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(Br)c1O ZINC000594959014 565438101 /nfs/dbraw/zinc/43/81/01/565438101.db2.gz BZOSHWDAGOLARD-ZSMADZGOSA-N 0 1 376.316 2.943 20 0 GFADMN CC(C)(C)n1cc(CNCCc2ccc(I)cc2)nn1 ZINC000594993990 565440113 /nfs/dbraw/zinc/44/01/13/565440113.db2.gz BIBJQNXPCCEKKQ-UHFFFAOYSA-N 0 1 384.265 2.970 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000621817489 565443708 /nfs/dbraw/zinc/44/37/08/565443708.db2.gz IUZYGLVHCYIZFC-UHFFFAOYSA-N 0 1 389.882 2.694 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC[C@@H]2C[C@@H]2C1 ZINC000664201136 565455203 /nfs/dbraw/zinc/45/52/03/565455203.db2.gz IYGUCECIDUSWNB-VXGBXAGGSA-N 0 1 376.258 2.786 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@H]2C[C@@H]2C1 ZINC000664201136 565455208 /nfs/dbraw/zinc/45/52/08/565455208.db2.gz IYGUCECIDUSWNB-VXGBXAGGSA-N 0 1 376.258 2.786 20 0 GFADMN O[C@@]1(C(F)(F)F)CC[C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000644422712 565476600 /nfs/dbraw/zinc/47/66/00/565476600.db2.gz NHXDMOSHYYNNIB-YGRLFVJLSA-N 0 1 378.757 2.995 20 0 GFADMN COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000595476428 565478659 /nfs/dbraw/zinc/47/86/59/565478659.db2.gz RCOUOOYJNINBPJ-GWCFXTLKSA-N 0 1 396.241 2.631 20 0 GFADMN COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000595476428 565478663 /nfs/dbraw/zinc/47/86/63/565478663.db2.gz RCOUOOYJNINBPJ-GWCFXTLKSA-N 0 1 396.241 2.631 20 0 GFADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)cc2c1OCCO2 ZINC000622889392 565480008 /nfs/dbraw/zinc/48/00/08/565480008.db2.gz JDKHCBCCDGGDRZ-IJLUTSLNSA-N 0 1 383.286 2.773 20 0 GFADMN C[C@@H]1[C@@H](NC(=O)c2cc(Br)c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623027282 565490498 /nfs/dbraw/zinc/49/04/98/565490498.db2.gz DTVWRLQOTGUBQK-WBMJQRKESA-N 0 1 390.281 2.943 20 0 GFADMN COc1cc(CNCc2cc(C)c(Br)cn2)ccc1OCCO ZINC000623364886 565505888 /nfs/dbraw/zinc/50/58/88/565505888.db2.gz YVIGWIATRAMWMT-UHFFFAOYSA-N 0 1 381.270 2.822 20 0 GFADMN 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384.263 2.753 20 0 GFADMN Cc1c2cc(Br)cc(C)c2oc1C(=O)NCCN1CC[C@@H](O)C1 ZINC000629172190 565827166 /nfs/dbraw/zinc/82/71/66/565827166.db2.gz VLVLJNVNYOUOLI-CYBMUJFWSA-N 0 1 381.270 2.609 20 0 GFADMN O=C(CCc1ccc(Br)cc1F)NCCN1CCSCC1 ZINC000602182362 565828819 /nfs/dbraw/zinc/82/88/19/565828819.db2.gz JHGGYLRPAZAXMO-UHFFFAOYSA-N 0 1 375.307 2.686 20 0 GFADMN COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC000602184860 565828860 /nfs/dbraw/zinc/82/88/60/565828860.db2.gz IHLGLRINYNXDHE-HTQZYQBOSA-N 0 1 396.266 2.666 20 0 GFADMN Cc1ccc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1Br ZINC000650791298 565835339 /nfs/dbraw/zinc/83/53/39/565835339.db2.gz FAVMCNVUGYQNGA-CQSZACIVSA-N 0 1 395.297 2.655 20 0 GFADMN COCCOc1c(Cl)cc(NS(=O)(=O)c2cnc(C)n2C)cc1Cl ZINC000629291641 565836180 /nfs/dbraw/zinc/83/61/80/565836180.db2.gz KFBRTSXAEMJVBJ-UHFFFAOYSA-N 0 1 394.280 2.861 20 0 GFADMN COCCOc1c(Cl)cc(S(=O)(=O)NCc2cc(C)[nH]n2)cc1Cl ZINC000673563918 565840913 /nfs/dbraw/zinc/84/09/13/565840913.db2.gz WPSOCELOCIMTIB-UHFFFAOYSA-N 0 1 394.280 2.529 20 0 GFADMN CC(C)c1nc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c[nH]1 ZINC000673821176 565848446 /nfs/dbraw/zinc/84/84/46/565848446.db2.gz OJLNDSPPGGKSNN-CQSZACIVSA-N 0 1 382.555 2.785 20 0 GFADMN COC(=O)c1cc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)on1 ZINC000602533843 565853801 /nfs/dbraw/zinc/85/38/01/565853801.db2.gz FKYOUDRFFPVTGK-GFCCVEGCSA-N 0 1 380.242 2.592 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)c2ccccc12 ZINC000673983980 565855232 /nfs/dbraw/zinc/85/52/32/565855232.db2.gz XRKRZRKAELBMDV-GOSISDBHSA-N 0 1 380.535 2.564 20 0 GFADMN C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC[C@@H]1C(=O)[O-] ZINC000629497305 565856380 /nfs/dbraw/zinc/85/63/80/565856380.db2.gz BZRXEEDZCBIHOL-RIEGTJTDSA-N 0 1 381.270 2.745 20 0 GFADMN CC[C@H](C[NH+]1CCCC1)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000674346207 565870178 /nfs/dbraw/zinc/87/01/78/565870178.db2.gz JQZWJKUHEODCCL-SNVBAGLBSA-N 0 1 397.285 2.880 20 0 GFADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000674346240 565870481 /nfs/dbraw/zinc/87/04/81/565870481.db2.gz KPMAWCSONFGWBX-ZDUSSCGKSA-N 0 1 391.331 2.610 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651576309 565875439 /nfs/dbraw/zinc/87/54/39/565875439.db2.gz ARSPVSASWKTLGV-GHMZBOCLSA-N 0 1 381.361 2.922 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000651576309 565875440 /nfs/dbraw/zinc/87/54/40/565875440.db2.gz ARSPVSASWKTLGV-GHMZBOCLSA-N 0 1 381.361 2.922 20 0 GFADMN O[C@@H](CN1CCC[C@H]1c1ccccc1Br)CC1(O)CCOCC1 ZINC000630036645 565879547 /nfs/dbraw/zinc/87/95/47/565879547.db2.gz GRCOGXFQTYRSEE-PBHICJAKSA-N 0 1 384.314 2.879 20 0 GFADMN O=C(c1nscc1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000651618750 565880151 /nfs/dbraw/zinc/88/01/51/565880151.db2.gz VHZAKKJYWMKJHW-SECBINFHSA-N 0 1 382.287 2.921 20 0 GFADMN O[C@@H](CN1CCC[C@H]1c1cccc(Br)c1)CC1(O)CCOCC1 ZINC000630039309 565881312 /nfs/dbraw/zinc/88/13/12/565881312.db2.gz XFBSKIBYVWGPHE-SJORKVTESA-N 0 1 384.314 2.879 20 0 GFADMN C[C@H]1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)CC[N@H+]1C ZINC000630125990 565883306 /nfs/dbraw/zinc/88/33/06/565883306.db2.gz ZKBDJGICNNESDZ-CORIIIEPSA-N 0 1 383.286 2.811 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)sc1C ZINC000674891105 565887049 /nfs/dbraw/zinc/88/70/49/565887049.db2.gz NEHWJOWYJSIVIV-LLVKDONJSA-N 0 1 381.361 2.972 20 0 GFADMN CCCC[C@H](C(=O)OC)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000603202818 565889586 /nfs/dbraw/zinc/88/95/86/565889586.db2.gz YNVMACOFQTZSCJ-HUUCEWRRSA-N 0 1 381.274 2.993 20 0 GFADMN C[C@@H](C(=O)OC(C)(C)C)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000603201158 565889608 /nfs/dbraw/zinc/88/96/08/565889608.db2.gz FZRKQHUOSRKTNV-HZMBPMFUSA-N 0 1 381.274 2.991 20 0 GFADMN CCC[C@H](C(=O)OCC)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000603202288 565890242 /nfs/dbraw/zinc/89/02/42/565890242.db2.gz SOXJDMAMMHVOSE-CABCVRRESA-N 0 1 381.274 2.993 20 0 GFADMN O=C(CCCc1cccc(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000675473456 565904670 /nfs/dbraw/zinc/90/46/70/565904670.db2.gz TUXWHMDWKAOPKS-QGZVFWFLSA-N 0 1 395.341 2.953 20 0 GFADMN NCc1nccn1CCOc1c(Br)cccc1Br ZINC000630584102 565910389 /nfs/dbraw/zinc/91/03/89/565910389.db2.gz QIEODFHXHLFESP-UHFFFAOYSA-N 0 1 375.064 2.946 20 0 GFADMN O=C(Nc1cccc(Cl)c1Cl)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000652016455 565912155 /nfs/dbraw/zinc/91/21/55/565912155.db2.gz DNPMXDCCVPKVHK-GFCCVEGCSA-N 0 1 385.295 2.812 20 0 GFADMN C[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)N1CCCCCC1 ZINC000603829250 565917103 /nfs/dbraw/zinc/91/71/03/565917103.db2.gz QDTBZDOPVHKEEC-ZDUSSCGKSA-N 0 1 382.302 2.768 20 0 GFADMN CN(C)Cc1cc(CNC(=O)CCn2cc(Br)cn2)ccc1F ZINC000604342370 565926703 /nfs/dbraw/zinc/92/67/03/565926703.db2.gz HCRZWARDDDKPQJ-UHFFFAOYSA-N 0 1 383.265 2.553 20 0 GFADMN C[C@H](CNCc1cn(C[C@H]2CCOC2)nn1)Oc1cccc(Br)c1 ZINC000631082239 565939603 /nfs/dbraw/zinc/93/96/03/565939603.db2.gz BSHLYGPXFUJPLL-ZIAGYGMSSA-N 0 1 395.301 2.634 20 0 GFADMN COc1cc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc(OC)c1Br ZINC000652828120 565942066 /nfs/dbraw/zinc/94/20/66/565942066.db2.gz HLVTYJNHFJNTRT-UHFFFAOYSA-N 0 1 396.245 2.784 20 0 GFADMN COc1cc(CN[C@H](CO)C[C@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131189 565942525 /nfs/dbraw/zinc/94/25/25/565942525.db2.gz KPYKOQMSQLRCDD-NHYWBVRUSA-N 0 1 378.282 2.844 20 0 GFADMN COc1sc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000676568597 565943063 /nfs/dbraw/zinc/94/30/63/565943063.db2.gz JNRKFCPHVYXQTG-NOZJJQNGSA-N 0 1 399.314 2.536 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605123756 565947005 /nfs/dbraw/zinc/94/70/05/565947005.db2.gz VVUABLMYTQHFQL-GFCCVEGCSA-N 0 1 393.260 2.740 20 0 GFADMN O=C(NC1CCN(Cc2cccnc2)CC1)c1c(F)cncc1Br ZINC000631308129 565953562 /nfs/dbraw/zinc/95/35/62/565953562.db2.gz ZENIHFFOYIPINI-UHFFFAOYSA-N 0 1 393.260 2.773 20 0 GFADMN [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(Br)ccc3[O-])C2)C1 ZINC000653183302 565957365 /nfs/dbraw/zinc/95/73/65/565957365.db2.gz CGBDMJYNZCSRDB-GHJWDPDVSA-N 0 1 383.286 2.513 20 0 GFADMN Cn1cnc(=NC(=O)N(Cc2ccccc2Br)C2CCCC2)[nH]1 ZINC000653293465 565961633 /nfs/dbraw/zinc/96/16/33/565961633.db2.gz ODDNBZJHAFPATO-UHFFFAOYSA-N 0 1 378.274 2.976 20 0 GFADMN CCN1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H]1C ZINC000677193571 565963792 /nfs/dbraw/zinc/96/37/92/565963792.db2.gz BOGZPHFAPURJIB-AWEZNQCLSA-N 0 1 379.551 2.740 20 0 GFADMN C[C@@H](c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000677233225 565964994 /nfs/dbraw/zinc/96/49/94/565964994.db2.gz FDDKNZBRKCEVGR-ZDUSSCGKSA-N 0 1 381.885 2.929 20 0 GFADMN Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H](c1nnc[nH]1)c1cccnc1 ZINC000631703523 565968764 /nfs/dbraw/zinc/96/87/64/565968764.db2.gz UTHZITUUPMYOHX-QZWWFDLISA-N 0 1 382.265 2.980 20 0 GFADMN COc1ccc(Br)c2[nH]c(C(=O)N[C@H]3CCc4nc[nH]c4C3)cc21 ZINC000677921544 565988383 /nfs/dbraw/zinc/98/83/83/565988383.db2.gz GGBGGORSTORQHO-VIFPVBQESA-N 0 1 389.253 2.949 20 0 GFADMN O=C(CCc1ccc(Br)cc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000607928123 565994043 /nfs/dbraw/zinc/99/40/43/565994043.db2.gz YFBWQBWGPMDXNI-AWEZNQCLSA-N 0 1 399.304 2.702 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000608030355 565998806 /nfs/dbraw/zinc/99/88/06/565998806.db2.gz DNCZJQYUDGGKQW-AAEUAGOBSA-N 0 1 391.331 2.609 20 0 GFADMN COCCNC(=O)C1CCN(Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000678132316 566001361 /nfs/dbraw/zinc/00/13/61/566001361.db2.gz QGQJGRNEVBBIJE-UHFFFAOYSA-N 0 1 376.831 2.916 20 0 GFADMN C[C@H]1C[C@@H](NCc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077118 566003174 /nfs/dbraw/zinc/00/31/74/566003174.db2.gz VAQDQRUJEWYHMH-ZUZCIYMTSA-N 0 1 381.249 2.605 20 0 GFADMN CN(C)c1nc(CNCc2c(Cl)cccc2N2CCN(C)CC2)cs1 ZINC000678360425 566008644 /nfs/dbraw/zinc/00/86/44/566008644.db2.gz MPARCEDAZTWFPB-UHFFFAOYSA-N 0 1 379.961 2.904 20 0 GFADMN CO[C@@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1ccccc1Br ZINC000654406724 566008721 /nfs/dbraw/zinc/00/87/21/566008721.db2.gz DYKTUQDQHWNBPR-RHSMWYFYSA-N 0 1 399.329 2.610 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)NCc1cc(F)ccc1Br ZINC000654395000 566009091 /nfs/dbraw/zinc/00/90/91/566009091.db2.gz QYPIZUXIDQNYNU-LBPRGKRZSA-N 0 1 398.236 2.557 20 0 GFADMN CO[C@H](C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000654426618 566009832 /nfs/dbraw/zinc/00/98/32/566009832.db2.gz PSWNOAIWOWEITG-VBQJREDUSA-N 0 1 399.329 2.752 20 0 GFADMN O=C1[C@H](NCc2ccc(Cl)c(Br)c2)CCN1C1CCOCC1 ZINC000678956772 566025786 /nfs/dbraw/zinc/02/57/86/566025786.db2.gz BLZFFTUORUMPDT-OAHLLOKOSA-N 0 1 387.705 2.972 20 0 GFADMN Cc1cc(C[C@@H](C)NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000632394779 566027761 /nfs/dbraw/zinc/02/77/61/566027761.db2.gz ZUJWADDEMNSMQH-LLVKDONJSA-N 0 1 377.388 2.667 20 0 GFADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cccc(Br)c2F)n[nH]1 ZINC000632396023 566028568 /nfs/dbraw/zinc/02/85/68/566028568.db2.gz ZUSVQIDRERCOQU-SECBINFHSA-N 0 1 376.251 2.529 20 0 GFADMN CN1CCC[C@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000609077058 566030064 /nfs/dbraw/zinc/03/00/64/566030064.db2.gz VUKDCQSXJJFFCM-JTQLQIEISA-N 0 1 378.641 2.769 20 0 GFADMN CC(C)(CO)N1CCN(C(=O)CCCOc2ccccc2Br)CC1 ZINC000679317186 566036282 /nfs/dbraw/zinc/03/62/82/566036282.db2.gz IUHFNDJVJKRIRF-UHFFFAOYSA-N 0 1 399.329 2.523 20 0 GFADMN CCN(CC(=O)Nc1ccccc1I)C[C@@H]1CCOC1 ZINC000609631769 566048099 /nfs/dbraw/zinc/04/80/99/566048099.db2.gz WACCZDCJMZRTKM-LBPRGKRZSA-N 0 1 388.249 2.588 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655232350 566048348 /nfs/dbraw/zinc/04/83/48/566048348.db2.gz SFURXNKIPLMUAU-BXUZGUMPSA-N 0 1 393.285 2.914 20 0 GFADMN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298685 566051012 /nfs/dbraw/zinc/05/10/12/566051012.db2.gz CRZVLUNMVZSRDX-WCFLWFBJSA-N 0 1 375.321 2.751 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)NCCN1CCCCC1 ZINC000655477433 566058168 /nfs/dbraw/zinc/05/81/68/566058168.db2.gz KRDJDHLQUYVHHR-UHFFFAOYSA-N 0 1 375.332 2.663 20 0 GFADMN COc1ccnc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)CC2)c1 ZINC000655501499 566061245 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O=S(=O)(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1Br ZINC000655669278 566081133 /nfs/dbraw/zinc/08/11/33/566081133.db2.gz OEAILTPDXLSMJH-UONOGXRCSA-N 0 1 391.306 2.883 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CNCC1(S(C)(=O)=O)CC1 ZINC000655769104 566088196 /nfs/dbraw/zinc/08/81/96/566088196.db2.gz VIERKZRIGUWCGD-UHFFFAOYSA-N 0 1 398.326 2.610 20 0 GFADMN CCN1C[C@@H](NCc2cn(-c3ccccc3Br)nc2C)CC1=O ZINC000655778154 566088562 /nfs/dbraw/zinc/08/85/62/566088562.db2.gz DLEYNLQCJJOASQ-AWEZNQCLSA-N 0 1 377.286 2.654 20 0 GFADMN O=S1(=O)CC[C@@H](NC2CCN(CC(F)(F)F)CC2)c2cc(F)ccc21 ZINC000681392733 566105254 /nfs/dbraw/zinc/10/52/54/566105254.db2.gz QLQNCMXFKPYMCK-CQSZACIVSA-N 0 1 380.407 2.661 20 0 GFADMN CC1(C)CN(C(=O)NC/C=C/c2ccc(Br)cc2)CCN1CCO ZINC000656140776 566105597 /nfs/dbraw/zinc/10/55/97/566105597.db2.gz WEJGTQBXDZZSII-ONEGZZNKSA-N 0 1 396.329 2.560 20 0 GFADMN Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CCc1ccc(Cl)s1 ZINC000633531452 566108397 /nfs/dbraw/zinc/10/83/97/566108397.db2.gz 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CCC[C@@H](C)c1cc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)n[nH]1 ZINC000821014537 599445078 /nfs/dbraw/zinc/44/50/78/599445078.db2.gz INOZTAJVYBWRFQ-MRVPVSSYSA-N 0 1 388.457 2.568 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000819939538 599451224 /nfs/dbraw/zinc/45/12/24/599451224.db2.gz FZVGDPLFOAJHRH-JSGCOSHPSA-N 0 1 376.461 2.633 20 0 GFADMN COc1cccc(-c2n[nH]cc2CNCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC000821854504 599457115 /nfs/dbraw/zinc/45/71/15/599457115.db2.gz LCXYLXGGLCPYLG-UHFFFAOYSA-N 0 1 379.399 2.694 20 0 GFADMN CN(CCCc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821600364 599562384 /nfs/dbraw/zinc/56/23/84/599562384.db2.gz JKXHJYZQYGEVCO-UHFFFAOYSA-N 0 1 375.436 2.981 20 0 GFADMN Cc1ccc(C(C)(C)CN(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227731 599583791 /nfs/dbraw/zinc/58/37/91/599583791.db2.gz UBPJVIBMFKAMEK-UHFFFAOYSA-N 0 1 392.507 2.701 20 0 GFADMN COc1ccccc1[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145033 599592104 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GFADMN CN(C(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000830478389 601375712 /nfs/dbraw/zinc/37/57/12/601375712.db2.gz RJBYXVABSSGFPN-HXUWFJFHSA-N 0 1 382.460 2.720 20 0 GFADMN CCN(C[C@H]1CC[N@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1)CC(F)(F)F ZINC000829688312 601378974 /nfs/dbraw/zinc/37/89/74/601378974.db2.gz YWVDVXWOGGAVLN-CYBMUJFWSA-N 0 1 389.418 2.719 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1)CC(F)(F)F ZINC000829688312 601378976 /nfs/dbraw/zinc/37/89/76/601378976.db2.gz YWVDVXWOGGAVLN-CYBMUJFWSA-N 0 1 389.418 2.719 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000830374939 601411564 /nfs/dbraw/zinc/41/15/64/601411564.db2.gz JDLUMXFKCPYFNP-UHFFFAOYSA-N 0 1 396.447 2.507 20 0 GFADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000830369161 601422786 /nfs/dbraw/zinc/42/27/86/601422786.db2.gz KRDHQDSSEASBDU-AWEZNQCLSA-N 0 1 376.457 2.753 20 0 GFADMN C[C@@H](CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000828259570 601489038 /nfs/dbraw/zinc/48/90/38/601489038.db2.gz YKVMBJGKXROAGD-RYUDHWBXSA-N 0 1 393.509 2.641 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832124784 601519073 /nfs/dbraw/zinc/51/90/73/601519073.db2.gz ZUUGFRFVDGQEQY-SLEUVZQESA-N 0 1 389.477 2.798 20 0 GFADMN Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])c2cc1C ZINC000652486385 601544591 /nfs/dbraw/zinc/54/45/91/601544591.db2.gz ZRLLSKOVAOBALH-LAUBAEHRSA-N 0 1 379.460 2.698 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843544 601600711 /nfs/dbraw/zinc/60/07/11/601600711.db2.gz XJGPSLLWIWTING-KGLIPLIRSA-N 0 1 385.468 2.707 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843544 601600715 /nfs/dbraw/zinc/60/07/15/601600715.db2.gz XJGPSLLWIWTING-KGLIPLIRSA-N 0 1 385.468 2.707 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000832914328 601610897 /nfs/dbraw/zinc/61/08/97/601610897.db2.gz BWKKEFNBGYTKIK-IBGZPJMESA-N 0 1 382.460 2.965 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000832914328 601610899 /nfs/dbraw/zinc/61/08/99/601610899.db2.gz BWKKEFNBGYTKIK-IBGZPJMESA-N 0 1 382.460 2.965 20 0 GFADMN C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433501 601635902 /nfs/dbraw/zinc/63/59/02/601635902.db2.gz VPKRNLVUFGUFAL-MDASCCDHSA-N 0 1 394.427 2.763 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000826183325 607524545 /nfs/dbraw/zinc/52/45/45/607524545.db2.gz MFEHUNNYRUZFJS-AWEZNQCLSA-N 0 1 383.456 2.761 20 0 GFADMN COCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000831813224 601729219 /nfs/dbraw/zinc/72/92/19/601729219.db2.gz QNYJYSIFWUHGLV-JOCHJYFZSA-N 0 1 382.460 2.682 20 0 GFADMN O=C(CCOCc1ccccc1)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833103297 601730018 /nfs/dbraw/zinc/73/00/18/601730018.db2.gz UAXNSNIUGCYEMU-HSZRJFAPSA-N 0 1 396.487 2.829 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2scnc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128651 601731653 /nfs/dbraw/zinc/73/16/53/601731653.db2.gz KTEVXINUDUZLFI-QGZVFWFLSA-N 0 1 379.869 2.646 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129030 601733492 /nfs/dbraw/zinc/73/34/92/601733492.db2.gz SMNMEZGQPNGANF-OFNKIYASSA-N 0 1 378.472 2.952 20 0 GFADMN COc1ccc(F)cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000832378368 601740088 /nfs/dbraw/zinc/74/00/88/601740088.db2.gz LAWMQLGNYLYXMZ-OAQYLSRUSA-N 0 1 386.423 2.684 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000825942329 601740423 /nfs/dbraw/zinc/74/04/23/601740423.db2.gz RRVFTRITICEBSA-QFIPXVFZSA-N 0 1 397.475 2.683 20 0 GFADMN COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC(CCC(=O)[O-])CC2)C1=O ZINC000832367599 601788478 /nfs/dbraw/zinc/78/84/78/601788478.db2.gz JJCXMPFUAOKZML-HNNXBMFYSA-N 0 1 394.855 2.557 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000830329027 601840233 /nfs/dbraw/zinc/84/02/33/601840233.db2.gz ZNSSSPJMWPUCNU-LBPRGKRZSA-N 0 1 397.884 2.823 20 0 GFADMN COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000831230916 601845166 /nfs/dbraw/zinc/84/51/66/601845166.db2.gz QZAPOXRVXUFNOS-UHFFFAOYSA-N 0 1 382.482 2.667 20 0 GFADMN CCC[C@@H]1CN(Cc2ccoc2C(=O)OC)CC[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000829265793 601868931 /nfs/dbraw/zinc/86/89/31/601868931.db2.gz AUMCDWNUTRJKQE-MRXNPFEDSA-N 0 1 390.436 2.844 20 0 GFADMN CCC[C@@H]1CN(Cc2ccoc2C(=O)OC)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000829265793 601868935 /nfs/dbraw/zinc/86/89/35/601868935.db2.gz AUMCDWNUTRJKQE-MRXNPFEDSA-N 0 1 390.436 2.844 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000833223413 601890075 /nfs/dbraw/zinc/89/00/75/601890075.db2.gz YSQDQZLUTJRUIX-INIZCTEOSA-N 0 1 399.516 2.676 20 0 GFADMN COc1ccc(OC)c([C@@H](O)C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000832431175 601906952 /nfs/dbraw/zinc/90/69/52/601906952.db2.gz MPESFTJDBDNINS-MAUKXSAKSA-N 0 1 399.365 2.912 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000833286427 601911360 /nfs/dbraw/zinc/91/13/60/601911360.db2.gz RJUIYHBHDGJXJW-UHFFFAOYSA-N 0 1 395.459 2.914 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000827449510 601917261 /nfs/dbraw/zinc/91/72/61/601917261.db2.gz LUSKUIMDQQPQGH-SNVBAGLBSA-N 0 1 376.350 2.646 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2F)CC1 ZINC000678931706 601921061 /nfs/dbraw/zinc/92/10/61/601921061.db2.gz HRCSYMXNJBPMBI-UHFFFAOYSA-N 0 1 385.439 2.596 20 0 GFADMN COc1ccc(OC)c([C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000739929309 601926702 /nfs/dbraw/zinc/92/67/02/601926702.db2.gz HKMVSGCTMSMUSJ-RCCFBDPRSA-N 0 1 378.469 2.734 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000738573373 601928161 /nfs/dbraw/zinc/92/81/61/601928161.db2.gz ICMTZTJMPPREBU-ROUUACIJSA-N 0 1 388.468 2.580 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000738573373 601928163 /nfs/dbraw/zinc/92/81/63/601928163.db2.gz ICMTZTJMPPREBU-ROUUACIJSA-N 0 1 388.468 2.580 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)C1 ZINC000262747408 601932831 /nfs/dbraw/zinc/93/28/31/601932831.db2.gz AQSMDGFTOHERHI-KNQAVFIVSA-N 0 1 396.443 2.569 20 0 GFADMN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(=O)[O-])s1 ZINC000829623835 601937067 /nfs/dbraw/zinc/93/70/67/601937067.db2.gz BVFYCLKTIYAPTD-UHFFFAOYSA-N 0 1 375.450 2.865 20 0 GFADMN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(=O)[O-])s1 ZINC000829623835 601937070 /nfs/dbraw/zinc/93/70/70/601937070.db2.gz BVFYCLKTIYAPTD-UHFFFAOYSA-N 0 1 375.450 2.865 20 0 GFADMN COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739916895 601950428 /nfs/dbraw/zinc/95/04/28/601950428.db2.gz QWZWPNHGKLLPBH-BEFAXECRSA-N 0 1 383.448 2.965 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000740645210 601965166 /nfs/dbraw/zinc/96/51/66/601965166.db2.gz XFLNLDWJPFNLGJ-QGZVFWFLSA-N 0 1 383.448 2.794 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000740645210 601965169 /nfs/dbraw/zinc/96/51/69/601965169.db2.gz XFLNLDWJPFNLGJ-QGZVFWFLSA-N 0 1 383.448 2.794 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740644602 601965321 /nfs/dbraw/zinc/96/53/21/601965321.db2.gz VDQCRSLMCUKXQN-VIFPVBQESA-N 0 1 379.766 2.887 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740644602 601965322 /nfs/dbraw/zinc/96/53/22/601965322.db2.gz VDQCRSLMCUKXQN-VIFPVBQESA-N 0 1 379.766 2.887 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000740645148 601965472 /nfs/dbraw/zinc/96/54/72/601965472.db2.gz WIVAKFNQWZPACO-SECBINFHSA-N 0 1 379.766 2.887 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000740645148 601965474 /nfs/dbraw/zinc/96/54/74/601965474.db2.gz WIVAKFNQWZPACO-SECBINFHSA-N 0 1 379.766 2.887 20 0 GFADMN CC(C)(CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738750862 602008977 /nfs/dbraw/zinc/00/89/77/602008977.db2.gz NPXJMNHNLJWTER-MRXNPFEDSA-N 0 1 388.512 2.513 20 0 GFADMN CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000739305464 602124485 /nfs/dbraw/zinc/12/44/85/602124485.db2.gz XRGLIUMUCHNBEE-HXUWFJFHSA-N 0 1 376.501 2.589 20 0 GFADMN C[N@@H+](CCNC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)Cc1ccccc1 ZINC000739692441 602134296 /nfs/dbraw/zinc/13/42/96/602134296.db2.gz ONDUDAVLNCJUQK-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000828257727 602145483 /nfs/dbraw/zinc/14/54/83/602145483.db2.gz JKRUSVBCLYSZHZ-FUHWJXTLSA-N 0 1 380.533 2.815 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H](C)NC(=O)[O-])cc(=O)oc2c1 ZINC000738573978 602265536 /nfs/dbraw/zinc/26/55/36/602265536.db2.gz XACZCJYRWUBYCI-YVEFUNNKSA-N 0 1 387.436 2.762 20 0 GFADMN CCN(C(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000829601893 602279375 /nfs/dbraw/zinc/27/93/75/602279375.db2.gz CXNYGIKBLJPZTO-RDJZCZTQSA-N 0 1 385.468 2.657 20 0 GFADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1 ZINC000739108446 602286378 /nfs/dbraw/zinc/28/63/78/602286378.db2.gz XAFXIIDWWODLNL-OAHLLOKOSA-N 0 1 392.500 2.965 20 0 GFADMN O=C([O-])Nc1ccc(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000740702877 602315717 /nfs/dbraw/zinc/31/57/17/602315717.db2.gz IWGJFRRWZHACNM-LJQANCHMSA-N 0 1 381.476 3.000 20 0 GFADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CC(=O)[O-])C3CCCC3)cc2)C[C@@H](C)O1 ZINC000828496048 602335117 /nfs/dbraw/zinc/33/51/17/602335117.db2.gz ZSRQAENOFFSILH-HZPDHXFCSA-N 0 1 389.496 2.568 20 0 GFADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](CC(=O)[O-])C3CCCC3)cc2)C[C@@H](C)O1 ZINC000828496048 602335121 /nfs/dbraw/zinc/33/51/21/602335121.db2.gz ZSRQAENOFFSILH-HZPDHXFCSA-N 0 1 389.496 2.568 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000832916955 602340961 /nfs/dbraw/zinc/34/09/61/602340961.db2.gz UGBWWYQUFKQNEX-LJQANCHMSA-N 0 1 381.476 2.838 20 0 GFADMN COc1sc(CNCc2ccc(-c3nn[nH]n3)cc2)cc1Br ZINC000826222175 607564997 /nfs/dbraw/zinc/56/49/97/607564997.db2.gz LZTASZNKWQCMGQ-UHFFFAOYSA-N 0 1 380.271 2.989 20 0 GFADMN CC(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)NC(=O)[O-])cc1 ZINC000738880578 602416179 /nfs/dbraw/zinc/41/61/79/602416179.db2.gz COWUOIXKSBVRHF-KXBFYZLASA-N 0 1 388.512 2.902 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(CNC(=O)[O-])CCCC3)cc2)C[C@@H](C)O1 ZINC000739187715 602442328 /nfs/dbraw/zinc/44/23/28/602442328.db2.gz WXMNRQCKCSKCBN-HZPDHXFCSA-N 0 1 389.496 2.606 20 0 GFADMN 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C[C@H]1CN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833618583 605280387 /nfs/dbraw/zinc/28/03/87/605280387.db2.gz OVBZEPINPDJBJX-ZDUSSCGKSA-N 0 1 386.414 2.990 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000833619423 605283276 /nfs/dbraw/zinc/28/32/76/605283276.db2.gz CKMVCFWPVFDOFC-RYUDHWBXSA-N 0 1 382.436 2.925 20 0 GFADMN C[C@@H](Cc1noc(-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1)N(C)C(=O)[O-] ZINC000826058834 605300441 /nfs/dbraw/zinc/30/04/41/605300441.db2.gz QRBAMWLSOLMHOJ-SOUVJXGZSA-N 0 1 388.468 2.887 20 0 GFADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)O1 ZINC000833575557 605335798 /nfs/dbraw/zinc/33/57/98/605335798.db2.gz AOWWETMZFXOQTE-ZFWWWQNUSA-N 0 1 389.370 2.524 20 0 GFADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)O1 ZINC000833586622 605362834 /nfs/dbraw/zinc/36/28/34/605362834.db2.gz ZBKQQEUESBFSOX-WMZOPIPTSA-N 0 1 387.480 2.976 20 0 GFADMN CCN(CC(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000827009495 605378517 /nfs/dbraw/zinc/37/85/17/605378517.db2.gz LNERYIMTWRTNRK-KRWDZBQOSA-N 0 1 385.468 2.577 20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000833683425 605428793 /nfs/dbraw/zinc/42/87/93/605428793.db2.gz QAZBCOAYMYKNPA-CYBMUJFWSA-N 0 1 396.465 2.557 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498673 605450373 /nfs/dbraw/zinc/45/03/73/605450373.db2.gz GYENSHBFCUOXDR-JKSUJKDBSA-N 0 1 383.439 2.899 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833498673 605450377 /nfs/dbraw/zinc/45/03/77/605450377.db2.gz GYENSHBFCUOXDR-JKSUJKDBSA-N 0 1 383.439 2.899 20 0 GFADMN O=C([O-])N1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000834007283 605527708 /nfs/dbraw/zinc/52/77/08/605527708.db2.gz JMMYSVGGRLOPES-FQEVSTJZSA-N 0 1 381.476 2.805 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000826070072 605560260 /nfs/dbraw/zinc/56/02/60/605560260.db2.gz ZBISNHXUNYUIQC-FPAYPSAMSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])N1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000834021612 605572893 /nfs/dbraw/zinc/57/28/93/605572893.db2.gz MUEMHZQQWKDCSB-VAMGGRTRSA-N 0 1 385.508 2.793 20 0 GFADMN CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC ZINC000833652353 605728357 /nfs/dbraw/zinc/72/83/57/605728357.db2.gz SCXQSPRWTBWTDU-ZFWWWQNUSA-N 0 1 399.871 2.976 20 0 GFADMN CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1OC ZINC000833652353 605728358 /nfs/dbraw/zinc/72/83/58/605728358.db2.gz SCXQSPRWTBWTDU-ZFWWWQNUSA-N 0 1 399.871 2.976 20 0 GFADMN O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000834024534 605831576 /nfs/dbraw/zinc/83/15/76/605831576.db2.gz DJMGWROJQVLUQG-MOPGFXCFSA-N 0 1 385.508 2.795 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000833828745 605883345 /nfs/dbraw/zinc/88/33/45/605883345.db2.gz FFVHLPZFYBXVRL-ZJUUUORDSA-N 0 1 388.237 2.505 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000833828745 605883348 /nfs/dbraw/zinc/88/33/48/605883348.db2.gz FFVHLPZFYBXVRL-ZJUUUORDSA-N 0 1 388.237 2.505 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833827270 605883483 /nfs/dbraw/zinc/88/34/83/605883483.db2.gz AJUNJZPZROWULM-RYUDHWBXSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833827270 605883485 /nfs/dbraw/zinc/88/34/85/605883485.db2.gz AJUNJZPZROWULM-RYUDHWBXSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833828835 605886733 /nfs/dbraw/zinc/88/67/33/605886733.db2.gz FUPOXVWAOCKSFJ-IJLUTSLNSA-N 0 1 384.274 2.754 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1OC(F)F ZINC000832235105 605938892 /nfs/dbraw/zinc/93/88/92/605938892.db2.gz WVIPKKRFQGPELG-YHWZYXNKSA-N 0 1 383.395 2.880 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1OC(F)F ZINC000832235105 605938895 /nfs/dbraw/zinc/93/88/95/605938895.db2.gz WVIPKKRFQGPELG-YHWZYXNKSA-N 0 1 383.395 2.880 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759785 606173926 /nfs/dbraw/zinc/17/39/26/606173926.db2.gz NRDMLKPJFZMXNA-TXEJJXNPSA-N 0 1 384.406 2.797 20 0 GFADMN O=S(=O)(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1-c1nn[nH]n1 ZINC000823589181 606205207 /nfs/dbraw/zinc/20/52/07/606205207.db2.gz RJQDSIBHYWGHQC-UHFFFAOYSA-N 0 1 382.405 2.686 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](c2ccccc2C)C1 ZINC000821651651 606319138 /nfs/dbraw/zinc/31/91/38/606319138.db2.gz CZTGTNRITNNAMG-MJGOQNOKSA-N 0 1 377.448 2.879 20 0 GFADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]2C)c1-c1nn[nH]n1 ZINC000822015130 606504570 /nfs/dbraw/zinc/50/45/70/606504570.db2.gz DKYIHYWLQKYSGM-CYBMUJFWSA-N 0 1 379.468 2.697 20 0 GFADMN C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723259 606580882 /nfs/dbraw/zinc/58/08/82/606580882.db2.gz YPDQPYVRLRNCAE-ZDUSSCGKSA-N 0 1 398.492 2.901 20 0 GFADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)C1 ZINC000820723259 606580883 /nfs/dbraw/zinc/58/08/83/606580883.db2.gz YPDQPYVRLRNCAE-ZDUSSCGKSA-N 0 1 398.492 2.901 20 0 GFADMN C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820723259 606580884 /nfs/dbraw/zinc/58/08/84/606580884.db2.gz YPDQPYVRLRNCAE-ZDUSSCGKSA-N 0 1 398.492 2.901 20 0 GFADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)C1 ZINC000820723259 606580885 /nfs/dbraw/zinc/58/08/85/606580885.db2.gz YPDQPYVRLRNCAE-ZDUSSCGKSA-N 0 1 398.492 2.901 20 0 GFADMN Cc1cc(CC(=O)Nc2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000822200179 606679851 /nfs/dbraw/zinc/67/98/51/606679851.db2.gz XQYXNZDCFLTSCW-UHFFFAOYSA-N 0 1 375.392 2.872 20 0 GFADMN Cc1ccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000822229617 606717481 /nfs/dbraw/zinc/71/74/81/606717481.db2.gz YAUWUHUXGJDZIK-UGSOOPFHSA-N 0 1 380.427 2.770 20 0 GFADMN O=C1[C@H](N2CC[C@H](c3ccc(F)cc3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504053 606717542 /nfs/dbraw/zinc/71/75/42/606717542.db2.gz LIBYQEFPPDNNEN-QFBILLFUSA-N 0 1 392.438 2.601 20 0 GFADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000819927998 606753244 /nfs/dbraw/zinc/75/32/44/606753244.db2.gz FRTQNVPTUDXIIJ-ZDUSSCGKSA-N 0 1 375.448 2.950 20 0 GFADMN CC(C)c1cccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)c1 ZINC000820197870 606819626 /nfs/dbraw/zinc/81/96/26/606819626.db2.gz OIJVDVDTEMXQBJ-UHFFFAOYSA-N 0 1 386.481 2.857 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)CN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606948 606893061 /nfs/dbraw/zinc/89/30/61/606893061.db2.gz GPUHKDUGBHXYGP-RBUKOAKNSA-N 0 1 379.464 2.752 20 0 GFADMN CC1(OC(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CCC1 ZINC000820628558 606895087 /nfs/dbraw/zinc/89/50/87/606895087.db2.gz HLDSCLVXJWIHRO-UHFFFAOYSA-N 0 1 398.423 2.817 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CC(C)C)cc1-c1nn[nH]n1 ZINC000821969496 606914656 /nfs/dbraw/zinc/91/46/56/606914656.db2.gz AVQBXQOHLWWUEN-NSHDSACASA-N 0 1 376.486 2.730 20 0 GFADMN CCN(Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821222782 606971660 /nfs/dbraw/zinc/97/16/60/606971660.db2.gz ZJOFLPKWDGGGNM-GOSISDBHSA-N 0 1 380.427 2.633 20 0 GFADMN Cc1cc(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c2cc(F)ccc2n1 ZINC000822207239 607024578 /nfs/dbraw/zinc/02/45/78/607024578.db2.gz PEHRYHWMSBGDPJ-UHFFFAOYSA-N 0 1 390.426 2.584 20 0 GFADMN Cc1cc(C(=O)NC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c(C)o1 ZINC000822167984 607062836 /nfs/dbraw/zinc/06/28/36/607062836.db2.gz KTTLHXVCVOGFOL-UHFFFAOYSA-N 0 1 398.442 2.610 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586000 607114185 /nfs/dbraw/zinc/11/41/85/607114185.db2.gz FLMUAMSKAOUJJQ-UHFFFAOYSA-N 0 1 393.829 2.762 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821586000 607114186 /nfs/dbraw/zinc/11/41/86/607114186.db2.gz FLMUAMSKAOUJJQ-UHFFFAOYSA-N 0 1 393.829 2.762 20 0 GFADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000823136167 607211086 /nfs/dbraw/zinc/21/10/86/607211086.db2.gz MVOFYCPOXQQAKQ-UHFFFAOYSA-N 0 1 396.798 2.543 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000822215310 607227607 /nfs/dbraw/zinc/22/76/07/607227607.db2.gz VIJBXSCXHYMMQA-HOTGVXAUSA-N 0 1 393.495 2.791 20 0 GFADMN Fc1ccc2c(c1)[C@@H](N1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)CCC2 ZINC000826376104 607795111 /nfs/dbraw/zinc/79/51/11/607795111.db2.gz OVRVQHMFMMKVSF-SFHVURJKSA-N 0 1 379.443 2.600 20 0 GFADMN CCC[C@H]1[C@H](C)CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251549 607816237 /nfs/dbraw/zinc/81/62/37/607816237.db2.gz CCWDYBIBLIMAOY-PBHICJAKSA-N 0 1 377.514 2.541 20 0 GFADMN CCC[C@@H]1[C@@H](C)CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825251551 607816366 /nfs/dbraw/zinc/81/63/66/607816366.db2.gz CCWDYBIBLIMAOY-WMLDXEAASA-N 0 1 377.514 2.541 20 0 GFADMN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000826273421 607982862 /nfs/dbraw/zinc/98/28/62/607982862.db2.gz CTACVTYOCFPBRZ-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826077851 608020514 /nfs/dbraw/zinc/02/05/14/608020514.db2.gz XQVZJHNKCDXWNR-QWHCGFSZSA-N 0 1 388.520 2.533 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826077851 608020515 /nfs/dbraw/zinc/02/05/15/608020515.db2.gz XQVZJHNKCDXWNR-QWHCGFSZSA-N 0 1 388.520 2.533 20 0 GFADMN COc1ccc(CNCc2cc3ccccc3nc2OC)cc1-c1nn[nH]n1 ZINC000826202807 608122439 /nfs/dbraw/zinc/12/24/39/608122439.db2.gz NSBGQMLIHAPYCL-UHFFFAOYSA-N 0 1 376.420 2.722 20 0 GFADMN C[C@@H](CN(C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nccs1 ZINC000824413463 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/nfs/dbraw/zinc/80/19/63/663801963.db2.gz ZRRQNSBLHQQWLG-UHFFFAOYSA-N 0 1 383.495 2.713 20 0 GFADMN COC(=O)c1c(C)cc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)nc1C ZINC000903688951 663803493 /nfs/dbraw/zinc/80/34/93/663803493.db2.gz UHUAGFSNRDNZTR-CYBMUJFWSA-N 0 1 381.281 2.811 20 0 GFADMN O=C([O-])[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Br)[C@@H]([C@@H]2CCCO2)C1 ZINC000903942192 663813097 /nfs/dbraw/zinc/81/30/97/663813097.db2.gz WDVXCYYVDKITQV-VZEFYGNVSA-N 0 1 398.297 2.827 20 0 GFADMN COc1cc(C[NH2+][C@H](C(=O)[O-])c2cnn(C)c2C)c(F)cc1Br ZINC000904047555 663819852 /nfs/dbraw/zinc/81/98/52/663819852.db2.gz GOUHVGOSQQMADM-AWEZNQCLSA-N 0 1 386.221 2.554 20 0 GFADMN CCCOc1ccc(Br)cc1C[NH2+][C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000904052977 663820550 /nfs/dbraw/zinc/82/05/50/663820550.db2.gz XJDZIGQIQCELEA-CQSZACIVSA-N 0 1 382.258 2.747 20 0 GFADMN COC[C@@H]1CNCCN1C(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000904333522 663830684 /nfs/dbraw/zinc/83/06/84/663830684.db2.gz BFISTSQAKWOCGO-JTQLQIEISA-N 0 1 392.681 2.563 20 0 GFADMN COCC[C@H]1CNCCN1C(=O)Nc1ccc(Cl)cc1Br ZINC000904378703 663832067 /nfs/dbraw/zinc/83/20/67/663832067.db2.gz JDPKQYOEFXKVIO-NSHDSACASA-N 0 1 376.682 2.945 20 0 GFADMN COCC[C@H]1CNCCN1C(=O)Nc1cc(F)cc(F)c1Br ZINC000904429879 663833950 /nfs/dbraw/zinc/83/39/50/663833950.db2.gz ATDGLCGWCJBCEQ-JTQLQIEISA-N 0 1 378.217 2.570 20 0 GFADMN COCC[C@H]1CNCCN1C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000904485787 663836003 /nfs/dbraw/zinc/83/60/03/663836003.db2.gz VGMXYOWMRRHDRV-NSHDSACASA-N 0 1 377.819 2.826 20 0 GFADMN O=S(=O)(N=S1(=O)CCCC1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000905095139 663852461 /nfs/dbraw/zinc/85/24/61/663852461.db2.gz FUZAYZFVBCGDLB-UHFFFAOYSA-N 0 1 388.902 2.503 20 0 GFADMN Cc1cn[nH]c1C[S@@](=O)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000905180679 663856973 /nfs/dbraw/zinc/85/69/73/663856973.db2.gz AOIMIIPUYIHFLA-HSZRJFAPSA-N 0 1 395.282 2.903 20 0 GFADMN O[C@H](CNCc1cc(C(F)(F)F)ccc1Br)Cn1cccn1 ZINC000905464463 663872557 /nfs/dbraw/zinc/87/25/57/663872557.db2.gz GXUOWXHXTYZZRM-GFCCVEGCSA-N 0 1 378.192 2.815 20 0 GFADMN O[C@H](CNCc1cc(C2CC2)no1)COc1cc(F)cc(Br)c1 ZINC000905464343 663872562 /nfs/dbraw/zinc/87/25/62/663872562.db2.gz GNZBLZOXEPOPFT-CYBMUJFWSA-N 0 1 385.233 2.983 20 0 GFADMN Cc1ccc(CN(C)C)cc1NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906066180 663919420 /nfs/dbraw/zinc/91/94/20/663919420.db2.gz YUZMHBJEFCRBRG-DEOSSOPVSA-N 0 1 381.523 2.870 20 0 GFADMN C[C@@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000906515824 663955097 /nfs/dbraw/zinc/95/50/97/663955097.db2.gz XWAPZWCWUCAPDV-ZWNOBZJWSA-N 0 1 379.258 2.666 20 0 GFADMN C[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCCO1 ZINC000906515824 663955099 /nfs/dbraw/zinc/95/50/99/663955099.db2.gz XWAPZWCWUCAPDV-ZWNOBZJWSA-N 0 1 379.258 2.666 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906807789 663972762 /nfs/dbraw/zinc/97/27/62/663972762.db2.gz NBLWAZINQHZZNC-NSHDSACASA-N 0 1 392.880 2.720 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3cc(Br)ccc32)CCN1C ZINC000906985526 663989016 /nfs/dbraw/zinc/98/90/16/663989016.db2.gz AVNUTHPOGAMZSK-JQWIXIFHSA-N 0 1 386.315 2.691 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000907055194 663997675 /nfs/dbraw/zinc/99/76/75/663997675.db2.gz JVAJPTNHEDDDCB-VIFPVBQESA-N 0 1 379.251 2.967 20 0 GFADMN CCN1CCN(CC(C)(C)NS(=O)(=O)c2cc3ccccc3s2)CC1 ZINC000907240499 664014968 /nfs/dbraw/zinc/01/49/68/664014968.db2.gz WZTHJBVJECXTJY-UHFFFAOYSA-N 0 1 381.567 2.596 20 0 GFADMN Nc1cn[nH]c1[C@H]1CCN(C(=O)C(F)(F)c2ccccc2Br)C1 ZINC000907419269 664033164 /nfs/dbraw/zinc/03/31/64/664033164.db2.gz ZSCPXSPLJWKVRW-VIFPVBQESA-N 0 1 385.212 2.862 20 0 GFADMN O=C(c1oc2ccccc2c1Br)N1CCSC[C@H]1c1nn[nH]n1 ZINC000907474577 664038519 /nfs/dbraw/zinc/03/85/19/664038519.db2.gz XWTQKKMWDGGWHE-VIFPVBQESA-N 0 1 394.254 2.639 20 0 GFADMN Cc1cc(Br)ccc1CS(=O)(=O)N1CCC12CCN(C)CC2 ZINC000907856979 664066412 /nfs/dbraw/zinc/06/64/12/664066412.db2.gz GDIQCRAYAULDLO-UHFFFAOYSA-N 0 1 387.343 2.757 20 0 GFADMN CCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000908916910 664136029 /nfs/dbraw/zinc/13/60/29/664136029.db2.gz OTFZRQUVNJTZRM-AWEZNQCLSA-N 0 1 386.290 2.606 20 0 GFADMN C[C@H]1C[C@H](NC(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CC[N@H+]1C ZINC000908986768 664139767 /nfs/dbraw/zinc/13/97/67/664139767.db2.gz PEUQZCQNDABYSZ-SWLSCSKDSA-N 0 1 398.301 2.528 20 0 GFADMN CC(C)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000909311087 664152027 /nfs/dbraw/zinc/15/20/27/664152027.db2.gz JHNYVDTZENQAGD-GFCCVEGCSA-N 0 1 383.286 2.597 20 0 GFADMN CC(C)(NC(=O)c1ccc(Cn2cc(Br)cn2)s1)c1c[nH]nn1 ZINC000909726062 664171634 /nfs/dbraw/zinc/17/16/34/664171634.db2.gz XVDMKGJVVKOJFD-UHFFFAOYSA-N 0 1 395.286 2.539 20 0 GFADMN CCC[N@H+]1CCC[C@H]1C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000910162768 664196814 /nfs/dbraw/zinc/19/68/14/664196814.db2.gz JUVPSISKFWHMDR-JTQLQIEISA-N 0 1 387.299 2.925 20 0 GFADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC3(Br)CC3)n2)cc1 ZINC000910206936 664200108 /nfs/dbraw/zinc/20/01/08/664200108.db2.gz CVLBKXZFJKTTAJ-UHFFFAOYSA-N 0 1 381.299 2.916 20 0 GFADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000910712667 664223264 /nfs/dbraw/zinc/22/32/64/664223264.db2.gz RFMOVNNYRKTIIX-HUUCEWRRSA-N 0 1 383.286 2.906 20 0 GFADMN CC[C@H](CO)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000911253733 664240830 /nfs/dbraw/zinc/24/08/30/664240830.db2.gz IXUMXINGCGSFOU-BZNIZROVSA-N 0 1 378.270 2.665 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000911260805 664241243 /nfs/dbraw/zinc/24/12/43/664241243.db2.gz GIQRLQMYBZCCMK-VXGBXAGGSA-N 0 1 383.286 2.998 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc(Br)oc1C ZINC000911292469 664242609 /nfs/dbraw/zinc/24/26/09/664242609.db2.gz SCGWVYZRRICURK-LBPRGKRZSA-N 0 1 387.274 2.752 20 0 GFADMN CC(C)c1nc(CC2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)n[nH]1 ZINC000911865681 664259580 /nfs/dbraw/zinc/25/95/80/664259580.db2.gz XVJQKLDNLXIYDF-LLVKDONJSA-N 0 1 397.734 2.830 20 0 GFADMN CC(C)c1nnc(CC2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)[nH]1 ZINC000911865681 664259583 /nfs/dbraw/zinc/25/95/83/664259583.db2.gz XVJQKLDNLXIYDF-LLVKDONJSA-N 0 1 397.734 2.830 20 0 GFADMN O=C(c1cccc(I)c1O)N1CCC[C@@H]1c1ncccn1 ZINC000912645822 664295563 /nfs/dbraw/zinc/29/55/63/664295563.db2.gz DDDKRTVTUFJSON-GFCCVEGCSA-N 0 1 395.200 2.764 20 0 GFADMN O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906520 664309282 /nfs/dbraw/zinc/30/92/82/664309282.db2.gz GIGBUMFKHVEYEM-NSHDSACASA-N 0 1 376.254 2.623 20 0 GFADMN Cc1cc(I)cc(C(=O)N2CC[C@@H](N3CCC3)C2)c1C ZINC000912912767 664309918 /nfs/dbraw/zinc/30/99/18/664309918.db2.gz DKCSJKOZKSRRNQ-CQSZACIVSA-N 0 1 384.261 2.828 20 0 GFADMN COc1nsc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1Br ZINC000912949079 664313958 /nfs/dbraw/zinc/31/39/58/664313958.db2.gz WNDXRBIFJZGCDP-CPCISQLKSA-N 0 1 385.287 2.620 20 0 GFADMN O=C(Cc1cc(Cl)ccc1Br)N1CCC(c2nn[nH]n2)CC1 ZINC000913743598 664354759 /nfs/dbraw/zinc/35/47/59/664354759.db2.gz CCRGLDGEKLQGGT-UHFFFAOYSA-N 0 1 384.665 2.564 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCC(CO)(C(F)(F)F)CC1)c1ccsc1 ZINC000914073528 664374333 /nfs/dbraw/zinc/37/43/33/664374333.db2.gz NFQOEAWLERCQPJ-ZDUSSCGKSA-N 0 1 379.448 2.697 20 0 GFADMN O=C(NCCc1nc2ccccc2s1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000914389803 664405468 /nfs/dbraw/zinc/40/54/68/664405468.db2.gz ICUZNIPRZKJZAC-UKRRQHHQSA-N 0 1 376.551 2.718 20 0 GFADMN CC(C)NS(=O)(=O)c1ccc(=NNC(=S)Nc2cccc(Cl)c2)[nH]c1 ZINC000914702846 664414274 /nfs/dbraw/zinc/41/42/74/664414274.db2.gz AXMXTRCMPOWLDH-UHFFFAOYSA-N 0 1 399.929 2.735 20 0 GFADMN O=C(NN1CC(=O)NC1=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000914831849 664416808 /nfs/dbraw/zinc/41/68/08/664416808.db2.gz SAGVSVLRLZLEDM-UHFFFAOYSA-N 0 1 377.731 2.770 20 0 GFADMN CN1C(=S)N=NC1Cc1csc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000915067709 664420649 /nfs/dbraw/zinc/42/06/49/664420649.db2.gz GSPWTQGADQEMNS-UHFFFAOYSA-N 0 1 381.870 2.762 20 0 GFADMN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1occc1Br ZINC000915996710 664446149 /nfs/dbraw/zinc/44/61/49/664446149.db2.gz FPUXDXZPCXHKIJ-SSDOTTSWSA-N 0 1 380.182 2.678 20 0 GFADMN Cc1cc(C[C@H](C)NS(=O)(=O)Cc2ccsc2Br)n[nH]1 ZINC000916050539 664448086 /nfs/dbraw/zinc/44/80/86/664448086.db2.gz PZHAKAUDKVBXPD-VIFPVBQESA-N 0 1 378.317 2.593 20 0 GFADMN CC1(C)C[C@@H](CNS(=O)(=O)c2c(O)cccc2OC(F)(F)F)CCO1 ZINC000916193079 664454186 /nfs/dbraw/zinc/45/41/86/664454186.db2.gz VHWNHVNZPSRMMO-JTQLQIEISA-N 0 1 383.388 2.774 20 0 GFADMN CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cscc1C(F)F ZINC000917746920 664489858 /nfs/dbraw/zinc/48/98/58/664489858.db2.gz RBJDUWXKIFLQBF-GFCCVEGCSA-N 0 1 394.509 2.950 20 0 GFADMN COc1cccc([C@@H](CNS(=O)(=O)c2occc2Br)OC)c1 ZINC000917942841 664493155 /nfs/dbraw/zinc/49/31/55/664493155.db2.gz RDIFFKCHOZSCHH-CYBMUJFWSA-N 0 1 390.255 2.717 20 0 GFADMN Cc1cc(NC(=O)COC(=O)c2[nH]nc3c2CCC3)ccc1Br ZINC000919330073 664511445 /nfs/dbraw/zinc/51/14/45/664511445.db2.gz AUJGRLDYZMBNQB-UHFFFAOYSA-N 0 1 378.226 2.765 20 0 GFADMN CC(C)C(=O)[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000920555622 664527821 /nfs/dbraw/zinc/52/78/21/664527821.db2.gz XIWORGSKMKLAJK-LBPRGKRZSA-N 0 1 375.372 2.673 20 0 GFADMN Clc1ccccc1[C@@H](CNCc1nc(Br)c[nH]1)N1CCOCC1 ZINC000921500843 664550791 /nfs/dbraw/zinc/55/07/91/664550791.db2.gz HYICJEIBJGMDSB-CQSZACIVSA-N 0 1 399.720 2.989 20 0 GFADMN COc1cc(Br)cc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000921533547 664552657 /nfs/dbraw/zinc/55/26/57/664552657.db2.gz NTOHITXQFKSJOH-SNVBAGLBSA-N 0 1 381.274 2.920 20 0 GFADMN CCn1c(CN[C@H](CCO)C(C)C)nc(Br)c1Br ZINC000921792485 664569054 /nfs/dbraw/zinc/56/90/54/664569054.db2.gz XWNUQIFBBJAWDX-SECBINFHSA-N 0 1 383.128 2.925 20 0 GFADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000921859525 664573494 /nfs/dbraw/zinc/57/34/94/664573494.db2.gz BUMTUELFZLDQNS-GXFFZTMASA-N 0 1 385.791 2.788 20 0 GFADMN CCOCCOCCNS(=O)(=O)c1oc2ccccc2c1Br ZINC000921885386 664574808 /nfs/dbraw/zinc/57/48/08/664574808.db2.gz HCAFJSZHJSGYCV-UHFFFAOYSA-N 0 1 392.271 2.527 20 0 GFADMN O=C(OCCO)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000921897299 664575099 /nfs/dbraw/zinc/57/50/99/664575099.db2.gz JCPOOFDQTSLMJZ-UHFFFAOYSA-N 0 1 390.244 2.943 20 0 GFADMN Cn1nc(C2CC2)cc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000921898959 664575255 /nfs/dbraw/zinc/57/52/55/664575255.db2.gz HSYCTKCPWRNFKP-UHFFFAOYSA-N 0 1 375.372 2.500 20 0 GFADMN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1c(Cl)cccc1Cl ZINC000922342695 664595452 /nfs/dbraw/zinc/59/54/52/664595452.db2.gz CDFVNADBXYSTDL-AWEZNQCLSA-N 0 1 386.323 2.520 20 0 GFADMN Cn1nccc1[C@@H]1[C@@H](NCc2sccc2Br)CCC(=O)N1C ZINC000922403741 664599809 /nfs/dbraw/zinc/59/98/09/664599809.db2.gz CFYYUFHUUIDYQJ-NHYWBVRUSA-N 0 1 383.315 2.696 20 0 GFADMN CO[C@]1(CNCc2cnc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1 ZINC000922617357 664608450 /nfs/dbraw/zinc/60/84/50/664608450.db2.gz LEYOOCXPBDGNCJ-INIZCTEOSA-N 0 1 386.926 2.757 20 0 GFADMN Cc1nc(CNCCc2ccccc2S(C)(=O)=O)sc1Br ZINC000922683665 664610571 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/nfs/dbraw/zinc/48/37/40/552483740.db2.gz SVIRUPXHDJPVIZ-RHSMWYFYSA-N 0 1 385.302 2.543 20 0 GFADMN CCO[C@@H]1C[C@@](CO)(NCC(=O)Nc2ccc(Br)cc2)C1(C)C ZINC000189967187 552484025 /nfs/dbraw/zinc/48/40/25/552484025.db2.gz VKKYREZJJXTFPE-PBHICJAKSA-N 0 1 385.302 2.543 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(F)cc1Br ZINC000190130610 552488286 /nfs/dbraw/zinc/48/82/86/552488286.db2.gz QWTZYEVBLMKVKV-NSHDSACASA-N 0 1 388.281 2.897 20 0 GFADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2csc3ccccc23)C1 ZINC000190369352 552494297 /nfs/dbraw/zinc/49/42/97/552494297.db2.gz TYDODZJCGDPGIL-MRXNPFEDSA-N 0 1 382.551 2.774 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCSC[C@H]1c1cnn(C)c1)c1cccs1 ZINC000190425464 552495898 /nfs/dbraw/zinc/49/58/98/552495898.db2.gz QIQDEGZDQHZTDK-GJZGRUSLSA-N 0 1 379.555 2.584 20 0 GFADMN COCCN1CCCN(CCCc2ccc(Br)cc2OC)CC1=O ZINC000190779949 552509059 /nfs/dbraw/zinc/50/90/59/552509059.db2.gz GTRSZEYQWOISQG-UHFFFAOYSA-N 0 1 399.329 2.571 20 0 GFADMN O=C(Cc1ccc(I)cc1)Nc1nc(C2CCC2)n[nH]1 ZINC000191006012 552516463 /nfs/dbraw/zinc/51/64/63/552516463.db2.gz IIDFDLDJFCRTEN-UHFFFAOYSA-N 0 1 382.205 2.858 20 0 GFADMN O=C(Cc1ccc(I)cc1)Nc1n[nH]c(C2CCC2)n1 ZINC000191006012 552516465 /nfs/dbraw/zinc/51/64/65/552516465.db2.gz IIDFDLDJFCRTEN-UHFFFAOYSA-N 0 1 382.205 2.858 20 0 GFADMN C[C@H]1CC[C@@H](C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)O1 ZINC000191084294 552517951 /nfs/dbraw/zinc/51/79/51/552517951.db2.gz AGUGJJOUYIVLSY-GUYCJALGSA-N 0 1 396.329 2.703 20 0 GFADMN Cn1cc([C@H]2CSCCN2CCC(=O)N2CCc3sccc3C2)cn1 ZINC000191217852 552521391 /nfs/dbraw/zinc/52/13/91/552521391.db2.gz RGLQJJSWDILVJE-MRXNPFEDSA-N 0 1 376.551 2.547 20 0 GFADMN CCO[C@H]1C[C@](O)(CNC(=O)c2n[nH]c3ccc(Br)cc32)C1(C)C ZINC000191700079 552535291 /nfs/dbraw/zinc/53/52/91/552535291.db2.gz AVASSLIXROLZRD-GUYCJALGSA-N 0 1 396.285 2.621 20 0 GFADMN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)n1 ZINC000191818843 552539367 /nfs/dbraw/zinc/53/93/67/552539367.db2.gz POPABNRFXHMNDU-UHFFFAOYSA-N 0 1 399.266 2.669 20 0 GFADMN O=S(=O)(CCO)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000191838278 552539376 /nfs/dbraw/zinc/53/93/76/552539376.db2.gz RBCNDPJBUDWTAW-UHFFFAOYSA-N 0 1 390.324 2.566 20 0 GFADMN Cc1c([C@@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C ZINC000192076387 552549722 /nfs/dbraw/zinc/54/97/22/552549722.db2.gz VCBMQLLWQDXIDL-BDJLRTHQSA-N 0 1 377.286 2.947 20 0 GFADMN COc1ccnc(N2CCN(C(=O)c3cccc(Br)c3F)CC2)c1 ZINC000192112624 552551056 /nfs/dbraw/zinc/55/10/56/552551056.db2.gz RAEJPZSAIFVEAT-UHFFFAOYSA-N 0 1 394.244 2.954 20 0 GFADMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000192819243 552974468 /nfs/dbraw/zinc/97/44/68/552974468.db2.gz DPJFVMNPRUFUQX-ZDUSSCGKSA-N 0 1 390.933 2.900 20 0 GFADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000192831193 552975159 /nfs/dbraw/zinc/97/51/59/552975159.db2.gz YOWQRJWWMQSWHA-ZDUSSCGKSA-N 0 1 378.885 2.688 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2CCCCC2)cc1OC ZINC000192830751 552975359 /nfs/dbraw/zinc/97/53/59/552975359.db2.gz GXRNCWYTLSKGGD-GFCCVEGCSA-N 0 1 376.906 2.510 20 0 GFADMN CCOc1c(Br)cc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1OC ZINC000193190300 552985596 /nfs/dbraw/zinc/98/55/96/552985596.db2.gz XXAMBGRLJQVRJI-UHFFFAOYSA-N 0 1 395.257 2.784 20 0 GFADMN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000193296171 552989547 /nfs/dbraw/zinc/98/95/47/552989547.db2.gz BFQCKMZQHKGRHK-UHFFFAOYSA-N 0 1 376.103 2.772 20 0 GFADMN O=S(=O)(c1sccc1Br)N1CCC[C@@H]1CN1CCCC1 ZINC000194933996 553034322 /nfs/dbraw/zinc/03/43/22/553034322.db2.gz CNUJBVUNUWDQOK-LLVKDONJSA-N 0 1 379.345 2.760 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000228738927 553063696 /nfs/dbraw/zinc/06/36/96/553063696.db2.gz ZORGZZPGTWINHI-CHWSQXEVSA-N 0 1 388.917 2.525 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000234110063 553067508 /nfs/dbraw/zinc/06/75/08/553067508.db2.gz MAFHOLSTCXJFEI-LBPRGKRZSA-N 0 1 379.295 2.693 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)N1CCCC1 ZINC000235483683 553068627 /nfs/dbraw/zinc/06/86/27/553068627.db2.gz AAQOWQLYAUHECG-SNVBAGLBSA-N 0 1 381.723 2.865 20 0 GFADMN C[C@H]1CNCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000237626360 553080159 /nfs/dbraw/zinc/08/01/59/553080159.db2.gz WMAUNLZZUQDPNH-NSHDSACASA-N 0 1 380.311 2.935 20 0 GFADMN O[C@@H](CN1CCCC[C@H]1CN1CCOCC1)c1cccc(Br)c1 ZINC000245817715 553097809 /nfs/dbraw/zinc/09/78/09/553097809.db2.gz SKVFDKTXNMZFKD-ROUUACIJSA-N 0 1 383.330 2.669 20 0 GFADMN O=C1C[C@H](N2CC[C@@H]3OCCC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000246980675 553116368 /nfs/dbraw/zinc/11/63/68/553116368.db2.gz OISZCDFRAVVTBJ-RCBQFDQVSA-N 0 1 393.281 2.582 20 0 GFADMN CNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000247498814 553122838 /nfs/dbraw/zinc/12/28/38/553122838.db2.gz HWJNXAVTQOKCSU-QWHCGFSZSA-N 0 1 382.302 2.543 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000247690607 553125236 /nfs/dbraw/zinc/12/52/36/553125236.db2.gz QZJNGFXUTXYABF-STQMWFEESA-N 0 1 375.332 2.861 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccsc1Cl ZINC000249010970 553137758 /nfs/dbraw/zinc/13/77/58/553137758.db2.gz XULJMINRWBGMLC-IUODEOHRSA-N 0 1 377.897 2.977 20 0 GFADMN C[C@H](O)CN1CCN(Cc2coc(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000249289262 553141714 /nfs/dbraw/zinc/14/17/14/553141714.db2.gz PCVHKKHBEKUBEY-KBPBESRZSA-N 0 1 394.313 2.991 20 0 GFADMN O[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(Br)c5c(c4)OCCCO5)[C@H]1[C@H]3C2 ZINC000249653188 553145225 /nfs/dbraw/zinc/14/52/25/553145225.db2.gz YULJWOPGBNIIBT-UCQBOQSVSA-N 0 1 380.282 2.812 20 0 GFADMN COC[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)C[C@H](C)O1 ZINC000251523599 553148072 /nfs/dbraw/zinc/14/80/72/553148072.db2.gz CVUHFAVQEPAHHI-AAEUAGOBSA-N 0 1 389.265 2.653 20 0 GFADMN CCN(CC)C(=O)[C@@H]1CCCN1C[C@@H](O)COc1ccc(Br)cc1 ZINC000253359682 553151037 /nfs/dbraw/zinc/15/10/37/553151037.db2.gz YXMBOXSZTGBOBG-WBVHZDCISA-N 0 1 399.329 2.522 20 0 GFADMN Cc1cc(C)c(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000261651671 553155038 /nfs/dbraw/zinc/15/50/38/553155038.db2.gz DNKPCZWSSRHJJJ-KRWDZBQOSA-N 0 1 378.270 2.657 20 0 GFADMN C[C@@H](O)c1ccc(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261722695 553157306 /nfs/dbraw/zinc/15/73/06/553157306.db2.gz KGMSXGGUYMXHKB-XIKOKIGWSA-N 0 1 377.282 2.993 20 0 GFADMN Cc1cnn([C@H]2CCCN(C(=O)[C@](C)(N)c3ccc(Br)cc3)C2)c1 ZINC000261746880 553157883 /nfs/dbraw/zinc/15/78/83/553157883.db2.gz MIFAFHOIIJBYAA-FUHWJXTLSA-N 0 1 391.313 2.992 20 0 GFADMN O=S(=O)(NC[C@H]1NCCc2ccccc21)c1sccc1Br ZINC000261780856 553159189 /nfs/dbraw/zinc/15/91/89/553159189.db2.gz WWMYZDMTASNSDG-CYBMUJFWSA-N 0 1 387.324 2.676 20 0 GFADMN C[C@@](N)(C(=O)NCCOCc1ccccc1)c1ccc(Br)cc1 ZINC000261853553 553161331 /nfs/dbraw/zinc/16/13/31/553161331.db2.gz WCKFPRMCFVKEJN-SFHVURJKSA-N 0 1 377.282 2.956 20 0 GFADMN O=S(=O)(NC[C@@H]1NCCc2ccccc21)c1ccccc1Br ZINC000262479586 553171262 /nfs/dbraw/zinc/17/12/62/553171262.db2.gz JXHXKBYVZQHYQF-HNNXBMFYSA-N 0 1 381.295 2.614 20 0 GFADMN C[C@@H]1NCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)[C@H]1C ZINC000262816693 553176912 /nfs/dbraw/zinc/17/69/12/553176912.db2.gz ZIWKMCRLHDLHNZ-YUMQZZPRSA-N 0 1 385.686 2.613 20 0 GFADMN Fc1cc(Br)cc(CN2CC[C@H](CN3CCOCC3)C2)c1F ZINC000563218452 564180029 /nfs/dbraw/zinc/18/00/29/564180029.db2.gz YGUILSAIJFHYBB-GFCCVEGCSA-N 0 1 375.257 2.881 20 0 GFADMN Fc1cc(Br)cc(CNC[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000449321452 564180622 /nfs/dbraw/zinc/18/06/22/564180622.db2.gz SPXGKHDMNIUODE-CYBMUJFWSA-N 0 1 385.199 2.941 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2Br)C1 ZINC000512350201 564398782 /nfs/dbraw/zinc/39/87/82/564398782.db2.gz JOIHGBYXXHQNPV-XJKCOSOUSA-N 0 1 390.343 2.818 20 0 GFADMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(Br)ccc1C ZINC000453023339 564443115 /nfs/dbraw/zinc/44/31/15/564443115.db2.gz OHHWOJNJHVIECO-UHFFFAOYSA-N 0 1 388.287 2.829 20 0 GFADMN Cc1nn(C)c(CNCCCCNC(=O)OC(C)(C)C)c1Br ZINC000279217242 563287756 /nfs/dbraw/zinc/28/77/56/563287756.db2.gz WWLRVWDHRFOTTQ-UHFFFAOYSA-N 0 1 375.311 2.886 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c1Br ZINC000279442366 563296444 /nfs/dbraw/zinc/29/64/44/563296444.db2.gz LOFFTBKCEWLVQT-JOCHJYFZSA-N 0 1 384.299 2.744 20 0 GFADMN C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Br)N(C)C1CC1 ZINC000312834992 563436634 /nfs/dbraw/zinc/43/66/34/563436634.db2.gz KAOOJJSAQOBWHN-SECBINFHSA-N 0 1 381.723 2.864 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(F)c(Br)c1 ZINC000369442098 563213816 /nfs/dbraw/zinc/21/38/16/563213816.db2.gz XCWNHAKEBGUTEZ-IINYFYTJSA-N 0 1 381.249 2.778 20 0 GFADMN COCc1cccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)c1 ZINC000369539712 563216309 /nfs/dbraw/zinc/21/63/09/563216309.db2.gz JZBZUCZTWIVVRR-YJBOKZPZSA-N 0 1 380.535 2.866 20 0 GFADMN OC1CCN(CCNCc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000294778805 563216834 /nfs/dbraw/zinc/21/68/34/563216834.db2.gz GPLTYJGAGPZVAK-UHFFFAOYSA-N 0 1 381.929 2.922 20 0 GFADMN O=C1[C@@H](N2CCN(C3CCC3)CC2)CCN1c1cccc(Br)c1 ZINC000277628835 563217451 /nfs/dbraw/zinc/21/74/51/563217451.db2.gz XPFAEVJIMRTMNN-KRWDZBQOSA-N 0 1 378.314 2.725 20 0 GFADMN Cc1nnc(SCC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)[nH]1 ZINC000369581183 563218341 /nfs/dbraw/zinc/21/83/41/563218341.db2.gz YXGVDRHZXUFALO-LBPRGKRZSA-N 0 1 397.298 2.950 20 0 GFADMN Cc1n[nH]c(SCC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000369581183 563218343 /nfs/dbraw/zinc/21/83/43/563218343.db2.gz YXGVDRHZXUFALO-LBPRGKRZSA-N 0 1 397.298 2.950 20 0 GFADMN C[C@H](CNC(=O)c1cc(Cl)c(Br)cc1F)N1CCN(C)CC1 ZINC000294866011 563219079 /nfs/dbraw/zinc/21/90/79/563219079.db2.gz BJQSZGPQSPAFPC-SNVBAGLBSA-N 0 1 392.700 2.607 20 0 GFADMN Cc1ncc(CN2CC[C@H](NC(=O)N(C)Cc3cscn3)[C@H](C)C2)s1 ZINC000369611102 563219586 /nfs/dbraw/zinc/21/95/86/563219586.db2.gz DCLSDIRDOGORKK-WBMJQRKESA-N 0 1 379.555 2.960 20 0 GFADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cn(C)cc(Br)c1=O)C2 ZINC000369654699 563220460 /nfs/dbraw/zinc/22/04/60/563220460.db2.gz MHGPFVHBKIOZGO-SNVBAGLBSA-N 0 1 393.285 2.738 20 0 GFADMN 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CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000330783625 563521061 /nfs/dbraw/zinc/52/10/61/563521061.db2.gz IMIXTXNRQZKKDN-AHIWAGSCSA-N 0 1 396.329 2.567 20 0 GFADMN C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000330789689 563521564 /nfs/dbraw/zinc/52/15/64/563521564.db2.gz BLXWXWRLQAJKEB-SECBINFHSA-N 0 1 377.666 2.715 20 0 GFADMN CN(C)S(=O)(=O)c1cccc(CNCc2ccc(Br)cc2)c1 ZINC000390178606 563522669 /nfs/dbraw/zinc/52/26/69/563522669.db2.gz DXRVFFAPHYHAOV-UHFFFAOYSA-N 0 1 383.311 2.989 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Br)CC[N@H+]1C ZINC000429814028 563523309 /nfs/dbraw/zinc/52/33/09/563523309.db2.gz KUHPCGNVWBXCHQ-MWLCHTKSSA-N 0 1 381.723 2.864 20 0 GFADMN CNS(=O)(=O)NC1CCN(Cc2ccc(-c3ccc(C)cc3)s2)CC1 ZINC000330899477 563526071 /nfs/dbraw/zinc/52/60/71/563526071.db2.gz JDIUFOIDCVXVPJ-UHFFFAOYSA-N 0 1 379.551 2.742 20 0 GFADMN COc1c(Cl)cc(Cl)cc1CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331015140 563531317 /nfs/dbraw/zinc/53/13/17/563531317.db2.gz 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CCN(C[C@H]1CCCO1)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000331622104 563555028 /nfs/dbraw/zinc/55/50/28/563555028.db2.gz GWJXZWHMOUCRTH-LLVKDONJSA-N 0 1 399.232 2.809 20 0 GFADMN C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H]1CO ZINC000408439652 563556275 /nfs/dbraw/zinc/55/62/75/563556275.db2.gz TZMGJHXZNSPJAK-BMIGLBTASA-N 0 1 379.254 2.524 20 0 GFADMN CNC(=O)CC[C@@H]1CCCCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000286430522 563560370 /nfs/dbraw/zinc/56/03/70/563560370.db2.gz KZZCEJNOEVYUDA-NSHDSACASA-N 0 1 397.273 2.973 20 0 GFADMN COC(=O)c1cccc(Br)c1CSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000431502902 563561243 /nfs/dbraw/zinc/56/12/43/563561243.db2.gz SXYNQZXGBRKUQL-UHFFFAOYSA-N 0 1 395.238 2.900 20 0 GFADMN COC(=O)c1csc(S(=O)(=O)N2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000409469507 563561530 /nfs/dbraw/zinc/56/15/30/563561530.db2.gz NHBZHSOFHIXFAR-VNHYZAJKSA-N 0 1 386.539 2.561 20 0 GFADMN Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000331779355 563562106 /nfs/dbraw/zinc/56/21/06/563562106.db2.gz 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Cc1nc(S(=O)(=O)NC[C@@H]2CCCO[C@H]2C(C)C)sc1Br ZINC000540040875 564237973 /nfs/dbraw/zinc/23/79/73/564237973.db2.gz GTCKBLRYDYIIML-QWRGUYRKSA-N 0 1 397.360 2.944 20 0 GFADMN Cc1nc(S(=O)(=O)NCCOc2ccc(F)cc2)sc1Br ZINC000540040467 564238391 /nfs/dbraw/zinc/23/83/91/564238391.db2.gz SNCIOWAFDQHWFZ-UHFFFAOYSA-N 0 1 395.275 2.710 20 0 GFADMN O=C(CCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2)Nc1cc(Cl)cc(Cl)c1 ZINC000564553454 564238505 /nfs/dbraw/zinc/23/85/05/564238505.db2.gz UKHPTXOEQXICTJ-OKILXGFUSA-N 0 1 385.295 2.858 20 0 GFADMN CCCCN(CCCO)CC(=O)Nc1ccc(I)cc1 ZINC000540425863 564247789 /nfs/dbraw/zinc/24/77/89/564247789.db2.gz KQPWSBNMMLYXKC-UHFFFAOYSA-N 0 1 390.265 2.714 20 0 GFADMN Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCC2)CC1 ZINC000507982467 564250203 /nfs/dbraw/zinc/25/02/03/564250203.db2.gz QDVLFPWBGRPZKW-UHFFFAOYSA-N 0 1 382.331 2.981 20 0 GFADMN Cc1ccc(Br)cc1CN1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000450960679 564257210 /nfs/dbraw/zinc/25/72/10/564257210.db2.gz PHIHGHQKLSGBOS-GOSISDBHSA-N 0 1 381.314 2.707 20 0 GFADMN Cc1cc(C)c(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1Br ZINC000450986115 564260336 /nfs/dbraw/zinc/26/03/36/564260336.db2.gz GCRPLFJAEKKZDW-CQSZACIVSA-N 0 1 383.330 2.983 20 0 GFADMN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@@H]1CCOC1 ZINC000540997858 564262236 /nfs/dbraw/zinc/26/22/36/564262236.db2.gz PRPFQQINFRARID-CQSZACIVSA-N 0 1 386.286 2.920 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 ZINC000451018099 564264453 /nfs/dbraw/zinc/26/44/53/564264453.db2.gz LUDRZCXVFMTNHD-UHFFFAOYSA-N 0 1 388.917 2.540 20 0 GFADMN COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000474107344 564265206 /nfs/dbraw/zinc/26/52/06/564265206.db2.gz XXQCZRBKPPSMSD-NWDGAFQWSA-N 0 1 391.331 2.527 20 0 GFADMN C[C@](CO)(NC[C@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042544 564266958 /nfs/dbraw/zinc/26/69/58/564266958.db2.gz VYHGKZPJDGEOGL-MAUKXSAKSA-N 0 1 386.275 2.936 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccccc2Cl)ccc1O ZINC000509056806 564280138 /nfs/dbraw/zinc/28/01/38/564280138.db2.gz YUINUYDXNBBDJD-UHFFFAOYSA-N 0 1 382.869 2.870 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1O ZINC000509070356 564280803 /nfs/dbraw/zinc/28/08/03/564280803.db2.gz RNRWKFRBJAKNBL-GFCCVEGCSA-N 0 1 380.491 2.728 20 0 GFADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000509181989 564285143 /nfs/dbraw/zinc/28/51/43/564285143.db2.gz DNPDKOQVGIDOPT-AWEZNQCLSA-N 0 1 382.473 2.729 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1c(F)ccc(I)c1F ZINC000474877273 564292081 /nfs/dbraw/zinc/29/20/81/564292081.db2.gz GAOPGUHFCZQSMR-PRHODGIISA-N 0 1 394.203 2.574 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc21)N1CCN(C2CCOCC2)CC1 ZINC000474901239 564292798 /nfs/dbraw/zinc/29/27/98/564292798.db2.gz ZPAMEUYYWQLUMB-UHFFFAOYSA-N 0 1 392.297 2.867 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)c1ccc(C)o1 ZINC000451268916 564292818 /nfs/dbraw/zinc/29/28/18/564292818.db2.gz NTKBLNPIGKXDCA-LLVKDONJSA-N 0 1 379.356 2.978 20 0 GFADMN C[C@@H]1CN(Cc2ccc(OC(F)(F)F)c(Br)c2)CCN1CCO ZINC000474933697 564293519 /nfs/dbraw/zinc/29/35/19/564293519.db2.gz NXHISPJZCRZLSM-LLVKDONJSA-N 0 1 397.235 2.846 20 0 GFADMN OCC[C@H](NC[C@@H](O)COCc1ccco1)c1ccccc1Br ZINC000541951721 564296489 /nfs/dbraw/zinc/29/64/89/564296489.db2.gz JCRZIYHHTKRYAT-DYVFJYSZSA-N 0 1 384.270 2.633 20 0 GFADMN CN(C(=O)NCc1nc2c(cccc2Br)[nH]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565818698 564296765 /nfs/dbraw/zinc/29/67/65/564296765.db2.gz AAWJQXGWOFOFTI-GFCCVEGCSA-N 0 1 392.301 2.704 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)CN1C1CC1 ZINC000451299104 564297663 /nfs/dbraw/zinc/29/76/63/564297663.db2.gz RDSOIKJJQXNDCH-CMPLNLGQSA-N 0 1 391.306 2.633 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475089269 564299254 /nfs/dbraw/zinc/29/92/54/564299254.db2.gz BJLRJHDBPSEXQJ-LLVKDONJSA-N 0 1 381.236 2.966 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000509461853 564300549 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CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c(F)c1 ZINC000509610571 564306269 /nfs/dbraw/zinc/30/62/69/564306269.db2.gz KRGFCFLXOMWALE-UHFFFAOYSA-N 0 1 394.396 2.936 20 0 GFADMN C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451436839 564313085 /nfs/dbraw/zinc/31/30/85/564313085.db2.gz XCZVFMQBHFVOOK-GFCCVEGCSA-N 0 1 393.322 2.882 20 0 GFADMN Cc1cc(Br)cn2c(CN3CCN(CCOC(C)C)CC3)cnc12 ZINC000542466174 564314544 /nfs/dbraw/zinc/31/45/44/564314544.db2.gz HUAZMHKJDDXOTD-UHFFFAOYSA-N 0 1 395.345 2.948 20 0 GFADMN C[C@H]1C[C@H](C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)CO1 ZINC000475755110 564318270 /nfs/dbraw/zinc/31/82/70/564318270.db2.gz GKPXYDXYAAXZOZ-ZFWWWQNUSA-N 0 1 396.329 2.560 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)COc2ccc(F)cc2Br)n1 ZINC000510017628 564322064 /nfs/dbraw/zinc/32/20/64/564322064.db2.gz DEUYDHJYPUBGMG-UHFFFAOYSA-N 0 1 386.177 2.506 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)n1nnnc1C(C)(C)C ZINC000542716376 564322906 /nfs/dbraw/zinc/32/29/06/564322906.db2.gz ANQPIGUZYMZPFC-QMMMGPOBSA-N 0 1 392.261 2.809 20 0 GFADMN COC(=O)C[C@H]1CSCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000475878906 564323339 /nfs/dbraw/zinc/32/33/39/564323339.db2.gz GQJYMIIKQZLBNM-QWHCGFSZSA-N 0 1 394.320 2.714 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000475878901 564323358 /nfs/dbraw/zinc/32/33/58/564323358.db2.gz GQJYMIIKQZLBNM-CHWSQXEVSA-N 0 1 394.320 2.714 20 0 GFADMN COC(=O)C[C@H]1CSCCN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000475880546 564323561 /nfs/dbraw/zinc/32/35/61/564323561.db2.gz LOHCFGGVZIRXSK-NWDGAFQWSA-N 0 1 394.320 2.714 20 0 GFADMN Cc1n[nH]cc1CCCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000451553717 564324422 /nfs/dbraw/zinc/32/44/22/564324422.db2.gz YTIWKTOHXXPFIY-UHFFFAOYSA-N 0 1 394.241 2.670 20 0 GFADMN CN(C)C(=O)CCN1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000542975504 564334254 /nfs/dbraw/zinc/33/42/54/564334254.db2.gz HCFNROTUKUYXHL-UHFFFAOYSA-N 0 1 382.295 2.537 20 0 GFADMN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(F)cc1Br ZINC000510504334 564336619 /nfs/dbraw/zinc/33/66/19/564336619.db2.gz YAQKFWZEEHSZNI-DGCLKSJQSA-N 0 1 391.306 2.836 20 0 GFADMN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)s1 ZINC000510503459 564336746 /nfs/dbraw/zinc/33/67/46/564336746.db2.gz UEWLEAIIQYPLPL-MNOVXSKESA-N 0 1 379.345 2.758 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)cn1C ZINC000543164018 564341059 /nfs/dbraw/zinc/34/10/59/564341059.db2.gz JQOFGMIWAKPQGW-UHFFFAOYSA-N 0 1 376.406 2.613 20 0 GFADMN Cc1cc(Br)cc(C)c1N1CCC[C@H](N(C)CCOCCO)C1=O ZINC000510633142 564341617 /nfs/dbraw/zinc/34/16/17/564341617.db2.gz JNVODKGRNALOFP-INIZCTEOSA-N 0 1 399.329 2.502 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1O ZINC000566759324 564342258 /nfs/dbraw/zinc/34/22/58/564342258.db2.gz DQQVTCSHZLQCDA-UHFFFAOYSA-N 0 1 389.260 2.788 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@@H]1C ZINC000476525904 564343299 /nfs/dbraw/zinc/34/32/99/564343299.db2.gz ROSMUYIEIDGPAA-RYUDHWBXSA-N 0 1 379.302 2.960 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2c(C)nc3ccc(Br)cn32)C[C@H]1C ZINC000476525902 564343566 /nfs/dbraw/zinc/34/35/66/564343566.db2.gz ROSMUYIEIDGPAA-NEPJUHHUSA-N 0 1 379.302 2.960 20 0 GFADMN Cn1c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])nc2ccc(Br)cc21 ZINC000566801665 564343743 /nfs/dbraw/zinc/34/37/43/564343743.db2.gz AZNRLZFWQMDJMP-LLVKDONJSA-N 0 1 384.299 2.728 20 0 GFADMN Cn1c(C[N@H+]2CCSC[C@H]2CC(=O)[O-])nc2ccc(Br)cc21 ZINC000566801665 564343745 /nfs/dbraw/zinc/34/37/45/564343745.db2.gz AZNRLZFWQMDJMP-LLVKDONJSA-N 0 1 384.299 2.728 20 0 GFADMN O=C(CN[C@@H](c1ccccc1)c1ccccc1Br)N1CCNCC1 ZINC000566791079 564344111 /nfs/dbraw/zinc/34/41/11/564344111.db2.gz OYPIVOVVGMNQBN-IBGZPJMESA-N 0 1 388.309 2.560 20 0 GFADMN C[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000510968085 564351604 /nfs/dbraw/zinc/35/16/04/564351604.db2.gz MGOXTWQOHWHXSD-RYUDHWBXSA-N 0 1 381.885 2.665 20 0 GFADMN CCSc1nnc(NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)s1 ZINC000510975578 564351872 /nfs/dbraw/zinc/35/18/72/564351872.db2.gz JQXUILWAPBVECP-UHFFFAOYSA-N 0 1 378.483 2.587 20 0 GFADMN C[C@H](N[C@@H](C)c1cnn(C)c1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000543506287 564353297 /nfs/dbraw/zinc/35/32/97/564353297.db2.gz ZANRYKFSDSCCJF-STQMWFEESA-N 0 1 379.302 2.880 20 0 GFADMN CCn1cc(Br)c(=O)c(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000543664767 564358429 /nfs/dbraw/zinc/35/84/29/564358429.db2.gz TXKCDJOBCJXMNH-UHFFFAOYSA-N 0 1 393.209 2.710 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567163526 564360442 /nfs/dbraw/zinc/36/04/42/564360442.db2.gz NWXQECBKAARSAZ-DGCLKSJQSA-N 0 1 379.400 2.991 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccccc1Br ZINC000511238569 564364189 /nfs/dbraw/zinc/36/41/89/564364189.db2.gz DUAJQCYTBFAYCH-UHFFFAOYSA-N 0 1 375.332 2.946 20 0 GFADMN Cc1nnc(N(C)C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)s1 ZINC000567326874 564366925 /nfs/dbraw/zinc/36/69/25/564366925.db2.gz USDPKBTUFKWBJZ-UHFFFAOYSA-N 0 1 379.239 2.727 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000543869013 564367773 /nfs/dbraw/zinc/36/77/73/564367773.db2.gz PQPZHHAJVRAVRA-UHFFFAOYSA-N 0 1 376.312 2.568 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1cnc(C)s1)c1ccc2ccccc2c1 ZINC000543979447 564370511 /nfs/dbraw/zinc/37/05/11/564370511.db2.gz MNNRDUZRBOVRCO-MRXNPFEDSA-N 0 1 376.459 2.797 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(F)ccc2Br)C1 ZINC000511498361 564373329 /nfs/dbraw/zinc/37/33/29/564373329.db2.gz YNKNZWKYRUSRMZ-OLZOCXBDSA-N 0 1 387.293 2.951 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000567557917 564376490 /nfs/dbraw/zinc/37/64/90/564376490.db2.gz RORMEEVOLCKAMZ-ZBFHGGJFSA-N 0 1 382.917 2.617 20 0 GFADMN CC(C)CN(C(=O)CN[C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511611747 564377759 /nfs/dbraw/zinc/37/77/59/564377759.db2.gz SPEWWRZSDRZBDB-GOSISDBHSA-N 0 1 383.330 2.893 20 0 GFADMN CCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000477673985 564383914 /nfs/dbraw/zinc/38/39/14/564383914.db2.gz AXILCIMKRJLLJB-XPTSAGLGSA-N 0 1 382.251 2.832 20 0 GFADMN CCc1n[nH]c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000477673985 564383918 /nfs/dbraw/zinc/38/39/18/564383918.db2.gz AXILCIMKRJLLJB-XPTSAGLGSA-N 0 1 382.251 2.832 20 0 GFADMN O=S(=O)(NCC[C@H](O)C(F)(F)F)c1c(Cl)cccc1C(F)(F)F ZINC000544611937 564390267 /nfs/dbraw/zinc/39/02/67/564390267.db2.gz YTOUNYFBXDEDHQ-QMMMGPOBSA-N 0 1 385.713 2.950 20 0 GFADMN C[C@@H](c1ccccc1Br)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452093150 564390784 /nfs/dbraw/zinc/39/07/84/564390784.db2.gz IMBSTMREGZAQNM-KSSFIOAISA-N 0 1 381.314 2.959 20 0 GFADMN Cc1c(Br)cccc1CN1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452102509 564392868 /nfs/dbraw/zinc/39/28/68/564392868.db2.gz VFJOHKYODQAUGS-GOSISDBHSA-N 0 1 381.314 2.707 20 0 GFADMN CCCCN(C(=O)c1cccc(C(F)(F)F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000567913052 564395519 /nfs/dbraw/zinc/39/55/19/564395519.db2.gz UVKCAVCRVADHSK-LLVKDONJSA-N 0 1 379.400 2.840 20 0 GFADMN C[C@H]1CCN(C)CCN1C(=O)c1cc(Br)cnc1OCC1CC1 ZINC000512254846 564396234 /nfs/dbraw/zinc/39/62/34/564396234.db2.gz YTAPKTYYOJIGTB-LBPRGKRZSA-N 0 1 382.302 2.799 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)C[C@H](C)N1C ZINC000452149689 564397188 /nfs/dbraw/zinc/39/71/88/564397188.db2.gz HJCKSQSWFCQUBQ-BETUJISGSA-N 0 1 377.286 2.799 20 0 GFADMN C[C@H](Sc1ccccc1C(=O)NC[C@@H](c1cccs1)N(C)C)C(N)=O ZINC000512314566 564398057 /nfs/dbraw/zinc/39/80/57/564398057.db2.gz HLWSHLPQIHCQGQ-JSGCOSHPSA-N 0 1 377.535 2.747 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](CCO)c2ccccc2Br)C1 ZINC000512350200 564398797 /nfs/dbraw/zinc/39/87/97/564398797.db2.gz JOIHGBYXXHQNPV-WOSRLPQWSA-N 0 1 390.343 2.818 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000544809652 564400112 /nfs/dbraw/zinc/40/01/12/564400112.db2.gz GRVAZSKDSBKCAO-SMDDNHRTSA-N 0 1 382.254 2.755 20 0 GFADMN COc1ccc(CNCCC(=O)Nc2ccccn2)c(Br)c1O ZINC000544839692 564401659 /nfs/dbraw/zinc/40/16/59/564401659.db2.gz ASHZRKJSZVVHCS-UHFFFAOYSA-N 0 1 380.242 2.677 20 0 GFADMN Cc1nnc(SCCC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)[nH]1 ZINC000478487659 564404888 /nfs/dbraw/zinc/40/48/88/564404888.db2.gz IBNLXNULJUTJGJ-NSHDSACASA-N 0 1 375.281 2.752 20 0 GFADMN Cn1c(=O)oc2c1cccc2NS(=O)(=O)c1ccc(Br)cc1 ZINC000512741864 564409667 /nfs/dbraw/zinc/40/96/67/564409667.db2.gz AWWSKBNSMQAWFS-UHFFFAOYSA-N 0 1 383.223 2.695 20 0 GFADMN CNC(=O)COc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(C)c1 ZINC000478702118 564412012 /nfs/dbraw/zinc/41/20/12/564412012.db2.gz NCHTZJAMYJLMKG-UHFFFAOYSA-N 0 1 386.832 2.713 20 0 GFADMN O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1CCCCN1CCO ZINC000452392201 564412956 /nfs/dbraw/zinc/41/29/56/564412956.db2.gz QVBIBBUQYYXEGL-LLVKDONJSA-N 0 1 393.336 2.981 20 0 GFADMN Fc1ccc(Br)cc1CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000512977323 564416802 /nfs/dbraw/zinc/41/68/02/564416802.db2.gz KBGNVIAYKIUHBC-CYBMUJFWSA-N 0 1 385.199 2.941 20 0 GFADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000568511098 564422314 /nfs/dbraw/zinc/42/23/14/564422314.db2.gz LYECEJDQYGJQES-QWRGUYRKSA-N 0 1 389.315 2.654 20 0 GFADMN COC[C@](C)(NS(=O)(=O)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000479168663 564429694 /nfs/dbraw/zinc/42/96/94/564429694.db2.gz RXWXTPMNBKYLOY-JTQLQIEISA-N 0 1 394.184 2.834 20 0 GFADMN CN(C)Cc1cc(-c2noc(Cn3cc(Br)cn3)n2)ccc1F ZINC000545747808 564431584 /nfs/dbraw/zinc/43/15/84/564431584.db2.gz MVCPNDJNSDKVIM-UHFFFAOYSA-N 0 1 380.221 2.945 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000452847576 564434363 /nfs/dbraw/zinc/43/43/63/564434363.db2.gz NKFPCMLIIGFVJZ-HOCLYGCPSA-N 0 1 381.314 2.733 20 0 GFADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000513702307 564436687 /nfs/dbraw/zinc/43/66/87/564436687.db2.gz HQNHUOSWWSWLPV-UHFFFAOYSA-N 0 1 379.189 2.804 20 0 GFADMN CC(C)N1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000513736831 564436832 /nfs/dbraw/zinc/43/68/32/564436832.db2.gz MSZDJAZCOCJDKR-AWEZNQCLSA-N 0 1 384.307 2.899 20 0 GFADMN C[C@@H](c1ccccc1Br)N(C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513897080 564441913 /nfs/dbraw/zinc/44/19/13/564441913.db2.gz KCWCHPMQIDMNGH-STQMWFEESA-N 0 1 375.332 2.723 20 0 GFADMN CC(C)N1CCc2nc(CNc3nnc(C4CCOCC4)s3)sc2C1 ZINC000453054054 564444916 /nfs/dbraw/zinc/44/49/16/564444916.db2.gz WDEMEGUBVMMZAW-UHFFFAOYSA-N 0 1 379.555 3.267 20 0 GFADMN CCc1[nH]nc(NCc2nc3c(s2)CN(C(C)C)CC3)c1Br ZINC000453050565 564445112 /nfs/dbraw/zinc/44/51/12/564445112.db2.gz VNKMIACCJYRBET-UHFFFAOYSA-N 0 1 384.347 3.570 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCN(C2CCC2)CC1 ZINC000514181165 564447049 /nfs/dbraw/zinc/44/70/49/564447049.db2.gz ZHEZEXIWGUYRSF-UHFFFAOYSA-N 0 1 386.359 2.639 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000546170824 564447997 /nfs/dbraw/zinc/44/79/97/564447997.db2.gz QZPBTVFMZJYYHN-UHFFFAOYSA-N 0 1 391.331 2.612 20 0 GFADMN CN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CN2CCC1CC2 ZINC000569131641 564450774 /nfs/dbraw/zinc/45/07/74/564450774.db2.gz YHNOXZNAEYAVMT-KRWDZBQOSA-N 0 1 389.297 2.801 20 0 GFADMN COC[C@@](C)(O)CCN[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453262242 564450765 /nfs/dbraw/zinc/45/07/65/564450765.db2.gz SNMWWEASNLJCDQ-SJCJKPOMSA-N 0 1 397.317 2.776 20 0 GFADMN CC[C@H]1CN(C)CCN1C(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000514686209 564454813 /nfs/dbraw/zinc/45/48/13/564454813.db2.gz UVUDANJOKNALDI-HNNXBMFYSA-N 0 1 397.317 2.513 20 0 GFADMN Cc1cc(-c2noc(Cn3cc(Br)ccc3=O)n2)cc2nc[nH]c21 ZINC000546434751 564455632 /nfs/dbraw/zinc/45/56/32/564455632.db2.gz HMNICYQOCQJLAZ-UHFFFAOYSA-N 0 1 386.209 2.894 20 0 GFADMN C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cncc(Br)c1 ZINC000514798596 564458120 /nfs/dbraw/zinc/45/81/20/564458120.db2.gz JQBHBMKTWMUABP-GWCFXTLKSA-N 0 1 382.224 2.758 20 0 GFADMN COC(=O)c1cn([C@H]2CCN(CCOc3cc(Cl)ccc3Cl)C2)nn1 ZINC000546935496 564474028 /nfs/dbraw/zinc/47/40/28/564474028.db2.gz OCOCEIYAEAIBDA-LBPRGKRZSA-N 0 1 385.251 2.697 20 0 GFADMN Cn1ncc(Br)c1CN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000515908957 564489605 /nfs/dbraw/zinc/48/96/05/564489605.db2.gz CRVPMNCDMKUSPJ-SNVBAGLBSA-N 0 1 397.239 2.606 20 0 GFADMN Cc1c(CN(C)C[C@H](O)COc2cc(F)cc(Br)c2)cnn1C ZINC000570075888 564490345 /nfs/dbraw/zinc/49/03/45/564490345.db2.gz DFRJXWBVJSYCGN-HNNXBMFYSA-N 0 1 386.265 2.502 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000481034204 564500867 /nfs/dbraw/zinc/50/08/67/564500867.db2.gz HRPFMLINOYXOBN-JTQLQIEISA-N 0 1 379.295 2.658 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)Nc1ccccc1I ZINC000454176613 564501350 /nfs/dbraw/zinc/50/13/50/564501350.db2.gz XIYVEHLNLJMBGK-UHFFFAOYSA-N 0 1 383.193 2.608 20 0 GFADMN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000516458250 564502243 /nfs/dbraw/zinc/50/22/43/564502243.db2.gz RSGSCXKEAJGBOM-SNVBAGLBSA-N 0 1 377.246 2.861 20 0 GFADMN O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454216597 564503011 /nfs/dbraw/zinc/50/30/11/564503011.db2.gz RHFICCAAPALFLT-GFCCVEGCSA-N 0 1 377.819 2.910 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516492875 564503558 /nfs/dbraw/zinc/50/35/58/564503558.db2.gz YTYWAQJCNBMEPY-UHFFFAOYSA-N 0 1 381.263 2.866 20 0 GFADMN CCCc1nnc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)s1 ZINC000454287716 564504977 /nfs/dbraw/zinc/50/49/77/564504977.db2.gz HZOMXMUZLGDCFT-UHFFFAOYSA-N 0 1 395.286 3.451 20 0 GFADMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCSC1 ZINC000481340813 564509888 /nfs/dbraw/zinc/50/98/88/564509888.db2.gz OKCJIFJLNPLKCS-ZDUSSCGKSA-N 0 1 386.436 2.560 20 0 GFADMN CC[C@@H](C)N(C)CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454465410 564510594 /nfs/dbraw/zinc/51/05/94/564510594.db2.gz KUWHZRMXYQDMSP-CQSZACIVSA-N 0 1 389.949 2.533 20 0 GFADMN O=S1(=O)CC[C@H](N[C@@H]2CCO[C@@H]2C2CC2)c2cc(Br)ccc21 ZINC000547827876 564512441 /nfs/dbraw/zinc/51/24/41/564512441.db2.gz UNIICDIAIGEDKY-SQWLQELKSA-N 0 1 386.311 2.825 20 0 GFADMN CN1CCN(C[C@@H](NS(=O)(=O)c2sccc2Cl)c2ccccc2)CC1 ZINC000570670124 564516362 /nfs/dbraw/zinc/51/63/62/564516362.db2.gz NBQNOCBTZUIKGT-MRXNPFEDSA-N 0 1 399.969 2.669 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000517142379 564525199 /nfs/dbraw/zinc/52/51/99/564525199.db2.gz QEGKMCLKPBBSAF-UHFFFAOYSA-N 0 1 394.313 2.783 20 0 GFADMN CC(C)(O)CN1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 ZINC000517321038 564530740 /nfs/dbraw/zinc/53/07/40/564530740.db2.gz QNYHBXBDRLSKMJ-UHFFFAOYSA-N 0 1 399.329 2.523 20 0 GFADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)CN(C)[C@H]1CCSC1 ZINC000482055857 564532459 /nfs/dbraw/zinc/53/24/59/564532459.db2.gz ZUHXPMSVHXDHBS-MFKMUULPSA-N 0 1 378.464 2.677 20 0 GFADMN CN(C)C(=O)C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000571073101 564534560 /nfs/dbraw/zinc/53/45/60/564534560.db2.gz WHIUSHHECVWFOW-OAHLLOKOSA-N 0 1 379.913 2.827 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)cc2I)[C@@H](C)C1 ZINC000571121768 564537412 /nfs/dbraw/zinc/53/74/12/564537412.db2.gz TUZTWHJUKQQKAA-PHIMTYICSA-N 0 1 390.240 2.985 20 0 GFADMN O=C(c1ccc(Br)c2c1OCCC2)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000517733935 564540923 /nfs/dbraw/zinc/54/09/23/564540923.db2.gz INOCNIJOCXWQSJ-SNVBAGLBSA-N 0 1 377.242 2.522 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2C)cn1 ZINC000517773201 564542249 /nfs/dbraw/zinc/54/22/49/564542249.db2.gz WCLZEKAFUADTJO-UHFFFAOYSA-N 0 1 385.239 2.740 20 0 GFADMN C[C@@H](NCCOc1cccc(S(C)(=O)=O)c1)c1ccc(Br)cn1 ZINC000482949309 564553516 /nfs/dbraw/zinc/55/35/16/564553516.db2.gz NNLQKBZEEWIIAL-GFCCVEGCSA-N 0 1 399.310 2.977 20 0 GFADMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000518702632 564560786 /nfs/dbraw/zinc/56/07/86/564560786.db2.gz PHAOEIRNSBVHHO-NSHDSACASA-N 0 1 384.274 2.794 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@]1(C)C(=O)[O-] ZINC000571649439 564560801 /nfs/dbraw/zinc/56/08/01/564560801.db2.gz QFVONNRSUDOGFX-PIGZYNQJSA-N 0 1 394.269 2.966 20 0 GFADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccncc2I)c1 ZINC000483602735 564570927 /nfs/dbraw/zinc/57/09/27/564570927.db2.gz RFTYERXQNVZUFG-UHFFFAOYSA-N 0 1 378.173 2.545 20 0 GFADMN CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCN1C[C@@H](C)O ZINC000455807917 564572269 /nfs/dbraw/zinc/57/22/69/564572269.db2.gz 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ZINC000484255835 564585088 /nfs/dbraw/zinc/58/50/88/564585088.db2.gz DMHNDCHQLNQEBB-SNVBAGLBSA-N 0 1 388.693 2.594 20 0 GFADMN O=S(=O)(NCc1nncn1-c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000519635357 564585209 /nfs/dbraw/zinc/58/52/09/564585209.db2.gz OJSFIHSVNJAFRX-UHFFFAOYSA-N 0 1 384.795 2.677 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)n[nH]1 ZINC000519776015 564590716 /nfs/dbraw/zinc/59/07/16/564590716.db2.gz XNGSTXSRDHQGHF-JTQLQIEISA-N 0 1 389.257 2.861 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCNCc1cnc(CCc2ccccc2)s1 ZINC000519801085 564590985 /nfs/dbraw/zinc/59/09/85/564590985.db2.gz YKUARDJGHILFRV-UHFFFAOYSA-N 0 1 381.567 2.736 20 0 GFADMN CS[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1N1CCCC1 ZINC000484641658 564593617 /nfs/dbraw/zinc/59/36/17/564593617.db2.gz QTUIWPUJTFTBFP-QZTJIDSGSA-N 0 1 386.558 2.501 20 0 GFADMN CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456371031 564603174 /nfs/dbraw/zinc/60/31/74/564603174.db2.gz MZGKPRCCKKSYQC-STQMWFEESA-N 0 1 384.318 2.953 20 0 GFADMN 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381.270 2.690 20 0 GFADMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ncc(I)s1 ZINC000573045257 564621212 /nfs/dbraw/zinc/62/12/12/564621212.db2.gz IAOMBZXNSHUIHD-NOZJJQNGSA-N 0 1 394.278 2.959 20 0 GFADMN O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1c(Cl)ccc(F)c1F ZINC000550824332 564632502 /nfs/dbraw/zinc/63/25/02/564632502.db2.gz GLLBJKHTNJZTHY-UHFFFAOYSA-N 0 1 389.807 2.910 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(Br)cc(F)c1F ZINC000573328463 564633695 /nfs/dbraw/zinc/63/36/95/564633695.db2.gz NNPFGWKRBPCEBW-CHWSQXEVSA-N 0 1 397.285 2.677 20 0 GFADMN C[C@@H](Cn1cc(Br)ccc1=O)NC1(C(=O)Nc2ccccc2)CC1 ZINC000550911092 564634637 /nfs/dbraw/zinc/63/46/37/564634637.db2.gz VRPKQIAQASZVPZ-ZDUSSCGKSA-N 0 1 390.281 2.760 20 0 GFADMN CN1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1(C)C ZINC000521894201 564638679 /nfs/dbraw/zinc/63/86/79/564638679.db2.gz LPTNDASBCJQVRC-UHFFFAOYSA-N 0 1 379.302 2.949 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000522008080 564641164 /nfs/dbraw/zinc/64/11/64/564641164.db2.gz 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/nfs/dbraw/zinc/11/91/62/565119162.db2.gz VMQJDDLCYAEZTE-GOSISDBHSA-N 0 1 388.265 2.794 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000657740203 565125801 /nfs/dbraw/zinc/12/58/01/565125801.db2.gz WLBZMILEJPLNIQ-GFCCVEGCSA-N 0 1 395.232 2.752 20 0 GFADMN CN1CCN(Cc2ccccc2)[C@H](CNCc2ncc(Br)s2)C1 ZINC000657800768 565131158 /nfs/dbraw/zinc/13/11/58/565131158.db2.gz KJQADQCMBUWEJZ-OAHLLOKOSA-N 0 1 395.370 2.811 20 0 GFADMN COC[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033782 565135104 /nfs/dbraw/zinc/13/51/04/565135104.db2.gz APIXHQVELMCGOA-DOMZBBRYSA-N 0 1 378.300 2.557 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N1CCCC[C@H]1C ZINC000588678243 565137491 /nfs/dbraw/zinc/13/74/91/565137491.db2.gz NLVDTLXTSYPTQX-CHWSQXEVSA-N 0 1 388.917 2.652 20 0 GFADMN COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000588678907 565137606 /nfs/dbraw/zinc/13/76/06/565137606.db2.gz CCSVQTLNWVGOEX-GFCCVEGCSA-N 0 1 376.469 2.762 20 0 GFADMN COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000588678907 565137609 /nfs/dbraw/zinc/13/76/09/565137609.db2.gz CCSVQTLNWVGOEX-GFCCVEGCSA-N 0 1 376.469 2.762 20 0 GFADMN CCc1nc(CNC(=O)N2CC(Cc3ccccc3Br)C2)n[nH]1 ZINC000637177336 565143448 /nfs/dbraw/zinc/14/34/48/565143448.db2.gz JBZPGMZNRNZSPE-UHFFFAOYSA-N 0 1 378.274 2.514 20 0 GFADMN CN1C[C@H]2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)[C@@H]2C1 ZINC000615182699 565149285 /nfs/dbraw/zinc/14/92/85/565149285.db2.gz ABYPDYASDOXABR-IUODEOHRSA-N 0 1 376.254 2.880 20 0 GFADMN CS(=O)(=O)Nc1ccc(C(=O)N2CCCc3cc(F)cc(Cl)c32)cn1 ZINC000637351714 565152259 /nfs/dbraw/zinc/15/22/59/565152259.db2.gz MMSUZUXPZREZRU-UHFFFAOYSA-N 0 1 383.832 2.839 20 0 GFADMN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658252304 565155973 /nfs/dbraw/zinc/15/59/73/565155973.db2.gz QBVFKNQQJDGWAN-MCCGJVOXSA-N 0 1 379.309 2.595 20 0 GFADMN CN(C)C[C@@H](NC(=O)NC[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472684 565158906 /nfs/dbraw/zinc/15/89/06/565158906.db2.gz HCXDAPMIARIUTG-ZBFHGGJFSA-N 0 1 392.352 2.763 20 0 GFADMN CN(C)C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000637474611 565159162 /nfs/dbraw/zinc/15/91/62/565159162.db2.gz RAXXBBWAZCAVPY-HNNXBMFYSA-N 0 1 387.311 2.503 20 0 GFADMN CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CCN(C)C1 ZINC000658359060 565161413 /nfs/dbraw/zinc/16/14/13/565161413.db2.gz DIQAHLPGMDYPAI-NSHDSACASA-N 0 1 377.794 2.850 20 0 GFADMN CCc1nc([C@H](C)NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)n[nH]1 ZINC000637650107 565166232 /nfs/dbraw/zinc/16/62/32/565166232.db2.gz IHVFYWFMYAFYTM-SVKVFRCMSA-N 0 1 390.285 2.828 20 0 GFADMN COc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)c(I)c1 ZINC000589851454 565171141 /nfs/dbraw/zinc/17/11/41/565171141.db2.gz YZVDQQQAPGABSW-CYBMUJFWSA-N 0 1 376.238 2.825 20 0 GFADMN CC(C)N(Cc1ccc(S(N)(=O)=O)c(Br)c1)Cc1ccccn1 ZINC000637955476 565179305 /nfs/dbraw/zinc/17/93/05/565179305.db2.gz KNCZHBADUPRQML-UHFFFAOYSA-N 0 1 398.326 2.902 20 0 GFADMN COc1cccc(C[C@H](N)C(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000638008700 565182284 /nfs/dbraw/zinc/18/22/84/565182284.db2.gz VTYAKZPZVPGSBK-SFHVURJKSA-N 0 1 389.293 2.912 20 0 GFADMN COc1cc(CN2CC[C@H](CN3CCOCC3)C2)c(F)cc1Br ZINC000638119460 565185036 /nfs/dbraw/zinc/18/50/36/565185036.db2.gz RPFRMIKRGRXLKZ-CYBMUJFWSA-N 0 1 387.293 2.751 20 0 GFADMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000638912065 565218395 /nfs/dbraw/zinc/21/83/95/565218395.db2.gz HPBSWXVEHAEVBJ-APPDUMDISA-N 0 1 386.876 2.992 20 0 GFADMN C[C@H](c1ccncc1)N(C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639041142 565221781 /nfs/dbraw/zinc/22/17/81/565221781.db2.gz SMOPDTMCZZAWDB-LLVKDONJSA-N 0 1 384.299 2.685 20 0 GFADMN COc1cc(Cl)c(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1OC ZINC000639073437 565223292 /nfs/dbraw/zinc/22/32/92/565223292.db2.gz CZAKSKGCVYSSNS-JTQLQIEISA-N 0 1 380.794 2.858 20 0 GFADMN CNS(=O)(=O)c1ccc(CN(C)Cc2ccc(Br)cc2)cc1 ZINC000659826269 565225462 /nfs/dbraw/zinc/22/54/62/565225462.db2.gz DTETUCRRYDPZGJ-UHFFFAOYSA-N 0 1 383.311 2.989 20 0 GFADMN COc1ccc(Br)cc1CN(C)CCc1nnn(C(C)(C)C)n1 ZINC000659827581 565225490 /nfs/dbraw/zinc/22/54/90/565225490.db2.gz SBBKSQGSAKNONX-UHFFFAOYSA-N 0 1 382.306 2.874 20 0 GFADMN Cc1cc(CNC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)no1 ZINC000591769807 565238856 /nfs/dbraw/zinc/23/88/56/565238856.db2.gz RVWNKWHICVEIRK-UHFFFAOYSA-N 0 1 391.229 2.530 20 0 GFADMN Cc1cc(CNC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)no1 ZINC000591769807 565238861 /nfs/dbraw/zinc/23/88/61/565238861.db2.gz RVWNKWHICVEIRK-UHFFFAOYSA-N 0 1 391.229 2.530 20 0 GFADMN C[C@]12CN(Cc3csc(-c4ccc(Cl)cc4)n3)C[C@]1(C)C(=O)NC2=O ZINC000639363081 565242648 /nfs/dbraw/zinc/24/26/48/565242648.db2.gz YGXDOIXBKFXZHT-QZTJIDSGSA-N 0 1 375.881 2.948 20 0 GFADMN CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1ccccc1Cl ZINC000660149740 565259823 /nfs/dbraw/zinc/25/98/23/565259823.db2.gz FLXZSWVYGYEMRV-INIZCTEOSA-N 0 1 386.945 2.745 20 0 GFADMN CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Br)CCN1 ZINC000660184402 565265284 /nfs/dbraw/zinc/26/52/84/565265284.db2.gz LIBUOGDKKFPYDF-LBPRGKRZSA-N 0 1 381.723 2.721 20 0 GFADMN COCc1nc(CNC(=O)CCCCc2ccc(Br)cc2)n[nH]1 ZINC000617937967 565269400 /nfs/dbraw/zinc/26/94/00/565269400.db2.gz IAYMSEGYELAYLD-UHFFFAOYSA-N 0 1 381.274 2.743 20 0 GFADMN COCc1nnc(CNC(=O)CCCCc2ccc(Br)cc2)[nH]1 ZINC000617937967 565269404 /nfs/dbraw/zinc/26/94/04/565269404.db2.gz IAYMSEGYELAYLD-UHFFFAOYSA-N 0 1 381.274 2.743 20 0 GFADMN CN(CC1CN(C)C1)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000618190175 565278366 /nfs/dbraw/zinc/27/83/66/565278366.db2.gz JSRHPHQOWGZNOF-UHFFFAOYSA-N 0 1 381.192 2.981 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000592559099 565282134 /nfs/dbraw/zinc/28/21/34/565282134.db2.gz XHIYKVLEGUPNQO-CYBMUJFWSA-N 0 1 385.339 2.697 20 0 GFADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000592550653 565282178 /nfs/dbraw/zinc/28/21/78/565282178.db2.gz AZKCKGREUOQFJP-LBPRGKRZSA-N 0 1 377.293 2.692 20 0 GFADMN COC(=O)[C@H]1CNCCCN1C(=O)CSCc1ccc(Cl)cc1Cl ZINC000592554887 565282208 /nfs/dbraw/zinc/28/22/08/565282208.db2.gz NUONCKBBQNQZOB-CQSZACIVSA-N 0 1 391.320 2.590 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000660567190 565282796 /nfs/dbraw/zinc/28/27/96/565282796.db2.gz LWWWCGKZTVZCHJ-ZDUSSCGKSA-N 0 1 378.274 2.593 20 0 GFADMN CS(=O)(=O)CC[C@@H]1CCCCN1CC[C@@H]1Sc2ccccc2NC1=O ZINC000660608971 565285709 /nfs/dbraw/zinc/28/57/09/565285709.db2.gz PCMHJQFRYMWYMI-YOEHRIQHSA-N 0 1 382.551 2.779 20 0 GFADMN O=C(NCc1nc(-c2ccncc2)no1)c1cccc(Br)c1O ZINC000592828600 565300004 /nfs/dbraw/zinc/30/00/04/565300004.db2.gz FNGVNIRUXGRCTE-UHFFFAOYSA-N 0 1 375.182 2.530 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000661140427 565310592 /nfs/dbraw/zinc/31/05/92/565310592.db2.gz IIQDHEJEFJQWPE-CYBMUJFWSA-N 0 1 382.295 2.565 20 0 GFADMN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000661436085 565323520 /nfs/dbraw/zinc/32/35/20/565323520.db2.gz AAEJSRQIJXRWKT-DOMZBBRYSA-N 0 1 389.359 2.952 20 0 GFADMN C[C@@H](NC(=O)CN1C[C@]2(C)COC[C@]2(C)C1)c1ccc(Br)cc1 ZINC000661497916 565325830 /nfs/dbraw/zinc/32/58/30/565325830.db2.gz GWKGRRHPFUUMAG-XWIAVFTESA-N 0 1 381.314 2.985 20 0 GFADMN CCN1CCN(CC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000619125565 565329875 /nfs/dbraw/zinc/32/98/75/565329875.db2.gz RZAIGZZTSKXRFU-UHFFFAOYSA-N 0 1 377.373 2.794 20 0 GFADMN O=C1[C@H](N2CCC[C@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632109 565332092 /nfs/dbraw/zinc/33/20/92/565332092.db2.gz NLJFSOZYKQMLCT-SJLPKXTDSA-N 0 1 379.298 2.791 20 0 GFADMN CN(C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661643968 565332823 /nfs/dbraw/zinc/33/28/23/565332823.db2.gz QTDLWQZIHFOYGI-DOMZBBRYSA-N 0 1 395.352 2.630 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2cc(I)sc21 ZINC000593471095 565334504 /nfs/dbraw/zinc/33/45/04/565334504.db2.gz XZTRGAFYSFVKGP-DTWKUNHWSA-N 0 1 388.278 2.825 20 0 GFADMN C[C@@H]1CN(c2ncnc3cc(I)sc32)C[C@H](C)N1C ZINC000593475479 565335722 /nfs/dbraw/zinc/33/57/22/565335722.db2.gz GRVGYLQHCRYPES-DTORHVGOSA-N 0 1 388.278 2.825 20 0 GFADMN CCc1noc([C@@H](C)n2cc([C@H](N)c3ccc(Br)cc3)nn2)n1 ZINC000640933081 565337653 /nfs/dbraw/zinc/33/76/53/565337653.db2.gz CNIRWBSNMMUTEQ-YMTOWFKASA-N 0 1 377.246 2.643 20 0 GFADMN N[C@@H](c1cn(CCOCC(F)(F)F)nn1)c1ccc(Br)cc1 ZINC000640985074 565340087 /nfs/dbraw/zinc/34/00/87/565340087.db2.gz DQFLZOYXAZJODG-GFCCVEGCSA-N 0 1 379.180 2.668 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641042475 565343952 /nfs/dbraw/zinc/34/39/52/565343952.db2.gz DGHVYDDEBFRZSF-LBPRGKRZSA-N 0 1 393.285 2.947 20 0 GFADMN CC(C)(C)N1CC[C@H](n2cc([C@@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641107424 565346224 /nfs/dbraw/zinc/34/62/24/565346224.db2.gz SEZPSEPIIVZKPB-GJZGRUSLSA-N 0 1 392.301 2.661 20 0 GFADMN COc1cc(Br)c(CN2CC[C@H](CN3CCCC3=O)C2)cc1OC ZINC000662061595 565348624 /nfs/dbraw/zinc/34/86/24/565348624.db2.gz UKZLHSKJYCWAMR-ZDUSSCGKSA-N 0 1 397.313 2.911 20 0 GFADMN Cc1cc(N2CCC[C@@H](N3CCC4(COC4)C3)C2=O)ccc1Br ZINC000662071993 565349150 /nfs/dbraw/zinc/34/91/50/565349150.db2.gz FDGAHDBNSFUXOP-MRXNPFEDSA-N 0 1 379.298 2.975 20 0 GFADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641300459 565360555 /nfs/dbraw/zinc/36/05/55/565360555.db2.gz BYNAKVBITMNUAS-OAHLLOKOSA-N 0 1 382.423 2.704 20 0 GFADMN NC(=O)NC(=O)CCCN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594044374 565373322 /nfs/dbraw/zinc/37/33/22/565373322.db2.gz QTYOCJCHWASGGR-UHFFFAOYSA-N 0 1 393.702 2.744 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H]2COC[C@H]2C1 ZINC000620156489 565373682 /nfs/dbraw/zinc/37/36/82/565373682.db2.gz QHEKFAJDHMPNLA-CHWSQXEVSA-N 0 1 376.254 2.948 20 0 GFADMN CC(C)(N)c1cc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)on1 ZINC000662872992 565388242 /nfs/dbraw/zinc/38/82/42/565388242.db2.gz SBNAJXTWIMPRTL-ZDUSSCGKSA-N 0 1 394.269 2.845 20 0 GFADMN O=C(c1csc(=NC2CC2)[nH]1)N1CCOc2cc(Br)ccc2C1 ZINC000620708653 565393789 /nfs/dbraw/zinc/39/37/89/565393789.db2.gz OJNYMNDBTKQSBF-UHFFFAOYSA-N 0 1 394.294 2.937 20 0 GFADMN COc1ccc(O)c(S(=O)(=O)Nc2nn(CC(F)(F)F)cc2Cl)c1 ZINC000641693079 565395808 /nfs/dbraw/zinc/39/58/08/565395808.db2.gz WSGYVXFFLMYWMD-UHFFFAOYSA-N 0 1 385.751 2.614 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000641951846 565402926 /nfs/dbraw/zinc/40/29/26/565402926.db2.gz CCYWCXSMBIBJGN-UHFFFAOYSA-N 0 1 390.870 2.521 20 0 GFADMN Clc1cc(Cn2cc(CNC3CC3)nn2)ccc1I ZINC000594656403 565404343 /nfs/dbraw/zinc/40/43/43/565404343.db2.gz YIFUYSXGPCAJHF-UHFFFAOYSA-N 0 1 388.640 2.836 20 0 GFADMN CN(C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)c1cccc(F)c1 ZINC000621261862 565413170 /nfs/dbraw/zinc/41/31/70/565413170.db2.gz GYTJFUVMNWINMY-AWEZNQCLSA-N 0 1 382.233 2.722 20 0 GFADMN CNS(=O)(=O)CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000621259415 565413482 /nfs/dbraw/zinc/41/34/82/565413482.db2.gz UQJYRJKJGCTPPF-UHFFFAOYSA-N 0 1 381.325 2.633 20 0 GFADMN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1nccn1C ZINC000663369684 565414836 /nfs/dbraw/zinc/41/48/36/565414836.db2.gz DZBKTQCLKFMTAE-ZYHUDNBSSA-N 0 1 388.693 2.927 20 0 GFADMN C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000642588558 565414941 /nfs/dbraw/zinc/41/49/41/565414941.db2.gz HNQJRUXXPCJQOF-VIFPVBQESA-N 0 1 375.841 2.944 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000594771320 565419270 /nfs/dbraw/zinc/41/92/70/565419270.db2.gz VCAHXBFLEHDCBX-OAHLLOKOSA-N 0 1 387.343 2.829 20 0 GFADMN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCc2ccc(I)cc21 ZINC000595018699 565443210 /nfs/dbraw/zinc/44/32/10/565443210.db2.gz DPUZTCWMVYPQSO-QMTHXVAHSA-N 0 1 393.290 2.691 20 0 GFADMN O=C(NCc1ccc(Br)cc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000664024930 565449293 /nfs/dbraw/zinc/44/92/93/565449293.db2.gz ORLDJYNAMATPKL-QGZVFWFLSA-N 0 1 396.329 2.845 20 0 GFADMN Cc1cc(CNC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)n[nH]1 ZINC000664176797 565454817 /nfs/dbraw/zinc/45/48/17/565454817.db2.gz HYIMZMCPKTVVAD-OAHLLOKOSA-N 0 1 379.258 2.764 20 0 GFADMN COC(=O)c1oc(S(=O)(=O)NCc2ccccc2C(F)(F)F)cc1C ZINC000595305419 565462173 /nfs/dbraw/zinc/46/21/73/565462173.db2.gz GIPJCHRYSLORGT-UHFFFAOYSA-N 0 1 377.340 2.872 20 0 GFADMN COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000595476434 565478735 /nfs/dbraw/zinc/47/87/35/565478735.db2.gz RCOUOOYJNINBPJ-GXFFZTMASA-N 0 1 396.241 2.631 20 0 GFADMN COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000595476434 565478741 /nfs/dbraw/zinc/47/87/41/565478741.db2.gz RCOUOOYJNINBPJ-GXFFZTMASA-N 0 1 396.241 2.631 20 0 GFADMN COC(=O)[C@H](c1ccccc1Br)N1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000595546715 565482220 /nfs/dbraw/zinc/48/22/20/565482220.db2.gz QJSNOFGTLDBDPW-RISCZKNCSA-N 0 1 379.258 2.579 20 0 GFADMN COC(=O)[C@H](c1ccccc1Br)N1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000595546715 565482224 /nfs/dbraw/zinc/48/22/24/565482224.db2.gz QJSNOFGTLDBDPW-RISCZKNCSA-N 0 1 379.258 2.579 20 0 GFADMN Cn1nc(CNC[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 ZINC000644622994 565485486 /nfs/dbraw/zinc/48/54/86/565485486.db2.gz VXEKRCOINXCELD-CQSZACIVSA-N 0 1 390.281 2.865 20 0 GFADMN COc1ccc(CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)c(OC)n1 ZINC000644651516 565487917 /nfs/dbraw/zinc/48/79/17/565487917.db2.gz SWYUJZMQSYIMPH-LBPRGKRZSA-N 0 1 387.263 2.935 20 0 GFADMN CN(Cc1ccc(I)c(Cl)c1)C[C@H]1COCCO1 ZINC000595738566 565490044 /nfs/dbraw/zinc/49/00/44/565490044.db2.gz WJMQANOAIOFPFT-NSHDSACASA-N 0 1 381.641 2.792 20 0 GFADMN O=S(=O)(CCNCc1ccsc1C(F)(F)F)NCc1ccccc1 ZINC000623378868 565507141 /nfs/dbraw/zinc/50/71/41/565507141.db2.gz VFSZFAARCIQRSL-UHFFFAOYSA-N 0 1 378.441 2.976 20 0 GFADMN O=S(=O)(C[C@H](O)CNCc1csc(C(F)(F)F)c1)c1cccs1 ZINC000623470281 565512788 /nfs/dbraw/zinc/51/27/88/565512788.db2.gz HHUSTTFUXQWYEV-SNVBAGLBSA-N 0 1 385.454 2.753 20 0 GFADMN OC[C@@]1([C@H](NCc2nc3cc(Br)ccc3[nH]2)C2CC2)CCCO1 ZINC000645266514 565518868 /nfs/dbraw/zinc/51/88/68/565518868.db2.gz JFVYPDJYEHCDJN-IAGOWNOFSA-N 0 1 380.286 2.735 20 0 GFADMN COCc1nc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000666119906 565524219 /nfs/dbraw/zinc/52/42/19/565524219.db2.gz YVPLXSSCMQNGHU-ZDUSSCGKSA-N 0 1 394.273 2.760 20 0 GFADMN COCc1nnc(CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)[nH]1 ZINC000666119906 565524223 /nfs/dbraw/zinc/52/42/23/565524223.db2.gz YVPLXSSCMQNGHU-ZDUSSCGKSA-N 0 1 394.273 2.760 20 0 GFADMN CN(CC1CN(C)C1)C(=O)Nc1c(F)cc(I)cc1F ZINC000596933863 565543068 /nfs/dbraw/zinc/54/30/68/565543068.db2.gz QQEWGMSQNKUCHQ-UHFFFAOYSA-N 0 1 395.191 2.595 20 0 GFADMN CSCC1(Cc2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)CC1 ZINC000596610811 565529662 /nfs/dbraw/zinc/52/96/62/565529662.db2.gz GLZHNVUXPPGAHR-UHFFFAOYSA-N 0 1 393.943 2.949 20 0 GFADMN Fc1ccc(Br)c(CNC[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000623782191 565530751 /nfs/dbraw/zinc/53/07/51/565530751.db2.gz LHDCNHQMAINIKL-KRWDZBQOSA-N 0 1 394.288 2.974 20 0 GFADMN COC(=O)c1c(Br)ccc(NC(=O)N(C)CC2CN(C)C2)c1C ZINC000596871179 565539017 /nfs/dbraw/zinc/53/90/17/565539017.db2.gz FXUIPMULVAYKRU-UHFFFAOYSA-N 0 1 384.274 2.569 20 0 GFADMN O=C(NC[C@@H]1CCN1Cc1ccccc1)Nc1ccncc1Br ZINC000666492219 565540544 /nfs/dbraw/zinc/54/05/44/565540544.db2.gz BDSXBUZLKDQWDI-AWEZNQCLSA-N 0 1 375.270 2.662 20 0 GFADMN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645615432 565543531 /nfs/dbraw/zinc/54/35/31/565543531.db2.gz OOJSGXJYBNFJDR-CYBMUJFWSA-N 0 1 379.448 2.747 20 0 GFADMN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645615432 565543537 /nfs/dbraw/zinc/54/35/37/565543537.db2.gz OOJSGXJYBNFJDR-CYBMUJFWSA-N 0 1 379.448 2.747 20 0 GFADMN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000624137039 565545482 /nfs/dbraw/zinc/54/54/82/565545482.db2.gz AIGCVDLVHBLEQK-ZLKJLUDKSA-N 0 1 380.432 2.938 20 0 GFADMN Cc1c(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)coc1C(=O)N(C)C ZINC000645633715 565546017 /nfs/dbraw/zinc/54/60/17/565546017.db2.gz LPFFMJVNZWCKRY-CYBMUJFWSA-N 0 1 382.404 2.689 20 0 GFADMN O=C(NCCCCN1CCOCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624176200 565546832 /nfs/dbraw/zinc/54/68/32/565546832.db2.gz GEIUMHAUGDSOSC-BPQIPLTHSA-N 0 1 393.325 2.563 20 0 GFADMN O=C(Nc1nnc(-c2ccco2)s1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000666971291 565564477 /nfs/dbraw/zinc/56/44/77/565564477.db2.gz UNARKLYLEGPKAX-RKDXNWHRSA-N 0 1 377.344 2.721 20 0 GFADMN COc1cc(Br)c(NC(=O)[C@@H]2CCCc3n[nH]nc32)cc1OC ZINC000667044807 565566980 /nfs/dbraw/zinc/56/69/80/565566980.db2.gz QXBVCOMEAJCUEF-MRVPVSSYSA-N 0 1 381.230 2.643 20 0 GFADMN COCCN1CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000667194734 565576050 /nfs/dbraw/zinc/57/60/50/565576050.db2.gz BTNONZZZNMHRGJ-UHFFFAOYSA-N 0 1 399.329 2.787 20 0 GFADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCC2(CN(C)C2)C1 ZINC000646021224 565582478 /nfs/dbraw/zinc/58/24/78/565582478.db2.gz SSFKHSKVIWFOGS-UHFFFAOYSA-N 0 1 376.298 2.945 20 0 GFADMN O=C(CCCCc1ccc(Br)cc1)NC[C@H]1CN2CCN1CCC2 ZINC000646121396 565587810 /nfs/dbraw/zinc/58/78/10/565587810.db2.gz FUYTWMWCCLFOEB-SFHVURJKSA-N 0 1 394.357 2.668 20 0 GFADMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000667501205 565589991 /nfs/dbraw/zinc/58/99/91/565589991.db2.gz QELMQEVNCFPDTR-LBPRGKRZSA-N 0 1 388.281 2.817 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cncc(Br)c2C)C1 ZINC000667544075 565593089 /nfs/dbraw/zinc/59/30/89/565593089.db2.gz VFENRFTYGBEEHU-GXTWGEPZSA-N 0 1 384.318 2.516 20 0 GFADMN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531001 565593342 /nfs/dbraw/zinc/59/33/42/565593342.db2.gz SDMMPINMPYENHJ-CYBMUJFWSA-N 0 1 392.301 2.737 20 0 GFADMN C[C@@H]1COCCN1C1CCN(C(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000646322770 565596820 /nfs/dbraw/zinc/59/68/20/565596820.db2.gz YCOIODROGBWDHD-CYBMUJFWSA-N 0 1 399.304 2.842 20 0 GFADMN COC(=O)[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1Br ZINC000598184052 565598936 /nfs/dbraw/zinc/59/89/36/565598936.db2.gz KSJIEPLRFRXEQE-XHBSWPGZSA-N 0 1 383.286 2.652 20 0 GFADMN COc1cc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cc(Br)c1OC ZINC000667744978 565603715 /nfs/dbraw/zinc/60/37/15/565603715.db2.gz CYOGROCRRIXWCF-NSHDSACASA-N 0 1 394.269 2.611 20 0 GFADMN CN(C)C1(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000667778583 565605203 /nfs/dbraw/zinc/60/52/03/565605203.db2.gz ILHBDRGAYNOQIR-UHFFFAOYSA-N 0 1 394.313 2.720 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2cccc(Br)c2F)CCN1CC(C)(C)O ZINC000667921208 565613871 /nfs/dbraw/zinc/61/38/71/565613871.db2.gz ZHAIIYCDSVPNKK-LLVKDONJSA-N 0 1 388.281 2.897 20 0 GFADMN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nc3ccc(I)cc3[nH]2)O1 ZINC000598428070 565616592 /nfs/dbraw/zinc/61/65/92/565616592.db2.gz LOAKMUUCHHZIBE-SXMVTHIZSA-N 0 1 385.205 2.920 20 0 GFADMN O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1ncccc1Br ZINC000625367008 565623174 /nfs/dbraw/zinc/62/31/74/565623174.db2.gz MHRIZVUOMCYDAR-CYBMUJFWSA-N 0 1 388.331 2.529 20 0 GFADMN Cc1nnc(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)[nH]1 ZINC000668209602 565631995 /nfs/dbraw/zinc/63/19/95/565631995.db2.gz GNGDDCCQHWBWHT-QMMMGPOBSA-N 0 1 398.208 2.769 20 0 GFADMN Cc1n[nH]c(NC(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)n1 ZINC000668209602 565631996 /nfs/dbraw/zinc/63/19/96/565631996.db2.gz GNGDDCCQHWBWHT-QMMMGPOBSA-N 0 1 398.208 2.769 20 0 GFADMN O=C(CCN1CCN(Cc2cn[nH]c2)CC1)Nc1c(Cl)cccc1Cl ZINC000625476116 565632283 /nfs/dbraw/zinc/63/22/83/565632283.db2.gz JZYFRJDNMUUODB-UHFFFAOYSA-N 0 1 382.295 2.863 20 0 GFADMN COCCOc1ccc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)cc1F ZINC000647125262 565637709 /nfs/dbraw/zinc/63/77/09/565637709.db2.gz JDQRGPGYUZGVGI-UHFFFAOYSA-N 0 1 390.820 2.709 20 0 GFADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000647124833 565637717 /nfs/dbraw/zinc/63/77/17/565637717.db2.gz BCUFCWNWCMVOSF-UHFFFAOYSA-N 0 1 383.857 2.684 20 0 GFADMN COc1ncc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1Cl ZINC000647123552 565637877 /nfs/dbraw/zinc/63/78/77/565637877.db2.gz FJKKMPPBQRHFJQ-UHFFFAOYSA-N 0 1 381.841 2.893 20 0 GFADMN CO[C@H](CS(=O)(=O)Nc1sc(C)nc1CC(C)C)C1CCOCC1 ZINC000647128420 565638981 /nfs/dbraw/zinc/63/89/81/565638981.db2.gz BACXOEKLXHBBDL-OAHLLOKOSA-N 0 1 376.544 2.833 20 0 GFADMN Cc1cc(C)c(C(=O)NC[C@H](C)N2CCN(C)CC2)c(C)c1Br ZINC000625569929 565639973 /nfs/dbraw/zinc/63/99/73/565639973.db2.gz INVPXGKMJJNMFP-AWEZNQCLSA-N 0 1 382.346 2.740 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000598793248 565642661 /nfs/dbraw/zinc/64/26/61/565642661.db2.gz YMJIUIOWINHFNJ-GXTWGEPZSA-N 0 1 387.307 2.735 20 0 GFADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000647184724 565644606 /nfs/dbraw/zinc/64/46/06/565644606.db2.gz ZSBQOFMOHJTCHD-DIFFPNOSSA-N 0 1 386.876 2.992 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@H]1CCNC1=O ZINC000668425377 565647598 /nfs/dbraw/zinc/64/75/98/565647598.db2.gz QHESWUIRTVLTIJ-HNNXBMFYSA-N 0 1 377.286 2.736 20 0 GFADMN O=S(=O)([N-][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)sc1Cl ZINC000647303218 565655737 /nfs/dbraw/zinc/65/57/37/565655737.db2.gz NGIAFDCUPAMZCN-MRVPVSSYSA-N 0 1 385.736 2.584 20 0 GFADMN O=S(=O)([N-][C@H]1C[NH2+]CCC1(F)F)c1cc(C(F)(F)F)ccc1Cl ZINC000647319146 565656774 /nfs/dbraw/zinc/65/67/74/565656774.db2.gz NUMZJUHRSUUNNP-JTQLQIEISA-N 0 1 378.750 2.634 20 0 GFADMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)NCCc1cc(Cl)cc(Cl)c1 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GFADMN COCCN1CCC[C@@H](NC(=O)c2c(C)c(C)sc2Br)C1 ZINC000669602388 565695970 /nfs/dbraw/zinc/69/59/70/565695970.db2.gz YETRVYGLJSZUQV-GFCCVEGCSA-N 0 1 375.332 2.968 20 0 GFADMN O=C(NCc1cc2c([nH]c1=O)CCC2)c1cc(Br)cc2nc[nH]c21 ZINC000669704761 565699588 /nfs/dbraw/zinc/69/95/88/565699588.db2.gz XFDRPPIOECOAAO-UHFFFAOYSA-N 0 1 387.237 2.845 20 0 GFADMN CCSc1cccc(Br)c1NC(=O)NCCN1CC[C@H](O)C1 ZINC000626569023 565701146 /nfs/dbraw/zinc/70/11/46/565701146.db2.gz RMKOEZMXCBMTCF-NSHDSACASA-N 0 1 388.331 2.749 20 0 GFADMN CC[C@H](CN(C)C(=O)NC[C@@H]1COCCN1)Oc1ccc(Cl)c(Cl)c1 ZINC000627188118 565726342 /nfs/dbraw/zinc/72/63/42/565726342.db2.gz LLBGCWPQKZJMDR-CHWSQXEVSA-N 0 1 390.311 2.781 20 0 GFADMN C[C@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CC[N@H+](C2CC2)C1 ZINC000648916968 565739288 /nfs/dbraw/zinc/73/92/88/565739288.db2.gz SCNJDPPMFIHXMA-GFCCVEGCSA-N 0 1 391.313 2.892 20 0 GFADMN CN(CC(=O)Nc1nc2cc(I)ccc2[nH]1)C1CCC1 ZINC000600828654 565751912 /nfs/dbraw/zinc/75/19/12/565751912.db2.gz 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/nfs/dbraw/zinc/79/46/82/565794682.db2.gz UPVXXJPJDGPKFD-CYBMUJFWSA-N 0 1 386.323 2.598 20 0 GFADMN CC[C@@H](CO)N1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000672225099 565800035 /nfs/dbraw/zinc/80/00/35/565800035.db2.gz QPEQKOVBNPNFID-LBPRGKRZSA-N 0 1 397.342 2.861 20 0 GFADMN O=S(=O)(NC[C@H](CO)c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000672429229 565808290 /nfs/dbraw/zinc/80/82/90/565808290.db2.gz LXNKBCDXMODRLQ-SNVBAGLBSA-N 0 1 379.787 2.812 20 0 GFADMN CCN1CCN(C(=O)Nc2ccc3nccnc3c2Br)C[C@@H]1C ZINC000672815761 565818503 /nfs/dbraw/zinc/81/85/03/565818503.db2.gz WOTMXMKYZWGEGT-NSHDSACASA-N 0 1 378.274 2.950 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@H+](C)CC(C)C ZINC000650439137 565820947 /nfs/dbraw/zinc/82/09/47/565820947.db2.gz IKRMUVJCTGKXMD-UHFFFAOYSA-N 0 1 376.906 2.603 20 0 GFADMN CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000650439395 565821235 /nfs/dbraw/zinc/82/12/35/565821235.db2.gz XRIDYCCKRNLTLJ-UHFFFAOYSA-N 0 1 384.523 2.856 20 0 GFADMN CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000650669117 565830388 /nfs/dbraw/zinc/83/03/88/565830388.db2.gz LOIITLOCZSIWRF-LBPRGKRZSA-N 0 1 386.539 2.506 20 0 GFADMN CCOC1(CS(=O)(=O)Nc2cc(Cl)cnc2OC(C)C)CCOCC1 ZINC000629300595 565838063 /nfs/dbraw/zinc/83/80/63/565838063.db2.gz NOQMPJVQYYLVTI-UHFFFAOYSA-N 0 1 392.905 2.850 20 0 GFADMN CC(C)OCCN1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000673697078 565843942 /nfs/dbraw/zinc/84/39/42/565843942.db2.gz NSISGCMSVZGBAJ-OAHLLOKOSA-N 0 1 391.339 2.776 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC000629416327 565850788 /nfs/dbraw/zinc/85/07/88/565850788.db2.gz KGVWCLYLUOOITL-UHFFFAOYSA-N 0 1 377.432 2.879 20 0 GFADMN CC(C)Oc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)ccc1Br ZINC000651335698 565857337 /nfs/dbraw/zinc/85/73/37/565857337.db2.gz WUCXZSRVRXLFEI-AWEZNQCLSA-N 0 1 398.345 2.602 20 0 GFADMN O=C1C[C@H](NCc2ccc(Cl)cc2I)CCCN1 ZINC000602636132 565859886 /nfs/dbraw/zinc/85/98/86/565859886.db2.gz 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/nfs/dbraw/zinc/86/49/62/565864962.db2.gz UIDUWTVFWQDZMJ-UHFFFAOYSA-N 0 1 381.270 2.914 20 0 GFADMN COC[C@]1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000629908312 565875228 /nfs/dbraw/zinc/87/52/28/565875228.db2.gz PRMBGUDYUNQDPG-KRWDZBQOSA-N 0 1 394.269 2.717 20 0 GFADMN COCC1(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC1 ZINC000651577372 565875380 /nfs/dbraw/zinc/87/53/80/565875380.db2.gz JLUDASZDOGJKND-DOTOQJQBSA-N 0 1 386.583 2.867 20 0 GFADMN COCC1(CS(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCC1 ZINC000651577372 565875385 /nfs/dbraw/zinc/87/53/85/565875385.db2.gz JLUDASZDOGJKND-DOTOQJQBSA-N 0 1 386.583 2.867 20 0 GFADMN Cc1nc(-c2cccs2)sc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000630223197 565888356 /nfs/dbraw/zinc/88/83/56/565888356.db2.gz INRGTVSFZXDZDK-LLVKDONJSA-N 0 1 379.507 2.801 20 0 GFADMN O=C(CCC1(O)CCC1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000630895667 565925634 /nfs/dbraw/zinc/92/56/34/565925634.db2.gz OQSAKBADNVPRMK-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN O=C(CCC1(O)CCC1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000630895667 565925639 /nfs/dbraw/zinc/92/56/39/565925639.db2.gz OQSAKBADNVPRMK-UHFFFAOYSA-N 0 1 379.258 2.546 20 0 GFADMN CC(C)c1nc(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)n[nH]1 ZINC000652390840 565928574 /nfs/dbraw/zinc/92/85/74/565928574.db2.gz NSFFHMDHOYTBKK-NSHDSACASA-N 0 1 379.258 2.873 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(F)ccc1Br ZINC000676416716 565936674 /nfs/dbraw/zinc/93/66/74/565936674.db2.gz ZPJMFNSURUYVKU-GFCCVEGCSA-N 0 1 379.295 2.741 20 0 GFADMN CCc1cc(N2CCC[C@@H](NCc3ccncc3Br)C2)ncn1 ZINC000631072428 565937849 /nfs/dbraw/zinc/93/78/49/565937849.db2.gz VJOIHFZUKDZBNL-OAHLLOKOSA-N 0 1 376.302 2.955 20 0 GFADMN C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)[N@@H+]1CCc2sccc2C1 ZINC000604801518 565937934 /nfs/dbraw/zinc/93/79/34/565937934.db2.gz YKDGHXALOQXRNU-NSHDSACASA-N 0 1 379.555 2.887 20 0 GFADMN C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)[N@H+]1CCc2sccc2C1 ZINC000604801518 565937940 /nfs/dbraw/zinc/93/79/40/565937940.db2.gz YKDGHXALOQXRNU-NSHDSACASA-N 0 1 379.555 2.887 20 0 GFADMN COc1cc(CNCC2(CS(C)(=O)=O)CC2)c(F)cc1Br ZINC000631081850 565938748 /nfs/dbraw/zinc/93/87/48/565938748.db2.gz DPBOQDNNOJRFHZ-UHFFFAOYSA-N 0 1 380.279 2.511 20 0 GFADMN Clc1ccc2sc(CCNCc3cn(C[C@H]4CCOC4)nn3)nc2c1 ZINC000631088633 565940119 /nfs/dbraw/zinc/94/01/19/565940119.db2.gz ORQAUQWCGBJMBG-GFCCVEGCSA-N 0 1 377.901 2.910 20 0 GFADMN COc1sc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000676568598 565943163 /nfs/dbraw/zinc/94/31/63/565943163.db2.gz JNRKFCPHVYXQTG-RNCFNFMXSA-N 0 1 399.314 2.536 20 0 GFADMN C[C@@H](CO)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000652858364 565944551 /nfs/dbraw/zinc/94/45/51/565944551.db2.gz RKXSQFSWWCRDNV-NSHDSACASA-N 0 1 393.281 2.771 20 0 GFADMN C[C@H](CO)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000652858363 565944933 /nfs/dbraw/zinc/94/49/33/565944933.db2.gz RKXSQFSWWCRDNV-LLVKDONJSA-N 0 1 393.281 2.771 20 0 GFADMN COc1cc(CNCc2n[nH]c([C@H]3CCCO3)n2)c(F)cc1Br ZINC000631168778 565945827 /nfs/dbraw/zinc/94/58/27/565945827.db2.gz KAOBIOJOGSWUOF-GFCCVEGCSA-N 0 1 385.237 2.856 20 0 GFADMN OCC[C@@H](NCc1cnc(N2CCOCC2)s1)c1ccc(Cl)c(F)c1 ZINC000631189600 565947422 /nfs/dbraw/zinc/94/74/22/565947422.db2.gz CODNJOYHGUHJOZ-MRXNPFEDSA-N 0 1 385.892 2.986 20 0 GFADMN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccc(Br)c1O ZINC000605181603 565948241 /nfs/dbraw/zinc/94/82/41/565948241.db2.gz SXMKVKTXOLRARO-AWEZNQCLSA-N 0 1 393.237 2.669 20 0 GFADMN Cc1nc(CN2CCN(C(=O)c3cc4c(cccc4Cl)s3)CC2)n[nH]1 ZINC000605526896 565952688 /nfs/dbraw/zinc/95/26/88/565952688.db2.gz LHEQDTRLGSFBJZ-UHFFFAOYSA-N 0 1 375.885 2.939 20 0 GFADMN Brc1ccc(-c2nc(CNc3ncnc4nccnc43)n[nH]2)cc1 ZINC000677002262 565958582 /nfs/dbraw/zinc/95/85/82/565958582.db2.gz DFSWCKMLSGATRE-UHFFFAOYSA-N 0 1 383.213 2.580 20 0 GFADMN Brc1ccc(-c2n[nH]c(CNc3ncnc4nccnc43)n2)cc1 ZINC000677002262 565958584 /nfs/dbraw/zinc/95/85/84/565958584.db2.gz DFSWCKMLSGATRE-UHFFFAOYSA-N 0 1 383.213 2.580 20 0 GFADMN CCN1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000677194803 565964284 /nfs/dbraw/zinc/96/42/84/565964284.db2.gz KEUIDNZRCASZIL-CABCVRRESA-N 0 1 382.346 2.822 20 0 GFADMN [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)C1 ZINC000653348508 565964929 /nfs/dbraw/zinc/96/49/29/565964929.db2.gz JHGGURFMKWRDMP-IOASZLSFSA-N 0 1 383.286 2.513 20 0 GFADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000631812911 565977215 /nfs/dbraw/zinc/97/72/15/565977215.db2.gz GXXUHLPGABQBFN-ZDUSSCGKSA-N 0 1 382.423 2.704 20 0 GFADMN CC(C)COC[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccco1 ZINC000631869942 565978907 /nfs/dbraw/zinc/97/89/07/565978907.db2.gz ZUUDSWAMZAXVFC-JTQLQIEISA-N 0 1 381.376 2.714 20 0 GFADMN COc1ccc(Br)cc1[C@H]1CCCN1S(=O)(=O)c1ncc[nH]1 ZINC000631870443 565979197 /nfs/dbraw/zinc/97/91/97/565979197.db2.gz OEAORCVYYFOQCE-GFCCVEGCSA-N 0 1 386.271 2.707 20 0 GFADMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1cccc2nsnc21 ZINC000607286323 565983133 /nfs/dbraw/zinc/98/31/33/565983133.db2.gz MDLUINZBUWUYLI-UHFFFAOYSA-N 0 1 382.555 2.824 20 0 GFADMN CN(CC(=O)N1CCc2sc(Br)cc2C1)[C@@H]1CCSC1 ZINC000677921740 565988491 /nfs/dbraw/zinc/98/84/91/565988491.db2.gz CZGXFAYRNDKOJW-LLVKDONJSA-N 0 1 375.357 2.833 20 0 GFADMN COc1ccc(Br)c(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000653960512 565990127 /nfs/dbraw/zinc/99/01/27/565990127.db2.gz TZFRGLOEZQLEFB-GFCCVEGCSA-N 0 1 396.245 2.749 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000608128713 566004821 /nfs/dbraw/zinc/00/48/21/566004821.db2.gz DAVZBAXXCSBQIU-NWDGAFQWSA-N 0 1 375.332 2.841 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)NCc1ccc(Br)c(F)c1 ZINC000654412230 566008601 /nfs/dbraw/zinc/00/86/01/566008601.db2.gz XVTPQKGLGFBCRT-GFCCVEGCSA-N 0 1 398.236 2.557 20 0 GFADMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3O)cc2[nH]1 ZINC000608342411 566010780 /nfs/dbraw/zinc/01/07/80/566010780.db2.gz XQUWMEHHMWUUHC-UHFFFAOYSA-N 0 1 384.211 2.537 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)sc1C ZINC000632407924 566029649 /nfs/dbraw/zinc/02/96/49/566029649.db2.gz LLRZPOXDYQYSSK-UHFFFAOYSA-N 0 1 381.361 2.924 20 0 GFADMN CS(=O)(=O)c1ccc(-c2nc(CNC3(CO)CCCCC3)cs2)cc1 ZINC000678974628 566026391 /nfs/dbraw/zinc/02/63/91/566026391.db2.gz UQGSCZZAHIKXMQ-UHFFFAOYSA-N 0 1 380.535 2.998 20 0 GFADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(F)ccc2Br)n[nH]1 ZINC000632395947 566028510 /nfs/dbraw/zinc/02/85/10/566028510.db2.gz XSBYQUJGBXGUAO-SECBINFHSA-N 0 1 376.251 2.529 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000632408189 566029639 /nfs/dbraw/zinc/02/96/39/566029639.db2.gz WQDCLGUXVNINOY-UHFFFAOYSA-N 0 1 379.295 2.693 20 0 GFADMN O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(N2CCCOCC2)CC1 ZINC000632452565 566034889 /nfs/dbraw/zinc/03/48/89/566034889.db2.gz ZKJYIJKYGSXTME-UHFFFAOYSA-N 0 1 399.365 2.930 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000655040358 566036352 /nfs/dbraw/zinc/03/63/52/566036352.db2.gz PWOADZHYHBHIQU-SNVBAGLBSA-N 0 1 390.241 2.717 20 0 GFADMN CC(C)N([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632499727 566039528 /nfs/dbraw/zinc/03/95/28/566039528.db2.gz PVDBHJKJRSVWLB-HNNXBMFYSA-N 0 1 381.523 2.522 20 0 GFADMN CO[C@@H](C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O)c1ccccc1Br ZINC000655140582 566042369 /nfs/dbraw/zinc/04/23/69/566042369.db2.gz PYSSXMHSBCQNCC-CQSZACIVSA-N 0 1 395.257 2.721 20 0 GFADMN CN(C(=O)c1cc(F)ccc1I)[C@@H]1CN2CCC1CC2 ZINC000609532520 566043089 /nfs/dbraw/zinc/04/30/89/566043089.db2.gz FTYFZWBZINRAMR-CQSZACIVSA-N 0 1 388.224 2.597 20 0 GFADMN C[C@@H](C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(Br)s1 ZINC000655234395 566047704 /nfs/dbraw/zinc/04/77/04/566047704.db2.gz PCXHDTJECFQUBY-BDAKNGLRSA-N 0 1 385.287 2.900 20 0 GFADMN Cc1cc(C2CCN(C(=O)CCc3nn[nH]n3)CC2)ccc1Br ZINC000632591626 566047734 /nfs/dbraw/zinc/04/77/34/566047734.db2.gz CIJRRHWFZCDEBX-UHFFFAOYSA-N 0 1 378.274 2.609 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1[nH]c2ccccc2c1Br ZINC000655238134 566048353 /nfs/dbraw/zinc/04/83/53/566048353.db2.gz WETOLGWISWEXMK-NSHDSACASA-N 0 1 390.241 2.830 20 0 GFADMN O=C(CCc1cc(F)ccc1Br)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655244332 566048383 /nfs/dbraw/zinc/04/83/83/566048383.db2.gz SQIDTPSEWJDAFH-ZDUSSCGKSA-N 0 1 397.248 2.807 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)C1(c2ccc(Br)cc2)CC1 ZINC000655236313 566048721 /nfs/dbraw/zinc/04/87/21/566048721.db2.gz CZKYOHXCRRYFSC-CYBMUJFWSA-N 0 1 391.269 2.767 20 0 GFADMN Cc1cc(Br)cn2c(CN3CCN(C[C@H]4CCCO4)CC3)cnc12 ZINC000680326070 566067268 /nfs/dbraw/zinc/06/72/68/566067268.db2.gz BILLBIWSHGSRCT-QGZVFWFLSA-N 0 1 393.329 2.702 20 0 GFADMN Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@@H]4CCN(C)C[C@H]43)cc2)n1 ZINC000655552996 566067830 /nfs/dbraw/zinc/06/78/30/566067830.db2.gz YKLMYUOSEBSVAA-WMLDXEAASA-N 0 1 377.535 2.833 20 0 GFADMN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655630832 566074125 /nfs/dbraw/zinc/07/41/25/566074125.db2.gz ORFGLWZVZKZJCX-GFCCVEGCSA-N 0 1 391.280 2.583 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1OC ZINC000655667836 566080458 /nfs/dbraw/zinc/08/04/58/566080458.db2.gz JLJHGYHRGKQDMO-KBPBESRZSA-N 0 1 388.917 2.652 20 0 GFADMN C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680770777 566081379 /nfs/dbraw/zinc/08/13/79/566081379.db2.gz HOOADGHTXXWDSU-WODVXLOZSA-N 0 1 382.511 2.511 20 0 GFADMN C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000680770777 566081384 /nfs/dbraw/zinc/08/13/84/566081384.db2.gz HOOADGHTXXWDSU-WODVXLOZSA-N 0 1 382.511 2.511 20 0 GFADMN COc1c(Br)cc(Br)cc1CNC[C@](C)(CO)OC ZINC000655811863 566090356 /nfs/dbraw/zinc/09/03/56/566090356.db2.gz XGLLYOPAGOTFOE-CYBMUJFWSA-N 0 1 397.107 2.707 20 0 GFADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000681131508 566094441 /nfs/dbraw/zinc/09/44/41/566094441.db2.gz HDZCSKWBULEKCE-UHFFFAOYSA-N 0 1 386.832 2.664 20 0 GFADMN C[C@@H](NCCOC[C@H]1CCOC1)c1ccccc1I ZINC000610815095 566101050 /nfs/dbraw/zinc/10/10/50/566101050.db2.gz PZHLQCGSMJJQFS-OLZOCXBDSA-N 0 1 375.250 2.995 20 0 GFADMN Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1sccc1Br ZINC000633532253 566108126 /nfs/dbraw/zinc/10/81/26/566108126.db2.gz RZANUPXRRFRCFD-CYBMUJFWSA-N 0 1 392.282 2.755 20 0 GFADMN CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCc2cn[nH]c2C1 ZINC000611009026 566109973 /nfs/dbraw/zinc/10/99/73/566109973.db2.gz PUZZUYBQEAFCOK-OAHLLOKOSA-N 0 1 382.233 2.974 20 0 GFADMN CCOc1nc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)co1 ZINC000681509449 566110197 /nfs/dbraw/zinc/11/01/97/566110197.db2.gz VFCSTORJCPQYPR-UHFFFAOYSA-N 0 1 378.186 2.873 20 0 GFADMN Cn1c2cc(Br)ccc2nc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000681594178 566117300 /nfs/dbraw/zinc/11/73/00/566117300.db2.gz VLCOBDRFWINLSP-HNNXBMFYSA-N 0 1 393.329 2.632 20 0 GFADMN CO[C@@H]1CN(Cc2cn(-c3cccc(Br)c3)nc2C)C[C@@H]1OC ZINC000656257967 566118660 /nfs/dbraw/zinc/11/86/60/566118660.db2.gz NHUBOIPPIBJCAY-CALCHBBNSA-N 0 1 380.286 2.789 20 0 GFADMN O=C(Cc1ccc(Br)c(Cl)c1)NCCN1CCSCC1 ZINC000682499708 566159084 /nfs/dbraw/zinc/15/90/84/566159084.db2.gz MRWYPZGMKOBNAT-UHFFFAOYSA-N 0 1 377.735 2.810 20 0 GFADMN Cn1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000682809593 566171006 /nfs/dbraw/zinc/17/10/06/566171006.db2.gz YBRDGWSOGGRTKV-UHFFFAOYSA-N 0 1 376.873 2.940 20 0 GFADMN CC[C@]1(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCOC1 ZINC000682871111 566173335 /nfs/dbraw/zinc/17/33/35/566173335.db2.gz XGFIPSGSBAUGGL-INIZCTEOSA-N 0 1 394.273 2.603 20 0 GFADMN CC[C@]1(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCOC1 ZINC000682871111 566173338 /nfs/dbraw/zinc/17/33/38/566173338.db2.gz XGFIPSGSBAUGGL-INIZCTEOSA-N 0 1 394.273 2.603 20 0 GFADMN C[C@@H]1CCCN(CCNS(=O)(=O)Cc2cc(F)ccc2Br)C1 ZINC000656877320 566173403 /nfs/dbraw/zinc/17/34/03/566173403.db2.gz MPADDDCOXDTQDE-GFCCVEGCSA-N 0 1 393.322 2.740 20 0 GFADMN CCn1c(CNC(=O)NCc2cc(C)[nH]n2)nc2cc(Br)ccc21 ZINC000682869277 566173765 /nfs/dbraw/zinc/17/37/65/566173765.db2.gz RMDKJZRVKLRECT-UHFFFAOYSA-N 0 1 391.273 2.850 20 0 GFADMN Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000682892794 566174794 /nfs/dbraw/zinc/17/47/94/566174794.db2.gz JQCWARPNZZIURN-CVEARBPZSA-N 0 1 381.314 2.737 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000682929050 566177142 /nfs/dbraw/zinc/17/71/42/566177142.db2.gz DNLGQTKESSOQKC-LBPRGKRZSA-N 0 1 391.306 2.659 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ncccc1Br)N(C)Cc1ccccc1 ZINC000656898324 566178999 /nfs/dbraw/zinc/17/89/99/566178999.db2.gz MEGLUQQGXJXKNJ-CYBMUJFWSA-N 0 1 398.326 2.643 20 0 GFADMN Cc1nnc(CC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130108 566186176 /nfs/dbraw/zinc/18/61/76/566186176.db2.gz XHVVAUXTEYVIJG-YVEFUNNKSA-N 0 1 382.892 2.991 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000635020362 566189444 /nfs/dbraw/zinc/18/94/44/566189444.db2.gz MIRQRBFCVONYKB-RHSMWYFYSA-N 0 1 387.263 2.522 20 0 GFADMN O=S(=O)(c1ccccc1O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000656954541 566193342 /nfs/dbraw/zinc/19/33/42/566193342.db2.gz QWVHFAXUERZCSV-UHFFFAOYSA-N 0 1 375.372 2.633 20 0 GFADMN O=S(=O)(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1O ZINC000656973161 566197345 /nfs/dbraw/zinc/19/73/45/566197345.db2.gz HHQKAMYAAHLNSC-CYBMUJFWSA-N 0 1 397.294 2.712 20 0 GFADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000635311371 566205865 /nfs/dbraw/zinc/20/58/65/566205865.db2.gz AHKDHYAOLNGNIM-ZDUSSCGKSA-N 0 1 378.270 2.945 20 0 GFADMN CC(C)(C)N1CC[C@H]1CNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000657033966 566208682 /nfs/dbraw/zinc/20/86/82/566208682.db2.gz NUFHKCHCQVCTIA-ZDUSSCGKSA-N 0 1 380.432 2.877 20 0 GFADMN COc1ccc(Br)c(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000657061271 566215626 /nfs/dbraw/zinc/21/56/26/566215626.db2.gz KZPZSPQQWVHOEY-LLVKDONJSA-N 0 1 391.331 2.609 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1OC ZINC000657061722 566215861 /nfs/dbraw/zinc/21/58/61/566215861.db2.gz OONIAJRUZRYBLG-LLVKDONJSA-N 0 1 376.906 2.508 20 0 GFADMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000657063168 566215931 /nfs/dbraw/zinc/21/59/31/566215931.db2.gz VFJUTVODVOPHSW-JTQLQIEISA-N 0 1 379.295 2.739 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000657062856 566216273 /nfs/dbraw/zinc/21/62/73/566216273.db2.gz URZCAMHMIZIRLD-GFCCVEGCSA-N 0 1 380.432 2.865 20 0 GFADMN CN(CCc1ccc(Cl)cc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736804603 598833270 /nfs/dbraw/zinc/83/32/70/598833270.db2.gz RQGDGSYABMXJOB-SFHVURJKSA-N 0 1 396.882 2.800 20 0 GFADMN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](c2ccccc2C)C1 ZINC000736899613 598860760 /nfs/dbraw/zinc/86/07/60/598860760.db2.gz CAMYLEPYNJJDHO-IEBWSBKVSA-N 0 1 377.448 2.879 20 0 GFADMN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](c2ccccc2C)C1 ZINC000736899617 598860819 /nfs/dbraw/zinc/86/08/19/598860819.db2.gz CAMYLEPYNJJDHO-PKOBYXMFSA-N 0 1 377.448 2.879 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738432753 598970159 /nfs/dbraw/zinc/97/01/59/598970159.db2.gz LADHTVHCLSOTRQ-MRXNPFEDSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]2CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738432753 598970160 /nfs/dbraw/zinc/97/01/60/598970160.db2.gz LADHTVHCLSOTRQ-MRXNPFEDSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738432753 598970161 /nfs/dbraw/zinc/97/01/61/598970161.db2.gz LADHTVHCLSOTRQ-MRXNPFEDSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]2CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738432753 598970162 /nfs/dbraw/zinc/97/01/62/598970162.db2.gz LADHTVHCLSOTRQ-MRXNPFEDSA-N 0 1 386.463 2.886 20 0 GFADMN CC(C)[C@@H](C(=O)OCc1cn2ccccc2c1-c1nn[nH]n1)N1CCCCC1 ZINC000735692356 599016445 /nfs/dbraw/zinc/01/64/45/599016445.db2.gz SQIFVUGLEFOUDA-SFHVURJKSA-N 0 1 382.468 2.673 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[nH]n2)nc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000736504973 599023433 /nfs/dbraw/zinc/02/34/33/599023433.db2.gz FGWAWAQUVHBUMX-YJBOKZPZSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000736504973 599023434 /nfs/dbraw/zinc/02/34/34/599023434.db2.gz FGWAWAQUVHBUMX-YJBOKZPZSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000736504973 599023435 /nfs/dbraw/zinc/02/34/35/599023435.db2.gz FGWAWAQUVHBUMX-YJBOKZPZSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000736504973 599023436 /nfs/dbraw/zinc/02/34/36/599023436.db2.gz FGWAWAQUVHBUMX-YJBOKZPZSA-N 0 1 391.479 2.559 20 0 GFADMN CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000736504973 599023437 /nfs/dbraw/zinc/02/34/37/599023437.db2.gz FGWAWAQUVHBUMX-YJBOKZPZSA-N 0 1 391.479 2.559 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC[C@H]2CCC[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000737186102 599108804 /nfs/dbraw/zinc/10/88/04/599108804.db2.gz GYXHZFKPHCWHLB-WDEREUQCSA-N 0 1 376.486 2.635 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC(C(C)(C)C)CC2)cc1-c1nn[nH]n1 ZINC000737186976 599183994 /nfs/dbraw/zinc/18/39/94/599183994.db2.gz MSHDZUQEUQDQKN-UHFFFAOYSA-N 0 1 376.486 2.588 20 0 GFADMN CCN(CC)Cc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736530867 599203026 /nfs/dbraw/zinc/20/30/26/599203026.db2.gz NWRIQYPBKYUWJV-UHFFFAOYSA-N 0 1 398.467 2.595 20 0 GFADMN Cc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822097272 607292825 /nfs/dbraw/zinc/29/28/25/607292825.db2.gz WHQQSJAAIYERLU-KRWDZBQOSA-N 0 1 383.431 2.739 20 0 GFADMN Fc1cccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1-c1nnn[n-]1 ZINC000737664052 599268022 /nfs/dbraw/zinc/26/80/22/599268022.db2.gz LZDQJJMMGGGZGV-UHFFFAOYSA-N 0 1 386.460 2.550 20 0 GFADMN Fc1cccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1-c1nn[n-]n1 ZINC000737664052 599268025 /nfs/dbraw/zinc/26/80/25/599268025.db2.gz LZDQJJMMGGGZGV-UHFFFAOYSA-N 0 1 386.460 2.550 20 0 GFADMN CSc1cccc([C@@H]([NH2+]CC(=O)NCC(=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000820909842 597747066 /nfs/dbraw/zinc/74/70/66/597747066.db2.gz DUFATEZJXRMOLR-GOSISDBHSA-N 0 1 380.416 2.567 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1n[nH]c2ccccc12 ZINC000736488903 599277538 /nfs/dbraw/zinc/27/75/38/599277538.db2.gz TVVPUWONAZWIKC-UHFFFAOYSA-N 0 1 376.424 2.746 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1Oc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000737033188 598231557 /nfs/dbraw/zinc/23/15/57/598231557.db2.gz UUKBPBYXICCXKZ-UHFFFAOYSA-N 0 1 396.451 2.946 20 0 GFADMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737892642 598248588 /nfs/dbraw/zinc/24/85/88/598248588.db2.gz YTNLGMBNKDZWRV-UHFFFAOYSA-N 0 1 396.882 2.805 20 0 GFADMN Fc1ccccc1OCCN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737668153 598250627 /nfs/dbraw/zinc/25/06/27/598250627.db2.gz DSSUTSGDMUSMRE-UHFFFAOYSA-N 0 1 383.427 2.928 20 0 GFADMN O=C(Nc1cccc(F)c1)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738183364 598251984 /nfs/dbraw/zinc/25/19/84/598251984.db2.gz MOVXUJIXRDRYGV-UHFFFAOYSA-N 0 1 398.417 2.996 20 0 GFADMN O=C(Oc1ccccc1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738246111 598258752 /nfs/dbraw/zinc/25/87/52/598258752.db2.gz AXMADFICSLNQNS-UHFFFAOYSA-N 0 1 378.436 2.573 20 0 GFADMN CN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H]1CCCCNC1=O ZINC000736812099 598310398 /nfs/dbraw/zinc/31/03/98/598310398.db2.gz BTQHOQFHYLAJTD-IBGZPJMESA-N 0 1 376.464 2.634 20 0 GFADMN CCOc1ccccc1Nc1nnc(Sc2nccnc2-c2nn[nH]n2)s1 ZINC000736654551 598337062 /nfs/dbraw/zinc/33/70/62/598337062.db2.gz GJDZTWYCMXAACA-UHFFFAOYSA-N 0 1 399.465 2.802 20 0 GFADMN CO[C@@H](C)c1cccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000736961218 598408166 /nfs/dbraw/zinc/40/81/66/598408166.db2.gz KDGXSOIEYVXJPJ-VIFPVBQESA-N 0 1 386.437 2.649 20 0 GFADMN COc1ccc(C)cc1CN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000737077133 598450229 /nfs/dbraw/zinc/45/02/29/598450229.db2.gz NPOQDKMJFIWWNB-UHFFFAOYSA-N 0 1 378.480 2.502 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736266146 598665871 /nfs/dbraw/zinc/66/58/71/598665871.db2.gz 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COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)o2)N2CCCCC2)cc1 ZINC000821778112 599393233 /nfs/dbraw/zinc/39/32/33/599393233.db2.gz UOIKFSDHZPMVPV-GOSISDBHSA-N 0 1 382.468 2.785 20 0 GFADMN COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCCCC2)cc1 ZINC000821778112 599393235 /nfs/dbraw/zinc/39/32/35/599393235.db2.gz UOIKFSDHZPMVPV-GOSISDBHSA-N 0 1 382.468 2.785 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1ccc(Oc2cnccn2)cc1 ZINC000822743894 599394084 /nfs/dbraw/zinc/39/40/84/599394084.db2.gz IBMVHPFGCXRCPP-UHFFFAOYSA-N 0 1 377.383 2.878 20 0 GFADMN COc1ccc(CNCc2cccnc2OC2CCCC2)cc1-c1nn[nH]n1 ZINC000821817914 599404408 /nfs/dbraw/zinc/40/44/08/599404408.db2.gz BOTXWBWSOPLXSB-UHFFFAOYSA-N 0 1 380.452 2.882 20 0 GFADMN c1cc2c(s1)CCN(CCNc1cc(-c3nn[nH]n3)c3ccccc3n1)C2 ZINC000738432966 599417610 /nfs/dbraw/zinc/41/76/10/599417610.db2.gz KZOUBKVFJTURCE-UHFFFAOYSA-N 0 1 377.477 2.947 20 0 GFADMN Cc1n[nH]cc1CNCc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000822419255 599446273 /nfs/dbraw/zinc/44/62/73/599446273.db2.gz 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COc1cc(C[N@@H+](C)CC(=O)NC2(C(=O)[O-])CCCCC2)ccc1SC ZINC000737880289 599714611 /nfs/dbraw/zinc/71/46/11/599714611.db2.gz CXLYFZWVDXQSQF-UHFFFAOYSA-N 0 1 380.510 2.753 20 0 GFADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc(C)c(C(=O)[O-])o3)CC2)nc1 ZINC000737155433 599714795 /nfs/dbraw/zinc/71/47/95/599714795.db2.gz OLUHMULMWJKGEF-UHFFFAOYSA-N 0 1 387.436 2.570 20 0 GFADMN CN(CCCC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C(=O)[O-] ZINC000737421289 599736415 /nfs/dbraw/zinc/73/64/15/599736415.db2.gz FSKIJGXCBKLHSA-GOSISDBHSA-N 0 1 375.513 2.966 20 0 GFADMN COc1ccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000737958961 599762887 /nfs/dbraw/zinc/76/28/87/599762887.db2.gz MKFBATQUZRHXTB-UYAOXDASSA-N 0 1 382.460 2.849 20 0 GFADMN COc1ccc([C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000737958958 599763002 /nfs/dbraw/zinc/76/30/02/599763002.db2.gz MKFBATQUZRHXTB-QUCCMNQESA-N 0 1 382.460 2.849 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C)C[C@@H]3CCCOC3)c2C(=O)[O-])C1 ZINC000736803645 599763362 /nfs/dbraw/zinc/76/33/62/599763362.db2.gz ZUDBEEGNNCLOFV-OLZOCXBDSA-N 0 1 380.510 2.868 20 0 GFADMN CC(C)C[C@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736412649 599818039 /nfs/dbraw/zinc/81/80/39/599818039.db2.gz OWPYQWGOSGWDNY-IBGZPJMESA-N 0 1 388.508 2.982 20 0 GFADMN CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000737111304 599820425 /nfs/dbraw/zinc/82/04/25/599820425.db2.gz AHJFFUCGVSPQIX-LLVKDONJSA-N 0 1 389.374 2.789 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000736167127 599887673 /nfs/dbraw/zinc/88/76/73/599887673.db2.gz GCEJFLNBLJYHTA-OAHLLOKOSA-N 0 1 383.448 2.806 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCSCC(=O)[O-] ZINC000736788932 599898339 /nfs/dbraw/zinc/89/83/39/599898339.db2.gz IBXUBSXQFUWTHN-OAHLLOKOSA-N 0 1 379.526 2.678 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736996192 599943818 /nfs/dbraw/zinc/94/38/18/599943818.db2.gz UDOWNXGWZZOSNU-INIZCTEOSA-N 0 1 377.485 2.847 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000738049383 599950990 /nfs/dbraw/zinc/95/09/90/599950990.db2.gz QUKYXHBXNUKDPN-RDTXWAMCSA-N 0 1 390.480 2.552 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000739561346 599962583 /nfs/dbraw/zinc/96/25/83/599962583.db2.gz ZCTOPYPXJHFSMN-COXVUDFISA-N 0 1 393.447 2.739 20 0 GFADMN O=C([O-])c1cccc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000263506059 599963916 /nfs/dbraw/zinc/96/39/16/599963916.db2.gz XDQWLOKHXJCQFI-UHFFFAOYSA-N 0 1 376.460 2.888 20 0 GFADMN Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)no1 ZINC000738349157 599980154 /nfs/dbraw/zinc/98/01/54/599980154.db2.gz FJLNZTSNZGTHGR-ZDUSSCGKSA-N 0 1 392.481 2.648 20 0 GFADMN Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])C2)no1 ZINC000738349157 599980156 /nfs/dbraw/zinc/98/01/56/599980156.db2.gz FJLNZTSNZGTHGR-ZDUSSCGKSA-N 0 1 392.481 2.648 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000740024615 599994187 /nfs/dbraw/zinc/99/41/87/599994187.db2.gz HKABUOPWNCRGMX-TZIWHRDSSA-N 0 1 397.475 2.981 20 0 GFADMN O=C([O-])C1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000739563483 600030414 /nfs/dbraw/zinc/03/04/14/600030414.db2.gz KMTLNMFIZSWILZ-UHFFFAOYSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])C1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000739563483 600030416 /nfs/dbraw/zinc/03/04/16/600030416.db2.gz KMTLNMFIZSWILZ-UHFFFAOYSA-N 0 1 377.460 2.686 20 0 GFADMN Cc1ccccc1C[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000738771571 600037792 /nfs/dbraw/zinc/03/77/92/600037792.db2.gz PJHZAUBJRHEACH-HXUWFJFHSA-N 0 1 379.460 2.720 20 0 GFADMN Cc1ccccc1C[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000738771571 600037794 /nfs/dbraw/zinc/03/77/94/600037794.db2.gz PJHZAUBJRHEACH-HXUWFJFHSA-N 0 1 379.460 2.720 20 0 GFADMN COC(=O)c1occc1C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000737714512 600080995 /nfs/dbraw/zinc/08/09/95/600080995.db2.gz RZOYSOXDKJQDKO-MRXNPFEDSA-N 0 1 382.210 2.918 20 0 GFADMN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736876962 600089537 /nfs/dbraw/zinc/08/95/37/600089537.db2.gz IYRZJPADWHZYAP-MLGOLLRUSA-N 0 1 385.302 2.539 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000737680505 600094679 /nfs/dbraw/zinc/09/46/79/600094679.db2.gz GELVWWFOOCKQQZ-CQSZACIVSA-N 0 1 396.443 2.947 20 0 GFADMN COc1ccc(-c2nc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)sc2C)cc1 ZINC000737914835 600129671 /nfs/dbraw/zinc/12/96/71/600129671.db2.gz YXWRNATUNJZVCE-CQSZACIVSA-N 0 1 389.477 2.862 20 0 GFADMN COc1ccc(-c2nc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)sc2C)cc1 ZINC000737914835 600129674 /nfs/dbraw/zinc/12/96/74/600129674.db2.gz YXWRNATUNJZVCE-CQSZACIVSA-N 0 1 389.477 2.862 20 0 GFADMN C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(C(=O)[O-])co4)CC3)cc2NC1=O ZINC000736832626 600142155 /nfs/dbraw/zinc/14/21/55/600142155.db2.gz ACYKBHKCGYISRU-LBPRGKRZSA-N 0 1 398.415 2.792 20 0 GFADMN C[C@@H]1CCC[C@@H]([N@@H+](CCC(=O)NCC(=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000736774727 600160720 /nfs/dbraw/zinc/16/07/20/600160720.db2.gz HJECLHPQVZZWIT-BFYDXBDKSA-N 0 1 390.480 2.633 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@H](C)C1 ZINC000737166702 600180770 /nfs/dbraw/zinc/18/07/70/600180770.db2.gz JGTCPTYXXJAACQ-WBMJQRKESA-N 0 1 399.438 2.922 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)[C@@H](C)C1 ZINC000737166629 600180927 /nfs/dbraw/zinc/18/09/27/600180927.db2.gz HRDDWJOJCXEMLC-YOEHRIQHSA-N 0 1 377.485 2.952 20 0 GFADMN CCOCC[N@H+]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@@H]1C ZINC000578893612 600213944 /nfs/dbraw/zinc/21/39/44/600213944.db2.gz GHAVMUZFEVIFRP-NSHDSACASA-N 0 1 378.498 2.553 20 0 GFADMN C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000737450047 600225525 /nfs/dbraw/zinc/22/55/25/600225525.db2.gz 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GFADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2F)CC1 ZINC000829781424 601752166 /nfs/dbraw/zinc/75/21/66/601752166.db2.gz WHXHVXQWAYSPKH-IBGZPJMESA-N 0 1 391.487 2.731 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H](CN(C)C(=O)[O-])C3)cc(=O)oc2c1 ZINC000738572300 601853093 /nfs/dbraw/zinc/85/30/93/601853093.db2.gz OOCQSHKZRLWYPC-AWEZNQCLSA-N 0 1 387.436 2.573 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])cn1 ZINC000740236528 601853783 /nfs/dbraw/zinc/85/37/83/601853783.db2.gz NLQGGPPRRORBMG-QGZVFWFLSA-N 0 1 377.404 2.619 20 0 GFADMN Cc1ccc2nc(C[N@@H+](C)[C@@H](C(=O)[O-])c3cc(F)c(F)c(F)c3)cc(=O)n2c1 ZINC000832960162 601905931 /nfs/dbraw/zinc/90/59/31/601905931.db2.gz MYOHVYQPOKOCFG-GOSISDBHSA-N 0 1 391.349 2.678 20 0 GFADMN Cc1ccc2nc(C[N@H+](C)[C@@H](C(=O)[O-])c3cc(F)c(F)c(F)c3)cc(=O)n2c1 ZINC000832960162 601905934 /nfs/dbraw/zinc/90/59/34/601905934.db2.gz MYOHVYQPOKOCFG-GOSISDBHSA-N 0 1 391.349 2.678 20 0 GFADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000568518911 601921549 /nfs/dbraw/zinc/92/15/49/601921549.db2.gz SGLLQWBXAXWLEA-SFHVURJKSA-N 0 1 382.482 2.531 20 0 GFADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000568518911 601921551 /nfs/dbraw/zinc/92/15/51/601921551.db2.gz SGLLQWBXAXWLEA-SFHVURJKSA-N 0 1 382.482 2.531 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000062935985 601926434 /nfs/dbraw/zinc/92/64/34/601926434.db2.gz RBPZNIUFDXJEMV-CQSZACIVSA-N 0 1 375.650 2.838 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000062935985 601926436 /nfs/dbraw/zinc/92/64/36/601926436.db2.gz RBPZNIUFDXJEMV-CQSZACIVSA-N 0 1 375.650 2.838 20 0 GFADMN CC(C)N(CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C(=O)[O-] ZINC000738844877 601946858 /nfs/dbraw/zinc/94/68/58/601946858.db2.gz XTDXFZNSDMVJHA-UHFFFAOYSA-N 0 1 382.892 2.809 20 0 GFADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000825823365 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VQUNYMGRZOSPGS-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828441963 602379668 /nfs/dbraw/zinc/37/96/68/602379668.db2.gz VQUNYMGRZOSPGS-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740080364 602448122 /nfs/dbraw/zinc/44/81/22/602448122.db2.gz OGWRYWVIXUPEEF-INIZCTEOSA-N 0 1 388.512 2.902 20 0 GFADMN COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c1C ZINC000739806775 602448132 /nfs/dbraw/zinc/44/81/32/602448132.db2.gz NHTJRUOHJVCXMB-HUUCEWRRSA-N 0 1 379.501 2.863 20 0 GFADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000824612317 607568724 /nfs/dbraw/zinc/56/87/24/607568724.db2.gz MUCKIYXBVBDYTR-LIRRHRJNSA-N 0 1 383.452 2.875 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740240795 602464362 /nfs/dbraw/zinc/46/43/62/602464362.db2.gz UIRWTEMJBPVYQX-SFHVURJKSA-N 0 1 393.447 2.981 20 0 GFADMN CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc2)CC1 ZINC000739737216 602484552 /nfs/dbraw/zinc/48/45/52/602484552.db2.gz VRYNBTSBXVLHKU-UHFFFAOYSA-N 0 1 386.427 2.915 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740242400 602534303 /nfs/dbraw/zinc/53/43/03/602534303.db2.gz LLOSKJCJDABQGY-QGZVFWFLSA-N 0 1 399.495 2.749 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+](CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000737939817 602534600 /nfs/dbraw/zinc/53/46/00/602534600.db2.gz PULWXISVUXUIHB-UHFFFAOYSA-N 0 1 391.487 2.828 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1)C(=O)[O-] ZINC000739661945 602537428 /nfs/dbraw/zinc/53/74/28/602537428.db2.gz VFNQPTLDLBJHKJ-KRWDZBQOSA-N 0 1 388.512 2.937 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1)C(=O)[O-] ZINC000739661945 602537430 /nfs/dbraw/zinc/53/74/30/602537430.db2.gz VFNQPTLDLBJHKJ-KRWDZBQOSA-N 0 1 388.512 2.937 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 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C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1CNC(=O)[O-] ZINC000825925670 603729675 /nfs/dbraw/zinc/72/96/75/603729675.db2.gz RCEOQROHQXHXDD-BLLLJJGKSA-N 0 1 388.493 2.777 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000828259146 603773512 /nfs/dbraw/zinc/77/35/12/603773512.db2.gz JAQCBOZFUSHNBZ-OALUTQOASA-N 0 1 388.512 2.540 20 0 GFADMN CCOc1ccc(CN(C)C(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000827428585 603781230 /nfs/dbraw/zinc/78/12/30/603781230.db2.gz WFSWOWDTCBWMCL-UHFFFAOYSA-N 0 1 377.485 2.554 20 0 GFADMN C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C(=O)[O-] ZINC000825989718 603782614 /nfs/dbraw/zinc/78/26/14/603782614.db2.gz XNSCEAXDBFUJGJ-UXDRXVOSSA-N 0 1 386.496 2.576 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)[C@H]1c1cccs1 ZINC000828470611 603798518 /nfs/dbraw/zinc/79/85/18/603798518.db2.gz DYSDYQALXGVKAH-YCPHGPKFSA-N 0 1 380.514 2.573 20 0 GFADMN 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O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)C[C@H]21 ZINC000834186117 605459376 /nfs/dbraw/zinc/45/93/76/605459376.db2.gz UYAIXXXEQZFGBD-IACUBPJLSA-N 0 1 382.420 2.950 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)C[C@H]21 ZINC000834186117 605459380 /nfs/dbraw/zinc/45/93/80/605459380.db2.gz UYAIXXXEQZFGBD-IACUBPJLSA-N 0 1 382.420 2.950 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000833814932 605508155 /nfs/dbraw/zinc/50/81/55/605508155.db2.gz GBSKZGCRTNJFJX-QXAKKESOSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000826070078 605560344 /nfs/dbraw/zinc/56/03/44/605560344.db2.gz ZBISNHXUNYUIQC-RWQQGDIJSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])Nc1cccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000834269140 605603406 /nfs/dbraw/zinc/60/34/06/605603406.db2.gz QHSXLSKCUYGSNM-UHFFFAOYSA-N 0 1 393.447 2.743 20 0 GFADMN COC(=O)[C@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C(=O)[O-])C1 ZINC000833706933 605691601 /nfs/dbraw/zinc/69/16/01/605691601.db2.gz ITRJZOUHIZNLLT-DLBZAZTESA-N 0 1 390.480 2.669 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000827399396 605691974 /nfs/dbraw/zinc/69/19/74/605691974.db2.gz GALPEMDYDRPKOY-YJBOKZPZSA-N 0 1 377.485 2.952 20 0 GFADMN COC(=O)[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000833705198 605696590 /nfs/dbraw/zinc/69/65/90/605696590.db2.gz CEFRHNPMGRSYEG-IUODEOHRSA-N 0 1 389.370 2.813 20 0 GFADMN CC(NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)(c1ccccc1)c1ccccc1 ZINC000825122299 605700359 /nfs/dbraw/zinc/70/03/59/605700359.db2.gz QVUOJMONPKKJAG-UHFFFAOYSA-N 0 1 381.476 2.798 20 0 GFADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833606597 605700896 /nfs/dbraw/zinc/70/08/96/605700896.db2.gz RWQHYYCWZKVRFV-DAXOMENPSA-N 0 1 384.398 2.687 20 0 GFADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833606597 605700901 /nfs/dbraw/zinc/70/09/01/605700901.db2.gz RWQHYYCWZKVRFV-DAXOMENPSA-N 0 1 384.398 2.687 20 0 GFADMN CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833641423 605728189 /nfs/dbraw/zinc/72/81/89/605728189.db2.gz YKUPJFJSMVEJFG-CWRNSKLLSA-N 0 1 379.453 2.711 20 0 GFADMN CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000833652352 605728241 /nfs/dbraw/zinc/72/82/41/605728241.db2.gz SCXQSPRWTBWTDU-UKRRQHHQSA-N 0 1 399.871 2.976 20 0 GFADMN CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1OC ZINC000833652352 605728245 /nfs/dbraw/zinc/72/82/45/605728245.db2.gz SCXQSPRWTBWTDU-UKRRQHHQSA-N 0 1 399.871 2.976 20 0 GFADMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)[C@@H](C(=O)[O-])C1 ZINC000833710254 605731846 /nfs/dbraw/zinc/73/18/46/605731846.db2.gz VMOGAEJMVMIPCL-NJZAAPMLSA-N 0 1 384.270 2.891 20 0 GFADMN C[C@@H]1C[C@H]1[C@H](NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000825861078 605745224 /nfs/dbraw/zinc/74/52/24/605745224.db2.gz OIJQOIJPYBXXCM-XHBKTUGNSA-N 0 1 379.888 2.885 20 0 GFADMN Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3C[C@@H]3CCCN(C(=O)[O-])C3)no2)cn1 ZINC000833945017 605777121 /nfs/dbraw/zinc/77/71/21/605777121.db2.gz LPEZIGNHMZYUEV-HOCLYGCPSA-N 0 1 388.472 2.777 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000833827591 605895017 /nfs/dbraw/zinc/89/50/17/605895017.db2.gz BLXGTGSFBLMFHO-WMZOPIPTSA-N 0 1 385.464 2.786 20 0 GFADMN CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000739573349 605929161 /nfs/dbraw/zinc/92/91/61/605929161.db2.gz VPXQJOKJMJLRRP-AZUAARDMSA-N 0 1 385.439 2.715 20 0 GFADMN CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000739573349 605929162 /nfs/dbraw/zinc/92/91/62/605929162.db2.gz VPXQJOKJMJLRRP-AZUAARDMSA-N 0 1 385.439 2.715 20 0 GFADMN CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)N1CCOCC1 ZINC000820021386 606173811 /nfs/dbraw/zinc/17/38/11/606173811.db2.gz TUHJISSTDZOPHR-HNNXBMFYSA-N 0 1 384.406 2.654 20 0 GFADMN CCOc1cc(N2CCN(C)CC2)ccc1NCc1cc(-c2nn[nH]n2)cs1 ZINC000821401047 606223591 /nfs/dbraw/zinc/22/35/91/606223591.db2.gz SSGSGOVLSDSZPW-UHFFFAOYSA-N 0 1 399.524 2.691 20 0 GFADMN CCN(CC)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccc1Cl ZINC000821181399 606246508 /nfs/dbraw/zinc/24/65/08/606246508.db2.gz MQEHFGNEPBOASS-MRXNPFEDSA-N 0 1 387.875 2.661 20 0 GFADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000822632152 606277462 /nfs/dbraw/zinc/27/74/62/606277462.db2.gz SHELZQJPMGNMHZ-IBGZPJMESA-N 0 1 398.430 2.601 20 0 GFADMN O=C1[C@@H](N2CC[C@@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504099 606318504 /nfs/dbraw/zinc/31/85/04/606318504.db2.gz MALNTSWKJBHBBM-ZBFHGGJFSA-N 0 1 380.477 2.523 20 0 GFADMN O=C1[C@@H](N2CCC[C@@]3(CC=CCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503782 606323646 /nfs/dbraw/zinc/32/36/46/606323646.db2.gz ISSLATPUANUWHN-KXBFYZLASA-N 0 1 384.509 2.856 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccco1 ZINC000821180445 606346086 /nfs/dbraw/zinc/34/60/86/606346086.db2.gz CLRPFPABTRUGBK-HNNXBMFYSA-N 0 1 387.419 2.803 20 0 GFADMN Cc1cc([C@@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)ccc1F ZINC000822191724 606416303 /nfs/dbraw/zinc/41/63/03/606416303.db2.gz PHTVFXJNFOQUCX-ACJLOTCBSA-N 0 1 380.427 2.770 20 0 GFADMN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821614692 606547310 /nfs/dbraw/zinc/54/73/10/606547310.db2.gz QVQDWMPMWLIDGI-UHFFFAOYSA-N 0 1 396.520 2.912 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821614692 606547312 /nfs/dbraw/zinc/54/73/12/606547312.db2.gz QVQDWMPMWLIDGI-UHFFFAOYSA-N 0 1 396.520 2.912 20 0 GFADMN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821614692 606547314 /nfs/dbraw/zinc/54/73/14/606547314.db2.gz QVQDWMPMWLIDGI-UHFFFAOYSA-N 0 1 396.520 2.912 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821614692 606547315 /nfs/dbraw/zinc/54/73/15/606547315.db2.gz QVQDWMPMWLIDGI-UHFFFAOYSA-N 0 1 396.520 2.912 20 0 GFADMN CCCCn1c(=O)[nH]nc1SCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821082798 606588428 /nfs/dbraw/zinc/58/84/28/606588428.db2.gz OQEBCHOENQDKFH-UHFFFAOYSA-N 0 1 397.411 2.858 20 0 GFADMN Cn1c2ccccc2nc1[C@H]1CCCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822596883 606605479 /nfs/dbraw/zinc/60/54/79/606605479.db2.gz XRGKHSSSHYEHLP-LJQANCHMSA-N 0 1 389.463 2.969 20 0 GFADMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823269895 606683620 /nfs/dbraw/zinc/68/36/20/606683620.db2.gz SRRHSAABGVBJIP-UHFFFAOYSA-N 0 1 389.753 2.605 20 0 GFADMN CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000819946542 606720584 /nfs/dbraw/zinc/72/05/84/606720584.db2.gz NKUQBEUVRDWKCY-UHFFFAOYSA-N 0 1 381.440 2.899 20 0 GFADMN COc1ccc(CNCc2ccnn2CCc2ccccc2)cc1-c1nn[nH]n1 ZINC000821818004 606726369 /nfs/dbraw/zinc/72/63/69/606726369.db2.gz HEBGMJIYNKZPTG-UHFFFAOYSA-N 0 1 389.463 2.604 20 0 GFADMN Cc1ccc(CNCc2cc(-c3nn[nH]n3)cs2)c(OC[C@H]2CCOC2)c1 ZINC000822238601 606727815 /nfs/dbraw/zinc/72/78/15/606727815.db2.gz NXLUBBLSHCGDJP-AWEZNQCLSA-N 0 1 385.493 2.942 20 0 GFADMN CC1(C)C[C@@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2O1 ZINC000820590515 606741659 /nfs/dbraw/zinc/74/16/59/606741659.db2.gz VKJIDGGSPABJDT-MRXNPFEDSA-N 0 1 375.436 2.906 20 0 GFADMN C[C@H]1CC/C(=C\C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)C1 ZINC000820674662 606807007 /nfs/dbraw/zinc/80/70/07/606807007.db2.gz FNBGFOKKPRXUJF-UQRISPGASA-N 0 1 382.468 2.513 20 0 GFADMN CN(C)C1(C(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCC1 ZINC000821581953 606831680 /nfs/dbraw/zinc/83/16/80/606831680.db2.gz YXALRZZYXGGGNY-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN c1ccc2sc(C3CN(CCOc4ccc(-c5nn[nH]n5)cc4)C3)nc2c1 ZINC000823802045 606847542 /nfs/dbraw/zinc/84/75/42/606847542.db2.gz GBSAEKGTWILZQU-UHFFFAOYSA-N 0 1 378.461 2.955 20 0 GFADMN Cc1cccc(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1Cl ZINC000822328117 606866981 /nfs/dbraw/zinc/86/69/81/606866981.db2.gz LLQGZQMONURDND-UHFFFAOYSA-N 0 1 385.783 2.908 20 0 GFADMN O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823567583 606885633 /nfs/dbraw/zinc/88/56/33/606885633.db2.gz SGOXZIXMUUNXHK-HNNXBMFYSA-N 0 1 391.403 2.575 20 0 GFADMN CC(C)[C@@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820051919 606916649 /nfs/dbraw/zinc/91/66/49/606916649.db2.gz XUYYSJVDCALOQZ-OAQYLSRUSA-N 0 1 390.491 2.738 20 0 GFADMN CCCN(C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821094784 606922867 /nfs/dbraw/zinc/92/28/67/606922867.db2.gz QNVDUAYAZYWPRT-HNAYVOBHSA-N 0 1 394.479 2.639 20 0 GFADMN c1cc2nsnc2c(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823762849 607069392 /nfs/dbraw/zinc/06/93/92/607069392.db2.gz UVBHZBRZHUITDT-UHFFFAOYSA-N 0 1 393.476 2.915 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000819877089 607177291 /nfs/dbraw/zinc/17/72/91/607177291.db2.gz OHJUSZQCLGZUQB-KXBFYZLASA-N 0 1 391.479 2.770 20 0 GFADMN CC[C@H](CSc1ccccc1)N[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825128264 607784667 /nfs/dbraw/zinc/78/46/67/607784667.db2.gz SIDUWKAKXGIMOH-NVXWUHKLSA-N 0 1 382.493 2.554 20 0 GFADMN CCC[C@@H](C)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825234222 607829731 /nfs/dbraw/zinc/82/97/31/607829731.db2.gz XOEFVTLOBBKKGB-PBHICJAKSA-N 0 1 377.514 2.541 20 0 GFADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761847 608034160 /nfs/dbraw/zinc/03/41/60/608034160.db2.gz CVUAUHDRGZPTOG-SNVBAGLBSA-N 0 1 394.405 2.816 20 0 GFADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761847 608034161 /nfs/dbraw/zinc/03/41/61/608034161.db2.gz CVUAUHDRGZPTOG-SNVBAGLBSA-N 0 1 394.405 2.816 20 0 GFADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761847 608034162 /nfs/dbraw/zinc/03/41/62/608034162.db2.gz CVUAUHDRGZPTOG-SNVBAGLBSA-N 0 1 394.405 2.816 20 0 GFADMN C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761847 608034163 /nfs/dbraw/zinc/03/41/63/608034163.db2.gz CVUAUHDRGZPTOG-SNVBAGLBSA-N 0 1 394.405 2.816 20 0 GFADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)Cn1cnc(-c2ccccn2)n1 ZINC000824262083 608096763 /nfs/dbraw/zinc/09/67/63/608096763.db2.gz WPBHJTFBVJDERR-UHFFFAOYSA-N 0 1 389.467 2.636 20 0 GFADMN C[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000824605478 608282054 /nfs/dbraw/zinc/28/20/54/608282054.db2.gz HZOFPCDZWJQOOW-CYBMUJFWSA-N 0 1 380.427 2.983 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825443772 608303839 /nfs/dbraw/zinc/30/38/39/608303839.db2.gz FXRDRFHHFORCRH-MNOVXSKESA-N 0 1 397.405 2.832 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000826332022 608312588 /nfs/dbraw/zinc/31/25/88/608312588.db2.gz HJLIEQUTILBDLC-OAHLLOKOSA-N 0 1 375.436 2.943 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000826332022 608312590 /nfs/dbraw/zinc/31/25/90/608312590.db2.gz HJLIEQUTILBDLC-OAHLLOKOSA-N 0 1 375.436 2.943 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000826332022 608312592 /nfs/dbraw/zinc/31/25/92/608312592.db2.gz HJLIEQUTILBDLC-OAHLLOKOSA-N 0 1 375.436 2.943 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000826332022 608312594 /nfs/dbraw/zinc/31/25/94/608312594.db2.gz HJLIEQUTILBDLC-OAHLLOKOSA-N 0 1 375.436 2.943 20 0 GFADMN C[C@@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(OC(F)F)c1 ZINC000824561990 608443980 /nfs/dbraw/zinc/44/39/80/608443980.db2.gz AHXPDCPOWZRQSO-SECBINFHSA-N 0 1 394.407 2.819 20 0 GFADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435174 608461504 /nfs/dbraw/zinc/46/15/04/608461504.db2.gz OIBVHDJLMKMGNR-HOTGVXAUSA-N 0 1 378.480 2.955 20 0 GFADMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 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564381408 /nfs/dbraw/zinc/38/14/08/564381408.db2.gz UEYRGBBIHFZSQE-UHFFFAOYSA-N 0 1 386.882 2.637 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000567730971 564386347 /nfs/dbraw/zinc/38/63/47/564386347.db2.gz NEZAGESXFPCZGU-DGCLKSJQSA-N 0 1 378.274 2.697 20 0 GFADMN O=C(c1ccc(-n2cc(Br)cn2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000567731471 564386528 /nfs/dbraw/zinc/38/65/28/564386528.db2.gz YUYBPJRPQARYOK-GASCZTMLSA-N 0 1 375.270 2.601 20 0 GFADMN O=C1NCCc2ccc(CNCc3cnc4ccc(Br)cn34)cc21 ZINC000544597360 564389238 /nfs/dbraw/zinc/38/92/38/564389238.db2.gz BPRYDXXQPQGQEW-UHFFFAOYSA-N 0 1 385.265 2.673 20 0 GFADMN Cc1cc(F)c(NC(=O)N2CC(N(C)C)C2)c(I)c1 ZINC000544610163 564390386 /nfs/dbraw/zinc/39/03/86/564390386.db2.gz LIGSBGNCGCCRJX-UHFFFAOYSA-N 0 1 377.201 2.516 20 0 GFADMN COc1ccc(Br)c(S(=O)(=O)NCCN2CCCC2(C)C)c1 ZINC000452091379 564390634 /nfs/dbraw/zinc/39/06/34/564390634.db2.gz SPNUBRPHRIYWPP-UHFFFAOYSA-N 0 1 391.331 2.610 20 0 GFADMN CCOCCOC[C@@H](O)CN[C@H]1CCc2c1c(Br)ccc2F ZINC000477931837 564390720 /nfs/dbraw/zinc/39/07/20/564390720.db2.gz DBKBEEZWACMZER-NHYWBVRUSA-N 0 1 376.266 2.579 20 0 GFADMN OC[C@@H](CNCc1ncc(I)s1)Cc1ccccc1 ZINC000512084023 564391905 /nfs/dbraw/zinc/39/19/05/564391905.db2.gz NNMZUVJRDNDFDH-GFCCVEGCSA-N 0 1 388.274 2.689 20 0 GFADMN CN(CC(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1)[C@@H]1CCSC1 ZINC000477996714 564393298 /nfs/dbraw/zinc/39/32/98/564393298.db2.gz VYTLRHMEYSQZDV-GMTAPVOTSA-N 0 1 375.357 2.920 20 0 GFADMN C[C@@H]1CN(C(=O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000512185547 564394971 /nfs/dbraw/zinc/39/49/71/564394971.db2.gz JYZRVKKJTGRFMH-BFQNTYOBSA-N 0 1 375.296 2.642 20 0 GFADMN CCc1nc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)n[nH]1 ZINC000452177819 564397955 /nfs/dbraw/zinc/39/79/55/564397955.db2.gz CGTABXPIVSZEAU-MRVPVSSYSA-N 0 1 387.665 2.867 20 0 GFADMN Cc1nccc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1Cl ZINC000478272376 564398398 /nfs/dbraw/zinc/39/83/98/564398398.db2.gz KLHRXWJWEGMBFR-UHFFFAOYSA-N 0 1 387.839 2.833 20 0 GFADMN O=C(c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000567989678 564398658 /nfs/dbraw/zinc/39/86/58/564398658.db2.gz NFXCCNZETWVTGQ-RDJZCZTQSA-N 0 1 381.314 2.758 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000512563203 564405929 /nfs/dbraw/zinc/40/59/29/564405929.db2.gz CPBINPVWGGSNCG-GJZGRUSLSA-N 0 1 381.523 2.776 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000568174381 564407125 /nfs/dbraw/zinc/40/71/25/564407125.db2.gz XBJDTMUOGZLIGN-SJKOYZFVSA-N 0 1 390.237 2.801 20 0 GFADMN O=C(c1cccc2n[nH]cc21)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000478549621 564407451 /nfs/dbraw/zinc/40/74/51/564407451.db2.gz CUFVFUPMQILIRU-MRXNPFEDSA-N 0 1 399.248 2.639 20 0 GFADMN COCCCn1nccc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000512862260 564414420 /nfs/dbraw/zinc/41/44/20/564414420.db2.gz SJLBUGHTXUIDAQ-KRWDZBQOSA-N 0 1 382.302 2.679 20 0 GFADMN Cc1[nH]ncc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000545246731 564415089 /nfs/dbraw/zinc/41/50/89/564415089.db2.gz CFPGNMDFHUUIGT-UHFFFAOYSA-N 0 1 378.205 2.735 20 0 GFADMN CSCc1ccc(CNCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000512971310 564416721 /nfs/dbraw/zinc/41/67/21/564416721.db2.gz CVUABWAPOSJEBX-SFHVURJKSA-N 0 1 379.551 2.570 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cc(OC)c(O)cc2Br)[C@@]12CCCO2 ZINC000545349869 564417857 /nfs/dbraw/zinc/41/78/57/564417857.db2.gz XJMRCZLHGNWDRB-BBWFWOEESA-N 0 1 386.286 2.980 20 0 GFADMN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000568423463 564418491 /nfs/dbraw/zinc/41/84/91/564418491.db2.gz VAXYLLGLKMXAMW-HNNXBMFYSA-N 0 1 397.313 2.974 20 0 GFADMN O=C1COc2ccc(CN(CCO)Cc3cccc(Br)c3)cc2N1 ZINC000513213374 564425041 /nfs/dbraw/zinc/42/50/41/564425041.db2.gz CVIGDCYSQQVJIC-UHFFFAOYSA-N 0 1 391.265 2.775 20 0 GFADMN COc1sc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1Br ZINC000568632476 564427761 /nfs/dbraw/zinc/42/77/61/564427761.db2.gz RYKJKULFPBFIRF-UHFFFAOYSA-N 0 1 378.288 2.975 20 0 GFADMN CC(C)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000479154431 564428422 /nfs/dbraw/zinc/42/84/22/564428422.db2.gz ACFJZUGJRHZOCN-HNNXBMFYSA-N 0 1 395.345 2.763 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000568808850 564435117 /nfs/dbraw/zinc/43/51/17/564435117.db2.gz NPRDJWKDJYEHJA-GHMZBOCLSA-N 0 1 378.270 2.915 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2c([O-])cnc3c(Br)cccc32)CC[N@H+]1C ZINC000568808850 564435119 /nfs/dbraw/zinc/43/51/19/564435119.db2.gz NPRDJWKDJYEHJA-GHMZBOCLSA-N 0 1 378.270 2.915 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000568983862 564443464 /nfs/dbraw/zinc/44/34/64/564443464.db2.gz GDXLSMATTGGZAZ-CQSZACIVSA-N 0 1 378.519 2.795 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](CO)C(C)C)cc1 ZINC000479597252 564444852 /nfs/dbraw/zinc/44/48/52/564444852.db2.gz ZGTSBMOXBVQQFK-CQSZACIVSA-N 0 1 382.507 2.604 20 0 GFADMN Cc1cc(C(=O)N2CCN(c3cc(C)c(Br)cn3)[C@H](C)C2)n[nH]1 ZINC000514587475 564449785 /nfs/dbraw/zinc/44/97/85/564449785.db2.gz DJPYQXMXADECGJ-GFCCVEGCSA-N 0 1 378.274 2.535 20 0 GFADMN CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1C[C@H]1OCC ZINC000569304979 564458002 /nfs/dbraw/zinc/45/80/02/564458002.db2.gz RSFJQCPZCPHYGF-LSDHHAIUSA-N 0 1 386.286 2.966 20 0 GFADMN CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1C[C@@H]1OCC ZINC000569304976 564458066 /nfs/dbraw/zinc/45/80/66/564458066.db2.gz RSFJQCPZCPHYGF-CABCVRRESA-N 0 1 386.286 2.966 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000514870540 564460883 /nfs/dbraw/zinc/46/08/83/564460883.db2.gz IXOGVNIBWZOYAK-WBMJQRKESA-N 0 1 378.270 2.951 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC(O[C@H]2CCOC2)CC1 ZINC000480175716 564462332 /nfs/dbraw/zinc/46/23/32/564462332.db2.gz WQRZQQQHPUODRL-ZDUSSCGKSA-N 0 1 394.269 2.736 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@H]2COc3ccc(F)cc32)sc1Br ZINC000546635650 564463294 /nfs/dbraw/zinc/46/32/94/564463294.db2.gz SPVXTQNTJZWLAT-VIFPVBQESA-N 0 1 393.259 2.765 20 0 GFADMN O=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(Br)o1 ZINC000546778082 564467630 /nfs/dbraw/zinc/46/76/30/564467630.db2.gz VCUCHZNFSHCJKK-UHFFFAOYSA-N 0 1 386.223 2.738 20 0 GFADMN Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1Br ZINC000453771578 564471145 /nfs/dbraw/zinc/47/11/45/564471145.db2.gz NQTDTGWEVVSZLA-LBPRGKRZSA-N 0 1 394.313 2.639 20 0 GFADMN C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl)[C@H](C)[NH3+] ZINC000515176576 564471503 /nfs/dbraw/zinc/47/15/03/564471503.db2.gz WHRWERSMLCRWIA-NTSWFWBYSA-N 0 1 376.103 2.770 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546971679 564475733 /nfs/dbraw/zinc/47/57/33/564475733.db2.gz RKMXZCOCQXXMTI-CYBMUJFWSA-N 0 1 388.898 2.681 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546971680 564475763 /nfs/dbraw/zinc/47/57/63/564475763.db2.gz RKMXZCOCQXXMTI-ZDUSSCGKSA-N 0 1 388.898 2.681 20 0 GFADMN N[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000569851960 564481241 /nfs/dbraw/zinc/48/12/41/564481241.db2.gz NHOJJTACPPRHOG-SFHVURJKSA-N 0 1 388.309 2.793 20 0 GFADMN Cc1[nH]c(=O)sc1S(=O)(=O)NCCN[C@@H](C)c1cc2ccccc2o1 ZINC000515608061 564483130 /nfs/dbraw/zinc/48/31/30/564483130.db2.gz BRCXFWRPBWXGNL-JTQLQIEISA-N 0 1 381.479 2.532 20 0 GFADMN O=C(NCCN1c2ccccc2NS1(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000569917841 564484120 /nfs/dbraw/zinc/48/41/20/564484120.db2.gz SKQVIRGUDAESIC-GHMZBOCLSA-N 0 1 397.909 2.798 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1Cl ZINC000480838563 564489958 /nfs/dbraw/zinc/48/99/58/564489958.db2.gz MZYJIAPIRCZTLA-RNCFNFMXSA-N 0 1 379.309 2.763 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)N1CCC[C@@H](C)C1 ZINC000570154463 564493104 /nfs/dbraw/zinc/49/31/04/564493104.db2.gz AQIOUKUQSMPHKA-NEPJUHHUSA-N 0 1 380.432 2.826 20 0 GFADMN O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000454215665 564503022 /nfs/dbraw/zinc/50/30/22/564503022.db2.gz QJCBBESQROTLQF-GFCCVEGCSA-N 0 1 377.819 2.910 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000570391911 564503758 /nfs/dbraw/zinc/50/37/58/564503758.db2.gz OOBSBPYMKKQKBT-BRWVUGGUSA-N 0 1 386.583 2.904 20 0 GFADMN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1c[nH]nn1 ZINC000516622579 564507202 /nfs/dbraw/zinc/50/72/02/564507202.db2.gz BNICZZAYSFQHBQ-UHFFFAOYSA-N 0 1 380.271 2.979 20 0 GFADMN O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(C(F)(F)F)ccc1O ZINC000516623220 564508237 /nfs/dbraw/zinc/50/82/37/564508237.db2.gz FCUGNPSGPVPRHU-ZLKJLUDKSA-N 0 1 377.384 2.647 20 0 GFADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cnc[nH]1 ZINC000547761210 564509570 /nfs/dbraw/zinc/50/95/70/564509570.db2.gz SMWBDHHSNCHCIK-CYBMUJFWSA-N 0 1 381.263 2.916 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)Nc2cc(I)ccc2C)n[nH]1 ZINC000481390938 564511537 /nfs/dbraw/zinc/51/15/37/564511537.db2.gz KDCBSBUJVSYRTJ-MRVPVSSYSA-N 0 1 385.209 2.909 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1ccc(F)cc1I ZINC000516969728 564518870 /nfs/dbraw/zinc/51/88/70/564518870.db2.gz SSPRJBHJNPERMF-LLVKDONJSA-N 0 1 376.213 2.644 20 0 GFADMN Cc1cccc2nc(CNC(=O)N[C@H](C)c3ncc(Br)cn3)[nH]c21 ZINC000570778194 564520818 /nfs/dbraw/zinc/52/08/18/564520818.db2.gz HQTCKUZJPLYOKG-SNVBAGLBSA-N 0 1 389.257 2.984 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(NCCc3nccs3)c12 ZINC000517153863 564526261 /nfs/dbraw/zinc/52/62/61/564526261.db2.gz IKAMSSZFARSUDH-UHFFFAOYSA-N 0 1 377.495 2.871 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)NCc2cc(OC)ccc2Br)n[nH]1 ZINC000517190821 564527099 /nfs/dbraw/zinc/52/70/99/564527099.db2.gz ZKTSBNFNCUCZDL-SECBINFHSA-N 0 1 382.262 2.699 20 0 GFADMN COc1cc2nccc(N[C@H]3C[C@@H]4CCCCN4C3=O)c2cc1Br ZINC000570922888 564527901 /nfs/dbraw/zinc/52/79/01/564527901.db2.gz RZAANEZMJKRGBV-ZBEGNZNMSA-N 0 1 390.281 2.993 20 0 GFADMN CCN1CCCN(C(=O)C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000517345512 564531126 /nfs/dbraw/zinc/53/11/26/564531126.db2.gz ZFKOLHCJTZACHL-OAHLLOKOSA-N 0 1 381.929 2.547 20 0 GFADMN CCOC(=O)C1CCC(O)(CNCc2nc(C)c(Br)s2)CC1 ZINC000517556679 564536288 /nfs/dbraw/zinc/53/62/88/564536288.db2.gz RUOFWIOUWGIBAV-UHFFFAOYSA-N 0 1 391.331 2.788 20 0 GFADMN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC000482541256 564544517 /nfs/dbraw/zinc/54/45/17/564544517.db2.gz WGIFGXCCFXDLHB-UHFFFAOYSA-N 0 1 396.321 2.532 20 0 GFADMN COC(=O)C[C@](C)(NC(=O)c1cccc(Br)c1O)c1ccncc1 ZINC000548276478 564546309 /nfs/dbraw/zinc/54/63/09/564546309.db2.gz POJMYVIMIAKARP-KRWDZBQOSA-N 0 1 393.237 2.758 20 0 GFADMN Cc1nccc(NC(=O)NCCN2CCc3ccccc3C2)c1Br ZINC000518302107 564550551 /nfs/dbraw/zinc/55/05/51/564550551.db2.gz MCQVEOVXEMORJR-UHFFFAOYSA-N 0 1 389.297 2.754 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000518372940 564551416 /nfs/dbraw/zinc/55/14/16/564551416.db2.gz JPGBTMIWTNJAEI-INIZCTEOSA-N 0 1 377.286 2.849 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccc(Br)c1C ZINC000571485204 564553716 /nfs/dbraw/zinc/55/37/16/564553716.db2.gz NZQGJCAHPMYHHU-ZDUSSCGKSA-N 0 1 375.332 2.862 20 0 GFADMN CCc1nc(CNC(=O)Nc2cc(C(=O)OC)c(Br)cc2C)n[nH]1 ZINC000455433406 564554658 /nfs/dbraw/zinc/55/46/58/564554658.db2.gz NUKWRGWJUAJSQT-UHFFFAOYSA-N 0 1 396.245 2.546 20 0 GFADMN O=C([O-])CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCCO1 ZINC000518546274 564556014 /nfs/dbraw/zinc/55/60/14/564556014.db2.gz CLLBTXKRFHCQFC-QWHCGFSZSA-N 0 1 392.279 2.689 20 0 GFADMN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000483003510 564556494 /nfs/dbraw/zinc/55/64/94/564556494.db2.gz HAZCMMDGJIZEHG-VXGBXAGGSA-N 0 1 375.332 2.704 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000518622594 564558253 /nfs/dbraw/zinc/55/82/53/564558253.db2.gz CLHFRXRVLKHYGL-HNNXBMFYSA-N 0 1 390.347 2.556 20 0 GFADMN CCc1nc(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)n[nH]1 ZINC000571880770 564571020 /nfs/dbraw/zinc/57/10/20/564571020.db2.gz PFDIDGNMEMETIA-CYBMUJFWSA-N 0 1 392.301 2.904 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)N1CCCC1 ZINC000548697075 564571285 /nfs/dbraw/zinc/57/12/85/564571285.db2.gz FRKVVKYDKGHNMT-JTQLQIEISA-N 0 1 381.723 2.865 20 0 GFADMN O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1[O-] ZINC000519157272 564571608 /nfs/dbraw/zinc/57/16/08/564571608.db2.gz DMZVOCXWKALKPU-UHFFFAOYSA-N 0 1 383.286 2.530 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000519571306 564581862 /nfs/dbraw/zinc/58/18/62/564581862.db2.gz KKFJGMLPHNJAOK-DZGCQCFKSA-N 0 1 375.332 2.566 20 0 GFADMN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000572216257 564585253 /nfs/dbraw/zinc/58/52/53/564585253.db2.gz LADCZZKLROTUAL-OAHLLOKOSA-N 0 1 385.295 2.812 20 0 GFADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(I)cn1 ZINC000456037647 564585257 /nfs/dbraw/zinc/58/52/57/564585257.db2.gz LMSQPEGREMHFAN-UHFFFAOYSA-N 0 1 398.248 2.979 20 0 GFADMN Cc1nnsc1CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000572357181 564591400 /nfs/dbraw/zinc/59/14/00/564591400.db2.gz HLGKITRAJKGHHI-JTQLQIEISA-N 0 1 392.706 2.792 20 0 GFADMN CCO[C@H]1COCC[C@H]1NCC(=O)Nc1ccc(Br)cc1Cl ZINC000484642036 564593726 /nfs/dbraw/zinc/59/37/26/564593726.db2.gz RDLNBHMROVFKMK-KGLIPLIRSA-N 0 1 391.693 2.825 20 0 GFADMN C[C@@H](CC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000456205316 564593960 /nfs/dbraw/zinc/59/39/60/564593960.db2.gz BPERCSNZEZIJPY-SOUVJXGZSA-N 0 1 383.330 2.856 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cncn1C ZINC000456361996 564602192 /nfs/dbraw/zinc/60/21/92/564602192.db2.gz DHAPGLHEPCWQRW-LBPRGKRZSA-N 0 1 392.301 2.575 20 0 GFADMN CSc1n[nH]c(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)n1 ZINC000520506224 564606449 /nfs/dbraw/zinc/60/64/49/564606449.db2.gz XYWRIRCLIUYNER-UHFFFAOYSA-N 0 1 379.243 2.932 20 0 GFADMN CCS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000550379720 564622774 /nfs/dbraw/zinc/62/27/74/564622774.db2.gz ZWYNIBXSDBZMHC-KFWWJZLASA-N 0 1 383.583 2.600 20 0 GFADMN Cc1cc(C(=O)NCCCc2nc[nH]n2)nn1-c1ccc(Cl)cc1Cl ZINC000521303845 564623568 /nfs/dbraw/zinc/62/35/68/564623568.db2.gz LSTHPZAQTQZWCB-UHFFFAOYSA-N 0 1 379.251 2.968 20 0 GFADMN Cc1cc(=O)[nH]c(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000550469815 564625944 /nfs/dbraw/zinc/62/59/44/564625944.db2.gz BIHLPFJJTVVBFV-UHFFFAOYSA-N 0 1 388.225 2.573 20 0 GFADMN Cc1cc(=O)[nH]c(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000550469815 564625945 /nfs/dbraw/zinc/62/59/45/564625945.db2.gz BIHLPFJJTVVBFV-UHFFFAOYSA-N 0 1 388.225 2.573 20 0 GFADMN CCN(CC(=O)NC[C@H](CO)Cc1cccc(Br)c1C)C1CC1 ZINC000456715101 564627953 /nfs/dbraw/zinc/62/79/53/564627953.db2.gz KBZROIUTBXXYBK-CQSZACIVSA-N 0 1 383.330 2.509 20 0 GFADMN O=C(NCCC[C@H]1CCOC1)c1n[nH]c2ccc(I)cc21 ZINC000456739956 564631756 /nfs/dbraw/zinc/63/17/56/564631756.db2.gz DHAWKKCALGXPHF-JTQLQIEISA-N 0 1 399.232 2.714 20 0 GFADMN C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)N1CCCC[C@H]1C ZINC000485945140 564632593 /nfs/dbraw/zinc/63/25/93/564632593.db2.gz NLUIUYQWTXDOCX-CABCVRRESA-N 0 1 386.945 2.883 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000521650002 564633397 /nfs/dbraw/zinc/63/33/97/564633397.db2.gz XPWILSPUVHUNOM-NSHDSACASA-N 0 1 391.269 2.712 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)C(=O)NCC1(SC)CCC1)c1ccsc1 ZINC000551006112 564634959 /nfs/dbraw/zinc/63/49/59/564634959.db2.gz BLVNEKKGKJKUCE-HNNXBMFYSA-N 0 1 383.583 2.649 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000522035802 564642556 /nfs/dbraw/zinc/64/25/56/564642556.db2.gz FJVUGDXTNVMDFW-NSHDSACASA-N 0 1 379.295 2.693 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000457074148 564645052 /nfs/dbraw/zinc/64/50/52/564645052.db2.gz YRCUMYUSOAFWSI-ZACCUICWSA-N 0 1 376.254 2.947 20 0 GFADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000457113828 564647105 /nfs/dbraw/zinc/64/71/05/564647105.db2.gz HRRUUHPTPNGVDE-JTQLQIEISA-N 0 1 393.241 2.509 20 0 GFADMN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000573684460 564649695 /nfs/dbraw/zinc/64/96/95/564649695.db2.gz WZUMERAKUMSTHB-NWDGAFQWSA-N 0 1 383.311 2.973 20 0 GFADMN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1ccccc1Br ZINC000573743425 564651334 /nfs/dbraw/zinc/65/13/34/564651334.db2.gz LYOQCCDELLYYPN-CYBMUJFWSA-N 0 1 375.332 2.848 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Br)o2)n[nH]1 ZINC000486617718 564659380 /nfs/dbraw/zinc/65/93/80/564659380.db2.gz TXBCWLICVURNPD-HTQZYQBOSA-N 0 1 377.264 2.713 20 0 GFADMN CCc1nc(CNC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000457528970 564664584 /nfs/dbraw/zinc/66/45/84/564664584.db2.gz OUSYANFFLSBAQG-SECBINFHSA-N 0 1 382.262 2.699 20 0 GFADMN CCOC(=O)CCN(C)[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000487044332 564673510 /nfs/dbraw/zinc/67/35/10/564673510.db2.gz RTZLHELCJUMTFC-ZDUSSCGKSA-N 0 1 385.302 2.681 20 0 GFADMN C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074118 564675760 /nfs/dbraw/zinc/67/57/60/564675760.db2.gz BKIISVHEIPCDGO-OZAJXLCCSA-N 0 1 383.510 2.959 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000574697011 564685848 /nfs/dbraw/zinc/68/58/48/564685848.db2.gz GJTOZGCZCPMRIX-ZDUSSCGKSA-N 0 1 378.475 2.931 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000574697011 564685850 /nfs/dbraw/zinc/68/58/50/564685850.db2.gz GJTOZGCZCPMRIX-ZDUSSCGKSA-N 0 1 378.475 2.931 20 0 GFADMN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332325 564686342 /nfs/dbraw/zinc/68/63/42/564686342.db2.gz MBSZCKSZPSNTAP-GHMZBOCLSA-N 0 1 381.361 2.975 20 0 GFADMN CCOc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)cc1F ZINC000487543970 564690350 /nfs/dbraw/zinc/69/03/50/564690350.db2.gz VYDZLFPQXVAXIO-UHFFFAOYSA-N 0 1 386.514 2.971 20 0 GFADMN C[C@@H]1CC[C@H](CNC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)O1 ZINC000458412267 564700547 /nfs/dbraw/zinc/70/05/47/564700547.db2.gz ACIMKXBJQLVZTM-ZWNOBZJWSA-N 0 1 394.273 2.601 20 0 GFADMN C[C@@H]1CC[C@H](CNC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)O1 ZINC000458412267 564700551 /nfs/dbraw/zinc/70/05/51/564700551.db2.gz ACIMKXBJQLVZTM-ZWNOBZJWSA-N 0 1 394.273 2.601 20 0 GFADMN FC(F)(F)COCCCN1CCN(c2cncc(Br)c2)CC1 ZINC000552806189 564700635 /nfs/dbraw/zinc/70/06/35/564700635.db2.gz QYGWQQHVRDEDTD-UHFFFAOYSA-N 0 1 382.224 2.935 20 0 GFADMN CC[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H](O)CC ZINC000458423864 564701373 /nfs/dbraw/zinc/70/13/73/564701373.db2.gz LAHGTMLPMQBSGG-OLZOCXBDSA-N 0 1 396.289 2.583 20 0 GFADMN CC[C@@H](NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H](O)CC ZINC000458423864 564701377 /nfs/dbraw/zinc/70/13/77/564701377.db2.gz LAHGTMLPMQBSGG-OLZOCXBDSA-N 0 1 396.289 2.583 20 0 GFADMN CCN1CCCN(C(=O)C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000552867722 564703229 /nfs/dbraw/zinc/70/32/29/564703229.db2.gz OLHAAZXIUUHMBJ-CYBMUJFWSA-N 0 1 386.323 2.595 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NCCN2[C@H](C)CCC[C@H]2C)c(Cl)c1 ZINC000552883106 564703548 /nfs/dbraw/zinc/70/35/48/564703548.db2.gz PHJVOZAATLZZLJ-CHWSQXEVSA-N 0 1 388.917 2.668 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000488156794 564705248 /nfs/dbraw/zinc/70/52/48/564705248.db2.gz BQZURSQBTWTRGR-OAHLLOKOSA-N 0 1 399.264 2.585 20 0 GFADMN CN(CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCSC1 ZINC000488166338 564705438 /nfs/dbraw/zinc/70/54/38/564705438.db2.gz IMKLRYVPZGEQLS-GDBMZVCRSA-N 0 1 398.370 2.581 20 0 GFADMN CN(Cc1nnc[nH]1)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000458679760 564711547 /nfs/dbraw/zinc/71/15/47/564711547.db2.gz QLNKPSSRJPLOGA-AWEZNQCLSA-N 0 1 382.237 2.999 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000576298537 564712265 /nfs/dbraw/zinc/71/22/65/564712265.db2.gz SFHMFJQXDUVVNA-PRHODGIISA-N 0 1 382.176 2.930 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2)n[nH]1 ZINC000553294497 564715944 /nfs/dbraw/zinc/71/59/44/564715944.db2.gz WTWIGHVUTPTPGY-VIFPVBQESA-N 0 1 375.230 2.552 20 0 GFADMN C[C@@H]1COCC[C@@H]1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458772796 564717941 /nfs/dbraw/zinc/71/79/41/564717941.db2.gz ZDUOZWIIRNEJJA-GHMZBOCLSA-N 0 1 381.274 2.797 20 0 GFADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000488803885 564721073 /nfs/dbraw/zinc/72/10/73/564721073.db2.gz YXHYOJVRJNISFG-CQSZACIVSA-N 0 1 387.307 2.943 20 0 GFADMN CC(C)(C)Oc1nc(N2CCN(C3CCOCC3)CC2)ncc1Br ZINC000553489392 564722369 /nfs/dbraw/zinc/72/23/69/564722369.db2.gz LPBHHFBFCXVKDL-UHFFFAOYSA-N 0 1 399.333 2.717 20 0 GFADMN Cc1nc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)sc1Br ZINC000458926447 564723899 /nfs/dbraw/zinc/72/38/99/564723899.db2.gz LHYCYGQMTWHUNA-NSHDSACASA-N 0 1 375.336 2.696 20 0 GFADMN COC(=O)[C@H](CNC(=O)c1n[nH]c2ccc(Br)cc21)CC1CC1 ZINC000577119008 564725633 /nfs/dbraw/zinc/72/56/33/564725633.db2.gz NALYRFLIJMAENN-JTQLQIEISA-N 0 1 380.242 2.645 20 0 GFADMN CN(CC(=O)N1CCc2cc(Br)cc(F)c2C1)[C@H]1CCSC1 ZINC000527029484 564727045 /nfs/dbraw/zinc/72/70/45/564727045.db2.gz FSZLSCAZAYGRHK-ZDUSSCGKSA-N 0 1 387.318 2.910 20 0 GFADMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000553577051 564728647 /nfs/dbraw/zinc/72/86/47/564728647.db2.gz VZXGRFCQMVWKRU-QMMMGPOBSA-N 0 1 378.338 2.953 20 0 GFADMN Cc1nccc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000527090060 564729850 /nfs/dbraw/zinc/72/98/50/564729850.db2.gz YNHKAPPVUPLDQD-CQSZACIVSA-N 0 1 387.241 2.604 20 0 GFADMN COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2S(C)(=O)=O)c(C)c1 ZINC000577995302 564739311 /nfs/dbraw/zinc/73/93/11/564739311.db2.gz FSJCNHJNUNRCND-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN CCOCCN(CC)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000489424887 564740065 /nfs/dbraw/zinc/74/00/65/564740065.db2.gz QMLJFLGKPQLMNV-LBPRGKRZSA-N 0 1 390.265 2.977 20 0 GFADMN CC[C@H](C)[C@@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000554098660 564750311 /nfs/dbraw/zinc/75/03/11/564750311.db2.gz OHFUYWCXQRACPZ-ZANVPECISA-N 0 1 392.257 2.701 20 0 GFADMN CC[C@H](C)[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000554098660 564750314 /nfs/dbraw/zinc/75/03/14/564750314.db2.gz OHFUYWCXQRACPZ-ZANVPECISA-N 0 1 392.257 2.701 20 0 GFADMN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc([O-])c2Br)cc1O ZINC000459569437 564751531 /nfs/dbraw/zinc/75/15/31/564751531.db2.gz YCPLWJLEWZETJS-CYBMUJFWSA-N 0 1 396.281 2.810 20 0 GFADMN O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000579809260 564752374 /nfs/dbraw/zinc/75/23/74/564752374.db2.gz NDZNORJNCRMNPM-LBPRGKRZSA-N 0 1 385.295 2.669 20 0 GFADMN CON1CCC(N(C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000459591933 564752431 /nfs/dbraw/zinc/75/24/31/564752431.db2.gz UANPSGAAUVQOHA-UHFFFAOYSA-N 0 1 377.819 2.838 20 0 GFADMN O=S1(=O)CCC[C@H](NCc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527660157 564753118 /nfs/dbraw/zinc/75/31/18/564753118.db2.gz FPXXMRKNRJSKCB-JTQLQIEISA-N 0 1 390.328 2.568 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1cccnc1C ZINC000527793504 564761825 /nfs/dbraw/zinc/76/18/25/564761825.db2.gz JUQDUIUIZABYKI-CYBMUJFWSA-N 0 1 392.297 2.956 20 0 GFADMN C[C@H](NCCC(=O)N1CCOCC1)c1cc(F)c(Br)cc1F ZINC000527849827 564763569 /nfs/dbraw/zinc/76/35/69/564763569.db2.gz IQMRAOVYRTYOCH-JTQLQIEISA-N 0 1 377.229 2.627 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])sc1C)c1ccco1 ZINC000580571675 564764690 /nfs/dbraw/zinc/76/46/90/564764690.db2.gz OISOIMHOPDIRDL-LBPRGKRZSA-N 0 1 386.495 2.709 20 0 GFADMN O=C(NCCN1CCC1)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000554556815 564765397 /nfs/dbraw/zinc/76/53/97/564765397.db2.gz FTVVRKKJMHBTPB-UHFFFAOYSA-N 0 1 396.329 2.502 20 0 GFADMN Cc1cc2c(cc1S(=O)(=O)N(CCN(C)C)Cc1ccsc1)OCO2 ZINC000580631458 564767785 /nfs/dbraw/zinc/76/77/85/564767785.db2.gz WNJDVLGWXZWXEJ-UHFFFAOYSA-N 0 1 382.507 2.538 20 0 GFADMN COCCN1CCCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000528195130 564773292 /nfs/dbraw/zinc/77/32/92/564773292.db2.gz DTWLREIHYIIFFV-UHFFFAOYSA-N 0 1 377.229 2.522 20 0 GFADMN CSC1(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC000554856353 564775879 /nfs/dbraw/zinc/77/58/79/564775879.db2.gz PQYYZDIEWZNZOI-UHFFFAOYSA-N 0 1 399.354 2.868 20 0 GFADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000555325092 564789990 /nfs/dbraw/zinc/78/99/90/564789990.db2.gz GYFLMOILMWPZHM-AWEZNQCLSA-N 0 1 381.263 2.746 20 0 GFADMN CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000461121606 564790894 /nfs/dbraw/zinc/79/08/94/564790894.db2.gz ANKAOLIEUKFPPH-UHFFFAOYSA-N 0 1 383.901 2.964 20 0 GFADMN O=c1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787577 564805517 /nfs/dbraw/zinc/80/55/17/564805517.db2.gz AWOIRVKBEQSAAD-CZUORRHYSA-N 0 1 394.269 2.522 20 0 GFADMN Cc1nc(C(F)(F)F)sc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000461933982 564809352 /nfs/dbraw/zinc/80/93/52/564809352.db2.gz FYSZDPRWMBWJIL-JTQLQIEISA-N 0 1 377.432 2.796 20 0 GFADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000461977626 564809977 /nfs/dbraw/zinc/80/99/77/564809977.db2.gz CEMVDCAYKPGUPG-CHWSQXEVSA-N 0 1 392.301 2.900 20 0 GFADMN COc1cc(C[NH2+][C@@H](CC(=O)[O-])c2ccncc2)c(Br)cc1O ZINC000581618710 564810763 /nfs/dbraw/zinc/81/07/63/564810763.db2.gz LYUCQWUMUMVYRV-ZDUSSCGKSA-N 0 1 381.226 2.864 20 0 GFADMN CCN1CCN(CC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000461989293 564810883 /nfs/dbraw/zinc/81/08/83/564810883.db2.gz UPJJHVXVTFJGNK-UHFFFAOYSA-N 0 1 394.357 2.625 20 0 GFADMN COC[C@H](C)[C@@H](C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000462020635 564811622 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CCN1C[C@H](C)N(C(=O)c2ccc(I)c(F)c2)[C@@H](C)C1 ZINC000581967459 564824509 /nfs/dbraw/zinc/82/45/09/564824509.db2.gz RXOLYXAALUWPIQ-QWRGUYRKSA-N 0 1 390.240 2.985 20 0 GFADMN Cc1ccccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000494420943 564829211 /nfs/dbraw/zinc/82/92/11/564829211.db2.gz HCEPDZCDLAICBK-UHFFFAOYSA-N 0 1 382.507 2.873 20 0 GFADMN Cc1cc(Br)c2c(c1)CN(C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000494439868 564830529 /nfs/dbraw/zinc/83/05/29/564830529.db2.gz VYCWWBLMKVNHBG-UXLLHSPISA-N 0 1 397.357 2.586 20 0 GFADMN COc1cc(C(=O)N2CCN(C)[C@H](C(C)C)C2)cc(Br)c1OC ZINC000556569551 564830797 /nfs/dbraw/zinc/83/07/97/564830797.db2.gz NWJQQJQMKHYRDL-AWEZNQCLSA-N 0 1 385.302 2.879 20 0 GFADMN CN(C)C1(CNS(=O)(=O)c2ccc(Cl)cc2F)Cc2ccccc2C1 ZINC000462327797 564833389 /nfs/dbraw/zinc/83/33/89/564833389.db2.gz YDIZCOWXONUGJK-UHFFFAOYSA-N 0 1 382.888 2.857 20 0 GFADMN O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529441335 564836027 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COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000462687552 564854253 /nfs/dbraw/zinc/85/42/53/564854253.db2.gz RPWTZDWYJJZJQC-QMMMGPOBSA-N 0 1 380.171 2.766 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)COc2ccccc2Br)CC1 ZINC000529911677 564856269 /nfs/dbraw/zinc/85/62/69/564856269.db2.gz XLPXLFMZHQOXLT-UHFFFAOYSA-N 0 1 397.313 2.541 20 0 GFADMN CN(C)C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1ccc(Cl)c(Cl)c1 ZINC000530033909 564860030 /nfs/dbraw/zinc/86/00/30/564860030.db2.gz RVIRNEJSVAWCBY-UTJXIGIESA-N 0 1 387.307 2.764 20 0 GFADMN CN(C)C[C@H](NC(=O)c1cnc2n[nH]nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000530031321 564860670 /nfs/dbraw/zinc/86/06/70/564860670.db2.gz GCYMTUHDISTHIT-AWEZNQCLSA-N 0 1 379.251 2.692 20 0 GFADMN COc1ccccc1C(=O)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000557432380 564863419 /nfs/dbraw/zinc/86/34/19/564863419.db2.gz HNKHFRMDRDSESF-UHFFFAOYSA-N 0 1 375.780 2.788 20 0 GFADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000557714481 564873351 /nfs/dbraw/zinc/87/33/51/564873351.db2.gz 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ZINC000463635000 564885967 /nfs/dbraw/zinc/88/59/67/564885967.db2.gz FQMRGWYVAZMZDE-UHFFFAOYSA-N 0 1 398.229 2.597 20 0 GFADMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000583493013 564894256 /nfs/dbraw/zinc/89/42/56/564894256.db2.gz NCSPRDHHWGNBHJ-AWEZNQCLSA-N 0 1 398.326 2.712 20 0 GFADMN NC(=O)NC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000583577608 564898429 /nfs/dbraw/zinc/89/84/29/564898429.db2.gz HZYXJDBOKCXXFV-UHFFFAOYSA-N 0 1 388.232 2.603 20 0 GFADMN Brc1cncc(Br)c1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000583596461 564898864 /nfs/dbraw/zinc/89/88/64/564898864.db2.gz MRMZUBQHJARWDH-SECBINFHSA-N 0 1 386.091 2.977 20 0 GFADMN CSc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1Cl ZINC000464213381 564899405 /nfs/dbraw/zinc/89/94/05/564899405.db2.gz XTUGZBYRZUZXER-CQSZACIVSA-N 0 1 380.988 2.778 20 0 GFADMN CO[C@H]1C[C@@H](CC(=O)[O-])[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000583698601 564903096 /nfs/dbraw/zinc/90/30/96/564903096.db2.gz ISRQNYPNTSBTED-STQMWFEESA-N 0 1 396.241 2.563 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000498711516 564906200 /nfs/dbraw/zinc/90/62/00/564906200.db2.gz UUDFRRIAQPRDSZ-CYBMUJFWSA-N 0 1 377.286 2.801 20 0 GFADMN CO[C@H](CNCCS(=O)(=O)c1cccc(Br)c1)CC(C)C ZINC000583748362 564906298 /nfs/dbraw/zinc/90/62/98/564906298.db2.gz ZNSWDJVNLSWJMT-AWEZNQCLSA-N 0 1 378.332 2.874 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)n(C)n1 ZINC000583776081 564907164 /nfs/dbraw/zinc/90/71/64/564907164.db2.gz PLGVENOLEKKPPW-UHFFFAOYSA-N 0 1 381.255 2.840 20 0 GFADMN CC1(C)[C@H](NCc2nnnn2-c2ccccc2Br)[C@H]2CCCO[C@@H]21 ZINC000583793818 564907775 /nfs/dbraw/zinc/90/77/75/564907775.db2.gz VZLWOTGVNNLJNV-LYRGGWFBSA-N 0 1 392.301 2.718 20 0 GFADMN Cc1nc2ccc(CN3CCC(S(=O)(=O)N4CCCC4)CC3)cc2s1 ZINC000558636284 564910046 /nfs/dbraw/zinc/91/00/46/564910046.db2.gz COOKHSNXYURMDQ-UHFFFAOYSA-N 0 1 379.551 2.995 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000531472570 564911353 /nfs/dbraw/zinc/91/13/53/564911353.db2.gz 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565967460 /nfs/dbraw/zinc/96/74/60/565967460.db2.gz LANVXHQCKUXYJE-GFCCVEGCSA-N 0 1 378.274 2.559 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCN([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535253 565971744 /nfs/dbraw/zinc/97/17/44/565971744.db2.gz MGLBTYUATQMIDB-QZTJIDSGSA-N 0 1 386.945 2.821 20 0 GFADMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631783080 565974394 /nfs/dbraw/zinc/97/43/94/565974394.db2.gz IEHSOKWFCRFDAW-DZGCQCFKSA-N 0 1 381.523 2.695 20 0 GFADMN O=c1cc(CN2CCC[C@@H](OC3CCC3)C2)nc2ccc(Br)cn12 ZINC000653813835 565984012 /nfs/dbraw/zinc/98/40/12/565984012.db2.gz FUKCNGDCNPXINM-MRXNPFEDSA-N 0 1 392.297 2.991 20 0 GFADMN CC[C@H](NCc1nnnn1-c1ccccc1Br)[C@@H]1CCCCO1 ZINC000653878323 565986157 /nfs/dbraw/zinc/98/61/57/565986157.db2.gz YFNCJTDPPHGTCK-ZFWWWQNUSA-N 0 1 380.290 2.862 20 0 GFADMN COc1ccc(NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Br ZINC000653977467 565990006 /nfs/dbraw/zinc/99/00/06/565990006.db2.gz IFNBYJHVCFEEFR-LBPRGKRZSA-N 0 1 396.245 2.749 20 0 GFADMN Cc1ccc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075983 565997259 /nfs/dbraw/zinc/99/72/59/565997259.db2.gz JDBPCPKLECIEQB-LRDDRELGSA-N 0 1 377.286 2.775 20 0 GFADMN CO[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1Br ZINC000654426616 566009896 /nfs/dbraw/zinc/00/98/96/566009896.db2.gz PSWNOAIWOWEITG-CPUCHLNUSA-N 0 1 399.329 2.752 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@H](C)c2ccncc2)sc1Br ZINC000678488316 566010691 /nfs/dbraw/zinc/01/06/91/566010691.db2.gz QNFPIUVFFBJMEL-MRVPVSSYSA-N 0 1 376.301 2.691 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@H](C)c2ccncc2)sc1Br ZINC000678488320 566011503 /nfs/dbraw/zinc/01/15/03/566011503.db2.gz QNFPIUVFFBJMEL-QMMMGPOBSA-N 0 1 376.301 2.691 20 0 GFADMN C[C@H](NCc1ccn(C)c(=O)c1)c1cc2c(cc1Br)OCCO2 ZINC000678755951 566019557 /nfs/dbraw/zinc/01/95/57/566019557.db2.gz MPUWBEAWOAZAGR-NSHDSACASA-N 0 1 379.254 2.770 20 0 GFADMN C[C@@H](NCC(=O)N1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000678924620 566024137 /nfs/dbraw/zinc/02/41/37/566024137.db2.gz NUXCFFPXNMUMCE-GFCCVEGCSA-N 0 1 380.286 2.620 20 0 GFADMN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1S(=O)(=O)c1ncc[nH]1 ZINC000632358644 566025069 /nfs/dbraw/zinc/02/50/69/566025069.db2.gz UVGMJIXLYNHNNM-GXFFZTMASA-N 0 1 375.372 2.579 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000608851100 566025544 /nfs/dbraw/zinc/02/55/44/566025544.db2.gz SYROVNRZVKFESR-UHFFFAOYSA-N 0 1 383.809 2.699 20 0 GFADMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n[nH]1 ZINC000632394714 566027624 /nfs/dbraw/zinc/02/76/24/566027624.db2.gz XSJMULKRGCFJLP-LLVKDONJSA-N 0 1 377.388 2.569 20 0 GFADMN CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451444 566033841 /nfs/dbraw/zinc/03/38/41/566033841.db2.gz NFJHAJRQFBRQCN-UHFFFAOYSA-N 0 1 382.517 2.574 20 0 GFADMN C[C@H](CN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)S(C)(=O)=O ZINC000679357155 566039930 /nfs/dbraw/zinc/03/99/30/566039930.db2.gz XWYWCCVIWIBCAQ-DFBGVHRSSA-N 0 1 376.316 2.692 20 0 GFADMN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000655200261 566045894 /nfs/dbraw/zinc/04/58/94/566045894.db2.gz ZSJKFEKWTKWOKR-JTQLQIEISA-N 0 1 376.158 2.711 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000655229189 566047158 /nfs/dbraw/zinc/04/71/58/566047158.db2.gz CDIMXNXFVGAWEO-LLVKDONJSA-N 0 1 381.223 2.541 20 0 GFADMN C[C@H](C(=O)NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc(Br)s1 ZINC000655234396 566048342 /nfs/dbraw/zinc/04/83/42/566048342.db2.gz PCXHDTJECFQUBY-DTWKUNHWSA-N 0 1 385.287 2.900 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c(Cl)c1 ZINC000609795837 566052119 /nfs/dbraw/zinc/05/21/19/566052119.db2.gz AQAPCFXREWKKPD-HSZRJFAPSA-N 0 1 387.866 2.665 20 0 GFADMN COc1ccccc1[C@@H](CO)NC[C@@H](O)COc1cccc(Br)c1 ZINC000679827004 566055483 /nfs/dbraw/zinc/05/54/83/566055483.db2.gz NSRBGIQRCOQLNU-RHSMWYFYSA-N 0 1 396.281 2.521 20 0 GFADMN COC(=O)c1csc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000610161416 566068942 /nfs/dbraw/zinc/06/89/42/566068942.db2.gz LOFRFFVWRCSRDD-UHFFFAOYSA-N 0 1 388.555 2.667 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(F)c(Br)c1 ZINC000610231438 566071398 /nfs/dbraw/zinc/07/13/98/566071398.db2.gz WYHSNKUGCKOKAF-UHFFFAOYSA-N 0 1 384.205 2.978 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](C)Cc2ccccn2)sc1Br ZINC000655651673 566076356 /nfs/dbraw/zinc/07/63/56/566076356.db2.gz PYXWKKLEEAKAIO-QMMMGPOBSA-N 0 1 376.301 2.519 20 0 GFADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1OC(F)(F)F ZINC000655668551 566080090 /nfs/dbraw/zinc/08/00/90/566080090.db2.gz GSIWBTQZPBVNLW-QWHCGFSZSA-N 0 1 378.416 2.880 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC000655668774 566080196 /nfs/dbraw/zinc/08/01/96/566080196.db2.gz IWXWHQHZQXTQHY-DLBZAZTESA-N 0 1 385.917 2.594 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CNC[C@H]1CCCS1(=O)=O ZINC000655747201 566085997 /nfs/dbraw/zinc/08/59/97/566085997.db2.gz BQUINWCSNCDUMD-MRXNPFEDSA-N 0 1 398.326 2.610 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN[C@H](C)C(=O)NCCF ZINC000655770020 566088799 /nfs/dbraw/zinc/08/87/99/566088799.db2.gz WFOFTVGCIXCDOC-GFCCVEGCSA-N 0 1 383.265 2.507 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1NC(C)=O ZINC000681131594 566094489 /nfs/dbraw/zinc/09/44/89/566094489.db2.gz NLAVOSIQXNVZGC-UHFFFAOYSA-N 0 1 388.804 2.953 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)c1ccccc1F ZINC000610898632 566104300 /nfs/dbraw/zinc/10/43/00/566104300.db2.gz MECBEDKSWWTTPK-HNNXBMFYSA-N 0 1 389.807 2.952 20 0 GFADMN CC(C)(C)Oc1nc(NCc2n[nH]c([C@@H]3CCCO3)n2)ncc1Br ZINC000656208782 566114877 /nfs/dbraw/zinc/11/48/77/566114877.db2.gz NZOANIABFHSWBC-JTQLQIEISA-N 0 1 397.277 2.998 20 0 GFADMN Cc1ccc(-c2ncc(CN3CCC[C@@H](CS(N)(=O)=O)C3)s2)cc1C ZINC000656252005 566117781 /nfs/dbraw/zinc/11/77/81/566117781.db2.gz OQLNNGSRHCFGJQ-OAHLLOKOSA-N 0 1 379.551 2.927 20 0 GFADMN Cc1ccc(-c2ncc(CN3CCC[C@H](CS(N)(=O)=O)C3)s2)cc1C ZINC000656252004 566117929 /nfs/dbraw/zinc/11/79/29/566117929.db2.gz OQLNNGSRHCFGJQ-HNNXBMFYSA-N 0 1 379.551 2.927 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN(C[C@H](O)CO)C(C)C ZINC000656263929 566120114 /nfs/dbraw/zinc/12/01/14/566120114.db2.gz APNYXBODILVSDM-KRWDZBQOSA-N 0 1 382.302 2.507 20 0 GFADMN COc1cc(Br)c(CNC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000656268540 566122215 /nfs/dbraw/zinc/12/22/15/566122215.db2.gz FEKGRYKJZYHUCU-RWMBFGLXSA-N 0 1 387.318 2.751 20 0 GFADMN CCOc1cc(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc(Br)c1O ZINC000656268837 566122678 /nfs/dbraw/zinc/12/26/78/566122678.db2.gz HLQDUYGRMZAWTD-LBPRGKRZSA-N 0 1 397.273 2.813 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000681708671 566123177 /nfs/dbraw/zinc/12/31/77/566123177.db2.gz CUUCLXVIVVYTGO-GFCCVEGCSA-N 0 1 380.901 2.728 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000681708672 566123472 /nfs/dbraw/zinc/12/34/72/566123472.db2.gz CUUCLXVIVVYTGO-LBPRGKRZSA-N 0 1 380.901 2.728 20 0 GFADMN CN(CCn1cc(Cn2cc(Br)cn2)nn1)Cc1cccc(F)c1 ZINC000656449897 566126665 /nfs/dbraw/zinc/12/66/65/566126665.db2.gz IXUUNOBKMFPZAO-UHFFFAOYSA-N 0 1 393.264 2.557 20 0 GFADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000611661675 566139376 /nfs/dbraw/zinc/13/93/76/566139376.db2.gz RMDGPPIKYZIMLA-VYDXJSESSA-N 0 1 387.307 2.739 20 0 GFADMN CC(=O)N1CCc2sc(S(=O)(=O)N[C@](C)(C3CC3)C(F)(F)F)cc2C1 ZINC000656731271 566160327 /nfs/dbraw/zinc/16/03/27/566160327.db2.gz NMXTWFMQSZHERY-CQSZACIVSA-N 0 1 396.456 2.662 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)n[nH]1 ZINC000612600755 566167585 /nfs/dbraw/zinc/16/75/85/566167585.db2.gz LLHFAGJJONTVIC-GTTSAUCSSA-N 0 1 393.285 2.701 20 0 GFADMN CC[C@H](CO)N1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 ZINC000612680398 566170213 /nfs/dbraw/zinc/17/02/13/566170213.db2.gz ZGFZBYZNUSKUBJ-GFCCVEGCSA-N 0 1 389.721 2.560 20 0 GFADMN C[N@H+](CCC[N-]S(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000656867816 566170347 /nfs/dbraw/zinc/17/03/47/566170347.db2.gz VATBLVFDEMXEKM-UHFFFAOYSA-N 0 1 398.326 2.645 20 0 GFADMN C[N@@H+](CCC[N-]S(=O)(=O)c1ncccc1Br)Cc1ccccc1 ZINC000656867816 566170348 /nfs/dbraw/zinc/17/03/48/566170348.db2.gz VATBLVFDEMXEKM-UHFFFAOYSA-N 0 1 398.326 2.645 20 0 GFADMN C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000656875270 566171811 /nfs/dbraw/zinc/17/18/11/566171811.db2.gz QFOZDJQIGOBAPU-CYBMUJFWSA-N 0 1 388.521 2.856 20 0 GFADMN Cc1sccc1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000634795912 566179903 /nfs/dbraw/zinc/17/99/03/566179903.db2.gz UJLSEKGAYPBVKN-UHFFFAOYSA-N 0 1 386.520 2.642 20 0 GFADMN Ic1ccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000612982232 566181628 /nfs/dbraw/zinc/18/16/28/566181628.db2.gz KJWQERDIXUVHJF-STQMWFEESA-N 0 1 397.216 2.877 20 0 GFADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)s1 ZINC000683323831 566194697 /nfs/dbraw/zinc/19/46/97/566194697.db2.gz GGZDUBYSHWHLLY-UHFFFAOYSA-N 0 1 399.881 2.993 20 0 GFADMN Cc1c2cc(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)[nH]c2ccc1Br ZINC000613474704 566199045 /nfs/dbraw/zinc/19/90/45/566199045.db2.gz JDJBHCFCMISSIC-MRVPVSSYSA-N 0 1 377.246 2.628 20 0 GFADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613496382 566199847 /nfs/dbraw/zinc/19/98/47/566199847.db2.gz ZLKJLHCIGPNPQI-OLZOCXBDSA-N 0 1 392.257 2.946 20 0 GFADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613496382 566199853 /nfs/dbraw/zinc/19/98/53/566199853.db2.gz ZLKJLHCIGPNPQI-OLZOCXBDSA-N 0 1 392.257 2.946 20 0 GFADMN Cn1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1C(N)=O ZINC000613513265 566200161 /nfs/dbraw/zinc/20/01/61/566200161.db2.gz HXEOPBPRXWWQPG-UHFFFAOYSA-N 0 1 388.225 2.529 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@H](CCO)C1 ZINC000683496355 566203016 /nfs/dbraw/zinc/20/30/16/566203016.db2.gz UCZSHNFDGUWDOY-LLVKDONJSA-N 0 1 379.254 2.525 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000635318957 566205887 /nfs/dbraw/zinc/20/58/87/566205887.db2.gz ZQIAWGRMFWOCQD-KRWDZBQOSA-N 0 1 382.254 2.648 20 0 GFADMN O=C(Cc1cc[nH]c(=O)c1Br)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000683621230 566206522 /nfs/dbraw/zinc/20/65/22/566206522.db2.gz XLOURUQLWPGCSD-UHFFFAOYSA-N 0 1 395.644 2.938 20 0 GFADMN CC(C)N(Cc1cc(Br)ccc1F)C(=O)CCCc1nn[nH]n1 ZINC000635446341 566213713 /nfs/dbraw/zinc/21/37/13/566213713.db2.gz KBCNZDLZPVRSOF-UHFFFAOYSA-N 0 1 384.253 2.861 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)c(Br)c1 ZINC000657063447 566216032 /nfs/dbraw/zinc/21/60/32/566216032.db2.gz XSIHKECVGHORBG-LBPRGKRZSA-N 0 1 375.332 2.909 20 0 GFADMN C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)sc1Cl)[NH+](C)C ZINC000657091039 566221709 /nfs/dbraw/zinc/22/17/09/566221709.db2.gz LFMMUGFTWVEEKK-ZETCQYMHSA-N 0 1 375.741 2.783 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)CC(=O)N(C)C2CCCCC2)c1Br ZINC000684042694 566223705 /nfs/dbraw/zinc/22/37/05/566223705.db2.gz SNFDYVSHBPEOML-UHFFFAOYSA-N 0 1 385.306 2.598 20 0 GFADMN Cc1nc(CS(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cs1 ZINC000684094134 566226217 /nfs/dbraw/zinc/22/62/17/566226217.db2.gz BOMGGVITJLLHSW-WMZOPIPTSA-N 0 1 377.535 2.898 20 0 GFADMN CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736609307 598873024 /nfs/dbraw/zinc/87/30/24/598873024.db2.gz PQTPQTCEENRGEZ-OLZOCXBDSA-N 0 1 392.891 2.596 20 0 GFADMN CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccco1 ZINC000736534499 598961291 /nfs/dbraw/zinc/96/12/91/598961291.db2.gz POFSPSSFZARZMN-OAHLLOKOSA-N 0 1 378.440 2.898 20 0 GFADMN CC[NH+](CC)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccco1 ZINC000736534499 598961292 /nfs/dbraw/zinc/96/12/92/598961292.db2.gz POFSPSSFZARZMN-OAHLLOKOSA-N 0 1 378.440 2.898 20 0 GFADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738432423 598965919 /nfs/dbraw/zinc/96/59/19/598965919.db2.gz FUXZKRWQFFIMMY-MRXNPFEDSA-N 0 1 392.511 2.902 20 0 GFADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738432423 598965920 /nfs/dbraw/zinc/96/59/20/598965920.db2.gz FUXZKRWQFFIMMY-MRXNPFEDSA-N 0 1 392.511 2.902 20 0 GFADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736285975 598988816 /nfs/dbraw/zinc/98/88/16/598988816.db2.gz LJGKVNQQKRWVDN-BLLLJJGKSA-N 0 1 390.463 2.741 20 0 GFADMN CCN(CC)[C@@H](C(=O)NCc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1 ZINC000821175392 599173788 /nfs/dbraw/zinc/17/37/88/599173788.db2.gz LPXRBSNYWQUHAT-GOSISDBHSA-N 0 1 382.443 2.705 20 0 GFADMN c1ccc(-c2n[nH]c(SCCCOc3ccc(-c4nn[nH]n4)cc3)n2)nc1 ZINC000738423721 599223343 /nfs/dbraw/zinc/22/33/43/599223343.db2.gz SZPFUCLZAKWITM-UHFFFAOYSA-N 0 1 380.437 2.608 20 0 GFADMN CC[C@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736400769 599235258 /nfs/dbraw/zinc/23/52/58/599235258.db2.gz BYLKWHHEKLJCIP-HNNXBMFYSA-N 0 1 394.483 2.503 20 0 GFADMN CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736400769 599235260 /nfs/dbraw/zinc/23/52/60/599235260.db2.gz BYLKWHHEKLJCIP-HNNXBMFYSA-N 0 1 394.483 2.503 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532712845 597072721 /nfs/dbraw/zinc/07/27/21/597072721.db2.gz XPYPARJBADUWPI-UONOGXRCSA-N 0 1 375.494 2.830 20 0 GFADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676232619 597075160 /nfs/dbraw/zinc/07/51/60/597075160.db2.gz FSCSOLYRIGXJNC-QAPCUYQASA-N 0 1 390.480 2.554 20 0 GFADMN O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000819617942 597340398 /nfs/dbraw/zinc/34/03/98/597340398.db2.gz GJERXHVEOLFASK-GOSISDBHSA-N 0 1 381.476 3.000 20 0 GFADMN CC(=O)Nc1cccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000735488352 598250236 /nfs/dbraw/zinc/25/02/36/598250236.db2.gz KOMHDOHFIYPLTB-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN COc1cccc(-c2n[nH]cc2CNCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737121457 598315200 /nfs/dbraw/zinc/31/52/00/598315200.db2.gz ZCDBTVUHTQPQSI-UHFFFAOYSA-N 0 1 379.399 2.694 20 0 GFADMN CC(C)[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000735881213 598323033 /nfs/dbraw/zinc/32/30/33/598323033.db2.gz HDIARKVJXXWVOB-LBPRGKRZSA-N 0 1 393.948 2.927 20 0 GFADMN Cc1c(Br)cccc1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000737202191 598381854 /nfs/dbraw/zinc/38/18/54/598381854.db2.gz LCXKSKVRDMQQTQ-UHFFFAOYSA-N 0 1 394.254 2.738 20 0 GFADMN Clc1cc(-c2nn[nH]n2)cnc1NCC1(N2CCSCC2)CCCC1 ZINC000737557196 598390018 /nfs/dbraw/zinc/39/00/18/598390018.db2.gz DBCSHLBZAGCIQC-UHFFFAOYSA-N 0 1 379.921 2.689 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccc1Cl ZINC000736532803 598438157 /nfs/dbraw/zinc/43/81/57/598438157.db2.gz CXDJLOXOOGLPBV-KRWDZBQOSA-N 0 1 399.886 2.728 20 0 GFADMN COC1CC[NH+](C2(CNc3snc(Cl)c3-c3nnn[n-]3)CCCC2)CC1 ZINC000736966573 598469211 /nfs/dbraw/zinc/46/92/11/598469211.db2.gz VIBVNXNEMBSTJA-UHFFFAOYSA-N 0 1 397.936 2.812 20 0 GFADMN COC1CC[NH+](C2(CNc3snc(Cl)c3-c3nn[n-]n3)CCCC2)CC1 ZINC000736966573 598469212 /nfs/dbraw/zinc/46/92/12/598469212.db2.gz VIBVNXNEMBSTJA-UHFFFAOYSA-N 0 1 397.936 2.812 20 0 GFADMN CC(C)(C)c1ccc(S(=O)(=O)CCNCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735652169 598471211 /nfs/dbraw/zinc/47/12/11/598471211.db2.gz CSMRRRMMCJFMPP-UHFFFAOYSA-N 0 1 399.520 2.728 20 0 GFADMN c1nc(-c2nn[nH]n2)nn1-c1nc(C2CCCCC2)nc2sc3c(c21)CCC3 ZINC000738452316 598593012 /nfs/dbraw/zinc/59/30/12/598593012.db2.gz OTVZQCNDPICFAY-UHFFFAOYSA-N 0 1 393.480 2.989 20 0 GFADMN C[NH+](C)CCCOc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000736766823 598674696 /nfs/dbraw/zinc/67/46/96/598674696.db2.gz FLNZOVUFZXHBOX-UHFFFAOYSA-N 0 1 393.904 2.919 20 0 GFADMN C[NH+](C)CCCOc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000736766823 598674697 /nfs/dbraw/zinc/67/46/97/598674697.db2.gz FLNZOVUFZXHBOX-UHFFFAOYSA-N 0 1 393.904 2.919 20 0 GFADMN CCCCN(CCCC)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736457405 598719162 /nfs/dbraw/zinc/71/91/62/598719162.db2.gz UDWPWKJITPWPCE-UHFFFAOYSA-N 0 1 382.468 2.610 20 0 GFADMN COc1ccccc1OCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000737156290 598721209 /nfs/dbraw/zinc/72/12/09/598721209.db2.gz SHZJKAYWDXDZBP-UHFFFAOYSA-N 0 1 397.822 2.923 20 0 GFADMN CC(C)(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000735585721 598721698 /nfs/dbraw/zinc/72/16/98/598721698.db2.gz DIIWWSSOEBBZHI-UHFFFAOYSA-N 0 1 390.241 2.559 20 0 GFADMN c1cc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c2c(c1)OCCO2 ZINC000738412763 598765988 /nfs/dbraw/zinc/76/59/88/598765988.db2.gz MXYNBNWESXYYDV-UHFFFAOYSA-N 0 1 393.447 2.681 20 0 GFADMN C[C@@H]1C[C@H]1COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736236221 598786069 /nfs/dbraw/zinc/78/60/69/598786069.db2.gz IPUUMZZZLBCXJR-YPMHNXCESA-N 0 1 398.423 2.530 20 0 GFADMN FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)o3)CC2)nc1 ZINC000822724094 599404299 /nfs/dbraw/zinc/40/42/99/599404299.db2.gz ZAARGNFNZNRGPS-UHFFFAOYSA-N 0 1 393.373 2.632 20 0 GFADMN FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)o3)CC2)nc1 ZINC000822724094 599404300 /nfs/dbraw/zinc/40/43/00/599404300.db2.gz ZAARGNFNZNRGPS-UHFFFAOYSA-N 0 1 393.373 2.632 20 0 GFADMN CCN1CCN(c2ccc(CNc3c(Cl)cccc3-c3nn[nH]n3)cn2)CC1 ZINC000821277429 599480104 /nfs/dbraw/zinc/48/01/04/599480104.db2.gz SNNLBBWKHBYGIE-UHFFFAOYSA-N 0 1 398.902 2.669 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CNCc1ccnc(OC2CCCC2)c1 ZINC000738413808 599486018 /nfs/dbraw/zinc/48/60/18/599486018.db2.gz XLXSQSBZLRISQN-UHFFFAOYSA-N 0 1 390.451 2.521 20 0 GFADMN COc1ccc(OC)c(CN2CC[NH+]([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000738047657 599709513 /nfs/dbraw/zinc/70/95/13/599709513.db2.gz HYNSKVYHDDQAAB-HXUWFJFHSA-N 0 1 388.439 2.786 20 0 GFADMN O=C([O-])NCCC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000739948664 599720834 /nfs/dbraw/zinc/72/08/34/599720834.db2.gz WYCWNBLAEWYLPW-UHFFFAOYSA-N 0 1 396.491 2.601 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+](C)C[C@H]3CCCOC3)c2C(=O)[O-])C1 ZINC000736803641 599763612 /nfs/dbraw/zinc/76/36/12/599763612.db2.gz ZUDBEEGNNCLOFV-CHWSQXEVSA-N 0 1 380.510 2.868 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736790766 599770890 /nfs/dbraw/zinc/77/08/90/599770890.db2.gz YYIZTHZXOFLIQK-CQSZACIVSA-N 0 1 392.477 2.831 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413226 599792689 /nfs/dbraw/zinc/79/26/89/599792689.db2.gz JCLXVJKBACPMNA-GFCCVEGCSA-N 0 1 397.497 2.574 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413226 599792691 /nfs/dbraw/zinc/79/26/91/599792691.db2.gz JCLXVJKBACPMNA-GFCCVEGCSA-N 0 1 397.497 2.574 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)c(C(=O)[O-])c1C ZINC000737720769 599874874 /nfs/dbraw/zinc/87/48/74/599874874.db2.gz UPZLXVWIPIBQRS-GFCCVEGCSA-N 0 1 380.466 2.744 20 0 GFADMN CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1C(=O)[O-] ZINC000737321489 599885687 /nfs/dbraw/zinc/88/56/87/599885687.db2.gz CJYOFLMDFYRILP-MRXNPFEDSA-N 0 1 382.416 2.913 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1C(=O)[O-] ZINC000737321489 599885688 /nfs/dbraw/zinc/88/56/88/599885688.db2.gz CJYOFLMDFYRILP-MRXNPFEDSA-N 0 1 382.416 2.913 20 0 GFADMN O=C([O-])Nc1cccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000740032739 599930925 /nfs/dbraw/zinc/93/09/25/599930925.db2.gz ZREMTIFMZRWOIH-UHFFFAOYSA-N 0 1 396.491 2.714 20 0 GFADMN O=C([O-])[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000165464761 600022791 /nfs/dbraw/zinc/02/27/91/600022791.db2.gz GXVIJJSZOJHQFE-MAUKXSAKSA-N 0 1 384.398 2.764 20 0 GFADMN Cc1onc2c1c(C(=O)[O-])nn(C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)c2=O ZINC000738989863 600033183 /nfs/dbraw/zinc/03/31/83/600033183.db2.gz JLRBTCBKFHTFRX-INIZCTEOSA-N 0 1 388.399 2.865 20 0 GFADMN Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410983 600047753 /nfs/dbraw/zinc/04/77/53/600047753.db2.gz LYCIFTXFGKRFDA-YJBOKZPZSA-N 0 1 395.459 2.583 20 0 GFADMN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000740080186 600083288 /nfs/dbraw/zinc/08/32/88/600083288.db2.gz YHBPAZVIHNKAFQ-UHFFFAOYSA-N 0 1 386.423 2.613 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736486 600095425 /nfs/dbraw/zinc/09/54/25/600095425.db2.gz NOWTXBIBQUWDHF-WMZOPIPTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736486 600095427 /nfs/dbraw/zinc/09/54/27/600095427.db2.gz NOWTXBIBQUWDHF-WMZOPIPTSA-N 0 1 396.491 2.527 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1cc(C(=O)OC)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000736915054 600129345 /nfs/dbraw/zinc/12/93/45/600129345.db2.gz BVIGJDFKDJBVOM-OAQYLSRUSA-N 0 1 384.432 2.700 20 0 GFADMN COc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1C(=O)[O-] ZINC000737997187 600166177 /nfs/dbraw/zinc/16/61/77/600166177.db2.gz MSBNJYITHHYIET-QGZVFWFLSA-N 0 1 376.840 2.966 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000739623577 600179525 /nfs/dbraw/zinc/17/95/25/600179525.db2.gz DLMJOIIWHNBLGT-WOJBJXKFSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000739623577 600179526 /nfs/dbraw/zinc/17/95/26/600179526.db2.gz DLMJOIIWHNBLGT-WOJBJXKFSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000739285086 600215796 /nfs/dbraw/zinc/21/57/96/600215796.db2.gz BCPUGLGPURMRQM-QZTJIDSGSA-N 0 1 381.432 2.710 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000739285086 600215798 /nfs/dbraw/zinc/21/57/98/600215798.db2.gz BCPUGLGPURMRQM-QZTJIDSGSA-N 0 1 381.432 2.710 20 0 GFADMN CC[C@@](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736906578 600258145 /nfs/dbraw/zinc/25/81/45/600258145.db2.gz LOGCNHRKLQUIET-GCJKJVERSA-N 0 1 381.476 2.800 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000736789995 600285670 /nfs/dbraw/zinc/28/56/70/600285670.db2.gz SHGPFBBJKJBZFH-GJZGRUSLSA-N 0 1 379.526 2.971 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000736790003 600285831 /nfs/dbraw/zinc/28/58/31/600285831.db2.gz SHGPFBBJKJBZFH-LSDHHAIUSA-N 0 1 379.526 2.971 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1cc(C3CC3)nn1-c1ccccc1)CC2 ZINC000739277845 600306400 /nfs/dbraw/zinc/30/64/00/600306400.db2.gz JDNSICAEMFDDLD-KRWDZBQOSA-N 0 1 394.475 2.875 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000184967893 600309762 /nfs/dbraw/zinc/30/97/62/600309762.db2.gz BBXNBHOBPNZDPA-RDJZCZTQSA-N 0 1 394.537 2.968 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000184967327 600310384 /nfs/dbraw/zinc/31/03/84/600310384.db2.gz WQJNLZAIHKPMFQ-CVEARBPZSA-N 0 1 380.510 2.660 20 0 GFADMN COc1cccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738105897 600328449 /nfs/dbraw/zinc/32/84/49/600328449.db2.gz FUEKNASOOVGWEO-UHFFFAOYSA-N 0 1 378.375 2.889 20 0 GFADMN COc1cccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738105897 600328450 /nfs/dbraw/zinc/32/84/50/600328450.db2.gz FUEKNASOOVGWEO-UHFFFAOYSA-N 0 1 378.375 2.889 20 0 GFADMN Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1)CCC2 ZINC000571691636 600336408 /nfs/dbraw/zinc/33/64/08/600336408.db2.gz GKEJEHJLBJYQPG-PBHICJAKSA-N 0 1 376.478 2.899 20 0 GFADMN O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)CC2 ZINC000739524267 600337978 /nfs/dbraw/zinc/33/79/78/600337978.db2.gz AWJGDDKQDLKFTN-MRXNPFEDSA-N 0 1 389.521 2.954 20 0 GFADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000736573428 600361247 /nfs/dbraw/zinc/36/12/47/600361247.db2.gz VIYIMFPDMNWKJT-STQMWFEESA-N 0 1 389.477 2.980 20 0 GFADMN COc1ccc(C2=NN(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000737982424 600366955 /nfs/dbraw/zinc/36/69/55/600366955.db2.gz OOJOGDZMRJLEIQ-KDOFPFPSSA-N 0 1 399.447 2.618 20 0 GFADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000738526583 600399432 /nfs/dbraw/zinc/39/94/32/600399432.db2.gz WLOQLJYAUSTHML-KNQAVFIVSA-N 0 1 394.519 2.742 20 0 GFADMN CC[N@H+](CCC(=O)[O-])CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000737097264 600424679 /nfs/dbraw/zinc/42/46/79/600424679.db2.gz MWZDEOHZRWZVKD-FQEVSTJZSA-N 0 1 375.469 2.505 20 0 GFADMN CC[N@@H+](CCC(=O)[O-])CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000737097264 600424682 /nfs/dbraw/zinc/42/46/82/600424682.db2.gz MWZDEOHZRWZVKD-FQEVSTJZSA-N 0 1 375.469 2.505 20 0 GFADMN CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)C1 ZINC000737232058 600437000 /nfs/dbraw/zinc/43/70/00/600437000.db2.gz WHBSDVORFDKNNS-HZPDHXFCSA-N 0 1 383.510 2.741 20 0 GFADMN CC(C)c1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c(C(=O)[O-])c1 ZINC000736515148 600492881 /nfs/dbraw/zinc/49/28/81/600492881.db2.gz KHBGRRWCTRSBMO-UHFFFAOYSA-N 0 1 382.464 2.907 20 0 GFADMN O=C([O-])[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000263204956 600496532 /nfs/dbraw/zinc/49/65/32/600496532.db2.gz HZXHJVWEVIHOHR-ZBFHGGJFSA-N 0 1 399.413 2.786 20 0 GFADMN C[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736214448 600527796 /nfs/dbraw/zinc/52/77/96/600527796.db2.gz HBJFBXTVBOPEJU-FOIQADDNSA-N 0 1 379.460 2.800 20 0 GFADMN O=C([O-])c1n[nH]c2ccc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000740277898 600568716 /nfs/dbraw/zinc/56/87/16/600568716.db2.gz PTDIZRVDKJNENL-UHFFFAOYSA-N 0 1 379.420 2.611 20 0 GFADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@H](CC(C)C)NC(=O)[O-])CC[N@H+]2C)cc1 ZINC000737984014 600573214 /nfs/dbraw/zinc/57/32/14/600573214.db2.gz WQPZZWUHHWZGQP-RYQLBKOJSA-N 0 1 378.469 2.914 20 0 GFADMN C[NH+]1CCN([C@H](CNC(=O)c2ccccc2NC(=O)[O-])c2cccs2)CC1 ZINC000737526663 600591888 /nfs/dbraw/zinc/59/18/88/600591888.db2.gz WDAMPWKMORQSGE-MRXNPFEDSA-N 0 1 388.493 2.557 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000740024599 600644414 /nfs/dbraw/zinc/64/44/14/600644414.db2.gz GTNVDNOJDMXMKB-IBGZPJMESA-N 0 1 383.448 2.936 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000740024599 600644415 /nfs/dbraw/zinc/64/44/15/600644415.db2.gz GTNVDNOJDMXMKB-IBGZPJMESA-N 0 1 383.448 2.936 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000737166056 600647658 /nfs/dbraw/zinc/64/76/58/600647658.db2.gz ASQHJVRLOONETB-VQIMIIECSA-N 0 1 391.512 2.663 20 0 GFADMN COC(=O)c1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1C(=O)[O-] ZINC000831424831 600652957 /nfs/dbraw/zinc/65/29/57/600652957.db2.gz YKMUNGVPEKZIMO-UHFFFAOYSA-N 0 1 391.468 2.948 20 0 GFADMN Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1C(=O)[O-] ZINC000285133996 600691592 /nfs/dbraw/zinc/69/15/92/600691592.db2.gz QUCBNRQBUVWVDS-MRXNPFEDSA-N 0 1 394.518 2.870 20 0 GFADMN O=C([O-])c1cccc(-c2noc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000833327578 600693375 /nfs/dbraw/zinc/69/33/75/600693375.db2.gz CXMNRZFZEGBFSB-UHFFFAOYSA-N 0 1 378.432 2.753 20 0 GFADMN CC(C)(CNS(=O)(=O)c1csc(C(=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000550861034 600703935 /nfs/dbraw/zinc/70/39/35/600703935.db2.gz USNFTHCLVWKPLL-UHFFFAOYSA-N 0 1 394.518 2.562 20 0 GFADMN CC(C)(CNS(=O)(=O)c1csc(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000550861034 600703938 /nfs/dbraw/zinc/70/39/38/600703938.db2.gz USNFTHCLVWKPLL-UHFFFAOYSA-N 0 1 394.518 2.562 20 0 GFADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000737165926 600719205 /nfs/dbraw/zinc/71/92/05/600719205.db2.gz WLQHXUZBYIDZJQ-QWRGUYRKSA-N 0 1 379.482 2.627 20 0 GFADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1(C)C ZINC000737165926 600719207 /nfs/dbraw/zinc/71/92/07/600719207.db2.gz WLQHXUZBYIDZJQ-QWRGUYRKSA-N 0 1 379.482 2.627 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000382556976 600726586 /nfs/dbraw/zinc/72/65/86/600726586.db2.gz LZCOECFLXSBDSA-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000382556976 600726590 /nfs/dbraw/zinc/72/65/90/600726590.db2.gz LZCOECFLXSBDSA-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000382606492 600726711 /nfs/dbraw/zinc/72/67/11/600726711.db2.gz XFGSZUBMHODWMA-MRXNPFEDSA-N 0 1 388.489 2.670 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263281047 600753471 /nfs/dbraw/zinc/75/34/71/600753471.db2.gz TUMIMGHZXPVMMK-SFHVURJKSA-N 0 1 385.464 2.918 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263281047 600753473 /nfs/dbraw/zinc/75/34/73/600753473.db2.gz TUMIMGHZXPVMMK-SFHVURJKSA-N 0 1 385.464 2.918 20 0 GFADMN C[C@H](NC(=O)c1ccccc1NC(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736658063 600790433 /nfs/dbraw/zinc/79/04/33/600790433.db2.gz ALLXSIBFAJILPJ-HNAYVOBHSA-N 0 1 383.448 2.796 20 0 GFADMN C[C@H](NC(=O)c1ccccc1NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736658063 600790434 /nfs/dbraw/zinc/79/04/34/600790434.db2.gz ALLXSIBFAJILPJ-HNAYVOBHSA-N 0 1 383.448 2.796 20 0 GFADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)[O-])CC1 ZINC000818224377 600815464 /nfs/dbraw/zinc/81/54/64/600815464.db2.gz DGYKAKMTHXVXSI-LLVKDONJSA-N 0 1 382.482 2.611 20 0 GFADMN O=C([O-])c1cccc(-c2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cs2)c1 ZINC000833325942 600818353 /nfs/dbraw/zinc/81/83/53/600818353.db2.gz CVUBBONYYGGHJB-UHFFFAOYSA-N 0 1 385.489 2.999 20 0 GFADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736827037 600951567 /nfs/dbraw/zinc/95/15/67/600951567.db2.gz ZWXMRLRSJKUXTN-JXFKEZNVSA-N 0 1 395.459 2.921 20 0 GFADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000736827037 600951569 /nfs/dbraw/zinc/95/15/69/600951569.db2.gz ZWXMRLRSJKUXTN-JXFKEZNVSA-N 0 1 395.459 2.921 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659756946 600954692 /nfs/dbraw/zinc/95/46/92/600954692.db2.gz IKZJNTWGKSKKGQ-SFHVURJKSA-N 0 1 382.460 2.744 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000739622283 600979090 /nfs/dbraw/zinc/97/90/90/600979090.db2.gz HHXGFGYEZVWOEZ-NQIIRXRSSA-N 0 1 378.472 2.589 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(OCC[NH+](C)C)c1 ZINC000832953014 600984590 /nfs/dbraw/zinc/98/45/90/600984590.db2.gz WCLKJFGBKFRURQ-UHFFFAOYSA-N 0 1 392.477 2.743 20 0 GFADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000581016936 600995273 /nfs/dbraw/zinc/99/52/73/600995273.db2.gz LSMDIGIGJRCBSW-SJLPKXTDSA-N 0 1 382.526 2.629 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])ccc1Br ZINC000314074541 601015789 /nfs/dbraw/zinc/01/57/89/601015789.db2.gz UHYJHMUHXWNGEW-LBPRGKRZSA-N 0 1 387.299 2.588 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])ccc1Br ZINC000314074541 601015793 /nfs/dbraw/zinc/01/57/93/601015793.db2.gz UHYJHMUHXWNGEW-LBPRGKRZSA-N 0 1 387.299 2.588 20 0 GFADMN CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC000829457940 601043154 /nfs/dbraw/zinc/04/31/54/601043154.db2.gz GAOQRZKKCHCQRA-CQSZACIVSA-N 0 1 393.553 2.927 20 0 GFADMN CC(C)C[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000424378244 601047234 /nfs/dbraw/zinc/04/72/34/601047234.db2.gz FYALARNEFDPIFG-NVXWUHKLSA-N 0 1 377.485 2.948 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Nc3ccn(CC(=O)[O-])n3)cc2)C1 ZINC000828160343 601057910 /nfs/dbraw/zinc/05/79/10/601057910.db2.gz GQJITEIQMIYNCM-IYBDPMFKSA-N 0 1 399.495 2.767 20 0 GFADMN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000737565408 601089962 /nfs/dbraw/zinc/08/99/62/601089962.db2.gz WWYPFGQLMGXKOW-GFCCVEGCSA-N 0 1 379.844 2.812 20 0 GFADMN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000737565408 601089965 /nfs/dbraw/zinc/08/99/65/601089965.db2.gz WWYPFGQLMGXKOW-GFCCVEGCSA-N 0 1 379.844 2.812 20 0 GFADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000630226977 601103751 /nfs/dbraw/zinc/10/37/51/601103751.db2.gz YEWURFJSXAMVSX-GFCCVEGCSA-N 0 1 377.828 2.616 20 0 GFADMN COC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000831419684 601106721 /nfs/dbraw/zinc/10/67/21/601106721.db2.gz XUXJYSVIUNNVEA-MRXNPFEDSA-N 0 1 397.431 2.567 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828295812 601119716 /nfs/dbraw/zinc/11/97/16/601119716.db2.gz QCFFLLJFILOLLA-KRWDZBQOSA-N 0 1 381.476 2.920 20 0 GFADMN Cc1cc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000578231048 601174287 /nfs/dbraw/zinc/17/42/87/601174287.db2.gz WVFGBBQPXZWGAP-INIZCTEOSA-N 0 1 397.475 2.659 20 0 GFADMN O=C([O-])c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000649461268 601183450 /nfs/dbraw/zinc/18/34/50/601183450.db2.gz OWEZRRWNLIRBSN-JOCHJYFZSA-N 0 1 379.460 2.908 20 0 GFADMN C[N@@H+](CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)C1CCCCC1 ZINC000830773552 601214777 /nfs/dbraw/zinc/21/47/77/601214777.db2.gz YNWIVHYQVWXCMC-JLHYYAGUSA-N 0 1 380.510 2.717 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000828214131 601225060 /nfs/dbraw/zinc/22/50/60/601225060.db2.gz IPKINFHOANTVHX-PSISDENSSA-N 0 1 392.521 2.810 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)C1 ZINC000829126112 601241826 /nfs/dbraw/zinc/24/18/26/601241826.db2.gz UWRGRGAAEPHVKX-AWEZNQCLSA-N 0 1 398.525 2.572 20 0 GFADMN C[C@H](CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000379624663 601260833 /nfs/dbraw/zinc/26/08/33/601260833.db2.gz FGYAOWVEHOVBPZ-CQSZACIVSA-N 0 1 394.468 2.713 20 0 GFADMN O=C([O-])COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000833259272 601287097 /nfs/dbraw/zinc/28/70/97/601287097.db2.gz KCJRUNIBXTVOQA-LJQANCHMSA-N 0 1 386.423 2.570 20 0 GFADMN O=C([O-])COc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000833259272 601287098 /nfs/dbraw/zinc/28/70/98/601287098.db2.gz KCJRUNIBXTVOQA-LJQANCHMSA-N 0 1 386.423 2.570 20 0 GFADMN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829619061 601375122 /nfs/dbraw/zinc/37/51/22/601375122.db2.gz RDFBAPHVTHINPW-QRWLVFNGSA-N 0 1 382.460 2.813 20 0 GFADMN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829619061 601375125 /nfs/dbraw/zinc/37/51/25/601375125.db2.gz RDFBAPHVTHINPW-QRWLVFNGSA-N 0 1 382.460 2.813 20 0 GFADMN CN(C(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000830478387 601375396 /nfs/dbraw/zinc/37/53/96/601375396.db2.gz RJBYXVABSSGFPN-FQEVSTJZSA-N 0 1 382.460 2.720 20 0 GFADMN O=C([O-])c1nn(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c2ccccc21 ZINC000833129928 601399506 /nfs/dbraw/zinc/39/95/06/601399506.db2.gz UNQXSSGKJAIEPH-UHFFFAOYSA-N 0 1 384.461 2.648 20 0 GFADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@](F)(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924371 601450207 /nfs/dbraw/zinc/45/02/07/601450207.db2.gz IZYOCIZSUOWBSF-KCZVDYSFSA-N 0 1 387.451 2.961 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000737757236 601477191 /nfs/dbraw/zinc/47/71/91/601477191.db2.gz VDNKDCRNJSHORM-BEFAXECRSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000737757236 601477192 /nfs/dbraw/zinc/47/71/92/601477192.db2.gz VDNKDCRNJSHORM-BEFAXECRSA-N 0 1 383.448 2.656 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])cc(=O)oc2c1 ZINC000825913823 601545618 /nfs/dbraw/zinc/54/56/18/601545618.db2.gz ZSSNWWABSABSCV-NRFANRHFSA-N 0 1 392.411 2.935 20 0 GFADMN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000828671253 601555099 /nfs/dbraw/zinc/55/50/99/601555099.db2.gz BWLXFGHBABPZNT-QGZVFWFLSA-N 0 1 378.454 2.532 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000831259299 601564098 /nfs/dbraw/zinc/56/40/98/601564098.db2.gz ZYSXMPPXWZSANS-KUHUBIRLSA-N 0 1 396.443 2.815 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000831259299 601564100 /nfs/dbraw/zinc/56/41/00/601564100.db2.gz ZYSXMPPXWZSANS-KUHUBIRLSA-N 0 1 396.443 2.815 20 0 GFADMN Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000517035727 601568102 /nfs/dbraw/zinc/56/81/02/601568102.db2.gz QALNPRBFFDUAMF-OXQOHEQNSA-N 0 1 395.459 2.848 20 0 GFADMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000517035727 601568104 /nfs/dbraw/zinc/56/81/04/601568104.db2.gz QALNPRBFFDUAMF-OXQOHEQNSA-N 0 1 395.459 2.848 20 0 GFADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000828252392 601728529 /nfs/dbraw/zinc/72/85/29/601728529.db2.gz TWPNFFJKIBLKEZ-JUXOCIIHSA-N 0 1 388.508 2.817 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCOc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128874 601729754 /nfs/dbraw/zinc/72/97/54/601729754.db2.gz OVVRCSCDCBBBMS-WMZHIEFXSA-N 0 1 394.471 2.788 20 0 GFADMN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000832169824 601730444 /nfs/dbraw/zinc/73/04/44/601730444.db2.gz QALMPXLDQYOSHZ-OAQYLSRUSA-N 0 1 386.423 2.684 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129031 601733862 /nfs/dbraw/zinc/73/38/62/601733862.db2.gz SMNMEZGQPNGANF-REWPJTCUSA-N 0 1 378.472 2.952 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc(OC)c1 ZINC000831996453 601779298 /nfs/dbraw/zinc/77/92/98/601779298.db2.gz WFPOPMFRCXKRMR-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2)cc(OC)c1 ZINC000831996453 601779300 /nfs/dbraw/zinc/77/93/00/601779300.db2.gz WFPOPMFRCXKRMR-QGZVFWFLSA-N 0 1 399.447 2.798 20 0 GFADMN CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCC(=O)[O-])CC3)C2=O)cc1 ZINC000829532374 601788137 /nfs/dbraw/zinc/78/81/37/601788137.db2.gz GJCRDUXVEONXHL-GOSISDBHSA-N 0 1 388.464 2.684 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)[NH+](C)C)cc1 ZINC000184944749 601836440 /nfs/dbraw/zinc/83/64/40/601836440.db2.gz FHJJENUGMWJKCC-KRWDZBQOSA-N 0 1 396.896 2.928 20 0 GFADMN Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000738615143 601918122 /nfs/dbraw/zinc/91/81/22/601918122.db2.gz JHHZTBYKSWODDB-SFHVURJKSA-N 0 1 390.484 2.650 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000828024533 601919538 /nfs/dbraw/zinc/91/95/38/601919538.db2.gz RHYJWVWYWHWICI-NRFANRHFSA-N 0 1 381.432 2.674 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012699 601919754 /nfs/dbraw/zinc/91/97/54/601919754.db2.gz IJALIVKXLNHNDV-JQWIXIFHSA-N 0 1 392.399 2.804 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012699 601919757 /nfs/dbraw/zinc/91/97/57/601919757.db2.gz IJALIVKXLNHNDV-JQWIXIFHSA-N 0 1 392.399 2.804 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000828020229 601931567 /nfs/dbraw/zinc/93/15/67/601931567.db2.gz MRGBQWFNGTYFCX-NFBKMPQASA-N 0 1 378.472 2.957 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CC(=O)Nc2ccccc2OC(F)F)C2CC2)CC1 ZINC000740368500 601932214 /nfs/dbraw/zinc/93/22/14/601932214.db2.gz VYEWBKOFNFJRHS-UHFFFAOYSA-N 0 1 383.395 2.833 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)[C@@H](C)C1 ZINC000829753562 601947434 /nfs/dbraw/zinc/94/74/34/601947434.db2.gz QDXXXPDFFVCQHR-WFASDCNBSA-N 0 1 379.457 2.596 20 0 GFADMN C[NH+]1CCN(c2ccc(NC(=O)C3CCC(NC(=O)[O-])CC3)cc2Cl)CC1 ZINC000739735662 601947677 /nfs/dbraw/zinc/94/76/77/601947677.db2.gz CDTJXDZOMWSQAT-UHFFFAOYSA-N 0 1 394.903 2.857 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000740645209 601965220 /nfs/dbraw/zinc/96/52/20/601965220.db2.gz XFLNLDWJPFNLGJ-KRWDZBQOSA-N 0 1 383.448 2.794 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000740645209 601965222 /nfs/dbraw/zinc/96/52/22/601965222.db2.gz XFLNLDWJPFNLGJ-KRWDZBQOSA-N 0 1 383.448 2.794 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)cc1F ZINC000740236473 602016289 /nfs/dbraw/zinc/01/62/89/602016289.db2.gz LYDLKTAWZNYTJC-UHFFFAOYSA-N 0 1 389.431 2.509 20 0 GFADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C12CCC2 ZINC000829917142 602058544 /nfs/dbraw/zinc/05/85/44/602058544.db2.gz CMQYQOZVKPLGGN-RYUDHWBXSA-N 0 1 391.493 2.771 20 0 GFADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C12CCC2 ZINC000829917142 602058546 /nfs/dbraw/zinc/05/85/46/602058546.db2.gz CMQYQOZVKPLGGN-RYUDHWBXSA-N 0 1 391.493 2.771 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@H](C)Cc3ccc(O)cc3)nc(=O)c12 ZINC000832852567 602061884 /nfs/dbraw/zinc/06/18/84/602061884.db2.gz APXCDWJBLOFCIX-SNVBAGLBSA-N 0 1 387.461 2.760 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@H](C)Cc3ccc(O)cc3)nc(=O)c12 ZINC000832852567 602061887 /nfs/dbraw/zinc/06/18/87/602061887.db2.gz APXCDWJBLOFCIX-SNVBAGLBSA-N 0 1 387.461 2.760 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738916238 602097315 /nfs/dbraw/zinc/09/73/15/602097315.db2.gz LDWIYFMYZWGGIK-CABCVRRESA-N 0 1 394.541 2.526 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738916238 602097319 /nfs/dbraw/zinc/09/73/19/602097319.db2.gz LDWIYFMYZWGGIK-CABCVRRESA-N 0 1 394.541 2.526 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740172218 602182411 /nfs/dbraw/zinc/18/24/11/602182411.db2.gz XUZDEOBYWZPGOA-PKOBYXMFSA-N 0 1 388.512 2.601 20 0 GFADMN CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568268647 602209403 /nfs/dbraw/zinc/20/94/03/602209403.db2.gz CCBKBWOCCQMJTA-WOJBJXKFSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568268647 602209405 /nfs/dbraw/zinc/20/94/05/602209405.db2.gz CCBKBWOCCQMJTA-WOJBJXKFSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568268645 602209638 /nfs/dbraw/zinc/20/96/38/602209638.db2.gz CCBKBWOCCQMJTA-UXHICEINSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568268645 602209641 /nfs/dbraw/zinc/20/96/41/602209641.db2.gz CCBKBWOCCQMJTA-UXHICEINSA-N 0 1 382.460 2.794 20 0 GFADMN CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828921665 602213993 /nfs/dbraw/zinc/21/39/93/602213993.db2.gz SAGFLFBVSMQYMS-ZRNYENFQSA-N 0 1 388.508 2.673 20 0 GFADMN CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828921665 602213994 /nfs/dbraw/zinc/21/39/94/602213994.db2.gz SAGFLFBVSMQYMS-ZRNYENFQSA-N 0 1 388.508 2.673 20 0 GFADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1cn(C)nc1C(F)(F)F ZINC000825991714 607554958 /nfs/dbraw/zinc/55/49/58/607554958.db2.gz IGKATMRMUGGFIJ-UHFFFAOYSA-N 0 1 390.373 2.504 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739102187 602286182 /nfs/dbraw/zinc/28/61/82/602286182.db2.gz FRSOREKUHBSTQO-GJZGRUSLSA-N 0 1 378.473 2.575 20 0 GFADMN O=C([O-])NCCOc1cccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000740666656 602286767 /nfs/dbraw/zinc/28/67/67/602286767.db2.gz DLZIOMRHJQPFFQ-UHFFFAOYSA-N 0 1 398.463 2.513 20 0 GFADMN C[C@@H](CNC(=O)Nc1cccc(OCCNC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000739110714 602287180 /nfs/dbraw/zinc/28/71/80/602287180.db2.gz WSOBQAAMBNMEME-GJZGRUSLSA-N 0 1 378.473 2.717 20 0 GFADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1NC(=O)[O-] ZINC000739917217 602293142 /nfs/dbraw/zinc/29/31/42/602293142.db2.gz SXCIRRQWJDRROR-IBGZPJMESA-N 0 1 398.463 2.712 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc2)CC1 ZINC000739735165 602294969 /nfs/dbraw/zinc/29/49/69/602294969.db2.gz PKXWDCLFPPXIJO-FQEVSTJZSA-N 0 1 394.475 2.654 20 0 GFADMN O=C([O-])N[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000740689588 602314526 /nfs/dbraw/zinc/31/45/26/602314526.db2.gz NGCXMCKTEPEVLQ-QUCCMNQESA-N 0 1 381.476 2.676 20 0 GFADMN O=C([O-])C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CCCC1 ZINC000833247160 602339205 /nfs/dbraw/zinc/33/92/05/602339205.db2.gz DGMZEQUJVYUYBM-UHFFFAOYSA-N 0 1 376.350 2.790 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CCCC1 ZINC000833247160 602339208 /nfs/dbraw/zinc/33/92/08/602339208.db2.gz DGMZEQUJVYUYBM-UHFFFAOYSA-N 0 1 376.350 2.790 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739059968 602417987 /nfs/dbraw/zinc/41/79/87/602417987.db2.gz RNIMYJUOTSBWFW-QFBILLFUSA-N 0 1 388.512 2.853 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000739175788 602455776 /nfs/dbraw/zinc/45/57/76/602455776.db2.gz LAFDMNNTIBHCKG-NUJGCVRESA-N 0 1 391.512 2.780 20 0 GFADMN COc1ccccc1CN(C)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739976530 602526977 /nfs/dbraw/zinc/52/69/77/602526977.db2.gz VOPKSNYWJVLTKY-ZWKOTPCHSA-N 0 1 389.496 2.651 20 0 GFADMN C[C@@H](NC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000738963257 602536688 /nfs/dbraw/zinc/53/66/88/602536688.db2.gz VXUZDWGINUJUEF-CHWSQXEVSA-N 0 1 398.301 2.558 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739660699 602537736 /nfs/dbraw/zinc/53/77/36/602537736.db2.gz PJDGMKRWZFTLST-HNNXBMFYSA-N 0 1 387.402 2.509 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1)C(=O)[O-] ZINC000739660699 602537737 /nfs/dbraw/zinc/53/77/37/602537737.db2.gz PJDGMKRWZFTLST-HNNXBMFYSA-N 0 1 387.402 2.509 20 0 GFADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000740690724 602567352 /nfs/dbraw/zinc/56/73/52/602567352.db2.gz FTQNFQLCEXEDJD-WOJBJXKFSA-N 0 1 381.476 2.646 20 0 GFADMN C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738988648 602626589 /nfs/dbraw/zinc/62/65/89/602626589.db2.gz SLZBPAINCGFGQJ-LMMKCTJWSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738988648 602626590 /nfs/dbraw/zinc/62/65/90/602626590.db2.gz SLZBPAINCGFGQJ-LMMKCTJWSA-N 0 1 388.512 2.681 20 0 GFADMN O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000740696092 602683606 /nfs/dbraw/zinc/68/36/06/602683606.db2.gz YSNFDDSDQVUQLE-RBUKOAKNSA-N 0 1 383.448 2.601 20 0 GFADMN Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(CNC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000740079891 602684717 /nfs/dbraw/zinc/68/47/17/602684717.db2.gz LWTJJICUYJSZEI-QGZVFWFLSA-N 0 1 384.436 2.687 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](NC(=O)[O-])C3)cc2)C1 ZINC000739077312 602697680 /nfs/dbraw/zinc/69/76/80/602697680.db2.gz FRSOFGZQGATTJV-FCEWJHQRSA-N 0 1 388.512 2.716 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000739007515 602698588 /nfs/dbraw/zinc/69/85/88/602698588.db2.gz CPKMCVCZZWISGO-MRXNPFEDSA-N 0 1 388.512 2.513 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)c1csc(CNC(=O)[O-])n1)c1ccccc1Cl ZINC000739608163 602706063 /nfs/dbraw/zinc/70/60/63/602706063.db2.gz MHWKQUKTTSZVJK-CYBMUJFWSA-N 0 1 382.873 2.597 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739859943 602770210 /nfs/dbraw/zinc/77/02/10/602770210.db2.gz KOFVDZHSEUMSTQ-OBJOEFQTSA-N 0 1 383.876 2.962 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739859943 602770211 /nfs/dbraw/zinc/77/02/11/602770211.db2.gz KOFVDZHSEUMSTQ-OBJOEFQTSA-N 0 1 383.876 2.962 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739181724 602773742 /nfs/dbraw/zinc/77/37/42/602773742.db2.gz TZCNEPNEWRQQKX-ZWNOBZJWSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739181724 602773745 /nfs/dbraw/zinc/77/37/45/602773745.db2.gz TZCNEPNEWRQQKX-ZWNOBZJWSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178508 602792656 /nfs/dbraw/zinc/79/26/56/602792656.db2.gz RGJSDCBSYGNBTP-JTDSTZFVSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178508 602792661 /nfs/dbraw/zinc/79/26/61/602792661.db2.gz RGJSDCBSYGNBTP-JTDSTZFVSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739175172 602793394 /nfs/dbraw/zinc/79/33/94/602793394.db2.gz JRUVFHKIEGYQKB-UGFHNGPFSA-N 0 1 385.386 2.789 20 0 GFADMN C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC[C@@H]1NC(=O)[O-] ZINC000739175172 602793397 /nfs/dbraw/zinc/79/33/97/602793397.db2.gz JRUVFHKIEGYQKB-UGFHNGPFSA-N 0 1 385.386 2.789 20 0 GFADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000740155925 602874987 /nfs/dbraw/zinc/87/49/87/602874987.db2.gz AZFCNBWOKUFNDX-QGZVFWFLSA-N 0 1 390.528 2.673 20 0 GFADMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000740155925 602874990 /nfs/dbraw/zinc/87/49/90/602874990.db2.gz AZFCNBWOKUFNDX-QGZVFWFLSA-N 0 1 390.528 2.673 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736760414 602899365 /nfs/dbraw/zinc/89/93/65/602899365.db2.gz BPVHUVRQUDJCFD-IYBDPMFKSA-N 0 1 389.500 2.799 20 0 GFADMN CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)[O-] ZINC000738776079 602915992 /nfs/dbraw/zinc/91/59/92/602915992.db2.gz DWMZDJJZHHNQKO-WDSOQIARSA-N 0 1 390.528 2.973 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H](CNC(=O)[O-])C3CC3)cc2)C1 ZINC000739112042 603077832 /nfs/dbraw/zinc/07/78/32/603077832.db2.gz RHIIYTLRRORTEF-KXBFYZLASA-N 0 1 388.512 2.764 20 0 GFADMN O=C([O-])NC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)Cc2ccccc2C1 ZINC000740537198 603180134 /nfs/dbraw/zinc/18/01/34/603180134.db2.gz SGNDHSAYRWNNQF-FQEVSTJZSA-N 0 1 393.487 2.572 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000739682456 603253210 /nfs/dbraw/zinc/25/32/10/603253210.db2.gz PYYOPUHLQGZNEN-CQSZACIVSA-N 0 1 390.465 2.608 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000739682456 603253211 /nfs/dbraw/zinc/25/32/11/603253211.db2.gz PYYOPUHLQGZNEN-CQSZACIVSA-N 0 1 390.465 2.608 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CCCNC(=O)[O-])C1 ZINC000739083449 603279913 /nfs/dbraw/zinc/27/99/13/603279913.db2.gz XTNZFDNDIGHHNS-CALCHBBNSA-N 0 1 390.528 2.964 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739175101 603413907 /nfs/dbraw/zinc/41/39/07/603413907.db2.gz QAVLNRDZEYIRSQ-YOEHRIQHSA-N 0 1 379.476 2.931 20 0 GFADMN C[N@@H+]1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000828494192 603436215 /nfs/dbraw/zinc/43/62/15/603436215.db2.gz HZARFBXVNBGORW-UXHICEINSA-N 0 1 381.476 2.771 20 0 GFADMN 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GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175438 606542032 /nfs/dbraw/zinc/54/20/32/606542032.db2.gz IOGHQSAWAKAYHP-LBPRGKRZSA-N 0 1 388.522 2.632 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175438 606542034 /nfs/dbraw/zinc/54/20/34/606542034.db2.gz IOGHQSAWAKAYHP-LBPRGKRZSA-N 0 1 388.522 2.632 20 0 GFADMN O=S(=O)(Nc1cccc2ccncc21)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000823588855 606713154 /nfs/dbraw/zinc/71/31/54/606713154.db2.gz CMGFAEGULYOAIV-UHFFFAOYSA-N 0 1 386.824 2.869 20 0 GFADMN COc1ccc(OC)c(CN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000821842594 606853230 /nfs/dbraw/zinc/85/32/30/606853230.db2.gz SSUXXDCENUWCPQ-LJQANCHMSA-N 0 1 395.463 2.582 20 0 GFADMN CNC(=O)c1ccc(C[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821635355 606961787 /nfs/dbraw/zinc/96/17/87/606961787.db2.gz YMFLEWZTAOHXFR-UHFFFAOYSA-N 0 1 380.427 2.530 20 0 GFADMN CNC(=O)c1ccc(C[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821635355 606961788 /nfs/dbraw/zinc/96/17/88/606961788.db2.gz YMFLEWZTAOHXFR-UHFFFAOYSA-N 0 1 380.427 2.530 20 0 GFADMN CCC(CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820892975 607023813 /nfs/dbraw/zinc/02/38/13/607023813.db2.gz IEYGYQOKTODNJH-UHFFFAOYSA-N 0 1 399.455 2.590 20 0 GFADMN Cc1nc2ccccn2c1CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822462672 607064726 /nfs/dbraw/zinc/06/47/26/607064726.db2.gz LJXBQWQASKOPHV-UHFFFAOYSA-N 0 1 389.463 2.866 20 0 GFADMN C[NH+](C)CCN(Cc1ccccc1F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586031 607114176 /nfs/dbraw/zinc/11/41/76/607114176.db2.gz GKRQIBAXKGDJLD-UHFFFAOYSA-N 0 1 375.839 2.622 20 0 GFADMN C[NH+](C)CCN(Cc1ccccc1F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821586031 607114177 /nfs/dbraw/zinc/11/41/77/607114177.db2.gz GKRQIBAXKGDJLD-UHFFFAOYSA-N 0 1 375.839 2.622 20 0 GFADMN CCCC(CCC)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825242129 607804691 /nfs/dbraw/zinc/80/46/91/607804691.db2.gz IVDSUBXJHKPQNE-UHFFFAOYSA-N 0 1 387.488 2.597 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000824078256 607868928 /nfs/dbraw/zinc/86/89/28/607868928.db2.gz HNKRPIXGMNRXEU-OAHLLOKOSA-N 0 1 399.499 2.612 20 0 GFADMN c1ccc(CN2CCC(Nc3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)nc1 ZINC000826521561 607989361 /nfs/dbraw/zinc/98/93/61/607989361.db2.gz QWASIDISZCSFDH-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC2CCC(C)(C)CC2)cc1-c1nn[nH]n1 ZINC000826229548 608033079 /nfs/dbraw/zinc/03/30/79/608033079.db2.gz INEJEJXCCABOHQ-UHFFFAOYSA-N 0 1 376.486 2.635 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000824977874 608265059 /nfs/dbraw/zinc/26/50/59/608265059.db2.gz SPDSKVZBVBWPRS-CVEARBPZSA-N 0 1 391.479 2.993 20 0 GFADMN O=C1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478978 608310637 /nfs/dbraw/zinc/31/06/37/608310637.db2.gz NNNCUQMGUXUSPU-SECBINFHSA-N 0 1 392.847 2.616 20 0 GFADMN O=C1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1c1ccc(Cl)c(F)c1 ZINC000826478978 608310639 /nfs/dbraw/zinc/31/06/39/608310639.db2.gz NNNCUQMGUXUSPU-SECBINFHSA-N 0 1 392.847 2.616 20 0 GFADMN C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)[C@H](C)CN1Cc1ccccc1 ZINC000824966430 608310858 /nfs/dbraw/zinc/31/08/58/608310858.db2.gz BAWHPOVOCWQKFU-IAGOWNOFSA-N 0 1 390.491 2.531 20 0 GFADMN C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H](C)CN1Cc1ccccc1 ZINC000824970417 608310934 /nfs/dbraw/zinc/31/09/34/608310934.db2.gz XCVLUCZXSZXLTI-IAGOWNOFSA-N 0 1 390.491 2.531 20 0 GFADMN CN1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)C(C)(C)C1 ZINC000826038057 608316162 /nfs/dbraw/zinc/31/61/62/608316162.db2.gz HTGZHCBRVRTKFY-UHFFFAOYSA-N 0 1 392.463 2.825 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000826168197 608352994 /nfs/dbraw/zinc/35/29/94/608352994.db2.gz FMEYUOYIBFRWSJ-UHFFFAOYSA-N 0 1 377.448 2.970 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000825958382 608380548 /nfs/dbraw/zinc/38/05/48/608380548.db2.gz UEOURJNOBPYQLG-MRXNPFEDSA-N 0 1 388.269 2.795 20 0 GFADMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826188377 608431746 /nfs/dbraw/zinc/43/17/46/608431746.db2.gz VMIIDSVKXXQEMX-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN C[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618892 608462537 /nfs/dbraw/zinc/46/25/37/608462537.db2.gz RRVGLMWKUCHSGN-NSHDSACASA-N 0 1 393.419 2.714 20 0 GFADMN C[C@H](NCc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(-c2nn[nH]n2)c1 ZINC000824632760 608488655 /nfs/dbraw/zinc/48/86/55/608488655.db2.gz DEERLUWXDYOVBJ-JTQLQIEISA-N 0 1 393.476 2.917 20 0 GFADMN CCCCOc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000825290907 608508777 /nfs/dbraw/zinc/50/87/77/608508777.db2.gz JVFZYSRZMVQMMJ-UHFFFAOYSA-N 0 1 393.495 2.763 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCSc2ccccc21 ZINC000826412492 608530006 /nfs/dbraw/zinc/53/00/06/608530006.db2.gz PWRRQSHTSWMYGH-UHFFFAOYSA-N 0 1 392.488 2.584 20 0 GFADMN CC1(C)CC[C@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824801704 608587681 /nfs/dbraw/zinc/58/76/81/608587681.db2.gz GVDVZUWQPNDIEZ-SFHVURJKSA-N 0 1 397.527 2.663 20 0 GFADMN CCCCCC[N@H+](CCN1CCOCC1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825271930 608636381 /nfs/dbraw/zinc/63/63/81/608636381.db2.gz QTSYVSIWEHFMJW-UHFFFAOYSA-N 0 1 378.546 2.643 20 0 GFADMN CCCCCC[N@@H+](CCN1CCOCC1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825271930 608636382 /nfs/dbraw/zinc/63/63/82/608636382.db2.gz QTSYVSIWEHFMJW-UHFFFAOYSA-N 0 1 378.546 2.643 20 0 GFADMN CCCCCC[N@H+](CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825271930 608636383 /nfs/dbraw/zinc/63/63/83/608636383.db2.gz QTSYVSIWEHFMJW-UHFFFAOYSA-N 0 1 378.546 2.643 20 0 GFADMN CCCCCC[N@@H+](CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825271930 608636384 /nfs/dbraw/zinc/63/63/84/608636384.db2.gz QTSYVSIWEHFMJW-UHFFFAOYSA-N 0 1 378.546 2.643 20 0 GFADMN CN(c1ccccc1)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826011083 608654195 /nfs/dbraw/zinc/65/41/95/608654195.db2.gz WJRZBEVZZKORBK-UHFFFAOYSA-N 0 1 388.479 2.615 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000826519322 608679918 /nfs/dbraw/zinc/67/99/18/608679918.db2.gz UHLUXFVZQYLHQX-INIZCTEOSA-N 0 1 389.419 2.580 20 0 GFADMN COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826158314 608695099 /nfs/dbraw/zinc/69/50/99/608695099.db2.gz KFPSZHCKKVKVGU-UHFFFAOYSA-N 0 1 377.445 2.595 20 0 GFADMN COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000826158314 608695101 /nfs/dbraw/zinc/69/51/01/608695101.db2.gz KFPSZHCKKVKVGU-UHFFFAOYSA-N 0 1 377.445 2.595 20 0 GFADMN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000826507847 608848435 /nfs/dbraw/zinc/84/84/35/608848435.db2.gz XFPJPAWHBIEWPS-OCCSQVGLSA-N 0 1 379.342 2.786 20 0 GFADMN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825332512 609133729 /nfs/dbraw/zinc/13/37/29/609133729.db2.gz HJROYIMTDYJJMX-ZDUSSCGKSA-N 0 1 382.443 2.996 20 0 GFADMN CCN(C(=O)[C@@H]1CCc2[nH]c(C)nc2C1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366555 609268707 /nfs/dbraw/zinc/26/87/07/609268707.db2.gz BVTRZFYZJYFUIT-BLLLJJGKSA-N 0 1 379.468 2.613 20 0 GFADMN C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824617339 609325830 /nfs/dbraw/zinc/32/58/30/609325830.db2.gz GUAVAIZYOMZOFM-CQSZACIVSA-N 0 1 394.454 2.979 20 0 GFADMN Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000826281885 609327273 /nfs/dbraw/zinc/32/72/73/609327273.db2.gz OCBMGEARUVZQCT-GFCCVEGCSA-N 0 1 386.406 2.534 20 0 GFADMN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546240 609334108 /nfs/dbraw/zinc/33/41/08/609334108.db2.gz HSCHVKRHUFDIRT-YPMHNXCESA-N 0 1 376.436 2.666 20 0 GFADMN CC1(C)CC[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824797164 609375679 /nfs/dbraw/zinc/37/56/79/609375679.db2.gz WMUJSQPLZODBCA-GOSISDBHSA-N 0 1 382.512 2.727 20 0 GFADMN Cc1[nH]nc(C(=O)N2CCC(CO)(c3ccccc3)CC2)c1Br ZINC000817217066 660186659 /nfs/dbraw/zinc/18/66/59/660186659.db2.gz FKOYYYBBAOMIMP-UHFFFAOYSA-N 0 1 378.270 2.647 20 0 GFADMN 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399.213 2.837 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000878314796 662893662 /nfs/dbraw/zinc/89/36/62/662893662.db2.gz WAMHSYUBMHJIOJ-HWPZZCPQSA-N 0 1 391.269 2.593 20 0 GFADMN O[C@@H](CN1CC[C@@H](Oc2cncc(Br)c2)C1)c1ccc(F)cn1 ZINC000878876138 662908058 /nfs/dbraw/zinc/90/80/58/662908058.db2.gz SDSZNYRZZSXZJQ-CJNGLKHVSA-N 0 1 382.233 2.565 20 0 GFADMN CCCSc1nsc(NC(=O)N(C)CCN2CC3(C2)CCOCC3)n1 ZINC000878946039 662910604 /nfs/dbraw/zinc/91/06/04/662910604.db2.gz XCBSVAZTFDYSLM-UHFFFAOYSA-N 0 1 385.559 2.616 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000879016867 662913269 /nfs/dbraw/zinc/91/32/69/662913269.db2.gz SEDJKLOTNZRABY-UIKWRGBMSA-N 0 1 398.282 2.620 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000879407926 662925549 /nfs/dbraw/zinc/92/55/49/662925549.db2.gz SDVOLGSAWYYRQX-GTTSAUCSSA-N 0 1 378.270 2.688 20 0 GFADMN COCCN(Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000879710811 662937882 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C[C@H](NCCN1Cc2ccccc2OCC1=O)c1cccc(Br)n1 ZINC000926882962 664698472 /nfs/dbraw/zinc/69/84/72/664698472.db2.gz GCTBOEGZJAWVAX-ZDUSSCGKSA-N 0 1 390.281 2.916 20 0 GFADMN COc1cc(Br)cc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000926904209 664698889 /nfs/dbraw/zinc/69/88/89/664698889.db2.gz WPSBIXPCPZDACQ-LSDHHAIUSA-N 0 1 376.316 2.903 20 0 GFADMN O=S1(=O)CC[C@@H](NC[C@H]2CCCN2CC(F)(F)F)c2cc(F)ccc21 ZINC000926923630 664699169 /nfs/dbraw/zinc/69/91/69/664699169.db2.gz XHCBNEHPKQAGEM-TZMCWYRMSA-N 0 1 380.407 2.661 20 0 GFADMN COc1ccc(CC(=O)N[C@H]2CCCN3CCSC[C@@H]23)c(Cl)c1OC ZINC000928079536 664721853 /nfs/dbraw/zinc/72/18/53/664721853.db2.gz JAUYGTLHZWZZSH-KBPBESRZSA-N 0 1 384.929 2.596 20 0 GFADMN O=C(Nc1cnn(C2CCCC2)c1)c1cnc(I)c(O)c1 ZINC000928791447 664739894 /nfs/dbraw/zinc/73/98/94/664739894.db2.gz ODBDSXRGFHKVAD-UHFFFAOYSA-N 0 1 398.204 2.956 20 0 GFADMN O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000929025887 664745497 /nfs/dbraw/zinc/74/54/97/664745497.db2.gz PNMVBDNCDSWFHS-ILXRZTDVSA-N 0 1 396.285 2.501 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2cc(Br)cnc2C2CC2)C[C@@H](C)O1 ZINC000929631144 664755102 /nfs/dbraw/zinc/75/51/02/664755102.db2.gz OHWOLZKECAMBAS-CHWSQXEVSA-N 0 1 396.329 2.951 20 0 GFADMN C[C@@H](NC[C@H]1CCC2(COC2)O1)c1cc2c(cc1Br)OCCO2 ZINC000930207577 664764584 /nfs/dbraw/zinc/76/45/84/664764584.db2.gz AVKCJHAUGATUOU-VXGBXAGGSA-N 0 1 384.270 2.819 20 0 GFADMN NC(=O)C1(NC[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)CC1 ZINC000930244728 664765056 /nfs/dbraw/zinc/76/50/56/664765056.db2.gz UUEMMCGJXYLYTL-INIZCTEOSA-N 0 1 375.266 2.757 20 0 GFADMN Brc1ccc(CN(CCn2ccnc2)C[C@@H]2C[C@@H]3COC[C@H]3O2)o1 ZINC000930447460 664770690 /nfs/dbraw/zinc/77/06/90/664770690.db2.gz YOJGITSLTHOPEU-VNQPRFMTSA-N 0 1 396.285 2.545 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)NCCc2cc(Br)ccc2F)cc1=O ZINC000930745632 664777476 /nfs/dbraw/zinc/77/74/76/664777476.db2.gz FFHHYJPDTRWWQT-UHFFFAOYSA-N 0 1 398.276 2.635 20 0 GFADMN O=C(Nc1csc(-c2ccccn2)n1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000930754573 664777688 /nfs/dbraw/zinc/77/76/88/664777688.db2.gz CBAZHUYADMUIFU-OCCSQVGLSA-N 0 1 375.523 2.906 20 0 GFADMN CCN(CC)[C@H](CNC(=O)c1cc(=O)n(C)cc1Br)c1ccco1 ZINC000930917196 664780863 /nfs/dbraw/zinc/78/08/63/664780863.db2.gz QHXCJWSZVZLRSY-CQSZACIVSA-N 0 1 396.285 2.554 20 0 GFADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000930981962 664782469 /nfs/dbraw/zinc/78/24/69/664782469.db2.gz ZISDZFVVTWCBLT-FHUSYTEZSA-N 0 1 375.226 2.596 20 0 GFADMN O[C@@H](CCC1(O)CCC1)CN1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000931332699 664792015 /nfs/dbraw/zinc/79/20/15/664792015.db2.gz RIQUEOGPXUYOES-GVDBMIGSSA-N 0 1 384.314 2.613 20 0 GFADMN O[C@H](CN1CCN(CCc2ccncc2)CC1)c1cccc(Br)c1 ZINC000931347089 664792335 /nfs/dbraw/zinc/79/23/35/664792335.db2.gz OUZZLDATXJAPMH-LJQANCHMSA-N 0 1 390.325 2.738 20 0 GFADMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1(n2cc(Br)cn2)CC1 ZINC000932538075 664824853 /nfs/dbraw/zinc/82/48/53/664824853.db2.gz NELCLBSJWFDZAR-UHFFFAOYSA-N 0 1 394.660 2.981 20 0 GFADMN Cc1ccc(Br)c2cc(C(=O)N[C@H](C)[C@H]3CN(C)CCN3C)[nH]c21 ZINC000933385606 664861356 /nfs/dbraw/zinc/86/13/56/664861356.db2.gz FTHRNTYMJIDVCA-MLGOLLRUSA-N 0 1 393.329 2.603 20 0 GFADMN Cc1nc([C@@H](C)N2CCn3c(c(Br)nc3C(F)(F)F)C2)n[nH]1 ZINC000934326465 664899274 /nfs/dbraw/zinc/89/92/74/664899274.db2.gz YZJJJKTWORIVJQ-ZCFIWIBFSA-N 0 1 379.184 2.668 20 0 GFADMN O=C(c1cc(Br)cnc1C1CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000934337929 664899931 /nfs/dbraw/zinc/89/99/31/664899931.db2.gz NXSQQCRCWDTBEB-UHFFFAOYSA-N 0 1 376.258 2.859 20 0 GFADMN CCOC(=O)c1c(C)[nH]nc1CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934493784 664908663 /nfs/dbraw/zinc/90/86/63/664908663.db2.gz FMKGZZGPFSUWBM-KRWDZBQOSA-N 0 1 396.285 2.655 20 0 GFADMN OC[C@H](NC[C@@H](O)c1ccccc1)c1ccccc1I ZINC000934828200 664925673 /nfs/dbraw/zinc/92/56/73/664925673.db2.gz NSSLUTHXBHMDFT-JKSUJKDBSA-N 0 1 383.229 2.648 20 0 GFADMN C[C@@H]1[C@@H](NC(=O)c2sccc2Cl)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000988476406 665020737 /nfs/dbraw/zinc/02/07/37/665020737.db2.gz GPTIUVOVTNSAEO-UZWSLXQKSA-N 0 1 378.885 2.648 20 0 GFADMN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1C(=O)c1sccc1Cl ZINC000988749348 665021046 /nfs/dbraw/zinc/02/10/46/665021046.db2.gz AICPTBOLUQCDQW-UZWSLXQKSA-N 0 1 378.885 2.648 20 0 GFADMN Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCN2C)C3)c1Cl ZINC000995917938 665026782 /nfs/dbraw/zinc/02/67/82/665026782.db2.gz LBDDEJNVWZJIFQ-RFGFWPKPSA-N 0 1 381.929 2.666 20 0 GFADMN O=C(CCc1cnc[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1Cl)C2 ZINC000997468108 665036425 /nfs/dbraw/zinc/03/64/25/665036425.db2.gz PPUGPBJABHOVNT-UGFHNGPFSA-N 0 1 378.885 2.619 20 0 GFADMN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C3)[nH]1 ZINC000998791658 665041047 /nfs/dbraw/zinc/04/10/47/665041047.db2.gz QFDVESIGVGOKBI-DVYJOKAKSA-N 0 1 382.251 2.529 20 0 GFADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1sccc1Cl ZINC001003861741 665062387 /nfs/dbraw/zinc/06/23/87/665062387.db2.gz CZZWWVXMOVUPQN-REBRKWNGSA-N 0 1 381.929 2.748 20 0 GFADMN O=C(N[C@H]1C[C@@H](NCc2cscc2Br)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001022455181 665073929 /nfs/dbraw/zinc/07/39/29/665073929.db2.gz JZRMIXUCKZISKP-JMEBGAHHSA-N 0 1 397.338 2.671 20 0 GFADMN C[C@@H](O)C[N@H+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000120574839 677397007 /nfs/dbraw/zinc/39/70/07/677397007.db2.gz HFMURAWTUQBDQI-ZIAGYGMSSA-N 0 1 393.329 2.726 20 0 GFADMN C[C@@H](O)CN1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C ZINC000120574839 677397010 /nfs/dbraw/zinc/39/70/10/677397010.db2.gz HFMURAWTUQBDQI-ZIAGYGMSSA-N 0 1 393.329 2.726 20 0 GFADMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000384253573 677406995 /nfs/dbraw/zinc/40/69/95/677406995.db2.gz MJXGQAUEERLTKF-UHFFFAOYSA-N 0 1 398.941 2.802 20 0 GFADMN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000387132791 677407790 /nfs/dbraw/zinc/40/77/90/677407790.db2.gz MKFQYWOERKXHEA-UHFFFAOYSA-N 0 1 398.754 2.896 20 0 GFADMN COc1ccc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Br)c1 ZINC000580128245 677673709 /nfs/dbraw/zinc/67/37/09/677673709.db2.gz YJMRDSRXPDVNHN-LLVKDONJSA-N 0 1 395.219 2.958 20 0 GFADMN CNC(=O)c1cccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691309 719810934 /nfs/dbraw/zinc/81/09/34/719810934.db2.gz FMRRLFSLSNJYDH-UHFFFAOYSA-N 0 1 385.537 2.841 20 0 GFADMN c1csc(CN2CCOC3(CCN(c4ncnc5ncccc54)CC3)C2)c1 ZINC001164695042 719888109 /nfs/dbraw/zinc/88/81/09/719888109.db2.gz JRKSWPPSVZUVOR-UHFFFAOYSA-N 0 1 381.505 2.958 20 0 GFADMN CCOc1ccc(C(=O)OC)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164725123 720397467 /nfs/dbraw/zinc/39/74/67/720397467.db2.gz MJAYNXSUCGCLBG-QZTJIDSGSA-N 0 1 382.464 2.515 20 0 GFADMN Clc1nc2cccnc2nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164730619 720562731 /nfs/dbraw/zinc/56/27/31/720562731.db2.gz XUBKXABZNHYAGC-UHFFFAOYSA-N 0 1 383.887 2.533 20 0 GFADMN CC(C)(C)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740363 720745815 /nfs/dbraw/zinc/74/58/15/720745815.db2.gz KHGNTPLKLPWMCH-KGLIPLIRSA-N 0 1 388.903 2.559 20 0 GFADMN Cc1c(Cl)nc(C(C)C)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748933 720800792 /nfs/dbraw/zinc/80/07/92/720800792.db2.gz SARJPQJJASJIGE-CABCVRRESA-N 0 1 388.903 2.694 20 0 GFADMN FC(F)(c1nccc(Cl)n1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867369 721055456 /nfs/dbraw/zinc/05/54/56/721055456.db2.gz IPMQQWUYCBJADQ-HUUCEWRRSA-N 0 1 395.841 2.550 20 0 GFADMN Cc1cc(C(F)(F)N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)nn1 ZINC001164769172 721206404 /nfs/dbraw/zinc/20/64/04/721206404.db2.gz LVCNKFHXRANJQJ-HUUCEWRRSA-N 0 1 396.873 2.675 20 0 GFADMN Cc1ccc2ccnc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)c2c1 ZINC001164870414 721272744 /nfs/dbraw/zinc/27/27/44/721272744.db2.gz YAOCWRKPFGXFAD-UHFFFAOYSA-N 0 1 396.535 2.550 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4F)C3)O2)CC1 ZINC001164886830 721394576 /nfs/dbraw/zinc/39/45/76/721394576.db2.gz GQHTVXGNIYVGSF-HNAYVOBHSA-N 0 1 382.911 2.640 20 0 GFADMN Cc1ccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164894521 721396293 /nfs/dbraw/zinc/39/62/93/721396293.db2.gz YPEIYORMJNQONN-CVDCTZTESA-N 0 1 395.551 2.704 20 0 GFADMN Cc1c[nH]c2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ccc12 ZINC001164888624 721399057 /nfs/dbraw/zinc/39/90/57/721399057.db2.gz KNFGGDHKEOOWDL-AVRDEDQJSA-N 0 1 383.540 2.637 20 0 GFADMN Cc1nnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c2ccccc12 ZINC001164890310 721432610 /nfs/dbraw/zinc/43/26/10/721432610.db2.gz DJUSUYWCAYBQIB-WMZHIEFXSA-N 0 1 395.551 2.704 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C(C)(C)C)ncn4)C3)O2)CC1 ZINC001164894432 721434167 /nfs/dbraw/zinc/43/41/67/721434167.db2.gz MPTWPYGKSSNAGN-AVRDEDQJSA-N 0 1 387.572 2.540 20 0 GFADMN Cc1cc(C(C)C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164891364 721448458 /nfs/dbraw/zinc/44/84/58/721448458.db2.gz UMKBNZFVFIMHPP-KNQAVFIVSA-N 0 1 387.572 2.674 20 0 GFADMN Cc1nc2[nH]ccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806000 721538423 /nfs/dbraw/zinc/53/84/23/721538423.db2.gz NEXRIGMYADIIAQ-QYZOEREBSA-N 0 1 378.480 2.530 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cnccc32)[C@H]2CCCO[C@H]12 ZINC001164798102 721564876 /nfs/dbraw/zinc/56/48/76/721564876.db2.gz ABBOECFFIOHRCI-HBMCJLEFSA-N 0 1 375.476 2.893 20 0 GFADMN Cc1nc2c(c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n1)CCC2 ZINC001164798211 721570443 /nfs/dbraw/zinc/57/04/43/721570443.db2.gz AVNZXZDOGGTCHY-QHAWAJNXSA-N 0 1 379.508 2.537 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3cc(Cl)cnc3n2)CC1 ZINC001165011096 721736899 /nfs/dbraw/zinc/73/68/99/721736899.db2.gz KVUGYXMEPPPXQT-UHFFFAOYSA-N 0 1 387.915 2.806 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc3c(nc2Cl)CCCC3)CC1 ZINC001165013104 721750130 /nfs/dbraw/zinc/75/01/30/721750130.db2.gz UKYJPGFHWKJZFZ-UHFFFAOYSA-N 0 1 391.947 2.532 20 0 GFADMN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C)c(C)cn4)CCO3)C2)cs1 ZINC001164920135 721832775 /nfs/dbraw/zinc/83/27/75/721832775.db2.gz BCUCNBHFDAYICB-FQEVSTJZSA-N 0 1 388.537 2.571 20 0 GFADMN c1cc(CN2CCOCC3(CCN(c4ncc5c(n4)CCCC5)CC3)C2)ccn1 ZINC001164961674 722061181 /nfs/dbraw/zinc/06/11/81/722061181.db2.gz NXRCOFVRSRRFIZ-UHFFFAOYSA-N 0 1 393.535 2.869 20 0 GFADMN O=C(NC1CC1)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nn1 ZINC001164998913 722210794 /nfs/dbraw/zinc/21/07/94/722210794.db2.gz YNIXKEJNMVEONA-QFIPXVFZSA-N 0 1 395.482 2.753 20 0 GFADMN O=C(c1ccc(Cl)s1)N1CCC(C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000359902743 206269375 /nfs/dbraw/zinc/26/93/75/206269375.db2.gz TYPQISFAJKVQHN-UHFFFAOYSA-N 0 1 395.956 2.950 20 0 GFADMN CN1CC[C@@H](CNS(=O)(=O)c2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000359899052 206269427 /nfs/dbraw/zinc/26/94/27/206269427.db2.gz MPEOWCDLPIKVIH-KSSFIOAISA-N 0 1 379.913 2.894 20 0 GFADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c(OCC2CC2)c1 ZINC000239352402 209018518 /nfs/dbraw/zinc/01/85/18/209018518.db2.gz ACAHTYXFMMGXCI-UHFFFAOYSA-N 0 1 396.491 2.883 20 0 GFADMN CN1CCN(c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)cc2)CC1 ZINC000104784504 536423034 /nfs/dbraw/zinc/42/30/34/536423034.db2.gz YLDIFCNWGAFPDV-GOSISDBHSA-N 0 1 398.532 2.743 20 0 GFADMN COC[C@@H]1CCCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000331973116 563569975 /nfs/dbraw/zinc/56/99/75/563569975.db2.gz NGJMVHCJRJGDHJ-SNVBAGLBSA-N 0 1 399.232 2.666 20 0 GFADMN OC[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccsc1 ZINC000439438566 563724958 /nfs/dbraw/zinc/72/49/58/563724958.db2.gz LHERTIFZZATLEH-ZFWWWQNUSA-N 0 1 390.274 2.713 20 0 GFADMN Cc1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1Br ZINC000024682655 551119459 /nfs/dbraw/zinc/11/94/59/551119459.db2.gz MTSCJULFYICMST-UHFFFAOYSA-N 0 1 375.332 2.912 20 0 GFADMN NC(=O)COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000028256297 551123568 /nfs/dbraw/zinc/12/35/68/551123568.db2.gz UKGMDXWCCWVUMI-UHFFFAOYSA-N 0 1 375.233 2.658 20 0 GFADMN COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1Cl ZINC000029435725 551126476 /nfs/dbraw/zinc/12/64/76/551126476.db2.gz IJZRZKVAYZTJDG-UHFFFAOYSA-N 0 1 383.857 2.714 20 0 GFADMN CC(C)[C@H](CNC(=O)COc1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000042580577 551139739 /nfs/dbraw/zinc/13/97/39/551139739.db2.gz LIMLJXIURRYDOL-INIZCTEOSA-N 0 1 388.339 2.760 20 0 GFADMN NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000043589551 551142198 /nfs/dbraw/zinc/14/21/98/551142198.db2.gz BWECWWOYLOVLRZ-UHFFFAOYSA-N 0 1 395.289 2.583 20 0 GFADMN CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](c2cccs2)N(C)C)cs1 ZINC000044311497 551144149 /nfs/dbraw/zinc/14/41/49/551144149.db2.gz WNXJRFKTNIQFBN-ZDUSSCGKSA-N 0 1 380.539 2.761 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1Cl ZINC000055295183 551172752 /nfs/dbraw/zinc/17/27/52/551172752.db2.gz FUYHSVKRCLACTN-HNNXBMFYSA-N 0 1 382.913 2.800 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@H](C)C1 ZINC000058271201 551182299 /nfs/dbraw/zinc/18/22/99/551182299.db2.gz YHFFNYAXVVVRTA-STQMWFEESA-N 0 1 387.933 2.649 20 0 GFADMN Cc1n[nH]cc1C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000058380440 551182779 /nfs/dbraw/zinc/18/27/79/551182779.db2.gz AERXBFOHNAUYDM-UHFFFAOYSA-N 0 1 380.426 2.972 20 0 GFADMN Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)no1 ZINC000060656457 551183750 /nfs/dbraw/zinc/18/37/50/551183750.db2.gz KTIZDBWZZBQXIB-UHFFFAOYSA-N 0 1 379.258 2.750 20 0 GFADMN CC(C)[C@@H](CNC(=O)c1ccc(Br)c(F)c1)N1CCN(C)CC1 ZINC000068332772 551191406 /nfs/dbraw/zinc/19/14/06/551191406.db2.gz CAGPZMISHVOAJN-MRXNPFEDSA-N 0 1 386.309 2.590 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116324131 551211754 /nfs/dbraw/zinc/21/17/54/551211754.db2.gz RWUIQAQMTUATGZ-OLZOCXBDSA-N 0 1 377.286 2.999 20 0 GFADMN Cn1ccnc1-c1cc(NC(=O)c2cccc(I)c2)[nH]n1 ZINC000119503198 551217124 /nfs/dbraw/zinc/21/71/24/551217124.db2.gz SBBKWXNTDKVMAH-UHFFFAOYSA-N 0 1 393.188 2.667 20 0 GFADMN Brc1ccc(N2CCN(Cc3ccc(-n4cncn4)cc3)CC2)nc1 ZINC000119505344 551217383 /nfs/dbraw/zinc/21/73/83/551217383.db2.gz XNRRGDHBZUWUHR-UHFFFAOYSA-N 0 1 399.296 2.747 20 0 GFADMN C[C@H]1CCCCN1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000119671033 551218535 /nfs/dbraw/zinc/21/85/35/551218535.db2.gz VZMWPVQKXMZEDM-ZDUSSCGKSA-N 0 1 375.332 2.743 20 0 GFADMN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(Br)cc2O)c1C ZINC000120016592 551218747 /nfs/dbraw/zinc/21/87/47/551218747.db2.gz KYISPCNHIYUKJG-UHFFFAOYSA-N 0 1 399.266 2.671 20 0 GFADMN CCCN(C[C@H](O)CN1CCOCC1)[C@@H](C)c1ccccc1Br ZINC000121252530 551230751 /nfs/dbraw/zinc/23/07/51/551230751.db2.gz JLHRVNYKDFARNM-JKSUJKDBSA-N 0 1 385.346 2.915 20 0 GFADMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000121540960 551236828 /nfs/dbraw/zinc/23/68/28/551236828.db2.gz FTUMGQFGOMZFMU-LLVKDONJSA-N 0 1 399.310 2.956 20 0 GFADMN Cc1sc(Br)cc1S(=O)(=O)N[C@@H](C)CN1CCCCC1 ZINC000122363422 551297146 /nfs/dbraw/zinc/29/71/46/551297146.db2.gz BCVFTZVUHXWHMQ-JTQLQIEISA-N 0 1 381.361 2.972 20 0 GFADMN C[C@H](CN(C)C(=O)CCc1cc(Cl)ccc1Br)c1nn[nH]n1 ZINC000124331767 551313372 /nfs/dbraw/zinc/31/33/72/551313372.db2.gz UFYVDXJDAPWDPE-SECBINFHSA-N 0 1 386.681 2.810 20 0 GFADMN C[C@@H](CN(C)C(=O)c1ccc(Br)cc1C(F)(F)F)c1nn[nH]n1 ZINC000124390436 551313839 /nfs/dbraw/zinc/31/38/39/551313839.db2.gz KXJBNDYSGBZKMJ-ZETCQYMHSA-N 0 1 392.179 2.857 20 0 GFADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CO)cc2)c1 ZINC000124451291 551314769 /nfs/dbraw/zinc/31/47/69/551314769.db2.gz RYIQIDJSPXAQRS-LBPRGKRZSA-N 0 1 382.869 2.560 20 0 GFADMN Cc1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)sc1Br ZINC000124473636 551315180 /nfs/dbraw/zinc/31/51/80/551315180.db2.gz QOHCCNREDPMEOM-CYBMUJFWSA-N 0 1 387.343 2.890 20 0 GFADMN COc1cc(Br)ccc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000126281710 551327364 /nfs/dbraw/zinc/32/73/64/551327364.db2.gz RRRFTWDRDHVGMO-UHFFFAOYSA-N 0 1 397.313 2.642 20 0 GFADMN O=S1(=O)CCC[C@H]1CNCc1cc(Br)ccc1OC(F)F ZINC000126719403 551331896 /nfs/dbraw/zinc/33/18/96/551331896.db2.gz SJAKUQXGHGZTRV-NSHDSACASA-N 0 1 384.242 2.717 20 0 GFADMN Cc1nc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000128558638 551350585 /nfs/dbraw/zinc/35/05/85/551350585.db2.gz MDVKSTCRWXPQKW-RYUDHWBXSA-N 0 1 385.306 2.773 20 0 GFADMN Cc1ccc(CN2CCCN(CC(=O)N3CCCC3)CC2)cc1Br ZINC000129302542 551356136 /nfs/dbraw/zinc/35/61/36/551356136.db2.gz YTWNSWHFNOOKTB-UHFFFAOYSA-N 0 1 394.357 2.888 20 0 GFADMN CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1Br ZINC000130406170 551364824 /nfs/dbraw/zinc/36/48/24/551364824.db2.gz HJLZISKRZLJRIS-UHFFFAOYSA-N 0 1 391.229 2.523 20 0 GFADMN COC(=O)c1coc(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000131469639 551374396 /nfs/dbraw/zinc/37/43/96/551374396.db2.gz VPOGFLBDDQLNAP-UHFFFAOYSA-N 0 1 378.175 2.769 20 0 GFADMN COC(=O)CCCN(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000150143811 551399979 /nfs/dbraw/zinc/39/99/79/551399979.db2.gz LUFZKLGVZWYGGK-UHFFFAOYSA-N 0 1 380.242 2.864 20 0 GFADMN O=C(NCCN1CCCCC1)C(=O)Nc1cc(Cl)ccc1Br ZINC000151399407 551412994 /nfs/dbraw/zinc/41/29/94/551412994.db2.gz VCLVCRLEISAZSA-UHFFFAOYSA-N 0 1 388.693 2.643 20 0 GFADMN Cc1ccsc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152144074 551426686 /nfs/dbraw/zinc/42/66/86/551426686.db2.gz PUGRMQWAUTVWFG-CYBMUJFWSA-N 0 1 386.564 2.990 20 0 GFADMN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)NCc1ccc(Cl)s1 ZINC000152273699 551429307 /nfs/dbraw/zinc/42/93/07/551429307.db2.gz DNSWQLJSAPKVTK-LBPRGKRZSA-N 0 1 379.917 2.893 20 0 GFADMN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)NCc1ccc(Cl)s1 ZINC000152273699 551429308 /nfs/dbraw/zinc/42/93/08/551429308.db2.gz DNSWQLJSAPKVTK-LBPRGKRZSA-N 0 1 379.917 2.893 20 0 GFADMN CC(C)(C)N(CCC(=O)Nc1ccc(Cl)cc1F)CCS(C)(=O)=O ZINC000152276961 551429343 /nfs/dbraw/zinc/42/93/43/551429343.db2.gz WQGLNUDSEMDQLY-UHFFFAOYSA-N 0 1 378.897 2.953 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CCN(CCS(C)(=O)=O)C(C)(C)C ZINC000152255554 551429434 /nfs/dbraw/zinc/42/94/34/551429434.db2.gz NJPAAIJLSDBNCK-UHFFFAOYSA-N 0 1 390.933 2.822 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cc(F)ccc2Br)ccc1C(N)=O ZINC000152459361 551433585 /nfs/dbraw/zinc/43/35/85/551433585.db2.gz YHASZYFOIHEAID-UHFFFAOYSA-N 0 1 387.230 2.796 20 0 GFADMN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)c1ccccc1Br)CC2 ZINC000152997800 551444381 /nfs/dbraw/zinc/44/43/81/551444381.db2.gz HHAQFBRQOVFEKR-GVDBMIGSSA-N 0 1 384.314 2.734 20 0 GFADMN COc1cc(S(=O)(=O)Nc2ncccc2F)c(OC)cc1Br ZINC000153565613 551455553 /nfs/dbraw/zinc/45/55/53/551455553.db2.gz JQFUZFPGKRFMOB-UHFFFAOYSA-N 0 1 391.218 2.801 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(I)cc(C(F)(F)F)c2)CCN1 ZINC000155149399 551492692 /nfs/dbraw/zinc/49/26/92/551492692.db2.gz YKWMZTMMBSSLGN-QMMMGPOBSA-N 0 1 398.166 2.744 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000156091998 551514170 /nfs/dbraw/zinc/51/41/70/551514170.db2.gz VHXQHHBMRKOBPS-LBPRGKRZSA-N 0 1 379.295 2.741 20 0 GFADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cncc(Br)c1 ZINC000156098458 551514868 /nfs/dbraw/zinc/51/48/68/551514868.db2.gz IWMVYTWNTJLMRV-UHFFFAOYSA-N 0 1 388.218 2.607 20 0 GFADMN COC(=O)Cn1cc(CCN2CCC[C@H]2c2ccc(Br)cc2)nn1 ZINC000156265714 551518773 /nfs/dbraw/zinc/51/87/73/551518773.db2.gz SNXXNWLQNCXIPN-INIZCTEOSA-N 0 1 393.285 2.593 20 0 GFADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1 ZINC000158225697 551548554 /nfs/dbraw/zinc/54/85/54/551548554.db2.gz LPASDCTWHOIZBM-UHFFFAOYSA-N 0 1 384.255 2.993 20 0 GFADMN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1Br)c1c[nH]cn1 ZINC000160536181 551582382 /nfs/dbraw/zinc/58/23/82/551582382.db2.gz QALLFXCBMIZMTD-UHFFFAOYSA-N 0 1 386.149 2.872 20 0 GFADMN CN(C)c1ncc(CN(C)Cc2nc3ccc(Br)cc3[nH]2)cn1 ZINC000161703338 551597795 /nfs/dbraw/zinc/59/77/95/551597795.db2.gz AUBADWKUUPMXQL-UHFFFAOYSA-N 0 1 375.274 2.813 20 0 GFADMN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)[C@H]1CNCCO1 ZINC000161791099 551598521 /nfs/dbraw/zinc/59/85/21/551598521.db2.gz HGOJWSMTJKKBLP-SJORKVTESA-N 0 1 393.256 2.782 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c(F)cc1F ZINC000161953167 551601303 /nfs/dbraw/zinc/60/13/03/551601303.db2.gz UJAOPMNZSTUKOX-UHFFFAOYSA-N 0 1 389.445 2.661 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C)ccc2I)n[nH]1 ZINC000161952315 551601393 /nfs/dbraw/zinc/60/13/93/551601393.db2.gz VYWFZPROBGXGIV-SNVBAGLBSA-N 0 1 383.233 2.992 20 0 GFADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000162429316 551608637 /nfs/dbraw/zinc/60/86/37/551608637.db2.gz PLAGOVKTHHHSNO-ZWKOTPCHSA-N 0 1 378.563 2.582 20 0 GFADMN O=S(=O)(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(F)c(Br)cc1F ZINC000162655237 551611051 /nfs/dbraw/zinc/61/10/51/551611051.db2.gz XVTFVTTWPRYIEN-RNCFNFMXSA-N 0 1 396.253 2.963 20 0 GFADMN COC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)c1ccco1 ZINC000162867344 551613781 /nfs/dbraw/zinc/61/37/81/551613781.db2.gz DJJASJQRKMNRJB-NSHDSACASA-N 0 1 396.209 2.986 20 0 GFADMN CN(C(=O)c1[nH]nc2ccc(I)cc21)[C@@H]1CCSC1 ZINC000163293924 551618402 /nfs/dbraw/zinc/61/84/02/551618402.db2.gz ITKANZBBQULFHV-SECBINFHSA-N 0 1 387.246 2.745 20 0 GFADMN O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)CCCO4)c(Cl)cc2N1 ZINC000171089787 551646313 /nfs/dbraw/zinc/64/63/13/551646313.db2.gz BYOHOAZQPPMGIG-UHFFFAOYSA-N 0 1 378.837 2.960 20 0 GFADMN C[C@@H](NC(=O)CN1CCC[C@H](C2OCCO2)C1)c1ccc(Br)cc1 ZINC000171376574 551653654 /nfs/dbraw/zinc/65/36/54/551653654.db2.gz 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/nfs/dbraw/zinc/47/63/71/563476371.db2.gz AMQGNZXLUMGDNH-OCCSQVGLSA-N 0 1 379.258 2.786 20 0 GFADMN O=C(CNC(=O)c1ccc(Br)s1)Nc1nc2ccc(F)cc2[nH]1 ZINC000428042269 563481383 /nfs/dbraw/zinc/48/13/83/563481383.db2.gz BLSWEKMIYAPGOC-UHFFFAOYSA-N 0 1 397.229 2.895 20 0 GFADMN COc1sc(CN2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)cc1Br ZINC000284629110 563482821 /nfs/dbraw/zinc/48/28/21/563482821.db2.gz SNUOYXGHKSAVGJ-SKDRFNHKSA-N 0 1 387.303 2.908 20 0 GFADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000284642906 563483836 /nfs/dbraw/zinc/48/38/36/563483836.db2.gz MSPKAOUENGNWCK-MEDUHNTESA-N 0 1 381.263 2.817 20 0 GFADMN O=C([C@H]1CCc2nn[nH]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000284642906 563483840 /nfs/dbraw/zinc/48/38/40/563483840.db2.gz MSPKAOUENGNWCK-MEDUHNTESA-N 0 1 381.263 2.817 20 0 GFADMN O=C1NC[C@H]2CN(Cc3coc(-c4ccc(Br)cc4)n3)CC[C@@H]12 ZINC000377733246 563484957 /nfs/dbraw/zinc/48/49/57/563484957.db2.gz UMPIRQAHPHJQTL-SWLSCSKDSA-N 0 1 376.254 2.672 20 0 GFADMN O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377806496 563487223 /nfs/dbraw/zinc/48/72/23/563487223.db2.gz GIBGQXXNPVGGOS-SECBINFHSA-N 0 1 387.241 2.794 20 0 GFADMN COc1cc(Br)c(CN[C@@H](C)C(C)(C)n2cncn2)cc1OC ZINC000284856113 563492736 /nfs/dbraw/zinc/49/27/36/563492736.db2.gz AIDPQOLUAOQTML-NSHDSACASA-N 0 1 383.290 2.971 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C=Cc2ccccc2Br)C1 ZINC000284948730 563496071 /nfs/dbraw/zinc/49/60/71/563496071.db2.gz KFMIYRWBNZRQAP-RZEIDYGVSA-N 0 1 391.269 2.877 20 0 GFADMN O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1cc(Br)cc2nc[nH]c21 ZINC000378149876 563497555 /nfs/dbraw/zinc/49/75/55/563497555.db2.gz SDBBNRJSQKMQJY-CZUORRHYSA-N 0 1 388.221 2.550 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C=Cc2ccccc2Br)C1 ZINC000285063270 563501550 /nfs/dbraw/zinc/50/15/50/563501550.db2.gz QYDUMPWRVDTOPM-WDYNUWJLSA-N 0 1 377.242 2.569 20 0 GFADMN C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3ccsc3)cc2)C[C@H](C)O1 ZINC000285284151 563512800 /nfs/dbraw/zinc/51/28/00/563512800.db2.gz ZNYWJRFMQGXIQF-STQMWFEESA-N 0 1 380.491 2.798 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cc(-c2ccc(Cl)cc2)no1 ZINC000429726266 563521182 /nfs/dbraw/zinc/52/11/82/563521182.db2.gz UULASPIKDDBGEU-CVEARBPZSA-N 0 1 383.901 2.945 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000390314366 563522715 /nfs/dbraw/zinc/52/27/15/563522715.db2.gz WFSMYQBPAQGIDV-OAHLLOKOSA-N 0 1 397.294 2.710 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000390314363 563522750 /nfs/dbraw/zinc/52/27/50/563522750.db2.gz WFSMYQBPAQGIDV-HNNXBMFYSA-N 0 1 397.294 2.710 20 0 GFADMN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330861774 563524658 /nfs/dbraw/zinc/52/46/58/563524658.db2.gz LRFCFQFJZODVSU-OCCSQVGLSA-N 0 1 398.219 2.578 20 0 GFADMN Cc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2Br)n[nH]1 ZINC000392597602 563526998 /nfs/dbraw/zinc/52/69/98/563526998.db2.gz VWZFAPPXFOOMSG-LURJTMIESA-N 0 1 379.667 2.569 20 0 GFADMN CCc1nc(CNC(=O)c2ccc(I)c(Cl)c2)n[nH]1 ZINC000392471686 563527044 /nfs/dbraw/zinc/52/70/44/563527044.db2.gz AQTSYRLQMLJPSC-UHFFFAOYSA-N 0 1 390.612 2.555 20 0 GFADMN CO[C@@]1(CNCc2c(Br)cncc2Br)CCOC1 ZINC000394587989 563530418 /nfs/dbraw/zinc/53/04/18/563530418.db2.gz XBKLXOMXQPRHCF-GFCCVEGCSA-N 0 1 380.080 2.502 20 0 GFADMN COCCN1CCC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1 ZINC000398885897 563533514 /nfs/dbraw/zinc/53/35/14/563533514.db2.gz GICPDEKLLDCKGP-LBPRGKRZSA-N 0 1 375.694 2.943 20 0 GFADMN CC(C)N1CCc2nc(CN3CCCC[C@H]3CCS(C)(=O)=O)sc2C1 ZINC000430110606 563533488 /nfs/dbraw/zinc/53/34/88/563533488.db2.gz ZORXSSSXMUQBDQ-HNNXBMFYSA-N 0 1 385.599 2.699 20 0 GFADMN C[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1F ZINC000400197769 563534254 /nfs/dbraw/zinc/53/42/54/563534254.db2.gz MVFDPBDMGWEKKT-PWSUYJOCSA-N 0 1 379.295 2.663 20 0 GFADMN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN(C)C)cc1Br ZINC000405079527 563537980 /nfs/dbraw/zinc/53/79/80/563537980.db2.gz KOKMVZRVFFHHEP-GFCCVEGCSA-N 0 1 391.331 2.563 20 0 GFADMN CNC(=O)[C@]1(C)CCN(Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000430274153 563540251 /nfs/dbraw/zinc/54/02/51/563540251.db2.gz GTLNNYWRSUEXMB-QGZVFWFLSA-N 0 1 383.286 2.568 20 0 GFADMN Cc1nc2ccc(NS(=O)(=O)c3ccc(Br)c(F)c3)cn2n1 ZINC000430365333 563542319 /nfs/dbraw/zinc/54/23/19/563542319.db2.gz LHRDQEDKSNDLFN-UHFFFAOYSA-N 0 1 385.218 2.740 20 0 GFADMN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1cncc(N2CCCC2)n1 ZINC000430672285 563547638 /nfs/dbraw/zinc/54/76/38/563547638.db2.gz ZYVOELDWWFPDFC-UHFFFAOYSA-N 0 1 387.292 3.326 20 0 GFADMN C[C@H](NCCC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430712996 563548273 /nfs/dbraw/zinc/54/82/73/563548273.db2.gz JCLQLNQCEDHAQG-ZETCQYMHSA-N 0 1 375.210 2.700 20 0 GFADMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)CC(C)(C)O1 ZINC000408242782 563548793 /nfs/dbraw/zinc/54/87/93/563548793.db2.gz YDOZVVDNCNTILN-SECBINFHSA-N 0 1 399.232 2.807 20 0 GFADMN O=C(c1[nH]nc2ccc(I)cc21)N1CCO[C@H]2CCC[C@@H]21 ZINC000408239830 563548888 /nfs/dbraw/zinc/54/88/88/563548888.db2.gz FBUQHIIVCGDUPW-STQMWFEESA-N 0 1 397.216 2.561 20 0 GFADMN CC(C)(O)[C@H]1CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000408352507 563552535 /nfs/dbraw/zinc/55/25/35/563552535.db2.gz RDJZHBRSOFVMBE-CQSZACIVSA-N 0 1 379.254 2.666 20 0 GFADMN CC(C)(N)c1noc(CN2CCO[C@@H](c3cccc(Br)c3)C2)n1 ZINC000431091829 563553779 /nfs/dbraw/zinc/55/37/79/563553779.db2.gz VSOSMWVRIKGESO-CYBMUJFWSA-N 0 1 381.274 2.599 20 0 GFADMN CCN(CC)[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000286267343 563554261 /nfs/dbraw/zinc/55/42/61/563554261.db2.gz VFDZWKAFJRBKSW-MRXNPFEDSA-N 0 1 386.945 2.837 20 0 GFADMN CO[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC[C@H]1C ZINC000408440049 563556415 /nfs/dbraw/zinc/55/64/15/563556415.db2.gz XVGJXAVCIMIDQJ-BMIGLBTASA-N 0 1 379.254 2.788 20 0 GFADMN C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@H]1CO ZINC000408439653 563556429 /nfs/dbraw/zinc/55/64/29/563556429.db2.gz TZMGJHXZNSPJAK-BONVTDFDSA-N 0 1 379.254 2.524 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC([C@@H]2CCCO2)CC1 ZINC000408461143 563557253 /nfs/dbraw/zinc/55/72/53/563557253.db2.gz UBCQLVYGYSKCSH-AWEZNQCLSA-N 0 1 379.400 2.991 20 0 GFADMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000331819715 563563461 /nfs/dbraw/zinc/56/34/61/563563461.db2.gz LWEQRZNTSFAQTM-SKDRFNHKSA-N 0 1 385.649 2.823 20 0 GFADMN CCN1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@@H](C)C1 ZINC000286570807 563566207 /nfs/dbraw/zinc/56/62/07/563566207.db2.gz PPUPPRIXQQTPBY-AWEZNQCLSA-N 0 1 379.551 2.740 20 0 GFADMN COc1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc(Br)c1OC ZINC000331939626 563568176 /nfs/dbraw/zinc/56/81/76/563568176.db2.gz MPNHGYIDZPHCTG-GFCCVEGCSA-N 0 1 395.257 2.952 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1Br ZINC000331948640 563568191 /nfs/dbraw/zinc/56/81/91/563568191.db2.gz HMFHNZOSIGNPOR-UHFFFAOYSA-N 0 1 394.269 2.950 20 0 GFADMN C[C@@H]1CN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H](C)N1C ZINC000331951165 563568232 /nfs/dbraw/zinc/56/82/32/563568232.db2.gz OCMJGFNKSGFBCR-TXEJJXNPSA-N 0 1 379.913 2.836 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)Cc2cscc2Br)C1 ZINC000432063913 563574551 /nfs/dbraw/zinc/57/45/51/563574551.db2.gz PEXCQSRRQCLLJL-CYBMUJFWSA-N 0 1 375.332 2.526 20 0 GFADMN CN(C)[C@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)c1ccsc1 ZINC000286924326 563580147 /nfs/dbraw/zinc/58/01/47/563580147.db2.gz ADIQCQBDIIWFOB-UKRRQHHQSA-N 0 1 379.448 2.840 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1OC ZINC000410364130 563587774 /nfs/dbraw/zinc/58/77/74/563587774.db2.gz HXGCCDGOYINXEH-UHFFFAOYSA-N 0 1 378.431 2.892 20 0 GFADMN COc1cc(OC)c(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1Br ZINC000287138871 563588693 /nfs/dbraw/zinc/58/86/93/563588693.db2.gz LNPZBUWHRPBWMM-ZETCQYMHSA-N 0 1 384.234 2.776 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000410499891 563592023 /nfs/dbraw/zinc/59/20/23/563592023.db2.gz UXMNYTSIGFAAEV-INIZCTEOSA-N 0 1 384.307 2.647 20 0 GFADMN CCCN(C)[C@@H](CNC(=O)NCC1([S@](C)=O)CC1)c1ccc(Cl)cc1 ZINC000287249874 563593825 /nfs/dbraw/zinc/59/38/25/563593825.db2.gz QVFDAUSRWMZUAT-LMKMVOKYSA-N 0 1 385.961 2.933 20 0 GFADMN Cc1c(Br)cccc1CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000332346295 563594342 /nfs/dbraw/zinc/59/43/42/563594342.db2.gz PYEMHWQYBMUAPG-ZDUSSCGKSA-N 0 1 377.286 2.959 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCN(c3cccc(F)c3F)CC2)c1Br ZINC000332409297 563597297 /nfs/dbraw/zinc/59/72/97/563597297.db2.gz FCKVZWPXLDWHMA-UHFFFAOYSA-N 0 1 399.239 2.975 20 0 GFADMN C[C@H](CN1CCN(C)CC1)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000287381181 563599175 /nfs/dbraw/zinc/59/91/75/563599175.db2.gz OOPMUQBBRNCXSO-SNVBAGLBSA-N 0 1 381.240 2.911 20 0 GFADMN O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332471700 563601096 /nfs/dbraw/zinc/60/10/96/563601096.db2.gz XFLGJIRWVROKTO-SNVBAGLBSA-N 0 1 384.205 2.626 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000410975420 563601398 /nfs/dbraw/zinc/60/13/98/563601398.db2.gz JNXHRLYUCUNFJU-BBRMVZONSA-N 0 1 384.307 2.504 20 0 GFADMN NC(=O)[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000332499358 563602077 /nfs/dbraw/zinc/60/20/77/563602077.db2.gz FYPAADWNKLRISC-ZDUSSCGKSA-N 0 1 378.226 2.821 20 0 GFADMN CC1(C)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC[C@@H]1O ZINC000332512368 563602456 /nfs/dbraw/zinc/60/24/56/563602456.db2.gz IIGZVLSTCGPIQP-AWEZNQCLSA-N 0 1 379.254 2.524 20 0 GFADMN CO[C@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H](C)C1 ZINC000332544601 563604153 /nfs/dbraw/zinc/60/41/53/563604153.db2.gz ZUEBUMFQKDGTTJ-JQWIXIFHSA-N 0 1 379.254 2.930 20 0 GFADMN CC(C)CN1C[C@@H]2CN(C(=O)c3c(O)cc(Cl)cc3Cl)CCN2C1=O ZINC000332621000 563608154 /nfs/dbraw/zinc/60/81/54/563608154.db2.gz WUEVHKJSRFYKRO-LBPRGKRZSA-N 0 1 386.279 2.917 20 0 GFADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000332688037 563611861 /nfs/dbraw/zinc/61/18/61/563611861.db2.gz UMXISXWYTJZSAJ-VHSXEESVSA-N 0 1 383.880 3.554 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000287764736 563616737 /nfs/dbraw/zinc/61/67/37/563616737.db2.gz XTPSSZQJURLSNK-CQSZACIVSA-N 0 1 381.263 2.869 20 0 GFADMN O=C(NCCN1CC=CCC1)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000287809404 563618800 /nfs/dbraw/zinc/61/88/00/563618800.db2.gz LTAKDZJIUNWWIP-MRXNPFEDSA-N 0 1 379.302 2.856 20 0 GFADMN CC1(C)CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CCN1 ZINC000333256719 563626107 /nfs/dbraw/zinc/62/61/07/563626107.db2.gz DIKUAAVELZEOQI-UHFFFAOYSA-N 0 1 396.314 3.183 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCOCC12CCC2 ZINC000333318035 563627905 /nfs/dbraw/zinc/62/79/05/563627905.db2.gz KNYLQAKKSADUQR-UHFFFAOYSA-N 0 1 377.238 2.686 20 0 GFADMN Cc1cc(CCC(=O)NC2(c3nn[nH]n3)CCCC2)ccc1Br ZINC000434269023 563628545 /nfs/dbraw/zinc/62/85/45/563628545.db2.gz FMYKKLSUQRRDKD-UHFFFAOYSA-N 0 1 378.274 2.789 20 0 GFADMN C[C@@](CO)(NCCC(=O)Nc1ccc(Br)cc1)c1cccc(O)c1 ZINC000411737959 563632426 /nfs/dbraw/zinc/63/24/26/563632426.db2.gz RPOZOXIAXDJPRG-SFHVURJKSA-N 0 1 393.281 2.981 20 0 GFADMN 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/nfs/dbraw/zinc/43/47/63/564434763.db2.gz YOYIDXODTBRPSR-UHFFFAOYSA-N 0 1 383.286 2.848 20 0 GFADMN CCc1nc([C@@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)n[nH]1 ZINC000479412853 564439223 /nfs/dbraw/zinc/43/92/23/564439223.db2.gz VIWHAFNJWIYSSO-HTQZYQBOSA-N 0 1 392.312 2.733 20 0 GFADMN C[C@H](c1ccccc1Br)N(C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513897077 564442145 /nfs/dbraw/zinc/44/21/45/564442145.db2.gz KCWCHPMQIDMNGH-CHWSQXEVSA-N 0 1 375.332 2.723 20 0 GFADMN C[C@H]1NCCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)[C@H]1C ZINC000568983736 564443456 /nfs/dbraw/zinc/44/34/56/564443456.db2.gz MYRSDNYATOCNIB-ZJUUUORDSA-N 0 1 381.723 2.615 20 0 GFADMN COC1([C@H](C)NCc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000453157380 564448986 /nfs/dbraw/zinc/44/89/86/564448986.db2.gz IORSYTHVCQSDJW-ZDUSSCGKSA-N 0 1 395.301 2.704 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 ZINC000546178957 564449173 /nfs/dbraw/zinc/44/91/73/564449173.db2.gz YAEGMEFZZSNBDX-UHFFFAOYSA-N 0 1 391.331 2.563 20 0 GFADMN CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000546203627 564450111 /nfs/dbraw/zinc/45/01/11/564450111.db2.gz IBBXALWIQMPFHV-MNOVXSKESA-N 0 1 388.249 2.552 20 0 GFADMN CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000546203627 564450112 /nfs/dbraw/zinc/45/01/12/564450112.db2.gz IBBXALWIQMPFHV-MNOVXSKESA-N 0 1 388.249 2.552 20 0 GFADMN O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cc(F)cc2nc[nH]c21 ZINC000479801331 564451197 /nfs/dbraw/zinc/45/11/97/564451197.db2.gz AOXOZANVVHYOHC-UHFFFAOYSA-N 0 1 389.188 2.666 20 0 GFADMN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000453289516 564452070 /nfs/dbraw/zinc/45/20/70/564452070.db2.gz RYHLHYDSWMNPRR-SWLSCSKDSA-N 0 1 384.933 2.813 20 0 GFADMN Cc1[nH]c(SCC(=O)N[C@@H](C)CC[S@](C)=O)nc1Cc1ccccc1 ZINC000479937901 564455119 /nfs/dbraw/zinc/45/51/19/564455119.db2.gz FWUPRZNTGQPWRH-CANCMXDXSA-N 0 1 379.551 2.674 20 0 GFADMN O=C(Nc1cc(Cl)cc(Br)c1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000453657295 564462913 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Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1Br ZINC000453770729 564470992 /nfs/dbraw/zinc/47/09/92/564470992.db2.gz MGSVLXIXJHGDLI-GFCCVEGCSA-N 0 1 394.313 2.639 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000453771657 564471406 /nfs/dbraw/zinc/47/14/06/564471406.db2.gz NYRWWXPMVHMHBW-LBPRGKRZSA-N 0 1 394.313 2.639 20 0 GFADMN CN1CC=C(CNS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000546877805 564472580 /nfs/dbraw/zinc/47/25/80/564472580.db2.gz XEQUIONXWUBBEN-UHFFFAOYSA-N 0 1 385.736 2.704 20 0 GFADMN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](NCc2ccco2)C1 ZINC000480453460 564474300 /nfs/dbraw/zinc/47/43/00/564474300.db2.gz KMHMJOOMWVPKSP-AWEZNQCLSA-N 0 1 399.310 2.985 20 0 GFADMN COc1ccccc1Cc1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000546965361 564475221 /nfs/dbraw/zinc/47/52/21/564475221.db2.gz CPPPATVBEROACU-UHFFFAOYSA-N 0 1 399.881 2.862 20 0 GFADMN CC[C@@H](NCc1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000515672715 564485186 /nfs/dbraw/zinc/48/51/86/564485186.db2.gz JGACYCNHNKHSLG-OAHLLOKOSA-N 0 1 381.270 2.922 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480869440 564492246 /nfs/dbraw/zinc/49/22/46/564492246.db2.gz DUADPHYLCAHTPO-TVQRCGJNSA-N 0 1 393.734 2.864 20 0 GFADMN CN(Cc1nc(C2(N)CCCCC2)no1)S(=O)(=O)c1ccc(Cl)s1 ZINC000516275214 564498498 /nfs/dbraw/zinc/49/84/98/564498498.db2.gz YLVWJPXXDPXFOK-UHFFFAOYSA-N 0 1 390.918 2.723 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000547715956 564508539 /nfs/dbraw/zinc/50/85/39/564508539.db2.gz HLVISYGXXFGKDV-ZDUSSCGKSA-N 0 1 375.332 2.829 20 0 GFADMN OCCN(Cc1cc2c(cc1Br)OCCCO2)C1CCOCC1 ZINC000547750273 564509783 /nfs/dbraw/zinc/50/97/83/564509783.db2.gz RTZBKUSCEOAVBP-UHFFFAOYSA-N 0 1 386.286 2.584 20 0 GFADMN Cc1nn(C)c(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c1Br ZINC000517278636 564530042 /nfs/dbraw/zinc/53/00/42/564530042.db2.gz UKOKCBNKNCXQOU-GFCCVEGCSA-N 0 1 388.256 2.710 20 0 GFADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000517392186 564532872 /nfs/dbraw/zinc/53/28/72/564532872.db2.gz UWRFUPHPXITFLF-UONOGXRCSA-N 0 1 391.313 2.994 20 0 GFADMN O=S(=O)(NCC1(N2CCSCC2)CCCCC1)c1ccc(F)cc1F ZINC000482135962 564535729 /nfs/dbraw/zinc/53/57/29/564535729.db2.gz AAAARIBWPZRRGO-UHFFFAOYSA-N 0 1 390.521 2.995 20 0 GFADMN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCCc1c[nH]nn1 ZINC000571146965 564538221 /nfs/dbraw/zinc/53/82/21/564538221.db2.gz QPHWVTDWYFUDRT-UHFFFAOYSA-N 0 1 379.873 2.539 20 0 GFADMN CN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CN2CCC1CC2 ZINC000517697115 564539252 /nfs/dbraw/zinc/53/92/52/564539252.db2.gz ISGZCTPBTXJJCX-CQSZACIVSA-N 0 1 388.224 2.597 20 0 GFADMN CCc1nc(CNC(=O)Nc2cc(I)ccc2C)n[nH]1 ZINC000455160295 564539799 /nfs/dbraw/zinc/53/97/99/564539799.db2.gz RTRCOPNWWIHXNO-UHFFFAOYSA-N 0 1 385.209 2.602 20 0 GFADMN COc1c(Br)cccc1CN[C@@H](CCSC)C(=O)N(C)C ZINC000517776458 564542145 /nfs/dbraw/zinc/54/21/45/564542145.db2.gz HQBSFVPIWJDTDW-ZDUSSCGKSA-N 0 1 375.332 2.757 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1OC ZINC000482506391 564543526 /nfs/dbraw/zinc/54/35/26/564543526.db2.gz HXRNWPDJXSOMFP-BBWFWOEESA-N 0 1 380.286 2.917 20 0 GFADMN Cc1cccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)c1Cl ZINC000517949057 564544143 /nfs/dbraw/zinc/54/41/43/564544143.db2.gz RARODFXAXVGXJE-UHFFFAOYSA-N 0 1 386.945 2.771 20 0 GFADMN O=C1C[C@H](NS(=O)(=O)c2c(F)cccc2F)CN1c1ccccc1Cl ZINC000518211689 564548197 /nfs/dbraw/zinc/54/81/97/564548197.db2.gz GVRVWZDOGROYHW-JTQLQIEISA-N 0 1 386.807 2.702 20 0 GFADMN CC(C)NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000571429194 564551007 /nfs/dbraw/zinc/55/10/07/564551007.db2.gz JQOAVCVYWGGIEH-GHMZBOCLSA-N 0 1 394.871 2.980 20 0 GFADMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000483754974 564573881 /nfs/dbraw/zinc/57/38/81/564573881.db2.gz JYACEYVMEZCART-LBPRGKRZSA-N 0 1 386.253 2.645 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cnccc2C(F)(F)F)n[nH]1 ZINC000572069211 564580008 /nfs/dbraw/zinc/58/00/08/564580008.db2.gz FWQGTTQNKTYBSA-DTWKUNHWSA-N 0 1 377.392 2.772 20 0 GFADMN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000484199168 564583583 /nfs/dbraw/zinc/58/35/83/564583583.db2.gz PNPLZYDWOBMOFH-ZYHUDNBSSA-N 0 1 379.254 2.572 20 0 GFADMN O=C(NC[C@H]1CCC[C@H](O)C1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000484199164 564583754 /nfs/dbraw/zinc/58/37/54/564583754.db2.gz PNPLZYDWOBMOFH-JQWIXIFHSA-N 0 1 379.254 2.572 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000572337264 564590575 /nfs/dbraw/zinc/59/05/75/564590575.db2.gz SKKWRLYFAGQCGF-LLVKDONJSA-N 0 1 378.274 2.950 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCCOC1 ZINC000456363792 564602160 /nfs/dbraw/zinc/60/21/60/564602160.db2.gz FZHWUAWDJBYGAE-KGLIPLIRSA-N 0 1 396.329 2.955 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1cncn1C ZINC000456361991 564602741 /nfs/dbraw/zinc/60/27/41/564602741.db2.gz DHAPGLHEPCWQRW-GFCCVEGCSA-N 0 1 392.301 2.575 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(I)ccc1O ZINC000456391526 564604671 /nfs/dbraw/zinc/60/46/71/564604671.db2.gz WKXLMTVLIATAGM-LBPRGKRZSA-N 0 1 388.249 2.553 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1ccncn1 ZINC000456383189 564604823 /nfs/dbraw/zinc/60/48/23/564604823.db2.gz YWFODWTVOHXXFY-GFCCVEGCSA-N 0 1 390.285 2.632 20 0 GFADMN Cn1ccnc1[C@H](NCCC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000572713339 564606966 /nfs/dbraw/zinc/60/69/66/564606966.db2.gz PSKYRLLMMOAWAF-QGZVFWFLSA-N 0 1 381.929 2.967 20 0 GFADMN CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000549910601 564609164 /nfs/dbraw/zinc/60/91/64/564609164.db2.gz MXZPSRNMHWVQEV-SNVBAGLBSA-N 0 1 398.384 2.667 20 0 GFADMN Cc1n[nH]c(C(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)c1C ZINC000456479679 564609643 /nfs/dbraw/zinc/60/96/43/564609643.db2.gz FVGWJLQDODXOEQ-LLVKDONJSA-N 0 1 384.249 2.509 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000485400363 564614415 /nfs/dbraw/zinc/61/44/15/564614415.db2.gz CZQXLUSZDSHGIP-UHFFFAOYSA-N 0 1 395.289 2.750 20 0 GFADMN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000521036278 564618291 /nfs/dbraw/zinc/61/82/91/564618291.db2.gz VWCQURUGIMETPE-KWCYVHTRSA-N 0 1 376.258 2.622 20 0 GFADMN CCO[C@@H]1C[C@@H](NCc2cc3c(cc2Br)OCO3)[C@H]1n1cccn1 ZINC000550327286 564620521 /nfs/dbraw/zinc/62/05/21/564620521.db2.gz UMWHPWXJJRVVCR-KBRIMQKVSA-N 0 1 394.269 2.883 20 0 GFADMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ncc(I)s1 ZINC000573045259 564621190 /nfs/dbraw/zinc/62/11/90/564621190.db2.gz IAOMBZXNSHUIHD-TVQRCGJNSA-N 0 1 394.278 2.959 20 0 GFADMN CS(=O)(=O)N1CCCN([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263688 564629932 /nfs/dbraw/zinc/62/99/32/564629932.db2.gz GHBMRBBZCGAIGQ-SFHVURJKSA-N 0 1 386.945 2.775 20 0 GFADMN CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)S(=O)(=O)c1cccs1 ZINC000550823692 564632265 /nfs/dbraw/zinc/63/22/65/564632265.db2.gz ZQJHRNCAIQINGB-QGZVFWFLSA-N 0 1 380.535 2.660 20 0 GFADMN O=C(NCCCCN1CCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000521684224 564633872 /nfs/dbraw/zinc/63/38/72/564633872.db2.gz SAZXVTHDACAWKV-SJORKVTESA-N 0 1 396.329 2.717 20 0 GFADMN 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/nfs/dbraw/zinc/84/89/29/564848929.db2.gz VAOSTSZJCPMXJR-PHIMTYICSA-N 0 1 384.274 2.825 20 0 GFADMN CN(C)[C@H](CNC(=O)C(=O)N[C@@H](c1cccs1)C1CC1)c1cccs1 ZINC000582500369 564848934 /nfs/dbraw/zinc/84/89/34/564848934.db2.gz KCNLBZNPXBTIPU-CZUORRHYSA-N 0 1 377.535 2.796 20 0 GFADMN C[C@]1(n2cc(CNCc3ccc4sccc4c3)cn2)CCS(=O)(=O)C1 ZINC000582574993 564852705 /nfs/dbraw/zinc/85/27/05/564852705.db2.gz OLLGNDXCODYJPS-SFHVURJKSA-N 0 1 375.519 2.921 20 0 GFADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)CCc1cccs1 ZINC000582659038 564856195 /nfs/dbraw/zinc/85/61/95/564856195.db2.gz JZCQMTITNBDZHG-UHFFFAOYSA-N 0 1 382.507 2.833 20 0 GFADMN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000530167101 564869696 /nfs/dbraw/zinc/86/96/96/564869696.db2.gz TXHAGOXZJDBCGJ-UKRRQHHQSA-N 0 1 384.201 2.899 20 0 GFADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000530167101 564869699 /nfs/dbraw/zinc/86/96/99/564869699.db2.gz TXHAGOXZJDBCGJ-UKRRQHHQSA-N 0 1 384.201 2.899 20 0 GFADMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000497761553 564875495 /nfs/dbraw/zinc/87/54/95/564875495.db2.gz NPGDBCNXYLMEFJ-UHFFFAOYSA-N 0 1 389.612 2.528 20 0 GFADMN CN(C)[C@@H](CNC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccc(Cl)cc1 ZINC000583118028 564876199 /nfs/dbraw/zinc/87/61/99/564876199.db2.gz PMNIYIZRNYTGPR-ZFWWWQNUSA-N 0 1 375.847 2.602 20 0 GFADMN O=S(=O)(NCc1nc(-c2ccncc2)no1)c1c(Cl)ccc(F)c1F ZINC000557787602 564877054 /nfs/dbraw/zinc/87/70/54/564877054.db2.gz LZODENWMAIFHJT-UHFFFAOYSA-N 0 1 386.767 2.542 20 0 GFADMN CCN(CC(=O)N(C)CCOc1ccc(Br)cc1)C[C@H](C)OC ZINC000463410933 564880033 /nfs/dbraw/zinc/88/00/33/564880033.db2.gz DJPALWOBPPYCKM-AWEZNQCLSA-N 0 1 387.318 2.643 20 0 GFADMN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000557846837 564881947 /nfs/dbraw/zinc/88/19/47/564881947.db2.gz SDRRBLOIDSPGEX-HNNXBMFYSA-N 0 1 389.359 2.989 20 0 GFADMN NCc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ccn1 ZINC000463491349 564882570 /nfs/dbraw/zinc/88/25/70/564882570.db2.gz 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GFADMN CC(C)N1CCO[C@@H](C(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000498933851 564913395 /nfs/dbraw/zinc/91/33/95/564913395.db2.gz NWRRWMTZJLIXDZ-MRXNPFEDSA-N 0 1 381.314 2.706 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H]2COCC[C@H]21 ZINC000464862604 564919927 /nfs/dbraw/zinc/91/99/27/564919927.db2.gz XOTXXEGLGZLDMC-IUODEOHRSA-N 0 1 387.343 2.970 20 0 GFADMN CC1CCN([C@@H](CNS(=O)(=O)CC[C@H]2CCOC2)c2cccs2)CC1 ZINC000559024592 564920253 /nfs/dbraw/zinc/92/02/53/564920253.db2.gz NQELHUDOQHOEKL-SJORKVTESA-N 0 1 386.583 2.867 20 0 GFADMN O=C(CCc1ccccc1Br)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000559250644 564927740 /nfs/dbraw/zinc/92/77/40/564927740.db2.gz BTTHXFKIMCQSIB-UHFFFAOYSA-N 0 1 380.242 2.877 20 0 GFADMN O=C(NCCCCN1CCOCC1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000465591180 564930594 /nfs/dbraw/zinc/93/05/94/564930594.db2.gz FWOGFUUGLVVHMA-AWEZNQCLSA-N 0 1 388.295 2.839 20 0 GFADMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000499961013 564941716 /nfs/dbraw/zinc/94/17/16/564941716.db2.gz 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/nfs/dbraw/zinc/96/28/17/564962817.db2.gz SONDOCOOBGYQQX-QGZVFWFLSA-N 0 1 378.519 2.800 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)C1CCOCC1 ZINC000533445598 564963048 /nfs/dbraw/zinc/96/30/48/564963048.db2.gz UIHRDFBZYJJIDD-UHFFFAOYSA-N 0 1 375.252 2.829 20 0 GFADMN OC1(CN2CCOCC2)CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000501055933 564969077 /nfs/dbraw/zinc/96/90/77/564969077.db2.gz XZWDBJWYNVHABN-UHFFFAOYSA-N 0 1 389.323 2.531 20 0 GFADMN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1O ZINC000533965170 564976410 /nfs/dbraw/zinc/97/64/10/564976410.db2.gz ISWOBQRDJSPKMJ-UHFFFAOYSA-N 0 1 386.832 2.882 20 0 GFADMN CN(CC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000534268734 564983349 /nfs/dbraw/zinc/98/33/49/564983349.db2.gz PHNZEUAFAHYIDB-DOTOQJQBSA-N 0 1 378.929 2.716 20 0 GFADMN CN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)C(C)(C)C1 ZINC000501770890 564985643 /nfs/dbraw/zinc/98/56/43/564985643.db2.gz DXFMFMSTDBCKBM-UHFFFAOYSA-N 0 1 379.302 2.949 20 0 GFADMN COCCN(CCN1CCO[C@H](C)C1)Cc1cc(Br)cs1 ZINC000501872169 564987298 /nfs/dbraw/zinc/98/72/98/564987298.db2.gz IWDBFDZQBCZJRP-CYBMUJFWSA-N 0 1 377.348 2.680 20 0 GFADMN NS(=O)(=O)CCCCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000561269178 564989028 /nfs/dbraw/zinc/98/90/28/564989028.db2.gz GFXVPECPWGJWCK-UHFFFAOYSA-N 0 1 399.694 2.596 20 0 GFADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC000561326793 564991406 /nfs/dbraw/zinc/99/14/06/564991406.db2.gz SBFYTGKJRXHCDK-CYBMUJFWSA-N 0 1 378.274 2.583 20 0 GFADMN O=C([C@H]1CC(=O)Nc2ccc(Br)cc21)N1CCN2CCCC[C@H]2C1 ZINC000468754148 564992869 /nfs/dbraw/zinc/99/28/69/564992869.db2.gz AAJBNUTXFSXOPE-ZFWWWQNUSA-N 0 1 392.297 2.572 20 0 GFADMN Cc1nc(S(=O)(=O)NCc2ccccc2N(C)C)sc1Br ZINC000468842247 564996096 /nfs/dbraw/zinc/99/60/96/564996096.db2.gz DWBZQRVPXLGBOW-UHFFFAOYSA-N 0 1 390.328 2.759 20 0 GFADMN C[C@H]1CCCCN1CCNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561485641 564997305 /nfs/dbraw/zinc/99/73/05/564997305.db2.gz NQZNNIAJIMKGFB-NSHDSACASA-N 0 1 384.395 2.877 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000468979985 565001874 /nfs/dbraw/zinc/00/18/74/565001874.db2.gz LWOGLBUTHUSMKO-QGZVFWFLSA-N 0 1 398.320 2.889 20 0 GFADMN CS(=O)(=O)[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000502829006 565005957 /nfs/dbraw/zinc/00/59/57/565005957.db2.gz YJAQOJZMNTVRSO-LBPRGKRZSA-N 0 1 386.315 2.725 20 0 GFADMN C[C@H](CNCc1cc(Br)cc(Br)c1)S(C)(=O)=O ZINC000561744988 565008235 /nfs/dbraw/zinc/00/82/35/565008235.db2.gz FHFNAQWMHLGFRO-MRVPVSSYSA-N 0 1 385.121 2.734 20 0 GFADMN CC[C@@H](C)[C@](C)(O)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535248247 565008799 /nfs/dbraw/zinc/00/87/99/565008799.db2.gz UGUBGUNUTRENPN-AMIZOPFISA-N 0 1 386.258 2.803 20 0 GFADMN Cn1c(CNC[C@@H](O)COc2ccc(Br)cc2)nc2ccccc21 ZINC000561838690 565011365 /nfs/dbraw/zinc/01/13/65/565011365.db2.gz GFPJPOGCYUMPLL-CQSZACIVSA-N 0 1 390.281 2.865 20 0 GFADMN Cc1csc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1I ZINC000469307317 565012959 /nfs/dbraw/zinc/01/29/59/565012959.db2.gz CXTSAQASFCHUJI-LLVKDONJSA-N 0 1 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398.236 2.922 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1I ZINC000593027848 565308239 /nfs/dbraw/zinc/30/82/39/565308239.db2.gz XNVYYABJMLBJHJ-DGCLKSJQSA-N 0 1 392.668 2.949 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1I ZINC000593027850 565308406 /nfs/dbraw/zinc/30/84/06/565308406.db2.gz XNVYYABJMLBJHJ-YPMHNXCESA-N 0 1 392.668 2.949 20 0 GFADMN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1I ZINC000593027849 565309146 /nfs/dbraw/zinc/30/91/46/565309146.db2.gz XNVYYABJMLBJHJ-WCQYABFASA-N 0 1 392.668 2.949 20 0 GFADMN O=C(c1ccc(Br)cc1[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640447521 565311136 /nfs/dbraw/zinc/31/11/36/565311136.db2.gz SCXQYLZULTWNIN-UHFFFAOYSA-N 0 1 376.254 2.902 20 0 GFADMN O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000661205612 565313455 /nfs/dbraw/zinc/31/34/55/565313455.db2.gz ZTALGPDPVAPBOM-NTZNESFSSA-N 0 1 378.270 2.601 20 0 GFADMN Cc1ccc2c(c1Br)CN(C(=O)NCCN1CCCOCC1)C2 ZINC000661237897 565315959 /nfs/dbraw/zinc/31/59/59/565315959.db2.gz 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O=C([O-])[C@]12COC[C@H]1C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C2 ZINC000662220282 565354858 /nfs/dbraw/zinc/35/48/58/565354858.db2.gz GUSLHSZFLVZRRZ-ANRSDYALSA-N 0 1 393.654 2.618 20 0 GFADMN COC(=O)Cc1csc(NC(=O)c2cc(Br)cc3nc[nH]c32)n1 ZINC000619723312 565356580 /nfs/dbraw/zinc/35/65/80/565356580.db2.gz GXNCUEVSHPOJMN-UHFFFAOYSA-N 0 1 395.238 2.750 20 0 GFADMN CN(C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641302971 565360776 /nfs/dbraw/zinc/36/07/76/565360776.db2.gz XKXPJEBIHYVKEY-OAHLLOKOSA-N 0 1 382.423 2.704 20 0 GFADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000619856195 565361240 /nfs/dbraw/zinc/36/12/40/565361240.db2.gz QQOZRNZWIFUZBG-UHFFFAOYSA-N 0 1 392.767 2.924 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000594019187 565372043 /nfs/dbraw/zinc/37/20/43/565372043.db2.gz DKRZBPLZMUWTJK-UHFFFAOYSA-N 0 1 382.214 2.998 20 0 GFADMN COCCN1CCCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000620244885 565376686 /nfs/dbraw/zinc/37/66/86/565376686.db2.gz 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C[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CO ZINC000621736554 565439938 /nfs/dbraw/zinc/43/99/38/565439938.db2.gz CXESSKVHYJMDAM-HOCLYGCPSA-N 0 1 383.330 2.736 20 0 GFADMN O=C(NCCCc1nc[nH]n1)NCCCc1ccc(Br)cc1F ZINC000664149683 565453330 /nfs/dbraw/zinc/45/33/30/565453330.db2.gz SUNNMGXJDYYUNB-UHFFFAOYSA-N 0 1 384.253 2.571 20 0 GFADMN COc1cc2nccc(N[C@H]3CC[C@@H](C)S(=O)(=O)C3)c2cc1Br ZINC000664360156 565461450 /nfs/dbraw/zinc/46/14/50/565461450.db2.gz RLMFAZIBQINTAU-MNOVXSKESA-N 0 1 399.310 2.805 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644189887 565462950 /nfs/dbraw/zinc/46/29/50/565462950.db2.gz COOFLPMSFCYELV-LLVKDONJSA-N 0 1 384.395 2.877 20 0 GFADMN CN(Cc1ccccc1Cl)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000622132082 565464162 /nfs/dbraw/zinc/46/41/62/565464162.db2.gz OSHJGMRIIUOXEN-UHFFFAOYSA-N 0 1 388.823 2.555 20 0 GFADMN C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000644297960 565471528 /nfs/dbraw/zinc/47/15/28/565471528.db2.gz 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565513001 /nfs/dbraw/zinc/51/30/01/565513001.db2.gz QWLFRQFAMWHYRV-NSHDSACASA-N 0 1 382.295 2.961 20 0 GFADMN Nc1nc2c(c(N3CCC(n4cc(Br)cn4)CC3)n1)CCCC2 ZINC000645167141 565514633 /nfs/dbraw/zinc/51/46/33/565514633.db2.gz BDJPLBVSIZPAJU-UHFFFAOYSA-N 0 1 377.290 2.738 20 0 GFADMN COc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1Br ZINC000623638375 565521442 /nfs/dbraw/zinc/52/14/42/565521442.db2.gz CGNLOBMODRMMLA-CHWSQXEVSA-N 0 1 385.302 2.687 20 0 GFADMN CS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000666275492 565528727 /nfs/dbraw/zinc/52/87/27/565528727.db2.gz YPTIAJLWXCQYKO-UKRRQHHQSA-N 0 1 393.452 2.776 20 0 GFADMN O=S(=O)(Cc1ccc(Br)cc1Cl)N[C@H]1CCN(C2CC2)C1 ZINC000645490417 565530355 /nfs/dbraw/zinc/53/03/55/565530355.db2.gz KRZGGGXZOXNAHL-LBPRGKRZSA-N 0 1 393.734 2.759 20 0 GFADMN Cc1cc(Br)cn2c(CN[C@@H]3CCN(C4CCC4)C3=O)cnc12 ZINC000623842281 565533090 /nfs/dbraw/zinc/53/30/90/565533090.db2.gz JUDSFDHULLQHEK-OAHLLOKOSA-N 0 1 377.286 2.648 20 0 GFADMN CC(C)C[N@@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645615433 565543807 /nfs/dbraw/zinc/54/38/07/565543807.db2.gz OOJSGXJYBNFJDR-ZDUSSCGKSA-N 0 1 379.448 2.747 20 0 GFADMN CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000645615433 565543810 /nfs/dbraw/zinc/54/38/10/565543810.db2.gz OOJSGXJYBNFJDR-ZDUSSCGKSA-N 0 1 379.448 2.747 20 0 GFADMN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645690433 565552167 /nfs/dbraw/zinc/55/21/67/565552167.db2.gz IGOQDTTZQVPBIC-UHFFFAOYSA-N 0 1 396.778 2.714 20 0 GFADMN Cc1nc([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2Cl)n[nH]1 ZINC000645713102 565554195 /nfs/dbraw/zinc/55/41/95/565554195.db2.gz KBXJRLYOUCHRIP-ZETCQYMHSA-N 0 1 393.694 2.710 20 0 GFADMN COc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000624609609 565565911 /nfs/dbraw/zinc/56/59/11/565565911.db2.gz CMISFBXXIVTMLB-HNNXBMFYSA-N 0 1 397.313 2.785 20 0 GFADMN CN1CC2(C1)CCN(C(=O)[C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000646020514 565582294 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CDQNXYBMSAKUTK-RNFRBKRXSA-N 0 1 389.193 2.828 20 0 GFADMN CN(C(=O)CCCc1nn[nH]n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000635500345 566217259 /nfs/dbraw/zinc/21/72/59/566217259.db2.gz OXJAFSFHLVSIJK-GFCCVEGCSA-N 0 1 396.314 2.980 20 0 GFADMN CCOc1c(Br)cc(C(=O)N2CCC3(CN(C)C3)C2)cc1OC ZINC000683909560 566218565 /nfs/dbraw/zinc/21/85/65/566218565.db2.gz UQHSLJSMRZBVRC-UHFFFAOYSA-N 0 1 383.286 2.634 20 0 GFADMN CN(CC(=O)N1CCOc2c(Br)cccc2C1)[C@@H]1CCSC1 ZINC000684333114 566234170 /nfs/dbraw/zinc/23/41/70/566234170.db2.gz LSNJOHDWWYGQGD-CYBMUJFWSA-N 0 1 385.327 2.607 20 0 GFADMN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000275674530 570697384 /nfs/dbraw/zinc/69/73/84/570697384.db2.gz VUJKSKJJTJJFBK-WBVHZDCISA-N 0 1 377.286 2.601 20 0 GFADMN Cc1ccc(CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1C ZINC000737343141 598992245 /nfs/dbraw/zinc/99/22/45/598992245.db2.gz VXRQADKRLZRYSZ-UHFFFAOYSA-N 0 1 390.491 2.764 20 0 GFADMN O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738235862 599057549 /nfs/dbraw/zinc/05/75/49/599057549.db2.gz BBIPKKWSMDXJKD-GOSISDBHSA-N 0 1 395.438 2.961 20 0 GFADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295492 599227062 /nfs/dbraw/zinc/22/70/62/599227062.db2.gz VFMSDUOBUWILPE-AEFFLSMTSA-N 0 1 398.511 2.501 20 0 GFADMN C[C@H]1CN(CCCNc2ccc(Br)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736284888 599361078 /nfs/dbraw/zinc/36/10/78/599361078.db2.gz HLRDGYIKDIXEQN-RYUDHWBXSA-N 0 1 395.305 2.540 20 0 GFADMN O=C(CCc1cccc(OC2CCCC2)c1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737857360 599256383 /nfs/dbraw/zinc/25/63/83/599256383.db2.gz OWWWELJBXRMBRO-UHFFFAOYSA-N 0 1 378.436 2.576 20 0 GFADMN CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821188550 607312415 /nfs/dbraw/zinc/31/24/15/607312415.db2.gz ADDCJLYKUNJOFF-UHFFFAOYSA-N 0 1 399.524 2.612 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1C1CC[NH2+]CC1 ZINC000735961921 599266065 /nfs/dbraw/zinc/26/60/65/599266065.db2.gz WVUFLBSHJCCGIJ-UHFFFAOYSA-N 0 1 388.476 2.796 20 0 GFADMN CC(C)n1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1C1CC[NH2+]CC1 ZINC000735961921 599266068 /nfs/dbraw/zinc/26/60/68/599266068.db2.gz WVUFLBSHJCCGIJ-UHFFFAOYSA-N 0 1 388.476 2.796 20 0 GFADMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc(Br)c1OC(F)F ZINC000820763867 598128311 /nfs/dbraw/zinc/12/83/11/598128311.db2.gz IRVZJWVKAAPVMU-VIFPVBQESA-N 0 1 380.185 2.966 20 0 GFADMN Cc1cc(C)cc(OCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737256163 598253261 /nfs/dbraw/zinc/25/32/61/598253261.db2.gz LAQZFXVTSCKDLF-UHFFFAOYSA-N 0 1 378.480 2.685 20 0 GFADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736434325 598618218 /nfs/dbraw/zinc/61/82/18/598618218.db2.gz DOENWLWQYHEUAA-MFKMUULPSA-N 0 1 376.486 2.778 20 0 GFADMN CC(C)c1ccccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735933669 598718826 /nfs/dbraw/zinc/71/88/26/598718826.db2.gz ZQTYZBRXEYGCRS-UHFFFAOYSA-N 0 1 388.431 2.944 20 0 GFADMN CCCCOCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000736463452 598722743 /nfs/dbraw/zinc/72/27/43/598722743.db2.gz NTNZUWDYABYQEQ-UHFFFAOYSA-N 0 1 392.257 2.761 20 0 GFADMN COc1ccc(CN2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000737091285 599308183 /nfs/dbraw/zinc/30/81/83/599308183.db2.gz SGFPTAXDWZQWOO-HNNXBMFYSA-N 0 1 396.470 2.893 20 0 GFADMN Cc1cccnc1[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)C(C)C ZINC000737436037 599355625 /nfs/dbraw/zinc/35/56/25/599355625.db2.gz QNECVTSGNZQFOL-RHSMWYFYSA-N 0 1 379.468 2.884 20 0 GFADMN COc1cc(C)c(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1OC ZINC000821708687 599402139 /nfs/dbraw/zinc/40/21/39/599402139.db2.gz WFGZVGDLMOWSAD-UHFFFAOYSA-N 0 1 394.479 2.515 20 0 GFADMN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000820913696 599465158 /nfs/dbraw/zinc/46/51/58/599465158.db2.gz JMGXELKDXDZMEN-CYBMUJFWSA-N 0 1 398.492 2.783 20 0 GFADMN c1cc2nccc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2s1 ZINC000823757049 599466403 /nfs/dbraw/zinc/46/64/03/599466403.db2.gz KEFQPLXUTKCCCR-UHFFFAOYSA-N 0 1 377.477 2.799 20 0 GFADMN CC1(C)C(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1(C)C ZINC000820584871 599695747 /nfs/dbraw/zinc/69/57/47/599695747.db2.gz KRHWKKPCLDMUNQ-UHFFFAOYSA-N 0 1 382.512 2.583 20 0 GFADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738313106 599710904 /nfs/dbraw/zinc/71/09/04/599710904.db2.gz XKTOJDZCHGSBLB-HNNXBMFYSA-N 0 1 398.463 2.567 20 0 GFADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738313106 599710907 /nfs/dbraw/zinc/71/09/07/599710907.db2.gz XKTOJDZCHGSBLB-HNNXBMFYSA-N 0 1 398.463 2.567 20 0 GFADMN CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000736248190 599727713 /nfs/dbraw/zinc/72/77/13/599727713.db2.gz FKOPNUSMKYQUGR-UHFFFAOYSA-N 0 1 388.917 2.781 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C[C@@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000738291705 599780910 /nfs/dbraw/zinc/78/09/10/599780910.db2.gz POBGUYVRZDRFKY-SNVBAGLBSA-N 0 1 379.482 2.507 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413121 599792558 /nfs/dbraw/zinc/79/25/58/599792558.db2.gz GHJYIMDZBYKMAL-AWEZNQCLSA-N 0 1 391.468 2.512 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC000737413121 599792559 /nfs/dbraw/zinc/79/25/59/599792559.db2.gz GHJYIMDZBYKMAL-AWEZNQCLSA-N 0 1 391.468 2.512 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000739622972 599815287 /nfs/dbraw/zinc/81/52/87/599815287.db2.gz YOUUZHZFINXZBU-AZUAARDMSA-N 0 1 382.435 2.653 20 0 GFADMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736880837 599818643 /nfs/dbraw/zinc/81/86/43/599818643.db2.gz ZTZXJLPFPSFKPE-VFNWGFHPSA-N 0 1 388.508 2.982 20 0 GFADMN CC[NH+]1CCN(C[C@@H](C)CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000573850351 599853987 /nfs/dbraw/zinc/85/39/87/599853987.db2.gz IIJMHDNPFMVNOB-LBPRGKRZSA-N 0 1 391.541 2.692 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000184919763 599933266 /nfs/dbraw/zinc/93/32/66/599933266.db2.gz OQFWWFFAGCLMIG-GASCZTMLSA-N 0 1 382.526 2.730 20 0 GFADMN C[C@H](C[N@H+](CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580074 599934141 /nfs/dbraw/zinc/93/41/41/599934141.db2.gz XKCZFXPXQGRQPJ-JLCFBVMHSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@H](C[N@@H+](CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580074 599934142 /nfs/dbraw/zinc/93/41/42/599934142.db2.gz XKCZFXPXQGRQPJ-JLCFBVMHSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@H](C[N@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577924 599934225 /nfs/dbraw/zinc/93/42/25/599934225.db2.gz HILKZHVSRWGPNN-WCGZIJFHSA-N 0 1 379.501 2.656 20 0 GFADMN C[C@H](C[N@@H+](CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577924 599934228 /nfs/dbraw/zinc/93/42/28/599934228.db2.gz HILKZHVSRWGPNN-WCGZIJFHSA-N 0 1 379.501 2.656 20 0 GFADMN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000738850342 599968994 /nfs/dbraw/zinc/96/89/94/599968994.db2.gz PKDBISFHHCWRCK-XJKSGUPXSA-N 0 1 387.484 2.521 20 0 GFADMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC000738850342 599968997 /nfs/dbraw/zinc/96/89/97/599968997.db2.gz PKDBISFHHCWRCK-XJKSGUPXSA-N 0 1 387.484 2.521 20 0 GFADMN Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000738369624 599969077 /nfs/dbraw/zinc/96/90/77/599969077.db2.gz NSXOIRONMSXHBM-AWEZNQCLSA-N 0 1 376.482 2.753 20 0 GFADMN Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000738369624 599969078 /nfs/dbraw/zinc/96/90/78/599969078.db2.gz NSXOIRONMSXHBM-AWEZNQCLSA-N 0 1 376.482 2.753 20 0 GFADMN Cc1c(C(=O)Nc2ccccc2C(=O)[O-])nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738172591 599995113 /nfs/dbraw/zinc/99/51/13/599995113.db2.gz MTNVOMKVFMETHA-UHFFFAOYSA-N 0 1 391.431 2.514 20 0 GFADMN O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000740235930 600016983 /nfs/dbraw/zinc/01/69/83/600016983.db2.gz UXVTUHCVMWJIJM-KRWDZBQOSA-N 0 1 380.510 2.708 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000737113570 600032116 /nfs/dbraw/zinc/03/21/16/600032116.db2.gz DCCUZMBBMGVQBZ-CTWPCTMYSA-N 0 1 388.512 2.721 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C(=O)[O-])c3cccs3)CC2)cs1 ZINC000738855286 600067141 /nfs/dbraw/zinc/06/71/41/600067141.db2.gz PXPSNZDQMAZMBM-OAHLLOKOSA-N 0 1 379.507 2.667 20 0 GFADMN COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000738047509 600082822 /nfs/dbraw/zinc/08/28/22/600082822.db2.gz GGYAWRAOBQAOEN-UHFFFAOYSA-N 0 1 388.439 2.859 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738236161 600086187 /nfs/dbraw/zinc/08/61/87/600086187.db2.gz LDFPSNGRSYVPGF-LSDHHAIUSA-N 0 1 398.463 2.647 20 0 GFADMN 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XQPXIKMEBVWSDH-RKOGWWSCSA-N 0 1 376.497 2.952 20 0 GFADMN C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000827225936 602297545 /nfs/dbraw/zinc/29/75/45/602297545.db2.gz GEAQANZLMSHJFX-JTSKRJEESA-N 0 1 381.476 2.811 20 0 GFADMN C[C@H](NC(=O)C[N@H+](CC(=O)[O-])C1CCCC1)c1ccc(Br)cc1 ZINC000390271330 602331895 /nfs/dbraw/zinc/33/18/95/602331895.db2.gz KITWMGLEAXVRCS-LBPRGKRZSA-N 0 1 383.286 2.956 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1)c1ccc(Br)cc1 ZINC000390271330 602331898 /nfs/dbraw/zinc/33/18/98/602331898.db2.gz KITWMGLEAXVRCS-LBPRGKRZSA-N 0 1 383.286 2.956 20 0 GFADMN CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830507070 602363611 /nfs/dbraw/zinc/36/36/11/602363611.db2.gz CSLDJGUTTHBONX-SFHVURJKSA-N 0 1 383.448 2.888 20 0 GFADMN CC(C)[C@H](NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738792120 602383290 /nfs/dbraw/zinc/38/32/90/602383290.db2.gz ZRSREFYKXHRFBN-IBGZPJMESA-N 0 1 379.476 2.961 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000739386184 602419397 /nfs/dbraw/zinc/41/93/97/602419397.db2.gz WXNPMLKELHREAZ-UHFFFAOYSA-N 0 1 376.501 2.670 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000739175776 602455607 /nfs/dbraw/zinc/45/56/07/602455607.db2.gz LAFDMNNTIBHCKG-JFIYKMOQSA-N 0 1 391.512 2.780 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@@H](CN(C)C(=O)[O-])C3)c2)cs1 ZINC000740209578 602542094 /nfs/dbraw/zinc/54/20/94/602542094.db2.gz MLDQRXMEEMUPFF-AWEZNQCLSA-N 0 1 388.493 2.989 20 0 GFADMN Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@@H](CN(C)C(=O)[O-])C3)c2)cs1 ZINC000740209578 602542097 /nfs/dbraw/zinc/54/20/97/602542097.db2.gz MLDQRXMEEMUPFF-AWEZNQCLSA-N 0 1 388.493 2.989 20 0 GFADMN CCC[N@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353236 602545121 /nfs/dbraw/zinc/54/51/21/602545121.db2.gz HVHXNZSMUTZPFG-LBPRGKRZSA-N 0 1 384.274 2.852 20 0 GFADMN CCC[N@@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353236 602545123 /nfs/dbraw/zinc/54/51/23/602545123.db2.gz HVHXNZSMUTZPFG-LBPRGKRZSA-N 0 1 384.274 2.852 20 0 GFADMN CCC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360456 602548057 /nfs/dbraw/zinc/54/80/57/602548057.db2.gz VXRLQQPWNZOFPF-MRXNPFEDSA-N 0 1 388.493 2.873 20 0 GFADMN CCC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360456 602548058 /nfs/dbraw/zinc/54/80/58/602548058.db2.gz VXRLQQPWNZOFPF-MRXNPFEDSA-N 0 1 388.493 2.873 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000740433390 602569960 /nfs/dbraw/zinc/56/99/60/602569960.db2.gz POWGLCHEXIODFD-UXHICEINSA-N 0 1 381.476 2.745 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)C1 ZINC000739269388 602575955 /nfs/dbraw/zinc/57/59/55/602575955.db2.gz UPNHUIZVNZUCTK-CVEARBPZSA-N 0 1 382.549 2.965 20 0 GFADMN C[C@H](c1ccc(NC(=O)CC2CCN(C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739056184 602684177 /nfs/dbraw/zinc/68/41/77/602684177.db2.gz IMOHQDPCLPNZNX-OAHLLOKOSA-N 0 1 375.469 2.798 20 0 GFADMN COc1cc(-c2nc(C[N@H+]3CC[C@@H](CN(C)C(=O)[O-])C3)cs2)ccc1O ZINC000739851503 602718613 /nfs/dbraw/zinc/71/86/13/602718613.db2.gz IEWLCIWUVDNOLQ-LBPRGKRZSA-N 0 1 377.466 2.956 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000739183203 602760436 /nfs/dbraw/zinc/76/04/36/602760436.db2.gz GINRZEXXXMIIJA-WNKDZCFJSA-N 0 1 389.496 2.509 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000739183203 602760438 /nfs/dbraw/zinc/76/04/38/602760438.db2.gz GINRZEXXXMIIJA-WNKDZCFJSA-N 0 1 389.496 2.509 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740050355 602766493 /nfs/dbraw/zinc/76/64/93/602766493.db2.gz XYCZXNNHHARRKR-RISCZKNCSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740050355 602766495 /nfs/dbraw/zinc/76/64/95/602766495.db2.gz XYCZXNNHHARRKR-RISCZKNCSA-N 0 1 384.274 2.674 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739177211 602784931 /nfs/dbraw/zinc/78/49/31/602784931.db2.gz VLEZYULWSQBJHI-CRAIPNDOSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739177211 602784934 /nfs/dbraw/zinc/78/49/34/602784934.db2.gz VLEZYULWSQBJHI-CRAIPNDOSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179715 602788237 /nfs/dbraw/zinc/78/82/37/602788237.db2.gz WZKUWJNWIIOEKH-JTNHKYCSSA-N 0 1 389.374 2.890 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179715 602788239 /nfs/dbraw/zinc/78/82/39/602788239.db2.gz WZKUWJNWIIOEKH-JTNHKYCSSA-N 0 1 389.374 2.890 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178506 602792209 /nfs/dbraw/zinc/79/22/09/602792209.db2.gz RGJSDCBSYGNBTP-GJYPPUQNSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178506 602792211 /nfs/dbraw/zinc/79/22/11/602792211.db2.gz RGJSDCBSYGNBTP-GJYPPUQNSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739188850 602833047 /nfs/dbraw/zinc/83/30/47/602833047.db2.gz KVVDNDBKFIXASV-HKUYNNGSSA-N 0 1 388.512 2.682 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000738834109 602890402 /nfs/dbraw/zinc/89/04/02/602890402.db2.gz IMTSJULGMPCIGZ-GOSISDBHSA-N 0 1 376.501 2.859 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739144932 602922807 /nfs/dbraw/zinc/92/28/07/602922807.db2.gz IGNDRXOLSQRQCL-IIDMSEBBSA-N 0 1 390.484 2.590 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)[C@@H](C)C1 ZINC000827399585 602947427 /nfs/dbraw/zinc/94/74/27/602947427.db2.gz KPMZHCZZKGCYQP-DOTOQJQBSA-N 0 1 377.485 2.952 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736810808 602985560 /nfs/dbraw/zinc/98/55/60/602985560.db2.gz VNYHPKUFYXWIRM-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736810808 602985564 /nfs/dbraw/zinc/98/55/64/602985564.db2.gz VNYHPKUFYXWIRM-DNVCBOLYSA-N 0 1 383.448 2.656 20 0 GFADMN Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@H](CN(C)C(=O)[O-])C2)C1=O ZINC000740081732 602992107 /nfs/dbraw/zinc/99/21/07/602992107.db2.gz IQTBIJZKCCSELK-CRAIPNDOSA-N 0 1 377.460 2.951 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739058351 603030832 /nfs/dbraw/zinc/03/08/32/603030832.db2.gz OEQUGIZWMMXITO-OWCLPIDISA-N 0 1 390.484 2.684 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000740520073 603081555 /nfs/dbraw/zinc/08/15/55/603081555.db2.gz VFCQABKJROZHQB-CEXWTWQISA-N 0 1 387.480 2.862 20 0 GFADMN CCN(Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1)C(=O)[O-] ZINC000739448516 603143384 /nfs/dbraw/zinc/14/33/84/603143384.db2.gz WMDDCXJHDDMCCR-GOSISDBHSA-N 0 1 392.500 2.665 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416863 603176363 /nfs/dbraw/zinc/17/63/63/603176363.db2.gz MXMWXXZIFDEZSH-DNVCBOLYSA-N 0 1 383.448 2.855 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416863 603176366 /nfs/dbraw/zinc/17/63/66/603176366.db2.gz MXMWXXZIFDEZSH-DNVCBOLYSA-N 0 1 383.448 2.855 20 0 GFADMN C[C@@H]1CN(Cc2ccc(C[NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186071 603265249 /nfs/dbraw/zinc/26/52/49/603265249.db2.gz DVAKMOSSWSUJFQ-HLIPFELVSA-N 0 1 375.513 2.775 20 0 GFADMN O=C([O-])N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000740536906 603276635 /nfs/dbraw/zinc/27/66/35/603276635.db2.gz RQRODXCBSOLFHW-VQTJNVASSA-N 0 1 381.476 2.646 20 0 GFADMN C[C@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000824908026 603306288 /nfs/dbraw/zinc/30/62/88/603306288.db2.gz PRJCCMRBECRVCJ-OXQOHEQNSA-N 0 1 381.476 2.601 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC[N@H+]1CCOC ZINC000739279945 603345713 /nfs/dbraw/zinc/34/57/13/603345713.db2.gz PZIQAVNWCZYGJM-SFHVURJKSA-N 0 1 392.500 2.761 20 0 GFADMN CCN(Cc1ccccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000739442084 603354367 /nfs/dbraw/zinc/35/43/67/603354367.db2.gz GNPNYKANGFKVMR-IYBDPMFKSA-N 0 1 392.500 2.807 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@H](C)O1 ZINC000739173156 603357897 /nfs/dbraw/zinc/35/78/97/603357897.db2.gz FUQQRQJWHGIZNO-GASCZTMLSA-N 0 1 392.500 2.806 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@H](C)O1 ZINC000739173156 603357902 /nfs/dbraw/zinc/35/79/02/603357902.db2.gz FUQQRQJWHGIZNO-GASCZTMLSA-N 0 1 392.500 2.806 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C[C@H](C)O1 ZINC000739173158 603357974 /nfs/dbraw/zinc/35/79/74/603357974.db2.gz FUQQRQJWHGIZNO-GJZGRUSLSA-N 0 1 392.500 2.806 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000826680322 603386508 /nfs/dbraw/zinc/38/65/08/603386508.db2.gz ARYZDSGAJQZPQG-PBHICJAKSA-N 0 1 378.473 2.590 20 0 GFADMN CCOCC[N@@H+]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C[C@@H]1C ZINC000827399912 603387710 /nfs/dbraw/zinc/38/77/10/603387710.db2.gz SOQOPOYDIKRVHC-LSDHHAIUSA-N 0 1 378.473 2.590 20 0 GFADMN CCOCC[N@H+]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C[C@@H]1C ZINC000827399912 603387712 /nfs/dbraw/zinc/38/77/12/603387712.db2.gz SOQOPOYDIKRVHC-LSDHHAIUSA-N 0 1 378.473 2.590 20 0 GFADMN Cc1csc([C@@H]2CCC[N@H+]2C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC000830661103 603404247 /nfs/dbraw/zinc/40/42/47/603404247.db2.gz QUOPTADSWAXVEH-ULQDDVLXSA-N 0 1 375.494 2.828 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CC[C@H]1NC(=O)[O-] ZINC000739184222 603411786 /nfs/dbraw/zinc/41/17/86/603411786.db2.gz WBWZGVPAJCJWED-DGCLKSJQSA-N 0 1 384.274 2.756 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244896 603485483 /nfs/dbraw/zinc/48/54/83/603485483.db2.gz ARLGRWFSVZKDSR-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1)C(=O)[O-] ZINC000828244896 603485488 /nfs/dbraw/zinc/48/54/88/603485488.db2.gz ARLGRWFSVZKDSR-FUHWJXTLSA-N 0 1 377.460 2.639 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000832635741 603529403 /nfs/dbraw/zinc/52/94/03/603529403.db2.gz AFUCJLLMUFRKNG-HNNXBMFYSA-N 0 1 384.480 2.513 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000830839400 603539095 /nfs/dbraw/zinc/53/90/95/603539095.db2.gz HWYSTESBOHPFPA-KRWDZBQOSA-N 0 1 385.468 2.502 20 0 GFADMN COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829556917 603553926 /nfs/dbraw/zinc/55/39/26/603553926.db2.gz WUWIALCYIBYIIS-OALUTQOASA-N 0 1 389.496 2.651 20 0 GFADMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000826691882 603583302 /nfs/dbraw/zinc/58/33/02/603583302.db2.gz XCWWVSJOMHNYKA-DLBZAZTESA-N 0 1 390.484 2.814 20 0 GFADMN CCN(CC1CC[NH+](CN2C[C@H](c3cccc(F)c3)CC2=O)CC1)C(=O)[O-] ZINC000827099600 603601093 /nfs/dbraw/zinc/60/10/93/603601093.db2.gz QQVLJFPVZDXCKI-QGZVFWFLSA-N 0 1 377.460 2.811 20 0 GFADMN O=C([O-])NCC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000832438213 603649302 /nfs/dbraw/zinc/64/93/02/603649302.db2.gz JEAOZUWIZJNQGD-OAHLLOKOSA-N 0 1 379.526 2.904 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000826066587 603675029 /nfs/dbraw/zinc/67/50/29/603675029.db2.gz GADNONPYLLJJQK-BHIYHBOVSA-N 0 1 388.512 2.538 20 0 GFADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])cc1 ZINC000828017618 603852801 /nfs/dbraw/zinc/85/28/01/603852801.db2.gz RPLDIMJRUHLMAU-SJORKVTESA-N 0 1 390.484 2.732 20 0 GFADMN CC(C)[C@H](CC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1)NC(=O)[O-] ZINC000824100577 603852894 /nfs/dbraw/zinc/85/28/94/603852894.db2.gz WKUYVEBUXKYPJN-ZDUSSCGKSA-N 0 1 378.498 2.873 20 0 GFADMN CC(C)[C@H](CC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1)NC(=O)[O-] ZINC000824100577 603852895 /nfs/dbraw/zinc/85/28/95/603852895.db2.gz WKUYVEBUXKYPJN-ZDUSSCGKSA-N 0 1 378.498 2.873 20 0 GFADMN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000825416132 603863707 /nfs/dbraw/zinc/86/37/07/603863707.db2.gz JURXRONSVSISRP-VFNWGFHPSA-N 0 1 383.448 2.591 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000825795373 603872740 /nfs/dbraw/zinc/87/27/40/603872740.db2.gz UTXPFMZETWJRLN-WFDLBOFBSA-N 0 1 386.496 2.622 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000825282317 603880963 /nfs/dbraw/zinc/88/09/63/603880963.db2.gz YOERPTLNKHPRDF-TXPKVOOTSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831793538 603960419 /nfs/dbraw/zinc/96/04/19/603960419.db2.gz MWENTCGBSHYBHC-LJQANCHMSA-N 0 1 381.432 2.567 20 0 GFADMN O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831793538 603960424 /nfs/dbraw/zinc/96/04/24/603960424.db2.gz MWENTCGBSHYBHC-LJQANCHMSA-N 0 1 381.432 2.567 20 0 GFADMN COc1ccc([C@@H](NC(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)C(C)C)cc1 ZINC000829312384 603984969 /nfs/dbraw/zinc/98/49/69/603984969.db2.gz UEPUYLBEPQUUQG-IBGZPJMESA-N 0 1 377.485 2.583 20 0 GFADMN Cc1ccc([C@@H]2CCCCN2C(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)o1 ZINC000830282135 604009635 /nfs/dbraw/zinc/00/96/35/604009635.db2.gz ODSWIKUZYSXWHT-INIZCTEOSA-N 0 1 378.473 2.510 20 0 GFADMN CN(C[C@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000828223799 604102378 /nfs/dbraw/zinc/10/23/78/604102378.db2.gz PWSHWNZQNVLJQH-NEPJUHHUSA-N 0 1 377.268 2.807 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000830818559 604134626 /nfs/dbraw/zinc/13/46/26/604134626.db2.gz NFEGIARPVDDMOZ-LLVKDONJSA-N 0 1 385.449 2.896 20 0 GFADMN COc1ccccc1CN(C)C(=O)C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000829626995 604235053 /nfs/dbraw/zinc/23/50/53/604235053.db2.gz MCXFFBRQPSDXCL-UHFFFAOYSA-N 0 1 389.496 2.508 20 0 GFADMN C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825251780 604241608 /nfs/dbraw/zinc/24/16/08/604241608.db2.gz AWOYJXJOTKJEPE-ZNMIVQPWSA-N 0 1 377.510 2.882 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830818197 604314646 /nfs/dbraw/zinc/31/46/46/604314646.db2.gz IJNLVQBKYQQLPV-RHSMWYFYSA-N 0 1 385.468 2.608 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830818200 604314713 /nfs/dbraw/zinc/31/47/13/604314713.db2.gz IJNLVQBKYQQLPV-WMLDXEAASA-N 0 1 385.468 2.608 20 0 GFADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CSCC(=O)[O-])c3)CC[C@@H]21 ZINC000830941406 604333942 /nfs/dbraw/zinc/33/39/42/604333942.db2.gz YWENXYYXXRSQMR-RDJZCZTQSA-N 0 1 377.510 2.952 20 0 GFADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(CSCC(=O)[O-])c3)CC[C@H]21 ZINC000830941404 604334093 /nfs/dbraw/zinc/33/40/93/604334093.db2.gz YWENXYYXXRSQMR-DOTOQJQBSA-N 0 1 377.510 2.952 20 0 GFADMN C[N@H+]1CCCC[C@H]1CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000830940766 604358787 /nfs/dbraw/zinc/35/87/87/604358787.db2.gz JKDDIVPYNOCRSQ-OALUTQOASA-N 0 1 379.932 2.958 20 0 GFADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000827015347 604402738 /nfs/dbraw/zinc/40/27/38/604402738.db2.gz BXFJQHIWNZTYIL-KKSFZXQISA-N 0 1 384.476 2.965 20 0 GFADMN Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CC2)cn1 ZINC000833046229 604449353 /nfs/dbraw/zinc/44/93/53/604449353.db2.gz MSSDXEDEXCQUDL-UHFFFAOYSA-N 0 1 391.859 2.512 20 0 GFADMN Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CC2)cn1 ZINC000833046229 604449354 /nfs/dbraw/zinc/44/93/54/604449354.db2.gz MSSDXEDEXCQUDL-UHFFFAOYSA-N 0 1 391.859 2.512 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)c1 ZINC000832432105 604462460 /nfs/dbraw/zinc/46/24/60/604462460.db2.gz XCGVBXVQJKGLIK-QGZVFWFLSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)c1 ZINC000832432105 604462466 /nfs/dbraw/zinc/46/24/66/604462466.db2.gz XCGVBXVQJKGLIK-QGZVFWFLSA-N 0 1 390.480 2.697 20 0 GFADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1)C(=O)[O-] ZINC000833640513 604481485 /nfs/dbraw/zinc/48/14/85/604481485.db2.gz ZGPGNPQRVWZGAV-ACJLOTCBSA-N 0 1 382.888 2.799 20 0 GFADMN O=C([O-])[C@]1([NH2+]CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCOC1 ZINC000833764246 604485864 /nfs/dbraw/zinc/48/58/64/604485864.db2.gz CHUKWDYGNYLMNF-IBGZPJMESA-N 0 1 390.823 2.904 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+](C)CC3CCOCC3)c2C(=O)[O-])C1 ZINC000833616538 604490271 /nfs/dbraw/zinc/49/02/71/604490271.db2.gz CLRFPAKFHWIVLQ-LBPRGKRZSA-N 0 1 380.510 2.868 20 0 GFADMN C[NH+]1CCN([C@@H](CNC(=O)Nc2cc(C(=O)[O-])cs2)c2cccs2)CC1 ZINC000830949836 604505267 /nfs/dbraw/zinc/50/52/67/604505267.db2.gz GVBWLYRGWSVWJP-ZDUSSCGKSA-N 0 1 394.522 2.618 20 0 GFADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000827479280 604511022 /nfs/dbraw/zinc/51/10/22/604511022.db2.gz XXQZSSVMWOSNMG-AWEZNQCLSA-N 0 1 388.493 2.779 20 0 GFADMN O=C([O-])c1csc(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000833138857 604516492 /nfs/dbraw/zinc/51/64/92/604516492.db2.gz PPWFQNVSQXCYMO-UHFFFAOYSA-N 0 1 392.456 2.529 20 0 GFADMN C[C@@H](Oc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000833540019 604530918 /nfs/dbraw/zinc/53/09/18/604530918.db2.gz IMFNWKNHSRFPFG-ZBFHGGJFSA-N 0 1 378.469 2.980 20 0 GFADMN C[C@H](Oc1ccc(CN2CC[N@@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833541856 604636275 /nfs/dbraw/zinc/63/62/75/604636275.db2.gz OMAGLHZTIDRJPZ-SPEDKVCISA-N 0 1 398.503 2.778 20 0 GFADMN C[C@H](Oc1ccc(C[N@@H+]2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833541856 604636281 /nfs/dbraw/zinc/63/62/81/604636281.db2.gz OMAGLHZTIDRJPZ-SPEDKVCISA-N 0 1 398.503 2.778 20 0 GFADMN C[C@H](Oc1ccc(C[N@H+]2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833541856 604636284 /nfs/dbraw/zinc/63/62/84/604636284.db2.gz OMAGLHZTIDRJPZ-SPEDKVCISA-N 0 1 398.503 2.778 20 0 GFADMN C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC000833697913 604706698 /nfs/dbraw/zinc/70/66/98/604706698.db2.gz JMHBPIMFRGPORD-DLBZAZTESA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC000833697913 604706701 /nfs/dbraw/zinc/70/67/01/604706701.db2.gz JMHBPIMFRGPORD-DLBZAZTESA-N 0 1 394.880 2.762 20 0 GFADMN CC(C)(C)C1=CC[N@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000833427163 604769343 /nfs/dbraw/zinc/76/93/43/604769343.db2.gz LZSPCBIXZUXBID-IBGZPJMESA-N 0 1 383.492 2.958 20 0 GFADMN CC(C)(C)C1=CC[N@@H+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000833427163 604769346 /nfs/dbraw/zinc/76/93/46/604769346.db2.gz LZSPCBIXZUXBID-IBGZPJMESA-N 0 1 383.492 2.958 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cnc(C(=O)[O-])cn3)cc2)C1 ZINC000647116686 604782451 /nfs/dbraw/zinc/78/24/51/604782451.db2.gz OJOCLMSQFDYLGU-GASCZTMLSA-N 0 1 382.464 2.583 20 0 GFADMN CCN(C(=O)NC1CCN(C(=O)[O-])CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000826980642 604787512 /nfs/dbraw/zinc/78/75/12/604787512.db2.gz XYUHXNFQNCMBPH-APWZRJJASA-N 0 1 388.512 2.996 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CC(=O)c1cc(C)c(F)c(C)c1 ZINC000826294941 607715311 /nfs/dbraw/zinc/71/53/11/607715311.db2.gz KHDNRGLYHDOMOZ-UHFFFAOYSA-N 0 1 392.394 2.524 20 0 GFADMN CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000826885960 604809903 /nfs/dbraw/zinc/80/99/03/604809903.db2.gz NFEIQCPWFPPLEI-ZDUSSCGKSA-N 0 1 388.917 2.685 20 0 GFADMN 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Cc1nnc([C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)o1 ZINC000822510831 606487752 /nfs/dbraw/zinc/48/77/52/606487752.db2.gz WPCGEOIZDFDPMY-ZDUSSCGKSA-N 0 1 391.382 2.539 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000822731994 606489537 /nfs/dbraw/zinc/48/95/37/606489537.db2.gz HDVFTYLHUZXKOC-AWEZNQCLSA-N 0 1 375.383 2.502 20 0 GFADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(n2ccnc2)CC1 ZINC000822731401 606491162 /nfs/dbraw/zinc/49/11/62/606491162.db2.gz CSIXHKYXCCGSFB-UHFFFAOYSA-N 0 1 375.383 2.502 20 0 GFADMN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175381 606538924 /nfs/dbraw/zinc/53/89/24/606538924.db2.gz HDHPANPVXINOKS-OAHLLOKOSA-N 0 1 382.493 2.713 20 0 GFADMN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823140312 606540787 /nfs/dbraw/zinc/54/07/87/606540787.db2.gz RZAYJDXQWMPANG-MRXNPFEDSA-N 0 1 382.493 2.885 20 0 GFADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197880 606578884 /nfs/dbraw/zinc/57/88/84/606578884.db2.gz MYCCHJLJUIPSTG-MRXNPFEDSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821197880 606578886 /nfs/dbraw/zinc/57/88/86/606578886.db2.gz MYCCHJLJUIPSTG-MRXNPFEDSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197880 606578888 /nfs/dbraw/zinc/57/88/88/606578888.db2.gz MYCCHJLJUIPSTG-MRXNPFEDSA-N 0 1 396.520 2.912 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821197880 606578890 /nfs/dbraw/zinc/57/88/90/606578890.db2.gz MYCCHJLJUIPSTG-MRXNPFEDSA-N 0 1 396.520 2.912 20 0 GFADMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820722943 606580618 /nfs/dbraw/zinc/58/06/18/606580618.db2.gz RXXOOACQUGFLDF-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN O=S(=O)(Nc1ccc(Cl)c(-c2nn[nH]n2)c1)c1cnc2ccsc2c1 ZINC000823588763 606591719 /nfs/dbraw/zinc/59/17/19/606591719.db2.gz AYDBCTWWBCZKFQ-UHFFFAOYSA-N 0 1 392.853 2.931 20 0 GFADMN CC(C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)=C1CCCC1 ZINC000819856772 606616450 /nfs/dbraw/zinc/61/64/50/606616450.db2.gz LQDYPIZFANISLB-UHFFFAOYSA-N 0 1 380.496 2.792 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1Cl ZINC000822266797 606751404 /nfs/dbraw/zinc/75/14/04/606751404.db2.gz JDDLZZUONYNZRN-UHFFFAOYSA-N 0 1 392.872 2.695 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821969657 606768850 /nfs/dbraw/zinc/76/88/50/606768850.db2.gz CPBVJDWQXPUOJT-NSHDSACASA-N 0 1 398.492 2.785 20 0 GFADMN CC(C)Cc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000820108543 606781276 /nfs/dbraw/zinc/78/12/76/606781276.db2.gz MOMGADJQXCJNPY-MRXNPFEDSA-N 0 1 392.511 2.566 20 0 GFADMN CC(C)Cc1ccc(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000820108543 606781278 /nfs/dbraw/zinc/78/12/78/606781278.db2.gz MOMGADJQXCJNPY-MRXNPFEDSA-N 0 1 392.511 2.566 20 0 GFADMN Cc1ccc(C)c([C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@H](C)CO2)c1 ZINC000822231907 606903683 /nfs/dbraw/zinc/90/36/83/606903683.db2.gz MCRJOGZLXJSCEE-HBGVWJBISA-N 0 1 393.491 2.979 20 0 GFADMN CC(C)CN1CCO[C@H](CNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)C1 ZINC000820092490 606916921 /nfs/dbraw/zinc/91/69/21/606916921.db2.gz MRMCVLNOBNDPPW-CYBMUJFWSA-N 0 1 384.406 2.654 20 0 GFADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOCC2)c1 ZINC000820426663 607058938 /nfs/dbraw/zinc/05/89/38/607058938.db2.gz MDMVAMKVTBLJMU-CQSZACIVSA-N 0 1 382.443 2.693 20 0 GFADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821014028 607164520 /nfs/dbraw/zinc/16/45/20/607164520.db2.gz AVMFNANIXAQHEN-GWCFXTLKSA-N 0 1 376.486 2.730 20 0 GFADMN CC(C)CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC000824255651 607829406 /nfs/dbraw/zinc/82/94/06/607829406.db2.gz RSCCMZFTIIJCLR-UHFFFAOYSA-N 0 1 379.530 2.645 20 0 GFADMN c1sc2ccccc2c1C[NH+]1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826514314 607895892 /nfs/dbraw/zinc/89/58/92/607895892.db2.gz NQJGXCKDYJDCFO-UHFFFAOYSA-N 0 1 377.477 2.799 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825865581 607902143 /nfs/dbraw/zinc/90/21/43/607902143.db2.gz GTFWLNUJVBJHAC-UHFFFAOYSA-N 0 1 391.401 2.849 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825865581 607902144 /nfs/dbraw/zinc/90/21/44/607902144.db2.gz GTFWLNUJVBJHAC-UHFFFAOYSA-N 0 1 391.401 2.849 20 0 GFADMN COC(=O)COc1c(C)cc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)cc1C ZINC000826138257 607974179 /nfs/dbraw/zinc/97/41/79/607974179.db2.gz MJANYEREDZZPGW-UHFFFAOYSA-N 0 1 378.392 2.579 20 0 GFADMN CN(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)c1ccco1 ZINC000825848481 607987701 /nfs/dbraw/zinc/98/77/01/607987701.db2.gz DFPHWIOABGNGFC-ZDUSSCGKSA-N 0 1 377.246 2.937 20 0 GFADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761948 608036491 /nfs/dbraw/zinc/03/64/91/608036491.db2.gz DGKANKDFPYKNQW-VIFPVBQESA-N 0 1 378.843 2.590 20 0 GFADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824761948 608036492 /nfs/dbraw/zinc/03/64/92/608036492.db2.gz DGKANKDFPYKNQW-VIFPVBQESA-N 0 1 378.843 2.590 20 0 GFADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761948 608036493 /nfs/dbraw/zinc/03/64/93/608036493.db2.gz DGKANKDFPYKNQW-VIFPVBQESA-N 0 1 378.843 2.590 20 0 GFADMN C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824761948 608036494 /nfs/dbraw/zinc/03/64/94/608036494.db2.gz DGKANKDFPYKNQW-VIFPVBQESA-N 0 1 378.843 2.590 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000823826548 608049884 /nfs/dbraw/zinc/04/98/84/608049884.db2.gz LCMARGMFQJKRPQ-ZDUSSCGKSA-N 0 1 377.290 2.694 20 0 GFADMN O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430063 608134954 /nfs/dbraw/zinc/13/49/54/608134954.db2.gz SNUSWQVVJWPMCX-BZUAXINKSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000826430063 608134955 /nfs/dbraw/zinc/13/49/55/608134955.db2.gz SNUSWQVVJWPMCX-BZUAXINKSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430063 608134956 /nfs/dbraw/zinc/13/49/56/608134956.db2.gz SNUSWQVVJWPMCX-BZUAXINKSA-N 0 1 394.504 2.569 20 0 GFADMN O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000826430063 608134957 /nfs/dbraw/zinc/13/49/57/608134957.db2.gz SNUSWQVVJWPMCX-BZUAXINKSA-N 0 1 394.504 2.569 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000826185025 608151066 /nfs/dbraw/zinc/15/10/66/608151066.db2.gz WAGDKIHBMFDCPI-UHFFFAOYSA-N 0 1 381.421 2.658 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825866112 608190700 /nfs/dbraw/zinc/19/07/00/608190700.db2.gz RKQJKEIZXFSDIE-UHFFFAOYSA-N 0 1 399.858 2.823 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825866112 608190701 /nfs/dbraw/zinc/19/07/01/608190701.db2.gz RKQJKEIZXFSDIE-UHFFFAOYSA-N 0 1 399.858 2.823 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(Cc2cccnc2)CC1 ZINC000824045393 608208516 /nfs/dbraw/zinc/20/85/16/608208516.db2.gz LYRPDPJWAVEVES-HNNXBMFYSA-N 0 1 391.479 2.543 20 0 GFADMN CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824119588 608236543 /nfs/dbraw/zinc/23/65/43/608236543.db2.gz LISPVUOSXZQUMD-UHFFFAOYSA-N 0 1 391.428 2.984 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN(CCO)[C@H]1CCCc2ccccc21 ZINC000826168792 608372009 /nfs/dbraw/zinc/37/20/09/608372009.db2.gz YQJKPZSCWLKZIS-IBGZPJMESA-N 0 1 379.464 2.747 20 0 GFADMN c1ccc(-c2cncnc2N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826519315 608403491 /nfs/dbraw/zinc/40/34/91/608403491.db2.gz TYQZEVOMXBPERF-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000824954402 608452778 /nfs/dbraw/zinc/45/27/78/608452778.db2.gz JVTJNXYLTPANMQ-WFASDCNBSA-N 0 1 389.410 2.748 20 0 GFADMN CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccccc1OC ZINC000825143517 608456274 /nfs/dbraw/zinc/45/62/74/608456274.db2.gz VZGRDOPOKKZLFD-CQSZACIVSA-N 0 1 384.440 2.765 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599445 608459327 /nfs/dbraw/zinc/45/93/27/608459327.db2.gz OUEMGGKPPAZNRQ-GFCCVEGCSA-N 0 1 391.884 2.645 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824029096 608468642 /nfs/dbraw/zinc/46/86/42/608468642.db2.gz CTKQOHUTYQDTIT-CHWSQXEVSA-N 0 1 378.436 2.747 20 0 GFADMN CC[C@H](NCc1cc(-c2nn[nH]n2)ccc1OC)c1ccc2c(c1)OCCO2 ZINC000825139369 608470161 /nfs/dbraw/zinc/47/01/61/608470161.db2.gz FMFCINVILLMNLX-INIZCTEOSA-N 0 1 381.436 2.887 20 0 GFADMN C[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(Cl)c1 ZINC000824562253 608471211 /nfs/dbraw/zinc/47/12/11/608471211.db2.gz DHOZNNBEFTUHPO-NSHDSACASA-N 0 1 388.834 2.626 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000826183818 608475416 /nfs/dbraw/zinc/47/54/16/608475416.db2.gz AZFXSTXPDUGJDY-CQSZACIVSA-N 0 1 392.463 2.853 20 0 GFADMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCCC2=O)c1 ZINC000824617750 608475982 /nfs/dbraw/zinc/47/59/82/608475982.db2.gz JYZWZSIIVYGRDA-ZDUSSCGKSA-N 0 1 380.427 2.983 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029863 608493039 /nfs/dbraw/zinc/49/30/39/608493039.db2.gz RWUBRPXBMMGWTD-OLZOCXBDSA-N 0 1 378.436 2.747 20 0 GFADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824029864 608493062 /nfs/dbraw/zinc/49/30/62/608493062.db2.gz RWUBRPXBMMGWTD-QWHCGFSZSA-N 0 1 378.436 2.747 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826514823 608511774 /nfs/dbraw/zinc/51/17/74/608511774.db2.gz DTOCVJVOAIIGSK-CYBMUJFWSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826514823 608511776 /nfs/dbraw/zinc/51/17/76/608511776.db2.gz DTOCVJVOAIIGSK-CYBMUJFWSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826514823 608511778 /nfs/dbraw/zinc/51/17/78/608511778.db2.gz DTOCVJVOAIIGSK-CYBMUJFWSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000826514823 608511779 /nfs/dbraw/zinc/51/17/79/608511779.db2.gz DTOCVJVOAIIGSK-CYBMUJFWSA-N 0 1 384.513 2.626 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C2CC2)CC1 ZINC000824104397 608533459 /nfs/dbraw/zinc/53/34/59/608533459.db2.gz RKWXCASOLSDMDJ-UHFFFAOYSA-N 0 1 388.472 2.824 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CC2)CC1 ZINC000824104397 608533462 /nfs/dbraw/zinc/53/34/62/608533462.db2.gz RKWXCASOLSDMDJ-UHFFFAOYSA-N 0 1 388.472 2.824 20 0 GFADMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C2CC2)CC1 ZINC000824104397 608533463 /nfs/dbraw/zinc/53/34/63/608533463.db2.gz RKWXCASOLSDMDJ-UHFFFAOYSA-N 0 1 388.472 2.824 20 0 GFADMN c1coc(-c2nc(-c3nn[n-]n3)c(N3CC[NH+](C[C@@H]4CC=CCC4)CC3)o2)c1 ZINC000823867795 608547199 /nfs/dbraw/zinc/54/71/99/608547199.db2.gz IKZWGCHKANXGJY-CQSZACIVSA-N 0 1 381.440 2.593 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1)c1nnc[nH]1 ZINC000824505490 608548676 /nfs/dbraw/zinc/54/86/76/608548676.db2.gz FAEQYFFOGJBJBG-NSHDSACASA-N 0 1 391.395 2.660 20 0 GFADMN C[C@@H](NC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568579 608553120 /nfs/dbraw/zinc/55/31/20/608553120.db2.gz ASOCOGUIKVZJLY-DGCLKSJQSA-N 0 1 391.834 2.750 20 0 GFADMN COCCN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@@H](C)c1ccccc1 ZINC000826159456 608565159 /nfs/dbraw/zinc/56/51/59/608565159.db2.gz GRXGYTGIRHOAMR-HNNXBMFYSA-N 0 1 377.452 2.724 20 0 GFADMN COCCN(Cc1c[nH]nc1-c1cccs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158765 608567125 /nfs/dbraw/zinc/56/71/25/608567125.db2.gz BLZAKJOUXNULPV-UHFFFAOYSA-N 0 1 395.492 2.967 20 0 GFADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000825271949 608656595 /nfs/dbraw/zinc/65/65/95/608656595.db2.gz RXAZYLYZWAZXBP-CQSZACIVSA-N 0 1 376.530 2.837 20 0 GFADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000825271949 608656596 /nfs/dbraw/zinc/65/65/96/608656596.db2.gz RXAZYLYZWAZXBP-CQSZACIVSA-N 0 1 376.530 2.837 20 0 GFADMN CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000825271949 608656597 /nfs/dbraw/zinc/65/65/97/608656597.db2.gz RXAZYLYZWAZXBP-CQSZACIVSA-N 0 1 376.530 2.837 20 0 GFADMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000825271949 608656598 /nfs/dbraw/zinc/65/65/98/608656598.db2.gz RXAZYLYZWAZXBP-CQSZACIVSA-N 0 1 376.530 2.837 20 0 GFADMN C[C@H](CN1CCOCC1)N(Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1 ZINC000824420070 608676747 /nfs/dbraw/zinc/67/67/47/608676747.db2.gz FPXQKYFHYQPBCE-MRXNPFEDSA-N 0 1 398.536 2.651 20 0 GFADMN COc1cccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1OC ZINC000826216324 608680531 /nfs/dbraw/zinc/68/05/31/608680531.db2.gz SQKDLYWGRKMFSX-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN COc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1O ZINC000826194513 608681236 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377.452 2.660 20 0 GFADMN C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531893 609324048 /nfs/dbraw/zinc/32/40/48/609324048.db2.gz RFWXEVRNEWDBET-YWZLYKJASA-N 0 1 396.470 2.730 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)cc1Br)C[C@H]1CCCC[C@H]1O ZINC000825961552 609376275 /nfs/dbraw/zinc/37/62/75/609376275.db2.gz IAMTTWMNHXIKSJ-UKRRQHHQSA-N 0 1 380.290 2.612 20 0 GFADMN OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826509513 609386555 /nfs/dbraw/zinc/38/65/55/609386555.db2.gz XTQKLNFHKOBPEX-INIZCTEOSA-N 0 1 382.443 2.575 20 0 GFADMN OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000826509513 609386558 /nfs/dbraw/zinc/38/65/58/609386558.db2.gz XTQKLNFHKOBPEX-INIZCTEOSA-N 0 1 382.443 2.575 20 0 GFADMN C[C@H](N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccccc1F ZINC000824546403 609412416 /nfs/dbraw/zinc/41/24/16/609412416.db2.gz ISHIUXUGKOXGAG-SCLBCKFNSA-N 0 1 380.427 2.852 20 0 GFADMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824226253 609494222 /nfs/dbraw/zinc/49/42/22/609494222.db2.gz WTJGZXKXFKWWFS-AWEZNQCLSA-N 0 1 397.405 2.689 20 0 GFADMN C[C@@H]1C[C@H](C)N(CCCCS(C)(=O)=O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294585 660189289 /nfs/dbraw/zinc/18/92/89/660189289.db2.gz WWODMGKDQOETLW-OWCLPIDISA-N 0 1 376.563 2.682 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc(C)cc2)s1 ZINC000818945478 660236364 /nfs/dbraw/zinc/23/63/64/660236364.db2.gz HLOBZVUJIKRVSE-QGZVFWFLSA-N 0 1 382.551 2.910 20 0 GFADMN CN(C)S(=O)(=O)c1ccccc1CNC[C@@H](O)c1ccc(F)cc1Cl ZINC000818945673 660236377 /nfs/dbraw/zinc/23/63/77/660236377.db2.gz NUAPJLAFEWJWAU-MRXNPFEDSA-N 0 1 386.876 2.553 20 0 GFADMN O=C(CNC[C@@H](O)c1ccccc1Br)N1CCc2ccccc2C1 ZINC000819002369 660242868 /nfs/dbraw/zinc/24/28/68/660242868.db2.gz KIIVNKCHPDKVJO-GOSISDBHSA-N 0 1 389.293 2.657 20 0 GFADMN O=C1[C@@H](NC[C@@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046257 660244357 /nfs/dbraw/zinc/24/43/57/660244357.db2.gz OSPXQPIJBLVSQI-DLBZAZTESA-N 0 1 375.266 2.878 20 0 GFADMN O=C(Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCc2[nH]cnc2C1 ZINC000820103841 660281034 /nfs/dbraw/zinc/28/10/34/660281034.db2.gz GZPCNSUZYGLIED-SECBINFHSA-N 0 1 378.226 2.687 20 0 GFADMN CC(C)[C@@H](NC(=O)c1cnc(I)c(O)c1)c1ccccn1 ZINC000820130450 660282565 /nfs/dbraw/zinc/28/25/65/660282565.db2.gz YDFLMQIDDKHRBI-CYBMUJFWSA-N 0 1 397.216 2.914 20 0 GFADMN O=C(NC1(C(F)(F)F)CCC1)c1cnc(I)c(O)c1 ZINC000820379201 660291588 /nfs/dbraw/zinc/29/15/88/660291588.db2.gz NAMHVYSQJNQYOY-UHFFFAOYSA-N 0 1 386.111 2.607 20 0 GFADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000820785853 660305851 /nfs/dbraw/zinc/30/58/51/660305851.db2.gz LYISQFVQMTUOFH-SNVBAGLBSA-N 0 1 396.738 2.508 20 0 GFADMN Cc1cc(I)cc(C(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000821071672 660314660 /nfs/dbraw/zinc/31/46/60/660314660.db2.gz CPAFQUWGLJUEMK-UHFFFAOYSA-N 0 1 384.221 2.771 20 0 GFADMN Cn1cc(Br)c(CNC(=O)c2ccc(CN3CCCCC3)o2)n1 ZINC000821422258 660325617 /nfs/dbraw/zinc/32/56/17/660325617.db2.gz BPHYHIVHGCYTDV-UHFFFAOYSA-N 0 1 381.274 2.692 20 0 GFADMN Cc1ccc(C(C)(C)NC(=O)c2cnc(I)c(O)c2)cn1 ZINC000821931871 660336754 /nfs/dbraw/zinc/33/67/54/660336754.db2.gz KIUNILYPWMCQAQ-UHFFFAOYSA-N 0 1 397.216 2.760 20 0 GFADMN Ic1cnc2ccc(-c3noc([C@H]4CCCCN4)n3)cn12 ZINC000823116027 660362357 /nfs/dbraw/zinc/36/23/57/660362357.db2.gz PCZDIUZWLTUHTJ-SNVBAGLBSA-N 0 1 395.204 2.804 20 0 GFADMN C[C@H]1C[C@@H](CN(C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478022 660373297 /nfs/dbraw/zinc/37/32/97/660373297.db2.gz ZBDMVAJMMFQRPV-GJZGRUSLSA-N 0 1 376.563 2.777 20 0 GFADMN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCC(CS(C)(=O)=O)CC1 ZINC000824426902 660391708 /nfs/dbraw/zinc/39/17/08/660391708.db2.gz FQWWIVMJMWBOFS-MRXNPFEDSA-N 0 1 376.563 2.540 20 0 GFADMN Cc1n[nH]c(C(=O)N2CCC(Cc3n[nH]c(C(C)C)n3)CC2)c1Br ZINC000824161976 660386382 /nfs/dbraw/zinc/38/63/82/660386382.db2.gz XIBCYRKNKMZINC-UHFFFAOYSA-N 0 1 395.305 2.817 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ncc(C(F)(F)F)cc1Cl ZINC000824259873 660388448 /nfs/dbraw/zinc/38/84/48/660388448.db2.gz WNDMKLWIYVFXBX-VIFPVBQESA-N 0 1 375.738 2.653 20 0 GFADMN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc(Br)n[nH]1 ZINC000824755544 660401074 /nfs/dbraw/zinc/40/10/74/660401074.db2.gz ITYQITTULWHORW-UHFFFAOYSA-N 0 1 395.282 2.614 20 0 GFADMN Cc1cc(CNCCS(=O)(=O)C2CCOCC2)cc(C)c1OC(F)F ZINC000824896883 660404420 /nfs/dbraw/zinc/40/44/20/660404420.db2.gz GKJLRTZJNOJUNO-UHFFFAOYSA-N 0 1 377.453 2.588 20 0 GFADMN O=C([C@H]1CCc2[nH]cnc2C1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000825177915 660413613 /nfs/dbraw/zinc/41/36/13/660413613.db2.gz HBEKYFIBQOBNGF-SJCJKPOMSA-N 0 1 390.281 2.877 20 0 GFADMN CC(C)(CNC(=O)c1cnc(I)c(O)c1)C(C)(F)F ZINC000825806375 660442662 /nfs/dbraw/zinc/44/26/62/660442662.db2.gz NVVBAGJSCRMUAF-UHFFFAOYSA-N 0 1 384.164 2.803 20 0 GFADMN CC(C)(O)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000827795667 660515714 /nfs/dbraw/zinc/51/57/14/660515714.db2.gz XWVLTPKKUPIKGJ-UHFFFAOYSA-N 0 1 393.281 2.914 20 0 GFADMN O=C(c1cc2c(cc1Br)OCO2)N1CCc2nc[nH]c2C12CCC2 ZINC000829058105 660580202 /nfs/dbraw/zinc/58/02/02/660580202.db2.gz YLYMNBNZHOMYOY-UHFFFAOYSA-N 0 1 390.237 2.979 20 0 GFADMN O=C(c1cn2c(Br)cnc2s1)N1CCc2nc[nH]c2C12CCC2 ZINC000829066324 660580237 /nfs/dbraw/zinc/58/02/37/660580237.db2.gz RIKDYCHSFQELOY-UHFFFAOYSA-N 0 1 392.282 2.959 20 0 GFADMN Cc1ccc(CC(=O)N(C)CCN2CC3(C2)CCOCC3)c(Br)c1 ZINC000829228536 660585897 /nfs/dbraw/zinc/58/58/97/660585897.db2.gz QDKVIPPRWGCDPW-UHFFFAOYSA-N 0 1 395.341 2.871 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)Cc1cc(Br)ccc1F ZINC000829257780 660587090 /nfs/dbraw/zinc/58/70/90/660587090.db2.gz URZWDPUEVLAEPI-UHFFFAOYSA-N 0 1 399.304 2.702 20 0 GFADMN CN(C[C@]1(O)CCc2ccccc21)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365595 660590276 /nfs/dbraw/zinc/59/02/76/660590276.db2.gz IWSCJUSEKJLVRO-PKOBYXMFSA-N 0 1 389.293 2.741 20 0 GFADMN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(Br)[nH]n1 ZINC000829388520 660590826 /nfs/dbraw/zinc/59/08/26/660590826.db2.gz OTKHRGDPWPLNBP-YPMHNXCESA-N 0 1 384.274 2.756 20 0 GFADMN Cc1cc(Br)nc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1 ZINC000830155797 660638996 /nfs/dbraw/zinc/63/89/96/660638996.db2.gz KWLPZEJTVUEQNN-UHFFFAOYSA-N 0 1 382.283 2.946 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC(n2cccn2)CC1 ZINC000830231677 660643742 /nfs/dbraw/zinc/64/37/42/660643742.db2.gz PMGUWVWIKUYAOM-UHFFFAOYSA-N 0 1 375.372 2.633 20 0 GFADMN O=C1OCCN1C[C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000830130338 660637245 /nfs/dbraw/zinc/63/72/45/660637245.db2.gz UOIVZOVCIPNFAK-LLVKDONJSA-N 0 1 380.242 2.864 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@@H]1CCCC1(F)F)c1cc(F)ccc1F ZINC000830357821 660650267 /nfs/dbraw/zinc/65/02/67/660650267.db2.gz WZKGJIOOLHGZDQ-TVQRCGJNSA-N 0 1 383.363 2.534 20 0 GFADMN C[C@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1(Br)Br ZINC000830431436 660656336 /nfs/dbraw/zinc/65/63/36/660656336.db2.gz ZOYSJQRGCWZZOL-GZMMTYOYSA-N 0 1 377.080 2.799 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(Br)[nH]n1 ZINC000830570472 660664719 /nfs/dbraw/zinc/66/47/19/660664719.db2.gz KGPUXFRXNTYJLI-NEPJUHHUSA-N 0 1 399.289 2.786 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(Br)[nH]n1 ZINC000830570473 660664812 /nfs/dbraw/zinc/66/48/12/660664812.db2.gz KGPUXFRXNTYJLI-NWDGAFQWSA-N 0 1 399.289 2.786 20 0 GFADMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]nc2Cl)CCN1Cc1ccccc1 ZINC000830589869 660666208 /nfs/dbraw/zinc/66/62/08/660666208.db2.gz SBBBXBXVYDWZOT-ZFWWWQNUSA-N 0 1 382.917 2.737 20 0 GFADMN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)Cc2cscc2Br)C1 ZINC000830794841 660680272 /nfs/dbraw/zinc/68/02/72/660680272.db2.gz CUVXNPYDKASCOD-GFCCVEGCSA-N 0 1 399.232 2.723 20 0 GFADMN CCn1cc(Br)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000830827896 660682376 /nfs/dbraw/zinc/68/23/76/660682376.db2.gz OQBBMHJFGDNDKM-ZDUSSCGKSA-N 0 1 396.207 2.554 20 0 GFADMN CC(C)(C)n1nnc(CC(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC000831300990 660707796 /nfs/dbraw/zinc/70/77/96/660707796.db2.gz YUWKUCVMIRRRMO-UHFFFAOYSA-N 0 1 388.653 2.731 20 0 GFADMN CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)c2c[nH]nc2Cl)cc1 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779479533 656929588 /nfs/dbraw/zinc/92/95/88/656929588.db2.gz XKGHQFYKJRKGPO-OAGGEKHMSA-N 0 1 376.563 2.777 20 0 GFADMN NC(=O)NC1CCC(C(=O)OCc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000780520712 657010866 /nfs/dbraw/zinc/01/08/66/657010866.db2.gz JPRRGMZVKWAFBO-UHFFFAOYSA-N 0 1 395.257 2.596 20 0 GFADMN O=C(CCOC1CCOCC1)OCc1nc2ccc(Br)cc2[nH]1 ZINC000780533157 657012239 /nfs/dbraw/zinc/01/22/39/657012239.db2.gz WDVKITQTRBEJOX-UHFFFAOYSA-N 0 1 383.242 2.954 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)N2CCCCC2)cc1Cl ZINC000780715727 657025557 /nfs/dbraw/zinc/02/55/57/657025557.db2.gz NVFBVKQZNKEWFV-LLVKDONJSA-N 0 1 391.896 2.590 20 0 GFADMN O=C(OCCOCCNC(=O)C(F)(F)F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782646594 657169629 /nfs/dbraw/zinc/16/96/29/657169629.db2.gz PZBACLFUGLMUSM-ZJUUUORDSA-N 0 1 379.297 2.593 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(I)c2O)[C@H](C)[C@H](C)O1 ZINC000783810826 657262309 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ZINC000792958828 658335404 /nfs/dbraw/zinc/33/54/04/658335404.db2.gz LALBJJUGYDXEKN-CYBMUJFWSA-N 0 1 391.281 2.954 20 0 GFADMN CC(C)[C@@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)N(C)C ZINC000793373461 658391617 /nfs/dbraw/zinc/39/16/17/658391617.db2.gz WQBTWLFXVUHFFS-HNNXBMFYSA-N 0 1 381.274 2.659 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)Cc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000793874492 658453197 /nfs/dbraw/zinc/45/31/97/658453197.db2.gz LVWYODNEJPNIER-RYUDHWBXSA-N 0 1 389.721 2.559 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)ccc1Cl ZINC000794077636 658487585 /nfs/dbraw/zinc/48/75/85/658487585.db2.gz YIAUXHAWZQNGSI-UHFFFAOYSA-N 0 1 392.767 2.924 20 0 GFADMN O=C(NCCN1CC=CCC1)c1cnn(-c2ccccc2)c1Br ZINC000794122886 658489920 /nfs/dbraw/zinc/48/99/20/658489920.db2.gz LGMXGYJAJCBYTR-UHFFFAOYSA-N 0 1 375.270 2.627 20 0 GFADMN CSCCONC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000794192758 658499628 /nfs/dbraw/zinc/49/96/28/658499628.db2.gz CBLXGMDSPVZMRH-IINYFYTJSA-N 0 1 377.293 2.924 20 0 GFADMN COc1cc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cnc1Cl ZINC000795165084 658699002 /nfs/dbraw/zinc/69/90/02/658699002.db2.gz WRSUWMFLISBSFZ-BLLLJJGKSA-N 0 1 383.901 2.713 20 0 GFADMN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)cc1Br ZINC000795180565 658703954 /nfs/dbraw/zinc/70/39/54/658703954.db2.gz LPWSVCASFUAWOI-ZDUSSCGKSA-N 0 1 385.283 2.814 20 0 GFADMN CC(C)c1n[nH]c(COC(=O)CSc2nnc(-c3cccs3)n2C)n1 ZINC000795380471 658813244 /nfs/dbraw/zinc/81/32/44/658813244.db2.gz IKRWNHWGBPAFHP-UHFFFAOYSA-N 0 1 378.483 2.621 20 0 GFADMN CC(C)c1nc(COC(=O)CSc2nnc(-c3cccs3)n2C)n[nH]1 ZINC000795380471 658813252 /nfs/dbraw/zinc/81/32/52/658813252.db2.gz IKRWNHWGBPAFHP-UHFFFAOYSA-N 0 1 378.483 2.621 20 0 GFADMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2n[nH]c(C)n2)c1Cl ZINC000795399953 658814188 /nfs/dbraw/zinc/81/41/88/658814188.db2.gz APTNHBZKYUXCDN-UHFFFAOYSA-N 0 1 378.237 2.571 20 0 GFADMN Cc1nnc(CSc2ccc(Cl)c(C(=O)OCc3n[nH]c(C)n3)c2)[nH]1 ZINC000795459199 658822801 /nfs/dbraw/zinc/82/28/01/658822801.db2.gz 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659334184 /nfs/dbraw/zinc/33/41/84/659334184.db2.gz XQWMQPXZRPBBAE-UHFFFAOYSA-N 0 1 379.825 2.760 20 0 GFADMN Cc1nn(C)c(Br)c1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000800838285 659336158 /nfs/dbraw/zinc/33/61/58/659336158.db2.gz AUZLDVMZRPOXPJ-GFCCVEGCSA-N 0 1 391.313 2.668 20 0 GFADMN Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000801098465 659368050 /nfs/dbraw/zinc/36/80/50/659368050.db2.gz FDERZWAUWPOBPC-UKRRQHHQSA-N 0 1 377.286 2.666 20 0 GFADMN Cc1[nH]nc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1Br ZINC000801129628 659370128 /nfs/dbraw/zinc/37/01/28/659370128.db2.gz DTCCPAQDTPWECL-KRWDZBQOSA-N 0 1 378.270 2.647 20 0 GFADMN O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1c(Cl)ccc(F)c1F ZINC000805033834 659722840 /nfs/dbraw/zinc/72/28/40/659722840.db2.gz OXHFYIUFXNCYSB-UHFFFAOYSA-N 0 1 384.795 2.677 20 0 GFADMN CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000805075749 659734329 /nfs/dbraw/zinc/73/43/29/659734329.db2.gz DIIVHMMBQRKCGM-VIFPVBQESA-N 0 1 399.334 2.599 20 0 GFADMN CNC(=O)OC[C@@H]1CCCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000805827644 659808132 /nfs/dbraw/zinc/80/81/32/659808132.db2.gz LSQLENZAGOBIHI-KBPBESRZSA-N 0 1 391.295 2.944 20 0 GFADMN CC[N@@H+](Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)cc1)C(C)C ZINC000805930026 659811372 /nfs/dbraw/zinc/81/13/72/659811372.db2.gz XKHQCNNKBGUVEB-UHFFFAOYSA-N 0 1 381.523 2.801 20 0 GFADMN CCCCCC[N@@H+](C)CC(=O)[N-]S(=O)(=O)c1cc(Br)cs1 ZINC000806098924 659822125 /nfs/dbraw/zinc/82/21/25/659822125.db2.gz RHLMQBACFHNPLS-UHFFFAOYSA-N 0 1 397.360 2.828 20 0 GFADMN CN(CCN[C@@H]1CCc2nc(Cl)ccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000806163080 659826536 /nfs/dbraw/zinc/82/65/36/659826536.db2.gz AWCOORCZTPIIAE-OAHLLOKOSA-N 0 1 383.876 2.772 20 0 GFADMN O=S(=O)(c1ccccc1)N1CC[C@H](N[C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806182990 659827149 /nfs/dbraw/zinc/82/71/49/659827149.db2.gz IYLUGEMUJUXQJL-XJKSGUPXSA-N 0 1 377.897 2.775 20 0 GFADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@@H]1CCCC12OCCO2 ZINC000806384451 659831139 /nfs/dbraw/zinc/83/11/39/659831139.db2.gz VFXVOUSWEOAILX-NSHDSACASA-N 0 1 393.241 2.716 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cc(Br)ncc1Cl ZINC000806545854 659835594 /nfs/dbraw/zinc/83/55/94/659835594.db2.gz FRWUGQSCZGUBPS-GFCCVEGCSA-N 0 1 393.632 2.530 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C3(O)COC3)cc2)c1 ZINC000808119669 659878382 /nfs/dbraw/zinc/87/83/82/659878382.db2.gz DZKQDKAJWWWDDR-UHFFFAOYSA-N 0 1 398.278 2.776 20 0 GFADMN O=S(=O)(Cc1ccccc1)NCCNCc1cscc1C(F)(F)F ZINC000810134271 659963977 /nfs/dbraw/zinc/96/39/77/659963977.db2.gz RINMRZMXENJZTO-UHFFFAOYSA-N 0 1 378.441 2.976 20 0 GFADMN CC[C@](C)(CC(=O)OC)NCc1cn(-c2ccccc2Br)nn1 ZINC000810147776 659964771 /nfs/dbraw/zinc/96/47/71/659964771.db2.gz RRTGOWMCBFWDHA-MRXNPFEDSA-N 0 1 381.274 2.851 20 0 GFADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(Cl)ncc1Br ZINC000810149330 659965015 /nfs/dbraw/zinc/96/50/15/659965015.db2.gz GXQCGGMNMYYJJF-UHFFFAOYSA-N 0 1 379.605 2.930 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)ccc1Cl ZINC000811716534 660014687 /nfs/dbraw/zinc/01/46/87/660014687.db2.gz LKRASDUDWZQQIS-UHFFFAOYSA-N 0 1 381.797 2.509 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@](C)(O)CNCc1cc(F)ccc1Br ZINC000811813841 660015868 /nfs/dbraw/zinc/01/58/68/660015868.db2.gz IXSJVKGOGJHDMM-INIZCTEOSA-N 0 1 391.281 2.954 20 0 GFADMN COC(=O)Cc1cccc(S(=O)(=O)Nc2cnc(Br)cc2C)c1 ZINC000811824479 660016043 /nfs/dbraw/zinc/01/60/43/660016043.db2.gz ZCOKOXZOJPGDAN-UHFFFAOYSA-N 0 1 399.266 2.669 20 0 GFADMN CN(C)c1cc(NS(=O)(=O)/C=C/c2ccc(Br)cc2)ncn1 ZINC000811829072 660016159 /nfs/dbraw/zinc/01/61/59/660016159.db2.gz QRHVYCGAYJVASW-BQYQJAHWSA-N 0 1 383.271 2.718 20 0 GFADMN Cc1cnn([C@@H]2CCN(C(=O)c3cccc(I)c3O)C2)c1 ZINC000812380591 660025878 /nfs/dbraw/zinc/02/58/78/660025878.db2.gz NHIDJRARQBAQPH-LLVKDONJSA-N 0 1 397.216 2.589 20 0 GFADMN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC000813750798 660062811 /nfs/dbraw/zinc/06/28/11/660062811.db2.gz DCQNIAQAVNNCGE-LLVKDONJSA-N 0 1 388.946 2.544 20 0 GFADMN CC(C)(C)c1nnc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000814353834 660077667 /nfs/dbraw/zinc/07/76/67/660077667.db2.gz AJYPSENPLQPQDH-UHFFFAOYSA-N 0 1 385.873 2.663 20 0 GFADMN CC(C)(C)c1nc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000814353834 660077669 /nfs/dbraw/zinc/07/76/69/660077669.db2.gz AJYPSENPLQPQDH-UHFFFAOYSA-N 0 1 385.873 2.663 20 0 GFADMN CN(C)[C@@H](CNC(=O)[C@@H]1CSC(c2ccccc2O)=N1)c1ccsc1 ZINC000816857591 660170601 /nfs/dbraw/zinc/17/06/01/660170601.db2.gz LOXWVRUZVQUJTH-GJZGRUSLSA-N 0 1 375.519 2.735 20 0 GFADMN O=C(OCc1nnc(Cc2ccccc2Br)[nH]1)[C@@H]1CCC(=O)C1 ZINC000842753133 661352589 /nfs/dbraw/zinc/35/25/89/661352589.db2.gz BWXADHUYHMBHNY-LLVKDONJSA-N 0 1 378.226 2.570 20 0 GFADMN O=C(OCc1n[nH]c(Cc2ccccc2Br)n1)[C@@H]1CCC(=O)C1 ZINC000842753133 661352591 /nfs/dbraw/zinc/35/25/91/661352591.db2.gz BWXADHUYHMBHNY-LLVKDONJSA-N 0 1 378.226 2.570 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843604836 661387276 /nfs/dbraw/zinc/38/72/76/661387276.db2.gz BDZHJMNYEVTCAQ-UHFFFAOYSA-N 0 1 390.177 2.734 20 0 GFADMN CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000844650441 661431605 /nfs/dbraw/zinc/43/16/05/661431605.db2.gz ZNKQMAFDGIZLIM-CQSZACIVSA-N 0 1 376.862 2.772 20 0 GFADMN CC[C@H]1CN(C)CCN1CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844704613 661436143 /nfs/dbraw/zinc/43/61/43/661436143.db2.gz AEJFUSXWKDLFAL-KRWDZBQOSA-N 0 1 378.314 2.658 20 0 GFADMN CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1nc(Br)cs1 ZINC000846170829 661534863 /nfs/dbraw/zinc/53/48/63/661534863.db2.gz BSPOLYHVYWNGEV-UHFFFAOYSA-N 0 1 383.315 2.895 20 0 GFADMN O=C([O-])[C@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000846274772 661542205 /nfs/dbraw/zinc/54/22/05/661542205.db2.gz AKGPINPOMIVGGT-IAGOWNOFSA-N 0 1 376.250 2.994 20 0 GFADMN O=C(N1CCN(Cc2nnc[nH]2)CC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000846528280 661555158 /nfs/dbraw/zinc/55/51/58/661555158.db2.gz UQABFTRQTJFABA-UHFFFAOYSA-N 0 1 390.221 2.548 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000846592868 661558793 /nfs/dbraw/zinc/55/87/93/661558793.db2.gz NZHKUNIMUPFJTO-UHFFFAOYSA-N 0 1 391.446 2.599 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Nc1nc2c(s1)CCC2 ZINC000847107490 661576378 /nfs/dbraw/zinc/57/63/78/661576378.db2.gz AQLXZYMTOVYWFO-RKDXNWHRSA-N 0 1 376.404 2.695 20 0 GFADMN O=S(=O)(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc2nc(Cl)cnc2c1 ZINC000848508114 661658430 /nfs/dbraw/zinc/65/84/30/661658430.db2.gz HTQALEBAFILOJT-HOCLYGCPSA-N 0 1 380.901 2.578 20 0 GFADMN O=S(=O)(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(Cl)c2nonc21 ZINC000848509377 661658983 /nfs/dbraw/zinc/65/89/83/661658983.db2.gz JGILNVALZLHCKX-OIBJUYFYSA-N 0 1 399.778 2.655 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c(C)s1 ZINC000848511004 661659834 /nfs/dbraw/zinc/65/98/34/661659834.db2.gz VHURVFHEMLONQV-MWLCHTKSSA-N 0 1 384.445 2.585 20 0 GFADMN CC(C)(C)OC(=O)[C@]1(NS(=O)(=O)/C=C/c2ccccc2Cl)CCOC1 ZINC000849447760 661726951 /nfs/dbraw/zinc/72/69/51/661726951.db2.gz VGXDLTDUKVBLOA-YRYLYKBFSA-N 0 1 387.885 2.731 20 0 GFADMN CN(CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000849454689 661728485 /nfs/dbraw/zinc/72/84/85/661728485.db2.gz MSAYHORFTBZRJX-MRXNPFEDSA-N 0 1 379.913 2.673 20 0 GFADMN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Oc2cccc(Br)c2)cn1 ZINC000849485999 661733466 /nfs/dbraw/zinc/73/34/66/661733466.db2.gz DJQILMKAYGEBKS-HOTGVXAUSA-N 0 1 378.270 2.824 20 0 GFADMN C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1cccc(NS(C)(=O)=O)c1 ZINC000850093441 661764853 /nfs/dbraw/zinc/76/48/53/661764853.db2.gz DECVYKPGBCHBJZ-SNVBAGLBSA-N 0 1 376.404 2.661 20 0 GFADMN COc1cncc(CN[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000850280943 661768525 /nfs/dbraw/zinc/76/85/25/661768525.db2.gz MRTDCQCGVQHKBT-MRXNPFEDSA-N 0 1 376.254 2.748 20 0 GFADMN Cc1nnsc1CN1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000852604321 661867729 /nfs/dbraw/zinc/86/77/29/661867729.db2.gz PPQJAJHXZUEISQ-ZDUSSCGKSA-N 0 1 376.448 2.859 20 0 GFADMN CC(C)(C)OC(=O)NC[C@](C)(O)CN[C@H](CO)c1cccc(Cl)c1Cl ZINC000852678382 661870988 /nfs/dbraw/zinc/87/09/88/661870988.db2.gz CQVZHEJMELVGRH-CXAGYDPISA-N 0 1 393.311 2.892 20 0 GFADMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844940 661875709 /nfs/dbraw/zinc/87/57/09/661875709.db2.gz OMXDGDSHXAPLQA-QLJPJBMISA-N 0 1 383.905 2.668 20 0 GFADMN CN(C)C[C@@H](OC(=O)Cc1cn(C)nc1Cl)c1cc(F)c(F)c(F)c1 ZINC000853213151 661885160 /nfs/dbraw/zinc/88/51/60/661885160.db2.gz IIARYYOZVZDZQC-CYBMUJFWSA-N 0 1 375.778 2.879 20 0 GFADMN C[C@@H](OC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1nnc[nH]1 ZINC000853218732 661885362 /nfs/dbraw/zinc/88/53/62/661885362.db2.gz MYVBJIGVMHCCAH-SECBINFHSA-N 0 1 376.467 2.856 20 0 GFADMN O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cn2cc[nH]c2=S)C1)C(F)(F)F ZINC000853547602 661891922 /nfs/dbraw/zinc/89/19/22/661891922.db2.gz VMUNFRQMQBXGEE-OLZOCXBDSA-N 0 1 376.448 2.785 20 0 GFADMN FC(F)(F)c1cc(Cl)c(N2CCN(Cc3nnc[nH]3)CC2)nc1Cl ZINC000853716435 661898350 /nfs/dbraw/zinc/89/83/50/661898350.db2.gz XUSYLBXKQKQZBW-UHFFFAOYSA-N 0 1 381.189 2.848 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000854344474 661926068 /nfs/dbraw/zinc/92/60/68/661926068.db2.gz BBJINAXRFJPSPS-NSHDSACASA-N 0 1 393.266 2.996 20 0 GFADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(Br)[nH]n2)c1 ZINC000854477626 661936111 /nfs/dbraw/zinc/93/61/11/661936111.db2.gz LTSSDJJUQCYUIO-UHFFFAOYSA-N 0 1 394.273 2.705 20 0 GFADMN O=C(NC[C@@H]1CCCN1CCCO)C(F)(F)c1ccc(Br)cc1 ZINC000854689983 661947840 /nfs/dbraw/zinc/94/78/40/661947840.db2.gz NEZSYRZSBFEGGP-AWEZNQCLSA-N 0 1 391.256 2.504 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CCCN(c2cccc(F)c2F)CC1 ZINC000854737647 661952461 /nfs/dbraw/zinc/95/24/61/661952461.db2.gz FVKKAIZKOWLMJH-UHFFFAOYSA-N 0 1 385.212 2.803 20 0 GFADMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)[nH]n2)CC1(C)C ZINC000854895471 661959709 /nfs/dbraw/zinc/95/97/09/661959709.db2.gz VHEBEQJGDOIAJS-UHFFFAOYSA-N 0 1 387.278 2.644 20 0 GFADMN C[C@]1(C(=O)NCc2ccc3cncn3c2)CC1(Br)Br ZINC000854909013 661960652 /nfs/dbraw/zinc/96/06/52/661960652.db2.gz LYJIAEBIWXKXDC-GFCCVEGCSA-N 0 1 387.075 2.847 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855047038 661967389 /nfs/dbraw/zinc/96/73/89/661967389.db2.gz WKTPYMNBKVVIHU-SECBINFHSA-N 0 1 381.223 2.541 20 0 GFADMN COC(=O)N(C)CCN(C)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000855887749 662011517 /nfs/dbraw/zinc/01/15/17/662011517.db2.gz FKUPOVVBBKSXRQ-UHFFFAOYSA-N 0 1 395.257 2.609 20 0 GFADMN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NOCCN1CCCC1=O ZINC000856036760 662017408 /nfs/dbraw/zinc/01/74/08/662017408.db2.gz LTWJJSHLXIJUQF-UHFFFAOYSA-N 0 1 379.869 2.676 20 0 GFADMN O=C(Cc1csc(-c2ccccc2Cl)n1)NOCCN1CCCC1=O ZINC000856036551 662017462 /nfs/dbraw/zinc/01/74/62/662017462.db2.gz BJEWBOBNFBDGEH-UHFFFAOYSA-N 0 1 379.869 2.676 20 0 GFADMN C[C@@H]1CCN(C(=O)C[C@]2(C)CC2(Cl)Cl)C[C@@H]1NC(=O)C(F)(F)F ZINC000856415097 662032670 /nfs/dbraw/zinc/03/26/70/662032670.db2.gz IBIWMAHNEJAHST-VDDIYKPWSA-N 0 1 375.218 2.876 20 0 GFADMN CCN(C)Cc1cc(O[C@@H]2CCN(CC(F)(F)Br)C2)ccn1 ZINC000856583580 662037195 /nfs/dbraw/zinc/03/71/95/662037195.db2.gz KOCWFYWDNJKUBM-CQSZACIVSA-N 0 1 378.261 2.974 20 0 GFADMN COCO[C@H](C)c1cc(F)c(CNCCn2cncn2)cc1Br ZINC000858112459 662099279 /nfs/dbraw/zinc/09/92/79/662099279.db2.gz NFVCMWYFBSBXIO-LLVKDONJSA-N 0 1 387.253 2.651 20 0 GFADMN C[C@H]1CCCCN1CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC000858499672 662113660 /nfs/dbraw/zinc/11/36/60/662113660.db2.gz LTAABXSGEDKQDB-LBPRGKRZSA-N 0 1 393.285 2.514 20 0 GFADMN CN1CCN(c2ccc(-c3noc([C@H]4C[C@]4(C)Br)n3)nc2)CC1 ZINC000858799207 662123759 /nfs/dbraw/zinc/12/37/59/662123759.db2.gz CPSYVBLANVIYSD-WBMJQRKESA-N 0 1 378.274 2.524 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1ccc(Br)nc1F)c1ccc(C)o1 ZINC000859048122 662133866 /nfs/dbraw/zinc/13/38/66/662133866.db2.gz YUJZXDIHBUAFOM-SECBINFHSA-N 0 1 393.234 2.551 20 0 GFADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@]3(C)Br)n2)cc1OC ZINC000859433723 662162527 /nfs/dbraw/zinc/16/25/27/662162527.db2.gz DPXKRBCEATYLOS-VFZGTOFNSA-N 0 1 381.230 2.601 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000860789426 662215929 /nfs/dbraw/zinc/21/59/29/662215929.db2.gz CTDWVBPKMJVTDL-UHFFFAOYSA-N 0 1 397.317 2.953 20 0 GFADMN CC(C)n1ncc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1Cl ZINC000861771368 662258092 /nfs/dbraw/zinc/25/80/92/662258092.db2.gz GNHVZSHRSJAVOE-JTQLQIEISA-N 0 1 380.798 2.648 20 0 GFADMN COc1cc2[nH]cc(C(=O)NC[C@]3(C)CC3(Cl)Cl)c(=O)c2c(OC)c1 ZINC000861893427 662262634 /nfs/dbraw/zinc/26/26/34/662262634.db2.gz ATHXBIWKCDUWMM-INIZCTEOSA-N 0 1 385.247 2.859 20 0 GFADMN O=C(NCc1ccc(C(=O)N2CCSC[C@@H]2C2CCC2)o1)C(F)(F)F ZINC000862012539 662266372 /nfs/dbraw/zinc/26/63/72/662266372.db2.gz OQFWVTMMDUYLPM-GFCCVEGCSA-N 0 1 376.400 2.816 20 0 GFADMN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(N2CCOCC2)CC1 ZINC000862217048 662274168 /nfs/dbraw/zinc/27/41/68/662274168.db2.gz TYEIDUWFWQHVIS-QGZVFWFLSA-N 0 1 387.307 2.740 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN1C[C@@H]2COC(=O)[C@@H]2C1 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GFADMN Cc1ccc([C@@H](CNCc2cccnc2Br)N2CCOCC2)o1 ZINC000865404082 662418962 /nfs/dbraw/zinc/41/89/62/662418962.db2.gz AOLXRNXGMQLJFF-OAHLLOKOSA-N 0 1 380.286 2.909 20 0 GFADMN COc1cc(OC)cc([C@H](O)CNCc2cc(Br)cnc2OC)c1 ZINC000865468355 662423324 /nfs/dbraw/zinc/42/33/24/662423324.db2.gz GRYMGZCXDODDHN-MRXNPFEDSA-N 0 1 397.269 2.693 20 0 GFADMN CC(C)(C)c1csc(CNCCOc2ccc(NS(C)(=O)=O)cc2)n1 ZINC000865520256 662426425 /nfs/dbraw/zinc/42/64/25/662426425.db2.gz ZEAVVUZXZUOZRD-UHFFFAOYSA-N 0 1 383.539 2.981 20 0 GFADMN CCCn1cc(CNCCc2cn3cc(Br)cc(C)c3n2)nn1 ZINC000865528457 662426856 /nfs/dbraw/zinc/42/68/56/662426856.db2.gz ZKSUZQMUQVNLQG-UHFFFAOYSA-N 0 1 377.290 2.739 20 0 GFADMN CC(C)(C)OC(=O)N1CCOC[C@@H]1CNCc1cccnc1Br ZINC000865643605 662433854 /nfs/dbraw/zinc/43/38/54/662433854.db2.gz OZFMCFYNHIDSNK-ZDUSSCGKSA-N 0 1 386.290 2.570 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)c2ccc3ccc(Br)cc3c2)C1 ZINC000865706279 662437631 /nfs/dbraw/zinc/43/76/31/662437631.db2.gz RGHNFZIQSPWWSL-KRWDZBQOSA-N 0 1 376.298 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CCc1[nH]nc(C(=O)N2CCC(C(=O)C(F)(F)F)CC2)c1Br ZINC000279807863 563310710 /nfs/dbraw/zinc/31/07/10/563310710.db2.gz TZAXEEQEZPWSIF-UHFFFAOYSA-N 0 1 382.180 2.718 20 0 GFADMN CCc1cc(C(=O)N(C)[C@H](CO)c2cc(OC)ccc2Br)n[nH]1 ZINC000297011047 563312386 /nfs/dbraw/zinc/31/23/86/563312386.db2.gz SHGOCYVPSCHNFI-OAHLLOKOSA-N 0 1 382.258 2.549 20 0 GFADMN Cc1cc(Br)oc1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000372625977 563312469 /nfs/dbraw/zinc/31/24/69/563312469.db2.gz PXVLUYRRDMKUCO-CQSZACIVSA-N 0 1 384.318 2.593 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)n[nH]1 ZINC000372752816 563315967 /nfs/dbraw/zinc/31/59/67/563315967.db2.gz VEHSVDBRPWZUPC-GWCFXTLKSA-N 0 1 380.901 2.785 20 0 GFADMN C[C@@H]1CC[S@@](=O)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000372875005 563320775 /nfs/dbraw/zinc/32/07/75/563320775.db2.gz DZRROYIMDLLYKR-QVQLBTGDSA-N 0 1 396.310 2.822 20 0 GFADMN COc1cc(Cl)ccc1[C@@H](C)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000421832882 563322729 /nfs/dbraw/zinc/32/27/29/563322729.db2.gz 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GFADMN Cc1nc([C@@H]2CCCCN2C(=O)Nc2nnc(-c3ccsc3)s2)n[nH]1 ZINC000374623750 563377947 /nfs/dbraw/zinc/37/79/47/563377947.db2.gz DYWJIRLYXUFZHQ-NSHDSACASA-N 0 1 375.483 3.452 20 0 GFADMN Cc1ocnc1C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000299331079 563381969 /nfs/dbraw/zinc/38/19/69/563381969.db2.gz AKOZCIUECNNHGH-UHFFFAOYSA-N 0 1 379.258 2.750 20 0 GFADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC=C(Br)C1 ZINC000281842648 563388562 /nfs/dbraw/zinc/38/85/62/563388562.db2.gz MYJIQSULUXGVLN-UHFFFAOYSA-N 0 1 379.302 2.740 20 0 GFADMN COc1ncc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cc1Br ZINC000424734635 563389185 /nfs/dbraw/zinc/38/91/85/563389185.db2.gz JZRFHRVEFBGLRK-GFCCVEGCSA-N 0 1 380.246 2.647 20 0 GFADMN CCOc1cccc(S(=O)(=O)Nc2cc(C)ccc2NS(C)(=O)=O)c1 ZINC000282116099 563398296 /nfs/dbraw/zinc/39/82/96/563398296.db2.gz KDADNGQQBIVGDN-UHFFFAOYSA-N 0 1 384.479 2.566 20 0 GFADMN CS(=O)(=O)[C@H]1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000282167191 563400196 /nfs/dbraw/zinc/40/01/96/563400196.db2.gz 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O[C@@H]1CCOC[C@H]1[C@H]1CCCN1Cc1cc2c(c(Br)c1)OCO2 ZINC000328693443 563463382 /nfs/dbraw/zinc/46/33/82/563463382.db2.gz COIMXTYXTOUGHB-NWANDNLSSA-N 0 1 384.270 2.540 20 0 GFADMN O=C1[C@H](NS(=O)(=O)c2c(F)cccc2F)CCN1c1cccc(Cl)c1 ZINC000427260525 563463979 /nfs/dbraw/zinc/46/39/79/563463979.db2.gz NQTMJLAEMLCVJL-CQSZACIVSA-N 0 1 386.807 2.702 20 0 GFADMN CN1CCC[C@]2(CCN(S(=O)(=O)c3csc(-c4ccccc4)n3)C2)C1 ZINC000328856955 563467022 /nfs/dbraw/zinc/46/70/22/563467022.db2.gz UKLANJCBTQTSAW-SFHVURJKSA-N 0 1 377.535 2.917 20 0 GFADMN O=C(CNC(=O)c1cccc(O)c1)Nc1cc(Br)cc(Cl)c1O ZINC000427544557 563469659 /nfs/dbraw/zinc/46/96/59/563469659.db2.gz BYLINRADXPRORN-UHFFFAOYSA-N 0 1 399.628 2.882 20 0 GFADMN Cc1noc([C@H]2CCN(C(=O)c3[nH]nc4ccc(Br)cc43)C2)n1 ZINC000329111401 563472899 /nfs/dbraw/zinc/47/28/99/563472899.db2.gz GROGXWLDKSXPEG-VIFPVBQESA-N 0 1 376.214 2.647 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cnc1C ZINC000427773351 563474714 /nfs/dbraw/zinc/47/47/14/563474714.db2.gz 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QIVSEFMVTJXVMU-OLZOCXBDSA-N 0 1 388.917 2.510 20 0 GFADMN COC[C@@](C)(O)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000637181633 565143253 /nfs/dbraw/zinc/14/32/53/565143253.db2.gz IFXVFWYWLJNNJH-WBVHZDCISA-N 0 1 392.327 2.683 20 0 GFADMN CN(C)C[C@H](NC(=O)NCc1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000637178428 565143691 /nfs/dbraw/zinc/14/36/91/565143691.db2.gz KCOWYMNAAABWRH-AWEZNQCLSA-N 0 1 384.267 2.591 20 0 GFADMN C[C@H]1COCCN1C1CCN(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000615089274 565145128 /nfs/dbraw/zinc/14/51/28/565145128.db2.gz IRCXHFONTWUNJZ-ZDUSSCGKSA-N 0 1 399.304 2.842 20 0 GFADMN Cc1c(Br)cccc1NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000588945157 565145556 /nfs/dbraw/zinc/14/55/56/565145556.db2.gz FGICDQJTXIDOTH-UHFFFAOYSA-N 0 1 383.334 2.905 20 0 GFADMN COCc1nc(CNC(=O)NCC/C=C/c2ccc(Br)cc2)n[nH]1 ZINC000637267863 565147525 /nfs/dbraw/zinc/14/75/25/565147525.db2.gz KRYAQEZZTLLABU-DUXPYHPUSA-N 0 1 394.273 2.616 20 0 GFADMN COCc1nnc(CNC(=O)NCC/C=C/c2ccc(Br)cc2)[nH]1 ZINC000637267863 565147528 /nfs/dbraw/zinc/14/75/28/565147528.db2.gz KRYAQEZZTLLABU-DUXPYHPUSA-N 0 1 394.273 2.616 20 0 GFADMN OCCO[C@@]1(CN[C@H](c2ccco2)c2ccc(Br)cc2)CCOC1 ZINC000658143920 565153661 /nfs/dbraw/zinc/15/36/61/565153661.db2.gz JOMOAVPHDVKSRY-ZWKOTPCHSA-N 0 1 396.281 2.889 20 0 GFADMN CCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)NC[C@@H]1C ZINC000658373242 565162898 /nfs/dbraw/zinc/16/28/98/565162898.db2.gz DEJCVMOCUXBKFL-RYUDHWBXSA-N 0 1 391.331 2.609 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1c(Cl)cccc1Br ZINC000615660277 565168513 /nfs/dbraw/zinc/16/85/13/565168513.db2.gz SPIBNXMAWFJIHG-LLVKDONJSA-N 0 1 375.694 2.679 20 0 GFADMN CC(C)(Oc1ccc(Br)cc1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000615656914 565169444 /nfs/dbraw/zinc/16/94/44/565169444.db2.gz JMARHVROWDWBFS-HNNXBMFYSA-N 0 1 399.329 2.570 20 0 GFADMN COc1cccc(C[C@@H](N)C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000637970836 565178809 /nfs/dbraw/zinc/17/88/09/565178809.db2.gz WATFAIOPFNORED-GOSISDBHSA-N 0 1 389.293 2.912 20 0 GFADMN NCc1ncc(C(=O)NCC2(c3ccc(Br)cc3)CCCC2)cn1 ZINC000638011773 565181620 /nfs/dbraw/zinc/18/16/20/565181620.db2.gz YXMXGKNTHWLYHO-UHFFFAOYSA-N 0 1 389.297 2.940 20 0 GFADMN Cc1cc(CN)oc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000638054576 565182750 /nfs/dbraw/zinc/18/27/50/565182750.db2.gz XPEXASVNIVEJNT-UHFFFAOYSA-N 0 1 398.326 2.829 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000590694884 565197184 /nfs/dbraw/zinc/19/71/84/565197184.db2.gz JUASVZZYIIHKAP-UHFFFAOYSA-N 0 1 377.846 2.992 20 0 GFADMN Cc1cc(Br)cc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c1C ZINC000616695170 565206348 /nfs/dbraw/zinc/20/63/48/565206348.db2.gz ZEXBSLHVGMBFIO-ZDUSSCGKSA-N 0 1 379.258 2.966 20 0 GFADMN O=C(NCCc1cc(Cl)cc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000590863808 565207660 /nfs/dbraw/zinc/20/76/60/565207660.db2.gz XZJZMRCGNOLGRD-DLBZAZTESA-N 0 1 386.323 2.777 20 0 GFADMN CC(C)(N)c1nocc1C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000638832045 565213982 /nfs/dbraw/zinc/21/39/82/565213982.db2.gz OVNTXWZNLHLOLW-DDTOSNHZSA-N 0 1 376.254 2.699 20 0 GFADMN COc1cc(Br)ccc1[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1 ZINC000639093799 565225256 /nfs/dbraw/zinc/22/52/56/565225256.db2.gz AQPSEOVCHKFESF-LLVKDONJSA-N 0 1 399.310 2.956 20 0 GFADMN CCn1ncnc1CN[C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639125111 565227763 /nfs/dbraw/zinc/22/77/63/565227763.db2.gz OXRSLIHSUKGCPG-JKSUJKDBSA-N 0 1 378.318 2.986 20 0 GFADMN CS(=O)(=O)C1(CNCc2c(C(F)(F)F)nc3n2CCCC3)CCCC1 ZINC000639164081 565230522 /nfs/dbraw/zinc/23/05/22/565230522.db2.gz NAZCUWVQXVVBKJ-UHFFFAOYSA-N 0 1 379.448 2.685 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000639246844 565234623 /nfs/dbraw/zinc/23/46/23/565234623.db2.gz MKJMHEOIBONMGO-KRWDZBQOSA-N 0 1 380.535 2.779 20 0 GFADMN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CN(C)C)c(Br)c1 ZINC000660009386 565237264 /nfs/dbraw/zinc/23/72/64/565237264.db2.gz RFZFJAXUTNJFDF-LBPRGKRZSA-N 0 1 391.331 2.563 20 0 GFADMN COc1nsc(CNC[C@]2(CO)CCc3ccccc32)c1Br ZINC000639287483 565237451 /nfs/dbraw/zinc/23/74/51/565237451.db2.gz CXGASPURWDIMNJ-INIZCTEOSA-N 0 1 383.311 2.880 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000639285658 565237526 /nfs/dbraw/zinc/23/75/26/565237526.db2.gz IEIOVDWNJLCZCJ-KRWDZBQOSA-N 0 1 378.519 2.555 20 0 GFADMN CCn1cc(CN[C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308968 565238809 /nfs/dbraw/zinc/23/88/09/565238809.db2.gz IGHAGIMSBXCDTM-WBVHZDCISA-N 0 1 378.318 2.986 20 0 GFADMN CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000617531677 565243924 /nfs/dbraw/zinc/24/39/24/565243924.db2.gz CIHRIFRRTGVLPA-JVLSTEMRSA-N 0 1 396.285 2.621 20 0 GFADMN C[C@@H](NC[C@H]1CCc2ncnn21)c1cc2c(cc1Br)OCCO2 ZINC000639562140 565251154 /nfs/dbraw/zinc/25/11/54/565251154.db2.gz SGNLXDDADBUQEP-GHMZBOCLSA-N 0 1 379.258 2.650 20 0 GFADMN Brc1ccc2nc(CN3CCC[C@H](n4ccnn4)CC3)cn2c1 ZINC000639816382 565263064 /nfs/dbraw/zinc/26/30/64/565263064.db2.gz JJYHRXRPJHMWCI-HNNXBMFYSA-N 0 1 375.274 2.916 20 0 GFADMN COc1ncc(NC(=O)c2ccc(CN(C)C)nc2)c(C)c1Br ZINC000617893585 565265514 /nfs/dbraw/zinc/26/55/14/565265514.db2.gz CSLNRDOOMSRPCY-UHFFFAOYSA-N 0 1 379.258 2.870 20 0 GFADMN CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCS1(=O)=O ZINC000618174362 565276246 /nfs/dbraw/zinc/27/62/46/565276246.db2.gz YCNHRQFVQYOKRL-QGZVFWFLSA-N 0 1 386.945 2.588 20 0 GFADMN O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000618181221 565278343 /nfs/dbraw/zinc/27/83/43/565278343.db2.gz BGRPKJGLQYQXRI-CYBMUJFWSA-N 0 1 389.297 2.626 20 0 GFADMN CN1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1(C)C ZINC000640109571 565278449 /nfs/dbraw/zinc/27/84/49/565278449.db2.gz ZMCIPDDRHLQCJV-UHFFFAOYSA-N 0 1 393.289 2.588 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN[C@@H]1CCCn2nccc21 ZINC000640220461 565288770 /nfs/dbraw/zinc/28/87/70/565288770.db2.gz ZTFRULBXXSFKMQ-CYBMUJFWSA-N 0 1 383.315 2.790 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618361257 565292671 /nfs/dbraw/zinc/29/26/71/565292671.db2.gz IQYGSJJVOBUWEK-BLLLJJGKSA-N 0 1 399.354 2.822 20 0 GFADMN CC[N@H+]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000660796778 565293914 /nfs/dbraw/zinc/29/39/14/565293914.db2.gz VOAATOVUEWFROG-HNNXBMFYSA-N 0 1 382.346 2.824 20 0 GFADMN O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810170 565294199 /nfs/dbraw/zinc/29/41/99/565294199.db2.gz ZTALGPDPVAPBOM-DMDPSCGWSA-N 0 1 378.270 2.601 20 0 GFADMN O=C(CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1c[nH]c2ncc(Br)cc12 ZINC000660810170 565294204 /nfs/dbraw/zinc/29/42/04/565294204.db2.gz ZTALGPDPVAPBOM-DMDPSCGWSA-N 0 1 378.270 2.601 20 0 GFADMN Cc1cc(Br)cn2cc(CCNC(=O)N(C)Cc3cnc[nH]3)nc12 ZINC000661016449 565302381 /nfs/dbraw/zinc/30/23/81/565302381.db2.gz LDRCYXLPIMHAED-UHFFFAOYSA-N 0 1 391.273 2.512 20 0 GFADMN CO[C@]1(CO)CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000661394004 565322217 /nfs/dbraw/zinc/32/22/17/565322217.db2.gz ZMZDVKIILTWFAQ-GOSISDBHSA-N 0 1 392.297 2.879 20 0 GFADMN C[C@@H]1CCCN(CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H]1CCO ZINC000661500792 565326219 /nfs/dbraw/zinc/32/62/19/565326219.db2.gz UPRKDMVRVVDSHF-ABAIWWIYSA-N 0 1 380.286 2.991 20 0 GFADMN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000640801146 565329292 /nfs/dbraw/zinc/32/92/92/565329292.db2.gz ARIWBNOEQKUQLG-TURNYIBQSA-N 0 1 384.267 2.963 20 0 GFADMN O=C1[C@@H](N2CCC[C@](O)(C3CC3)C2)CCN1c1cccc(Br)c1 ZINC000661632108 565331604 /nfs/dbraw/zinc/33/16/04/565331604.db2.gz NLJFSOZYKQMLCT-FUHWJXTLSA-N 0 1 379.298 2.791 20 0 GFADMN CCN(CC)C(=O)[C@@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640919299 565337263 /nfs/dbraw/zinc/33/72/63/565337263.db2.gz CQSLJRVIAIYKHT-IAQYHMDHSA-N 0 1 380.290 2.518 20 0 GFADMN C[C@H](c1nc(C2CC2)no1)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640936725 565338500 /nfs/dbraw/zinc/33/85/00/565338500.db2.gz FXUYSUXWSYHILB-YMTOWFKASA-N 0 1 389.257 2.958 20 0 GFADMN CCCCc1nc(Cn2cc([C@H](N)c3ccc(Br)cc3)nn2)no1 ZINC000640993545 565341358 /nfs/dbraw/zinc/34/13/58/565341358.db2.gz AJHZUNZPTFSPBM-MRXNPFEDSA-N 0 1 391.273 2.863 20 0 GFADMN Cc1cc(CNC(=O)c2ccc3cc(I)ccc3n2)n[nH]1 ZINC000619482682 565343742 /nfs/dbraw/zinc/34/37/42/565343742.db2.gz LOOQZTGGNJWDIK-UHFFFAOYSA-N 0 1 392.200 2.801 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)c2ccc(OC)cc2Br)CC1 ZINC000662013496 565344872 /nfs/dbraw/zinc/34/48/72/565344872.db2.gz QUEWYXAMHMSNAB-UHFFFAOYSA-N 0 1 398.345 2.604 20 0 GFADMN CN[C@H](C)c1cn([C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)nn1 ZINC000641118237 565346776 /nfs/dbraw/zinc/34/67/76/565346776.db2.gz VPYRXXUASLPDAQ-WBMJQRKESA-N 0 1 392.301 2.998 20 0 GFADMN CNCc1cn(Cc2cccc(OCC(F)(F)F)c2Br)nn1 ZINC000641117670 565347407 /nfs/dbraw/zinc/34/74/07/565347407.db2.gz ZCIZWLORHOYNPB-UHFFFAOYSA-N 0 1 379.180 2.749 20 0 GFADMN O[C@H]1CCCC[C@H]1c1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000641162440 565350550 /nfs/dbraw/zinc/35/05/50/565350550.db2.gz MXNQUJDFNCXOGT-NHYWBVRUSA-N 0 1 376.258 2.984 20 0 GFADMN CC(C)(N)c1noc(CN2CCOC[C@@H]2c2cccc(Br)c2)n1 ZINC000662310610 565360405 /nfs/dbraw/zinc/36/04/05/565360405.db2.gz LMHWAVSDQRDBKI-CYBMUJFWSA-N 0 1 381.274 2.599 20 0 GFADMN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662468397 565370327 /nfs/dbraw/zinc/37/03/27/565370327.db2.gz NLAHWCHXWSHYSY-UHFFFAOYSA-N 0 1 379.507 2.798 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)[C@H](OC)c2ccccc2Br)n1 ZINC000594020026 565371509 /nfs/dbraw/zinc/37/15/09/565371509.db2.gz XMPJKZPHKLEAKT-GFCCVEGCSA-N 0 1 382.214 2.675 20 0 GFADMN C[C@@H]1CCCN1S(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000641643493 565390213 /nfs/dbraw/zinc/39/02/13/565390213.db2.gz IAFKQWQPXNLRJL-SNVBAGLBSA-N 0 1 376.404 2.743 20 0 GFADMN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000641665736 565391452 /nfs/dbraw/zinc/39/14/52/565391452.db2.gz XQPOCFKMNUYGSW-CQSZACIVSA-N 0 1 386.323 2.520 20 0 GFADMN O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000641663957 565391963 /nfs/dbraw/zinc/39/19/63/565391963.db2.gz GBKZTDLRRSTUDE-OAHLLOKOSA-N 0 1 386.323 2.520 20 0 GFADMN Cc1c(Br)ccc(NS(=O)(=O)c2cnn3c2OCCC3)c1F ZINC000641685168 565393976 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565435425 /nfs/dbraw/zinc/43/54/25/565435425.db2.gz DHROVQFJLXWBKX-UHFFFAOYSA-N 0 1 383.233 2.603 20 0 GFADMN COc1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c(Br)c1O ZINC000594959011 565438229 /nfs/dbraw/zinc/43/82/29/565438229.db2.gz BZOSHWDAGOLARD-IDFMNXDXSA-N 0 1 376.316 2.943 20 0 GFADMN NC(=O)CC1(CNCc2ncc(I)s2)CCCCC1 ZINC000595000538 565441416 /nfs/dbraw/zinc/44/14/16/565441416.db2.gz KZLSQVGOFYYXOZ-UHFFFAOYSA-N 0 1 393.294 2.663 20 0 GFADMN C[C@@H](Cn1cncn1)NCc1ccc(Cl)cc1I ZINC000595037709 565444838 /nfs/dbraw/zinc/44/48/38/565444838.db2.gz BRDQOOGQLFEXNK-VIFPVBQESA-N 0 1 376.629 2.714 20 0 GFADMN CN(Cc1n[nH]c(=O)o1)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000622116182 565462284 /nfs/dbraw/zinc/46/22/84/565462284.db2.gz SKASNEOXIPOAJS-UHFFFAOYSA-N 0 1 382.214 2.549 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)NC(=O)NCCCc1nc[nH]n1 ZINC000664419108 565462478 /nfs/dbraw/zinc/46/24/78/565462478.db2.gz BFQQFAIFXKROMU-ZDUSSCGKSA-N 0 1 380.290 2.820 20 0 GFADMN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(F)cc1 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CC(C)(CO)N1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000679316575 566036730 /nfs/dbraw/zinc/03/67/30/566036730.db2.gz RHHNLLVNQLXHTQ-UHFFFAOYSA-N 0 1 375.296 2.677 20 0 GFADMN C[C@H](NS(=O)(=O)c1ncccc1C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000632479907 566037034 /nfs/dbraw/zinc/03/70/34/566037034.db2.gz MAAXAMZAPVLDGS-YFKPBYRVSA-N 0 1 390.265 2.542 20 0 GFADMN C[C@H](CN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1)S(C)(=O)=O ZINC000679357156 566039428 /nfs/dbraw/zinc/03/94/28/566039428.db2.gz XWYWCCVIWIBCAQ-KCPJHIHWSA-N 0 1 376.316 2.692 20 0 GFADMN CC(C)(C)CN(CCO)CC(=O)Nc1ccc(I)cc1 ZINC000609483460 566040689 /nfs/dbraw/zinc/04/06/89/566040689.db2.gz HRZRMVSWDCJKMH-UHFFFAOYSA-N 0 1 390.265 2.570 20 0 GFADMN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)Nc1ccc(Br)cc1 ZINC000679513128 566044292 /nfs/dbraw/zinc/04/42/92/566044292.db2.gz WLFDFJQBAQNBRQ-UHFFFAOYSA-N 0 1 386.209 2.607 20 0 GFADMN CN1CCC[C@H](NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000609548477 566044507 /nfs/dbraw/zinc/04/45/07/566044507.db2.gz CHSNNHJTVDBCLE-RCDICMHDSA-N 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ZINC000656737346 566162754 /nfs/dbraw/zinc/16/27/54/566162754.db2.gz BMGMJHPMQIKFMF-UHFFFAOYSA-N 0 1 377.304 2.883 20 0 GFADMN O=C([O-])c1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cs1 ZINC000656763894 566164827 /nfs/dbraw/zinc/16/48/27/566164827.db2.gz SQVCPDIDPUMPEH-OAHLLOKOSA-N 0 1 380.491 2.853 20 0 GFADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cs1 ZINC000656763894 566164829 /nfs/dbraw/zinc/16/48/29/566164829.db2.gz SQVCPDIDPUMPEH-OAHLLOKOSA-N 0 1 380.491 2.853 20 0 GFADMN Cc1cc(C[C@H](C)N2C(=O)N[C@H](c3ccccc3Br)C2=O)n[nH]1 ZINC000656803691 566166546 /nfs/dbraw/zinc/16/65/46/566166546.db2.gz ARAYENQAECMNJT-IINYFYTJSA-N 0 1 377.242 2.705 20 0 GFADMN CCC1CCN(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000656888546 566175693 /nfs/dbraw/zinc/17/56/93/566175693.db2.gz FIEQHUCJUDEULQ-QGZVFWFLSA-N 0 1 385.599 2.917 20 0 GFADMN CC(C)O[C@@]1(CS(=O)(=O)Nc2ccc(-c3nncs3)cc2)CCOC1 ZINC000634792354 566178215 /nfs/dbraw/zinc/17/82/15/566178215.db2.gz NUGZMMUURGNRLS-INIZCTEOSA-N 0 1 383.495 2.531 20 0 GFADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2c3c(ccc2F)OCO3)s1 ZINC000634797362 566179934 /nfs/dbraw/zinc/17/99/34/566179934.db2.gz CCTYPPHOIWZPIZ-QMMMGPOBSA-N 0 1 386.426 2.614 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CCN1C ZINC000656918066 566182938 /nfs/dbraw/zinc/18/29/38/566182938.db2.gz KLKQMFGYCIKAMG-BXKDBHETSA-N 0 1 381.723 2.864 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000635019221 566189657 /nfs/dbraw/zinc/18/96/57/566189657.db2.gz TUNMAGHORZPJLN-QFYYESIMSA-N 0 1 375.252 2.744 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000635019221 566189660 /nfs/dbraw/zinc/18/96/60/566189660.db2.gz TUNMAGHORZPJLN-QFYYESIMSA-N 0 1 375.252 2.744 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cc(Br)c(F)cc1F ZINC000683262313 566191652 /nfs/dbraw/zinc/19/16/52/566191652.db2.gz RITKVGVXBNBNHK-CYBMUJFWSA-N 0 1 394.179 2.760 20 0 GFADMN CC[C@@H]1Cc2c(Br)cccc2CN1C[C@@H](O)CO[C@@H](C)COC ZINC000683676552 566208791 /nfs/dbraw/zinc/20/87/91/566208791.db2.gz DXWLIALZHYFZOW-NUEKZKHPSA-N 0 1 386.330 2.998 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000635422070 566211762 /nfs/dbraw/zinc/21/17/62/566211762.db2.gz JMUBNUGOASONGA-IIAWOOMASA-N 0 1 376.254 2.876 20 0 GFADMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000657059782 566214375 /nfs/dbraw/zinc/21/43/75/566214375.db2.gz AFJWDMBQVXZUAW-JTQLQIEISA-N 0 1 379.295 2.739 20 0 GFADMN Cc1cccc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)c1Br ZINC000657062094 566215482 /nfs/dbraw/zinc/21/54/82/566215482.db2.gz PNYIBFKIOLFUMF-LBPRGKRZSA-N 0 1 375.332 2.909 20 0 GFADMN Cc1nc(CS(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cs1 ZINC000684099637 566226934 /nfs/dbraw/zinc/22/69/34/566226934.db2.gz VUOCWUNPMGGJRS-AWEZNQCLSA-N 0 1 385.580 2.845 20 0 GFADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ncc(Br)s1 ZINC000684482385 566236999 /nfs/dbraw/zinc/23/69/99/566236999.db2.gz PYDPKKMOWLJHKH-JTQLQIEISA-N 0 1 378.255 2.738 20 0 GFADMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000736479027 598833375 /nfs/dbraw/zinc/83/33/75/598833375.db2.gz HNIVYKKMAFPHRK-UHFFFAOYSA-N 0 1 382.443 2.899 20 0 GFADMN [O-]c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000738400127 598837673 /nfs/dbraw/zinc/83/76/73/598837673.db2.gz DBZAAOGFSLJCTF-UHFFFAOYSA-N 0 1 384.871 2.984 20 0 GFADMN Cc1cc([C@@H]2CCCN2Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)on1 ZINC000737265703 598851823 /nfs/dbraw/zinc/85/18/23/598851823.db2.gz UMLTXPWTWVZJRJ-INIZCTEOSA-N 0 1 391.439 2.525 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1-c1nn[nH]n1 ZINC000737187813 598922699 /nfs/dbraw/zinc/92/26/99/598922699.db2.gz VUHWCHGTCAXBBE-GOSISDBHSA-N 0 1 386.481 2.652 20 0 GFADMN O=C(NCC[NH+]1CCCC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738074329 598932528 /nfs/dbraw/zinc/93/25/28/598932528.db2.gz CMFBDPSLDNEKHA-UHFFFAOYSA-N 0 1 396.426 2.624 20 0 GFADMN O=C(NCC[NH+]1CCCC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738074329 598932530 /nfs/dbraw/zinc/93/25/30/598932530.db2.gz CMFBDPSLDNEKHA-UHFFFAOYSA-N 0 1 396.426 2.624 20 0 GFADMN CCO[C@@H]1C[C@H](N(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1(C)C ZINC000736608254 598954645 /nfs/dbraw/zinc/95/46/45/598954645.db2.gz BUBSHJUAKHWSRT-ZWKOTPCHSA-N 0 1 381.484 2.823 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736268268 599021792 /nfs/dbraw/zinc/02/17/92/599021792.db2.gz RUYSMEWYFTZMPR-OAHLLOKOSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736268268 599021794 /nfs/dbraw/zinc/02/17/94/599021794.db2.gz RUYSMEWYFTZMPR-OAHLLOKOSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736268268 599021795 /nfs/dbraw/zinc/02/17/95/599021795.db2.gz RUYSMEWYFTZMPR-OAHLLOKOSA-N 0 1 391.479 2.566 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736268268 599021797 /nfs/dbraw/zinc/02/17/97/599021797.db2.gz RUYSMEWYFTZMPR-OAHLLOKOSA-N 0 1 391.479 2.566 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2ccco2)cc1-c1nn[nH]n1 ZINC000737187731 599183667 /nfs/dbraw/zinc/18/36/67/599183667.db2.gz SNEWZJUCYOMJPO-GFCCVEGCSA-N 0 1 386.437 2.650 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676232617 597074779 /nfs/dbraw/zinc/07/47/79/597074779.db2.gz FSCSOLYRIGXJNC-CRAIPNDOSA-N 0 1 390.480 2.554 20 0 GFADMN O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822965029 607315236 /nfs/dbraw/zinc/31/52/36/607315236.db2.gz XIKMYZOIRTVXJD-UHFFFAOYSA-N 0 1 395.467 2.886 20 0 GFADMN O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822965029 607315237 /nfs/dbraw/zinc/31/52/37/607315237.db2.gz XIKMYZOIRTVXJD-UHFFFAOYSA-N 0 1 395.467 2.886 20 0 GFADMN c1ccc2c(c1)OC[C@H](CN1CCC(Oc3cccc(-c4nn[nH]n4)c3)CC1)O2 ZINC000738418414 598263149 /nfs/dbraw/zinc/26/31/49/598263149.db2.gz GVYFKSUFAULKFN-SFHVURJKSA-N 0 1 393.447 2.550 20 0 GFADMN O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738166433 598300756 /nfs/dbraw/zinc/30/07/56/598300756.db2.gz UMYUKXWEPLOELX-UHFFFAOYSA-N 0 1 398.417 2.996 20 0 GFADMN CN(Cc1ccccc1-c1nn[nH]n1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736827385 598312700 /nfs/dbraw/zinc/31/27/00/598312700.db2.gz CFSRYYLIMOEVBI-LJQANCHMSA-N 0 1 377.427 2.961 20 0 GFADMN CC(C)(C)c1nc(CNC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cs1 ZINC000735657603 598465960 /nfs/dbraw/zinc/46/59/60/598465960.db2.gz RSQFWKHDSQFHFN-UHFFFAOYSA-N 0 1 398.540 2.774 20 0 GFADMN CC1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000736216174 598541562 /nfs/dbraw/zinc/54/15/62/598541562.db2.gz GVCPJHHNRKKRLV-UHFFFAOYSA-N 0 1 397.527 2.664 20 0 GFADMN COc1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)ccc1SC ZINC000737048163 598584996 /nfs/dbraw/zinc/58/49/96/598584996.db2.gz XEQFJUDPGOESMQ-UHFFFAOYSA-N 0 1 379.445 2.960 20 0 GFADMN Cc1cc(Cl)ccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737263364 598721527 /nfs/dbraw/zinc/72/15/27/598721527.db2.gz INLITUAFFDPRKV-UHFFFAOYSA-N 0 1 394.822 2.782 20 0 GFADMN C[C@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736109856 598742920 /nfs/dbraw/zinc/74/29/20/598742920.db2.gz AUTUYSFFFQVYMU-JTQLQIEISA-N 0 1 381.827 2.816 20 0 GFADMN COc1cccc([C@@H](C)N2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c1 ZINC000737120902 598768236 /nfs/dbraw/zinc/76/82/36/598768236.db2.gz JNFOVZMQUDYQEM-OAHLLOKOSA-N 0 1 396.470 2.893 20 0 GFADMN Clc1ccc(N2CCN(CCOc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574431 598791756 /nfs/dbraw/zinc/79/17/56/598791756.db2.gz FMLJOUPQPJMZAA-UHFFFAOYSA-N 0 1 384.871 2.721 20 0 GFADMN CCn1cc(CNCc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)cn1 ZINC000736721461 599333108 /nfs/dbraw/zinc/33/31/08/599333108.db2.gz BHEKYQHDTVXSBC-UHFFFAOYSA-N 0 1 389.463 2.952 20 0 GFADMN NC(=O)[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850816 599383906 /nfs/dbraw/zinc/38/39/06/599383906.db2.gz QZYFKCMYIFFHPX-PREGVCBESA-N 0 1 382.855 2.582 20 0 GFADMN Cc1nn(C)c2nc(Cl)c(CN[C@@H](C)c3cccc(-c4nn[nH]n4)c3)cc12 ZINC000822496274 599397423 /nfs/dbraw/zinc/39/74/23/599397423.db2.gz HKTNKLLFDGXACE-JTQLQIEISA-N 0 1 382.859 2.961 20 0 GFADMN Fc1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c(C(F)(F)F)c1 ZINC000737648224 599484961 /nfs/dbraw/zinc/48/49/61/599484961.db2.gz HKGHXSHFTFGPTK-UHFFFAOYSA-N 0 1 391.332 2.962 20 0 GFADMN Cc1c2cc(F)ccc2oc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737210751 599486837 /nfs/dbraw/zinc/48/68/37/599486837.db2.gz HNBFYHCLSZKOKN-UHFFFAOYSA-N 0 1 377.383 2.998 20 0 GFADMN CCOC(=O)CCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000821330180 599636594 /nfs/dbraw/zinc/63/65/94/599636594.db2.gz FPPXJIZBRZMTAF-UHFFFAOYSA-N 0 1 383.427 2.961 20 0 GFADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000823331847 599700349 /nfs/dbraw/zinc/70/03/49/599700349.db2.gz HUBSHLPZWLDJER-SFHVURJKSA-N 0 1 380.427 2.999 20 0 GFADMN Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000738779187 599713505 /nfs/dbraw/zinc/71/35/05/599713505.db2.gz VZOHUOVOIJGMAO-BMFZPTHFSA-N 0 1 382.468 2.724 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000738533376 599714767 /nfs/dbraw/zinc/71/47/67/599714767.db2.gz TZYKBLAYNZKVPF-OAHLLOKOSA-N 0 1 389.496 2.504 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2)C[C@H](C)O1 ZINC000736812098 599720790 /nfs/dbraw/zinc/72/07/90/599720790.db2.gz SVLBYHDAFYIIOW-OKILXGFUSA-N 0 1 384.432 2.952 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2)C[C@H](C)O1 ZINC000736812098 599720791 /nfs/dbraw/zinc/72/07/91/599720791.db2.gz SVLBYHDAFYIIOW-OKILXGFUSA-N 0 1 384.432 2.952 20 0 GFADMN C[N@@H+](CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1 ZINC000184887569 599722608 /nfs/dbraw/zinc/72/26/08/599722608.db2.gz JVTNGSVVIMGFCB-UHFFFAOYSA-N 0 1 396.896 2.839 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c2ccccc2)CC1 ZINC000737514834 599752005 /nfs/dbraw/zinc/75/20/05/599752005.db2.gz BOKQWYVXMXUTJA-SFHVURJKSA-N 0 1 387.867 2.965 20 0 GFADMN C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C[C@H]1CCCOC1 ZINC000737395220 599764013 /nfs/dbraw/zinc/76/40/13/599764013.db2.gz RZXNPCSVJFDIDN-SNVBAGLBSA-N 0 1 375.252 2.989 20 0 GFADMN C[C@@H](O)C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C1CCCCC1 ZINC000736678891 599780339 /nfs/dbraw/zinc/78/03/39/599780339.db2.gz YQNQHJVEQQDDQW-GFCCVEGCSA-N 0 1 380.510 2.889 20 0 GFADMN C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C(=O)[O-])c1 ZINC000737395204 599781082 /nfs/dbraw/zinc/78/10/82/599781082.db2.gz RPSRUXQVTIEWLT-UHFFFAOYSA-N 0 1 378.226 2.613 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(C(=O)[O-])c1 ZINC000737395204 599781083 /nfs/dbraw/zinc/78/10/83/599781083.db2.gz RPSRUXQVTIEWLT-UHFFFAOYSA-N 0 1 378.226 2.613 20 0 GFADMN Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000738594520 599811835 /nfs/dbraw/zinc/81/18/35/599811835.db2.gz QRMYHJAMUPPXIS-SFHVURJKSA-N 0 1 385.489 2.782 20 0 GFADMN Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000738594520 599811838 /nfs/dbraw/zinc/81/18/38/599811838.db2.gz QRMYHJAMUPPXIS-SFHVURJKSA-N 0 1 385.489 2.782 20 0 GFADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000184879374 599812086 /nfs/dbraw/zinc/81/20/86/599812086.db2.gz BNVWIOKEMLGHHG-HNNXBMFYSA-N 0 1 394.518 2.870 20 0 GFADMN C[C@@H]1CN(CCOc2cccc(C(=O)[O-])c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736808017 599960001 /nfs/dbraw/zinc/96/00/01/599960001.db2.gz HWQNNUCDUIAYED-DYESRHJHSA-N 0 1 384.476 2.503 20 0 GFADMN C[C@@H]1C[N@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808017 599960003 /nfs/dbraw/zinc/96/00/03/599960003.db2.gz HWQNNUCDUIAYED-DYESRHJHSA-N 0 1 384.476 2.503 20 0 GFADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808017 599960006 /nfs/dbraw/zinc/96/00/06/599960006.db2.gz HWQNNUCDUIAYED-DYESRHJHSA-N 0 1 384.476 2.503 20 0 GFADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738849461 599969137 /nfs/dbraw/zinc/96/91/37/599969137.db2.gz CPEPMTDVXATLTH-YOEHRIQHSA-N 0 1 399.495 2.641 20 0 GFADMN Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000738367868 599970709 /nfs/dbraw/zinc/97/07/09/599970709.db2.gz BTUXFJXXRSTKPM-SFHVURJKSA-N 0 1 384.480 3.000 20 0 GFADMN Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000738367868 599970710 /nfs/dbraw/zinc/97/07/10/599970710.db2.gz BTUXFJXXRSTKPM-SFHVURJKSA-N 0 1 384.480 3.000 20 0 GFADMN Cc1sc(NC(=O)CN2CCC[C@H](n3cc[nH+]c3C)C2)c(C(=O)[O-])c1C ZINC000738399086 599973895 /nfs/dbraw/zinc/97/38/95/599973895.db2.gz NFMURSSTPWFTJE-AWEZNQCLSA-N 0 1 376.482 2.844 20 0 GFADMN O=C([O-])[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000165464901 600022712 /nfs/dbraw/zinc/02/27/12/600022712.db2.gz GXVIJJSZOJHQFE-YJBOKZPZSA-N 0 1 384.398 2.764 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000649464957 600070878 /nfs/dbraw/zinc/07/08/78/600070878.db2.gz BURIYLFCLCVRFP-NHCUHLMSSA-N 0 1 393.487 2.664 20 0 GFADMN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737068696 600082850 /nfs/dbraw/zinc/08/28/50/600082850.db2.gz BGHPAEUEFHTXEI-UHFFFAOYSA-N 0 1 387.411 2.943 20 0 GFADMN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737068696 600082853 /nfs/dbraw/zinc/08/28/53/600082853.db2.gz BGHPAEUEFHTXEI-UHFFFAOYSA-N 0 1 387.411 2.943 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000736199152 600095996 /nfs/dbraw/zinc/09/59/96/600095996.db2.gz HDNWTKUWCTXEJK-MRXNPFEDSA-N 0 1 398.507 2.653 20 0 GFADMN O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(CC[NH+]3CCOCC3)cc1)C2 ZINC000740198863 600114164 /nfs/dbraw/zinc/11/41/64/600114164.db2.gz BAZJXULCUOYWLQ-UHFFFAOYSA-N 0 1 395.459 2.807 20 0 GFADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000737659814 600144641 /nfs/dbraw/zinc/14/46/41/600144641.db2.gz JEFGNNZIHYTJNZ-AWEZNQCLSA-N 0 1 384.432 2.845 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)[C@H](C)C1 ZINC000737166624 600180747 /nfs/dbraw/zinc/18/07/47/600180747.db2.gz HRDDWJOJCXEMLC-RHSMWYFYSA-N 0 1 377.485 2.952 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H](C)C1 ZINC000737168449 600183238 /nfs/dbraw/zinc/18/32/38/600183238.db2.gz VDEDFSNLTPSKKC-CJNGLKHVSA-N 0 1 381.448 2.782 20 0 GFADMN CC(C)Oc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1-c1nn[nH]n1 ZINC000820164116 607430258 /nfs/dbraw/zinc/43/02/58/607430258.db2.gz DKCAKAUJYLHCQI-UHFFFAOYSA-N 0 1 396.455 2.789 20 0 GFADMN O=C([O-])/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000739623603 600264529 /nfs/dbraw/zinc/26/45/29/600264529.db2.gz FACVKELZPHWUIO-LZNAANCOSA-N 0 1 378.469 2.582 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC2 ZINC000739277421 600291437 /nfs/dbraw/zinc/29/14/37/600291437.db2.gz 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GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(C(=O)[O-])cc3F)C2)nc(C)[nH+]1 ZINC000738408275 600398937 /nfs/dbraw/zinc/39/89/37/600398937.db2.gz MFSXUOLAWARZET-CQSZACIVSA-N 0 1 387.415 2.721 20 0 GFADMN O=C([O-])c1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000739290024 600486683 /nfs/dbraw/zinc/48/66/83/600486683.db2.gz NGPSMKCLOVHKFK-UHFFFAOYSA-N 0 1 387.867 2.795 20 0 GFADMN CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000737086204 600512613 /nfs/dbraw/zinc/51/26/13/600512613.db2.gz HKWRXBYZIJIIRQ-UHFFFAOYSA-N 0 1 392.477 2.906 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000739718770 600514043 /nfs/dbraw/zinc/51/40/43/600514043.db2.gz MGIFTKSKZAXERU-LBPRGKRZSA-N 0 1 375.252 2.888 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000739718770 600514045 /nfs/dbraw/zinc/51/40/45/600514045.db2.gz MGIFTKSKZAXERU-LBPRGKRZSA-N 0 1 375.252 2.888 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736218559 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RFRWYKUYEXEHGL-GOSISDBHSA-N 0 1 392.463 2.503 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000833190229 601340395 /nfs/dbraw/zinc/34/03/95/601340395.db2.gz SQBXJZJMSJQFSM-UXHICEINSA-N 0 1 388.508 2.678 20 0 GFADMN CCN(C[C@H]1CC[N@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)CC(F)(F)F ZINC000829688181 601380480 /nfs/dbraw/zinc/38/04/80/601380480.db2.gz WXZOPNQGWZHDBL-LLVKDONJSA-N 0 1 393.431 2.591 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccsc2C(=O)[O-])C1)CC(F)(F)F ZINC000829688181 601380482 /nfs/dbraw/zinc/38/04/82/601380482.db2.gz WXZOPNQGWZHDBL-LLVKDONJSA-N 0 1 393.431 2.591 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000833104023 601382823 /nfs/dbraw/zinc/38/28/23/601382823.db2.gz RSYHJDRBJFTENK-IBGZPJMESA-N 0 1 388.508 2.652 20 0 GFADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000833107607 601434184 /nfs/dbraw/zinc/43/41/84/601434184.db2.gz WZDIQAJZLCNCJI-BHIYHBOVSA-N 0 1 386.492 2.982 20 0 GFADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000833107607 601434186 /nfs/dbraw/zinc/43/41/86/601434186.db2.gz WZDIQAJZLCNCJI-BHIYHBOVSA-N 0 1 386.492 2.982 20 0 GFADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000811685424 601453027 /nfs/dbraw/zinc/45/30/27/601453027.db2.gz RNGYLFDEERFAQA-VQTJNVASSA-N 0 1 384.451 2.992 20 0 GFADMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000811685424 601453029 /nfs/dbraw/zinc/45/30/29/601453029.db2.gz RNGYLFDEERFAQA-VQTJNVASSA-N 0 1 384.451 2.992 20 0 GFADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000582909769 601457659 /nfs/dbraw/zinc/45/76/59/601457659.db2.gz UMYYOVULJYHDOE-MIZPHKNDSA-N 0 1 399.487 2.637 20 0 GFADMN Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000582909769 601457662 /nfs/dbraw/zinc/45/76/62/601457662.db2.gz UMYYOVULJYHDOE-MIZPHKNDSA-N 0 1 399.487 2.637 20 0 GFADMN 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/nfs/dbraw/zinc/64/97/42/601649742.db2.gz RHPGYRSBERVJCP-UHFFFAOYSA-N 0 1 388.414 2.940 20 0 GFADMN O=C([O-])c1ccc(-c2nc(C[NH+]3CCC(OCCCO)CC3)cs2)cc1 ZINC000833309063 601663489 /nfs/dbraw/zinc/66/34/89/601663489.db2.gz XLZUWIBWBYQMNN-UHFFFAOYSA-N 0 1 376.478 2.872 20 0 GFADMN Cc1cccc(OCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832972310 601733171 /nfs/dbraw/zinc/73/31/71/601733171.db2.gz WLVKBSOGTKXHMG-QFIPXVFZSA-N 0 1 382.460 2.609 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)CCc2ccccc2O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833102654 601740995 /nfs/dbraw/zinc/74/09/95/601740995.db2.gz OTLUSIGAIQKEJF-JOCHJYFZSA-N 0 1 382.460 2.560 20 0 GFADMN Cc1cc2c[nH]nc2c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832862459 601778232 /nfs/dbraw/zinc/77/82/32/601778232.db2.gz APBRTAQWSKQETN-JOCHJYFZSA-N 0 1 392.459 2.721 20 0 GFADMN C[C@@H](CS(=O)(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000827563653 601779947 /nfs/dbraw/zinc/77/99/47/601779947.db2.gz PWUWTWZVIJMBTH-HNNXBMFYSA-N 0 1 382.526 2.591 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)nn1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000832991310 601814677 /nfs/dbraw/zinc/81/46/77/601814677.db2.gz TWMYSYFGLMDRGG-QMTHXVAHSA-N 0 1 379.258 2.626 20 0 GFADMN C[N@@H+](Cc1ccsc1C(=O)[O-])[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000830865792 601822837 /nfs/dbraw/zinc/82/28/37/601822837.db2.gz YJRFELWWYDYNPP-AWEZNQCLSA-N 0 1 376.482 2.803 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740409759 601865701 /nfs/dbraw/zinc/86/57/01/601865701.db2.gz ICSJQTQFOKOTGZ-IRXDYDNUSA-N 0 1 377.460 2.544 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])cn1 ZINC000740235229 601881467 /nfs/dbraw/zinc/88/14/67/601881467.db2.gz BLQMRBVMOYKBNK-BBWFWOEESA-N 0 1 383.452 2.503 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000829889827 601890949 /nfs/dbraw/zinc/89/09/49/601890949.db2.gz GOJKAXUHWFJUQI-AWEZNQCLSA-N 0 1 390.461 2.910 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000829889827 601890951 /nfs/dbraw/zinc/89/09/51/601890951.db2.gz GOJKAXUHWFJUQI-AWEZNQCLSA-N 0 1 390.461 2.910 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739061036 601895645 /nfs/dbraw/zinc/89/56/45/601895645.db2.gz WYAXKJVHPRSRIZ-UXPWSPDFSA-N 0 1 381.476 2.817 20 0 GFADMN Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832979348 601903837 /nfs/dbraw/zinc/90/38/37/601903837.db2.gz MHJSNCDFFHOLAX-ACJLOTCBSA-N 0 1 383.366 2.910 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000828020427 601917848 /nfs/dbraw/zinc/91/78/48/601917848.db2.gz PYHVWPVZLBZANT-AUUYWEPGSA-N 0 1 387.461 2.815 20 0 GFADMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000738854172 601929433 /nfs/dbraw/zinc/92/94/33/601929433.db2.gz MYSLEXBXGAEWHQ-SFHVURJKSA-N 0 1 387.524 2.935 20 0 GFADMN 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CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])sc2C1 ZINC000739463532 602352310 /nfs/dbraw/zinc/35/23/10/602352310.db2.gz UGHWYWMKJUFMDZ-UBHSHLNASA-N 0 1 378.498 2.771 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])sc2C1 ZINC000739463532 602352311 /nfs/dbraw/zinc/35/23/11/602352311.db2.gz UGHWYWMKJUFMDZ-UBHSHLNASA-N 0 1 378.498 2.771 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738604568 602530010 /nfs/dbraw/zinc/53/00/10/602530010.db2.gz RXPGEEQWGKLLBR-KBPBESRZSA-N 0 1 390.509 2.575 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737566505 602534679 /nfs/dbraw/zinc/53/46/79/602534679.db2.gz PZIRFLRXFHPUTE-NSHDSACASA-N 0 1 389.374 2.986 20 0 GFADMN CN(C[C@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1)C(=O)[O-] ZINC000739659387 602537585 /nfs/dbraw/zinc/53/75/85/602537585.db2.gz CFUPTMYUOQAWAP-BEFAXECRSA-N 0 1 387.505 2.885 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1)C(=O)[O-] ZINC000739659387 602537587 /nfs/dbraw/zinc/53/75/87/602537587.db2.gz CFUPTMYUOQAWAP-BEFAXECRSA-N 0 1 387.505 2.885 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118795 602558045 /nfs/dbraw/zinc/55/80/45/602558045.db2.gz SISGJSVKWMDHJM-KSSFIOAISA-N 0 1 375.494 2.850 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118795 602558046 /nfs/dbraw/zinc/55/80/46/602558046.db2.gz SISGJSVKWMDHJM-KSSFIOAISA-N 0 1 375.494 2.850 20 0 GFADMN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000738938591 602561034 /nfs/dbraw/zinc/56/10/34/602561034.db2.gz JVARVIKFCSUJJM-SJKOYZFVSA-N 0 1 379.457 2.681 20 0 GFADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000738938591 602561035 /nfs/dbraw/zinc/56/10/35/602561035.db2.gz JVARVIKFCSUJJM-SJKOYZFVSA-N 0 1 379.457 2.681 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739104273 602572254 /nfs/dbraw/zinc/57/22/54/602572254.db2.gz LVFBBRDAZVXDTB-DLBZAZTESA-N 0 1 389.496 2.670 20 0 GFADMN O=C([O-])N1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000738484558 602575391 /nfs/dbraw/zinc/57/53/91/602575391.db2.gz XMVSOTZDCLLUJO-YQQQUEKLSA-N 0 1 386.496 2.624 20 0 GFADMN C[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738613406 602589548 /nfs/dbraw/zinc/58/95/48/602589548.db2.gz JULXQMPSXGDRHA-AHRSYUTCSA-N 0 1 385.508 2.814 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000740711305 602600779 /nfs/dbraw/zinc/60/07/79/602600779.db2.gz YABPGARIKHLRTE-UHFFFAOYSA-N 0 1 398.467 2.505 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738834688 602614250 /nfs/dbraw/zinc/61/42/50/602614250.db2.gz LWIDSUICXNRKBM-INIZCTEOSA-N 0 1 376.501 2.668 20 0 GFADMN 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/nfs/dbraw/zinc/05/78/36/603057836.db2.gz BBRCXUKSLILLCD-YOEHRIQHSA-N 0 1 385.464 2.847 20 0 GFADMN Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC([C@@H](C)NC(=O)[O-])CC3)C2=O)c1 ZINC000740126780 603063124 /nfs/dbraw/zinc/06/31/24/603063124.db2.gz FXKCONDEQTXALF-RHSMWYFYSA-N 0 1 377.460 2.998 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000739103787 603077990 /nfs/dbraw/zinc/07/79/90/603077990.db2.gz LFLQZFHTMRJCJA-DNVCBOLYSA-N 0 1 388.512 2.906 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1Cl ZINC000739607318 603143917 /nfs/dbraw/zinc/14/39/17/603143917.db2.gz JGSWSFJWGWMACY-SEEARECTSA-N 0 1 382.892 2.821 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826056404 603167672 /nfs/dbraw/zinc/16/76/72/603167672.db2.gz CKQPQACDMHKLOV-FCEWJHQRSA-N 0 1 389.496 2.510 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H]3CN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000826056404 603167677 /nfs/dbraw/zinc/16/76/77/603167677.db2.gz CKQPQACDMHKLOV-FCEWJHQRSA-N 0 1 389.496 2.510 20 0 GFADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736583683 603213775 /nfs/dbraw/zinc/21/37/75/603213775.db2.gz ADZIOEVURBJTBR-INIZCTEOSA-N 0 1 382.464 2.717 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000828259689 603223046 /nfs/dbraw/zinc/22/30/46/603223046.db2.gz NKXHJHOQNRZIFV-OAHLLOKOSA-N 0 1 388.493 2.505 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000830823011 603304261 /nfs/dbraw/zinc/30/42/61/603304261.db2.gz DMRYYTAGZJBETN-UHFFFAOYSA-N 0 1 392.419 2.938 20 0 GFADMN O=C([O-])N1CC[C@@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000740498269 603325398 /nfs/dbraw/zinc/32/53/98/603325398.db2.gz FEIXXCVQXDLRDX-LBPRGKRZSA-N 0 1 386.279 2.751 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000740677503 603327114 /nfs/dbraw/zinc/32/71/14/603327114.db2.gz MKHDAWNKEITZKE-UHFFFAOYSA-N 0 1 388.493 2.908 20 0 GFADMN CCC[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000739359254 603344918 /nfs/dbraw/zinc/34/49/18/603344918.db2.gz VSUJGKCKFSQBCI-KRWDZBQOSA-N 0 1 375.517 2.774 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000830818417 603375548 /nfs/dbraw/zinc/37/55/48/603375548.db2.gz LCMLLDKUNOBMJF-AUUYWEPGSA-N 0 1 393.447 2.837 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739175213 603414743 /nfs/dbraw/zinc/41/47/43/603414743.db2.gz QXDRPDYSHANKMZ-XHDPSFHLSA-N 0 1 388.295 2.930 20 0 GFADMN O=C([O-])N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000832100351 603425333 /nfs/dbraw/zinc/42/53/33/603425333.db2.gz XSNFDWDUNVREBU-WOJBJXKFSA-N 0 1 381.476 2.646 20 0 GFADMN O=C([O-])NCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000832583465 603481905 /nfs/dbraw/zinc/48/19/05/603481905.db2.gz OOCBZILSWWXDSN-SFHVURJKSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])NCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000832583465 603481906 /nfs/dbraw/zinc/48/19/06/603481906.db2.gz OOCBZILSWWXDSN-SFHVURJKSA-N 0 1 377.460 2.686 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825793858 603486601 /nfs/dbraw/zinc/48/66/01/603486601.db2.gz BRSZNHNTRVACNJ-NEWSRXKRSA-N 0 1 388.512 2.681 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262985 603497206 /nfs/dbraw/zinc/49/72/06/603497206.db2.gz ZHTJTQSQRAYHLB-QFBILLFUSA-N 0 1 387.505 2.946 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262985 603497209 /nfs/dbraw/zinc/49/72/09/603497209.db2.gz ZHTJTQSQRAYHLB-QFBILLFUSA-N 0 1 387.505 2.946 20 0 GFADMN CN(C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000827937875 603517979 /nfs/dbraw/zinc/51/79/79/603517979.db2.gz BMXUWWXZADRLRI-SFHVURJKSA-N 0 1 384.480 2.608 20 0 GFADMN 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/nfs/dbraw/zinc/06/99/41/607069941.db2.gz AEGSBLHQXSENPS-HNNXBMFYSA-N 0 1 390.463 2.837 20 0 GFADMN CC(C)OC[C@@H](O)CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000820142163 607097514 /nfs/dbraw/zinc/09/75/14/607097514.db2.gz IIHXKTCNWVVIKW-FQEVSTJZSA-N 0 1 399.470 2.794 20 0 GFADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820958748 607106795 /nfs/dbraw/zinc/10/67/95/607106795.db2.gz YMOHLCYZDIEVDM-HZPDHXFCSA-N 0 1 397.483 2.942 20 0 GFADMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)s1 ZINC000822435817 607155980 /nfs/dbraw/zinc/15/59/80/607155980.db2.gz BPIAHMGVYKRKEC-UHFFFAOYSA-N 0 1 392.510 2.939 20 0 GFADMN CC(=O)Oc1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000819826182 607156756 /nfs/dbraw/zinc/15/67/56/607156756.db2.gz FUAKLENNNRZCPG-UHFFFAOYSA-N 0 1 395.806 2.809 20 0 GFADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886278 607795796 /nfs/dbraw/zinc/79/57/96/607795796.db2.gz WRVPFXLQLYFGII-GOEBONIOSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886278 607795797 /nfs/dbraw/zinc/79/57/97/607795797.db2.gz WRVPFXLQLYFGII-GOEBONIOSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886278 607795798 /nfs/dbraw/zinc/79/57/98/607795798.db2.gz WRVPFXLQLYFGII-GOEBONIOSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886278 607795799 /nfs/dbraw/zinc/79/57/99/607795799.db2.gz WRVPFXLQLYFGII-GOEBONIOSA-N 0 1 396.520 2.959 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)o1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825139325 607911439 /nfs/dbraw/zinc/91/14/39/607911439.db2.gz DTZRAWUTAYRFLV-WMZOPIPTSA-N 0 1 378.440 2.517 20 0 GFADMN CC[C@H]1c2ccccc2CCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825220219 607928491 /nfs/dbraw/zinc/92/84/91/607928491.db2.gz QMUNZKFWCCUSLA-HNNXBMFYSA-N 0 1 396.476 2.839 20 0 GFADMN c1ccc(CSCCCN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826521962 608061631 /nfs/dbraw/zinc/06/16/31/608061631.db2.gz FYJBKFIGPHQPMM-UHFFFAOYSA-N 0 1 395.536 2.707 20 0 GFADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000824319347 608105439 /nfs/dbraw/zinc/10/54/39/608105439.db2.gz MVWXGBQQYBKFGX-LLVKDONJSA-N 0 1 399.459 2.778 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000826229423 608108983 /nfs/dbraw/zinc/10/89/83/608108983.db2.gz DHMVXQSSCLXYPS-BONVTDFDSA-N 0 1 396.476 2.743 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825865559 608190642 /nfs/dbraw/zinc/19/06/42/608190642.db2.gz FVEQZNNARGMIDR-UHFFFAOYSA-N 0 1 399.858 2.823 20 0 GFADMN C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825865559 608190643 /nfs/dbraw/zinc/19/06/43/608190643.db2.gz FVEQZNNARGMIDR-UHFFFAOYSA-N 0 1 399.858 2.823 20 0 GFADMN O=C([C@@H]1CC12CCN(Cc1cc(-c3nn[nH]n3)ccc1F)CC2)N1CCCCC1 ZINC000826398201 608212455 /nfs/dbraw/zinc/21/24/55/608212455.db2.gz RSKYHEICNKRRNZ-KRWDZBQOSA-N 0 1 398.486 2.620 20 0 GFADMN COc1ccc(CNCc2c(C(C)C)nc3sc(C)nn23)cc1-c1nn[nH]n1 ZINC000826202781 608309960 /nfs/dbraw/zinc/30/99/60/608309960.db2.gz MUZFCZXOEJTYPN-UHFFFAOYSA-N 0 1 398.496 2.701 20 0 GFADMN c1cc(-c2nnc(CN3CCC[C@H](C[C@@H]4CCOC4)C3)o2)ccc1-c1nn[nH]n1 ZINC000826512811 608326968 /nfs/dbraw/zinc/32/69/68/608326968.db2.gz OPIBVOYRTVATAL-CABCVRRESA-N 0 1 395.467 2.555 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000825856127 608430680 /nfs/dbraw/zinc/43/06/80/608430680.db2.gz OSOSXEXHLQIQNC-UHFFFAOYSA-N 0 1 397.508 2.711 20 0 GFADMN C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000825856127 608430682 /nfs/dbraw/zinc/43/06/82/608430682.db2.gz OSOSXEXHLQIQNC-UHFFFAOYSA-N 0 1 397.508 2.711 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cccc(OC(C)(C)C)n1 ZINC000826294812 608546245 /nfs/dbraw/zinc/54/62/45/608546245.db2.gz DQZWBVAJZLEHQJ-UHFFFAOYSA-N 0 1 391.435 2.506 20 0 GFADMN CC(=O)N1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(C)(C)C1 ZINC000823982189 608562556 /nfs/dbraw/zinc/56/25/56/608562556.db2.gz WKWUGQYXXKKYMO-UHFFFAOYSA-N 0 1 390.491 2.976 20 0 GFADMN COCCN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826159259 608567335 /nfs/dbraw/zinc/56/73/35/608567335.db2.gz ZHZHZVQGPFGECY-UHFFFAOYSA-N 0 1 393.451 2.807 20 0 GFADMN COc1ccc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1O ZINC000826194087 608603225 /nfs/dbraw/zinc/60/32/25/608603225.db2.gz AEYMLQOFCSWMMI-UHFFFAOYSA-N 0 1 381.436 2.624 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC2(CC1)OCc1ccccc12 ZINC000826523202 608737497 /nfs/dbraw/zinc/73/74/97/608737497.db2.gz FAACVMSTSJKTHB-UHFFFAOYSA-N 0 1 387.447 2.536 20 0 GFADMN CN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1cc(F)c(F)c(F)c1 ZINC000825915179 609283325 /nfs/dbraw/zinc/28/33/25/609283325.db2.gz UMYPSSPZSDNRJL-UHFFFAOYSA-N 0 1 390.369 2.745 20 0 GFADMN C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613884 609327434 /nfs/dbraw/zinc/32/74/34/609327434.db2.gz XMLQSPUDZNDABG-AWEZNQCLSA-N 0 1 394.454 2.979 20 0 GFADMN C[C@@H]1C[C@H](N(C)Cc2ccc(-c3nn[nH]n3)cc2Br)CC[N@H+]1C ZINC000824883696 609363311 /nfs/dbraw/zinc/36/33/11/609363311.db2.gz IUNPDJPAVAHCGP-BXUZGUMPSA-N 0 1 379.306 2.544 20 0 GFADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826189173 609468440 /nfs/dbraw/zinc/46/84/40/609468440.db2.gz OWWJWHZYPVCRFD-MRXNPFEDSA-N 0 1 398.492 2.504 20 0 GFADMN CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824162619 609496387 /nfs/dbraw/zinc/49/63/87/609496387.db2.gz JUFXLSALFXADSS-UHFFFAOYSA-N 0 1 393.373 2.623 20 0 GFADMN CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824162619 609496390 /nfs/dbraw/zinc/49/63/90/609496390.db2.gz JUFXLSALFXADSS-UHFFFAOYSA-N 0 1 393.373 2.623 20 0 GFADMN Cc1cccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1-c1nn[nH]n1 ZINC000826299736 609499927 /nfs/dbraw/zinc/49/99/27/609499927.db2.gz SJIWXCLUJCZTPI-UHFFFAOYSA-N 0 1 395.391 2.620 20 0 GFADMN Cc1c(Cl)cnc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826239492 609526304 /nfs/dbraw/zinc/52/63/04/609526304.db2.gz JDGBMHZLRQYNFF-PHIMTYICSA-N 0 1 379.896 2.523 20 0 GFADMN CCOCc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000825605054 609527554 /nfs/dbraw/zinc/52/75/54/609527554.db2.gz PGICKCSZYHTOGZ-UHFFFAOYSA-N 0 1 393.856 2.857 20 0 GFADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cncc(I)c1 ZINC000534515946 650223429 /nfs/dbraw/zinc/22/34/29/650223429.db2.gz QMMIXSPYGFKVJT-UHFFFAOYSA-N 0 1 391.172 2.519 20 0 GFADMN CCS(=O)(=O)c1ccc2oc(=S)n(CN(C)C[C@@H]3CCCN3C)c2c1 ZINC000817374280 660192270 /nfs/dbraw/zinc/19/22/70/660192270.db2.gz RDIRAMVKNNBOQS-ZDUSSCGKSA-N 0 1 383.539 2.741 20 0 GFADMN CN(C)CC[C@H](NC(=O)c1cccc(S(=O)(=O)C(F)F)c1)C(C)(C)C ZINC000817433719 660195389 /nfs/dbraw/zinc/19/53/89/660195389.db2.gz VAJCOMBFPMZNBP-AWEZNQCLSA-N 0 1 376.469 2.779 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1cc(Br)c(O)c(OC)c1 ZINC000818972158 660239255 /nfs/dbraw/zinc/23/92/55/660239255.db2.gz STZLOAPFACCIGM-CFHLNLSMSA-N 0 1 383.286 2.729 20 0 GFADMN O=S(=O)(CCNC[C@H](O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000818973939 660239787 /nfs/dbraw/zinc/23/97/87/660239787.db2.gz ZJRQEAQAWWHBBU-INIZCTEOSA-N 0 1 375.824 2.715 20 0 GFADMN O=C(C=C[C@H]1CCCO1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000819222124 660250522 /nfs/dbraw/zinc/25/05/22/660250522.db2.gz NXJZAIIURYUABG-SBDDDAINSA-N 0 1 377.242 2.586 20 0 GFADMN O=C(/C=C/[C@H]1CCCO1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000819222124 660250524 /nfs/dbraw/zinc/25/05/24/660250524.db2.gz NXJZAIIURYUABG-SBDDDAINSA-N 0 1 377.242 2.586 20 0 GFADMN CSCC[C@H](C)N(C)C(=O)c1cnc(I)c(O)c1 ZINC000820123773 660281914 /nfs/dbraw/zinc/28/19/14/660281914.db2.gz XEYBDENXTVHJHO-QMMMGPOBSA-N 0 1 380.251 2.605 20 0 GFADMN CCn1ncc(C(=O)NCCN(C)Cc2ccc(F)cc2)c1Br ZINC000820608086 660298981 /nfs/dbraw/zinc/29/89/81/660298981.db2.gz BCGIXNBOJAXAQG-UHFFFAOYSA-N 0 1 383.265 2.666 20 0 GFADMN CCc1nc(CNC(=O)c2cc(C)n(-c3ccccc3Br)n2)n[nH]1 ZINC000820880330 660309253 /nfs/dbraw/zinc/30/92/53/660309253.db2.gz VMRMZUGEUJPXEV-UHFFFAOYSA-N 0 1 389.257 2.554 20 0 GFADMN CS[C@@H]1CCCCN(C(=O)c2cnc(I)c(O)c2)C1 ZINC000821115449 660316321 /nfs/dbraw/zinc/31/63/21/660316321.db2.gz NOQBKZHQYQTLGK-SNVBAGLBSA-N 0 1 392.262 2.750 20 0 GFADMN CC1(C)C(=O)N[C@H]1C1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000821337366 660322069 /nfs/dbraw/zinc/32/20/69/660322069.db2.gz UNIMKFQWRDZCFM-CVEARBPZSA-N 0 1 381.314 2.719 20 0 GFADMN CN1CC[C@H](NC(=O)c2cc(N)nc(Br)c2)[C@@H]1c1ccccc1 ZINC000821365655 660323205 /nfs/dbraw/zinc/32/32/05/660323205.db2.gz NHXYZKUOYHPNKK-BBRMVZONSA-N 0 1 375.270 2.602 20 0 GFADMN C[C@@]1(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000822237813 660341959 /nfs/dbraw/zinc/34/19/59/660341959.db2.gz JVTNEHQCFSHFKK-GOSISDBHSA-N 0 1 384.351 2.894 20 0 GFADMN Brc1ccc(C2(c3noc([C@H]4CNCCO4)n3)CCOCC2)cc1 ZINC000823199606 660364758 /nfs/dbraw/zinc/36/47/58/660364758.db2.gz AAERGFAIDSRIBW-CQSZACIVSA-N 0 1 394.269 2.590 20 0 GFADMN 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GFADMN COC(=O)c1ccc(CNCc2cccnc2N(C)C)cc1Br ZINC000876928563 662868209 /nfs/dbraw/zinc/86/82/09/662868209.db2.gz IYNYKOIDLMFRGP-UHFFFAOYSA-N 0 1 378.270 2.987 20 0 GFADMN O=C(NCC1CCN(Cc2cccnc2Br)CC1)C(F)(F)F ZINC000877496489 662877192 /nfs/dbraw/zinc/87/71/92/662877192.db2.gz TZNZYSRKDAMPOB-UHFFFAOYSA-N 0 1 380.208 2.735 20 0 GFADMN COc1cc(F)c([C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1OC ZINC000878364022 662894590 /nfs/dbraw/zinc/89/45/90/662894590.db2.gz MTWPMULHZKREFI-KCJUWKMLSA-N 0 1 389.221 2.978 20 0 GFADMN Cn1cc(CNC2(CC(=O)OC(C)(C)C)CCOCC2)c(Br)n1 ZINC000878716536 662903418 /nfs/dbraw/zinc/90/34/18/662903418.db2.gz LKORRPBUQKEERA-UHFFFAOYSA-N 0 1 388.306 2.553 20 0 GFADMN O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)Nc1cccc(Cl)c1O ZINC000878822738 662906764 /nfs/dbraw/zinc/90/67/64/662906764.db2.gz WSMNTBCSBXIYJJ-SECBINFHSA-N 0 1 386.882 2.585 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1cc(Br)nn1C)c1cccc(F)c1 ZINC000879644597 662933284 /nfs/dbraw/zinc/93/32/84/662933284.db2.gz HZNNNXLKUNLZAM-LBPRGKRZSA-N 0 1 384.253 2.746 20 0 GFADMN CCS(=O)(=O)CCN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879653727 662934051 /nfs/dbraw/zinc/93/40/51/662934051.db2.gz USYKUDCDNFOFTP-SFHVURJKSA-N 0 1 376.563 2.684 20 0 GFADMN Cn1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c(Br)n1 ZINC000880039900 662946448 /nfs/dbraw/zinc/94/64/48/662946448.db2.gz OSNMYTIDUSOYIL-UHFFFAOYSA-N 0 1 392.301 2.922 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC2(CC1)COCCO2 ZINC000880541738 662962094 /nfs/dbraw/zinc/96/20/94/662962094.db2.gz LBAHRTWYTDYEPQ-UHFFFAOYSA-N 0 1 387.307 2.833 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NN1Cc2ccc(Br)cc2C1=O ZINC000880833428 662975483 /nfs/dbraw/zinc/97/54/83/662975483.db2.gz XQJRXEQBVSSLOH-BJOHPYRUSA-N 0 1 389.253 2.525 20 0 GFADMN O=C(Nc1cccc(F)c1Br)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000881140596 662983134 /nfs/dbraw/zinc/98/31/34/662983134.db2.gz FHYANXLBGFSNTI-ZIAGYGMSSA-N 0 1 386.265 2.651 20 0 GFADMN O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000882103527 663016792 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CO[C@H](CS(=O)(=O)N[C@@H](c1cccc(Cl)c1)C(F)F)[C@@H]1CCOC1 ZINC000882818336 663043090 /nfs/dbraw/zinc/04/30/90/663043090.db2.gz KPAXPWAAJQNVKA-BNOWGMLFSA-N 0 1 383.844 2.617 20 0 GFADMN Cn1c2ccc(C(F)(F)F)cc2nc1CNCC[C@@H]1CCCS1(=O)=O ZINC000883299443 663052807 /nfs/dbraw/zinc/05/28/07/663052807.db2.gz UXDGHEFNEPNVQY-LBPRGKRZSA-N 0 1 375.416 2.649 20 0 GFADMN O=S1(=O)CCC[C@H]1CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000883299717 663053032 /nfs/dbraw/zinc/05/30/32/663053032.db2.gz CVKCKTCPXZFTAZ-AWEZNQCLSA-N 0 1 398.326 2.896 20 0 GFADMN CS(=O)(=O)[C@H]1C[C@H](N[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000883375026 663054192 /nfs/dbraw/zinc/05/41/92/663054192.db2.gz ZSRMXSSCNBHXHV-YHUYYLMFSA-N 0 1 388.327 2.834 20 0 GFADMN CS(=O)(=O)[C@H]1C[C@H](NCc2cccc(Br)c2OC(F)F)C1 ZINC000883379400 663054461 /nfs/dbraw/zinc/05/44/61/663054461.db2.gz AADCFGWDCFKBDM-MGCOHNPYSA-N 0 1 384.242 2.716 20 0 GFADMN CCc1ncc(CN[C@@H]2CCc3cc(Br)ccc3NC2=O)cn1 ZINC000883387344 663054724 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Cn1ncc(Br)c1CN[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509957803 564319981 /nfs/dbraw/zinc/31/99/81/564319981.db2.gz LVKMELYSMFPDPR-OAHLLOKOSA-N 0 1 391.313 2.506 20 0 GFADMN Cc1ccc(NC(=O)c2n[nH]c3ccc(I)cc32)c(=O)[nH]1 ZINC000542636622 564320366 /nfs/dbraw/zinc/32/03/66/564320366.db2.gz RTACRCGIVBSVFK-UHFFFAOYSA-N 0 1 394.172 2.829 20 0 GFADMN CCc1cnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)o1 ZINC000509983371 564321037 /nfs/dbraw/zinc/32/10/37/564321037.db2.gz PWCRIOMZSSGESC-UHFFFAOYSA-N 0 1 393.248 2.809 20 0 GFADMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2Br)c1 ZINC000475809892 564321385 /nfs/dbraw/zinc/32/13/85/564321385.db2.gz JGHGEHGPNRIEDK-UHFFFAOYSA-N 0 1 399.266 2.618 20 0 GFADMN O=C([O-])C1CCC(O)(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000566358494 564324825 /nfs/dbraw/zinc/32/48/25/564324825.db2.gz XAUHMCVMIXBPAT-BFHRDPOASA-N 0 1 398.297 2.828 20 0 GFADMN O=C([C@H]1CCCS1(=O)=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000566427506 564326575 /nfs/dbraw/zinc/32/65/75/564326575.db2.gz 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CCc1nc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)n[nH]1 ZINC000477325507 564373363 /nfs/dbraw/zinc/37/33/63/564373363.db2.gz UQKMCBFBFRTYJQ-MRVPVSSYSA-N 0 1 390.241 2.874 20 0 GFADMN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000477360206 564374295 /nfs/dbraw/zinc/37/42/95/564374295.db2.gz NVXDRHKIELFHBG-UHFFFAOYSA-N 0 1 399.266 2.671 20 0 GFADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000567532342 564375749 /nfs/dbraw/zinc/37/57/49/564375749.db2.gz USBKPAGEGJRVCF-GYCJOSAFSA-N 0 1 379.547 2.826 20 0 GFADMN CO[C@@H]([C@@H](C)NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CC1 ZINC000451992330 564378113 /nfs/dbraw/zinc/37/81/13/564378113.db2.gz ODOGSLUYGMZVFC-UHLUBPPHSA-N 0 1 384.242 2.819 20 0 GFADMN O=C(NCCN1CC=CCC1)c1c(Cl)cccc1I ZINC000477627150 564382102 /nfs/dbraw/zinc/38/21/02/564382102.db2.gz PXTXPDFEEBTTHF-UHFFFAOYSA-N 0 1 390.652 2.936 20 0 GFADMN CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000452055086 564387918 /nfs/dbraw/zinc/38/79/18/564387918.db2.gz 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ZINC000478961664 564419522 /nfs/dbraw/zinc/41/95/22/564419522.db2.gz PAJRWRATDIVGAK-KRWDZBQOSA-N 0 1 393.281 2.825 20 0 GFADMN COC(=O)CC1(NC(=O)c2n[nH]c3ccc(Br)cc32)CCCC1 ZINC000513104419 564419861 /nfs/dbraw/zinc/41/98/61/564419861.db2.gz IDTWSVNPGLOJQY-UHFFFAOYSA-N 0 1 380.242 2.931 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)NCCNCc2cccnc2C)c1 ZINC000513105729 564420734 /nfs/dbraw/zinc/42/07/34/564420734.db2.gz ASCLKCOKVBXFFA-UHFFFAOYSA-N 0 1 398.326 2.529 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@](O)(C(F)F)C1 ZINC000452665944 564425677 /nfs/dbraw/zinc/42/56/77/564425677.db2.gz BKLDAVGNKGKSSW-OAHLLOKOSA-N 0 1 386.196 2.681 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1Cl ZINC000479179188 564430465 /nfs/dbraw/zinc/43/04/65/564430465.db2.gz CPQNGCTYHQPCPY-STQMWFEESA-N 0 1 387.933 2.840 20 0 GFADMN Clc1cccc(-n2cc(CNC3(c4nn[nH]n4)CCCC3)nn2)c1Cl ZINC000546035381 564441028 /nfs/dbraw/zinc/44/10/28/564441028.db2.gz GIDWOUVJPFBDKZ-UHFFFAOYSA-N 0 1 379.255 2.646 20 0 GFADMN O=C(c1c[nH]c2ccc(I)cc2c1=O)N1CC[C@@H]1C1CC1 ZINC000452995220 564441368 /nfs/dbraw/zinc/44/13/68/564441368.db2.gz RPAPCMJPFYQTDY-CQSZACIVSA-N 0 1 394.212 2.757 20 0 GFADMN Cc1cnn(C[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C(=O)[O-])c1 ZINC000569020844 564445217 /nfs/dbraw/zinc/44/52/17/564445217.db2.gz IGJPTAMCWFCPAW-AWEZNQCLSA-N 0 1 378.226 2.943 20 0 GFADMN COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC000453271699 564450816 /nfs/dbraw/zinc/45/08/16/564450816.db2.gz HCPLHXCLEXCUQP-RDJZCZTQSA-N 0 1 375.918 2.575 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CCCCCO1 ZINC000569129867 564451136 /nfs/dbraw/zinc/45/11/36/564451136.db2.gz PQJUDDBSCZPIKQ-UHFFFAOYSA-N 0 1 380.246 2.861 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCCCCO1 ZINC000569129867 564451138 /nfs/dbraw/zinc/45/11/38/564451138.db2.gz PQJUDDBSCZPIKQ-UHFFFAOYSA-N 0 1 380.246 2.861 20 0 GFADMN COc1ncc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1Cl ZINC000453287476 564452085 /nfs/dbraw/zinc/45/20/85/564452085.db2.gz 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565471362 /nfs/dbraw/zinc/47/13/62/565471362.db2.gz XHWAQMDUWKFOCJ-DOMZBBRYSA-N 0 1 379.551 2.918 20 0 GFADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(n3cc(Br)cn3)CC2)C1 ZINC000623192766 565499362 /nfs/dbraw/zinc/49/93/62/565499362.db2.gz BJMNJIQPHVRUTJ-XHDPSFHLSA-N 0 1 392.301 2.898 20 0 GFADMN Cc1nc2sccn2c(=O)c1CCN[C@H](C)c1ncc(Br)cn1 ZINC000645017335 565508018 /nfs/dbraw/zinc/50/80/18/565508018.db2.gz HZYZNNAAWMSOEI-SNVBAGLBSA-N 0 1 394.298 2.510 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000623479651 565513552 /nfs/dbraw/zinc/51/35/52/565513552.db2.gz GPYXYLYHUFUGAT-HRCADAONSA-N 0 1 398.264 2.972 20 0 GFADMN Cc1ncsc1CCC(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000665826627 565513695 /nfs/dbraw/zinc/51/36/95/565513695.db2.gz NACKPCUXKHVBPP-AWEZNQCLSA-N 0 1 380.836 2.596 20 0 GFADMN OC[C@@H](CCF)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623560648 565518204 /nfs/dbraw/zinc/51/82/04/565518204.db2.gz NNRYXEGOJLATIE-OAHLLOKOSA-N 0 1 395.302 2.515 20 0 GFADMN CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2nnc(C(F)(F)F)s2)cn1 ZINC000596448118 565524348 /nfs/dbraw/zinc/52/43/48/565524348.db2.gz VKTIJIPLSTWHPO-UHFFFAOYSA-N 0 1 377.392 3.574 20 0 GFADMN CN1CCC(NS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000645441620 565526163 /nfs/dbraw/zinc/52/61/63/565526163.db2.gz GVMLNCGNGBPODY-UHFFFAOYSA-N 0 1 381.723 2.616 20 0 GFADMN CN1CCOC[C@H]1CNCc1csc(-c2cccc(Br)c2)n1 ZINC000623710430 565526396 /nfs/dbraw/zinc/52/63/96/565526396.db2.gz CEWAIVOWUKCHRN-OAHLLOKOSA-N 0 1 382.327 2.993 20 0 GFADMN Cc1ccccc1-c1nc(=NC[C@@]2(N3CCOCC3)CCSC2)s[nH]1 ZINC000623884393 565533923 /nfs/dbraw/zinc/53/39/23/565533923.db2.gz AHETXOIWRQJJFG-SFHVURJKSA-N 0 1 376.551 2.555 20 0 GFADMN CC[C@H](CO)N1CCN(c2nccc(-c3ccc(Br)cc3)n2)CC1 ZINC000624004573 565538653 /nfs/dbraw/zinc/53/86/53/565538653.db2.gz LHZGNRWFRMTBQG-MRXNPFEDSA-N 0 1 391.313 2.799 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ncccc2C(F)(F)F)n[nH]1 ZINC000645679001 565550539 /nfs/dbraw/zinc/55/05/39/565550539.db2.gz RPZZSINRUUHVFK-DTWKUNHWSA-N 0 1 377.392 2.772 20 0 GFADMN CN1C[C@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000645722225 565555564 /nfs/dbraw/zinc/55/55/64/565555564.db2.gz DVPNZHRDVQMBJD-QMTHXVAHSA-N 0 1 393.734 2.568 20 0 GFADMN C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666854215 565560826 /nfs/dbraw/zinc/56/08/26/565560826.db2.gz SYNJOCZPUVBWMK-ZDUSSCGKSA-N 0 1 387.933 2.985 20 0 GFADMN C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000666854214 565561411 /nfs/dbraw/zinc/56/14/11/565561411.db2.gz SYNJOCZPUVBWMK-CYBMUJFWSA-N 0 1 387.933 2.985 20 0 GFADMN CO[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)C1 ZINC000667350278 565582424 /nfs/dbraw/zinc/58/24/24/565582424.db2.gz BAJOMPVPTMWPPE-ZFWWWQNUSA-N 0 1 396.329 2.955 20 0 GFADMN Cc1cc(Br)c(F)cc1S(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000625014173 565589084 /nfs/dbraw/zinc/58/90/84/565589084.db2.gz BRMAFHBSCDXUSN-NWDGAFQWSA-N 0 1 393.322 3.000 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000667500669 565589896 /nfs/dbraw/zinc/58/98/96/565589896.db2.gz XPCCFWNFMZMWOI-NSHDSACASA-N 0 1 387.297 2.654 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000667505707 565591519 /nfs/dbraw/zinc/59/15/19/565591519.db2.gz YBXXQPMEFDHIII-QWRGUYRKSA-N 0 1 388.281 2.815 20 0 GFADMN O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCN(CC2CC2)CC1 ZINC000625089143 565597488 /nfs/dbraw/zinc/59/74/88/565597488.db2.gz NQRZYFHENDJPOB-QGZVFWFLSA-N 0 1 378.314 2.730 20 0 GFADMN CC(C)c1cc(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)n[nH]1 ZINC000646341531 565598700 /nfs/dbraw/zinc/59/87/00/565598700.db2.gz YGQAZLVRGPDCCN-LBPRGKRZSA-N 0 1 379.258 2.984 20 0 GFADMN CNC(=O)CC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625201903 565606599 /nfs/dbraw/zinc/60/65/99/565606599.db2.gz CGTAMWPAKNWQNN-MRXNPFEDSA-N 0 1 394.313 2.551 20 0 GFADMN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667868403 565610964 /nfs/dbraw/zinc/61/09/64/565610964.db2.gz XXTNIFFRPMUJSX-JTQLQIEISA-N 0 1 377.242 2.874 20 0 GFADMN O=C(NCCc1ccc(I)cc1)[C@H]1CCCc2[nH]ncc21 ZINC000598392726 565613132 /nfs/dbraw/zinc/61/31/32/565613132.db2.gz IFVJBEHBMXKJBZ-ZDUSSCGKSA-N 0 1 395.244 2.793 20 0 GFADMN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598428815 565617072 /nfs/dbraw/zinc/61/70/72/565617072.db2.gz SOTHVKMPBRWPQG-ANRSDYALSA-N 0 1 397.216 2.921 20 0 GFADMN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@H]1C[C@]12CCOC2 ZINC000598429592 565617144 /nfs/dbraw/zinc/61/71/44/565617144.db2.gz ZAIQTOBDIAJBEK-OTYXRUKQSA-N 0 1 383.189 2.533 20 0 GFADMN Cc1cc(C)c(C(=O)N[C@@H](C)CN2CCN(C)CC2)c(C)c1Br ZINC000625334947 565620652 /nfs/dbraw/zinc/62/06/52/565620652.db2.gz QSIGBDXTYSKBKV-AWEZNQCLSA-N 0 1 382.346 2.740 20 0 GFADMN Cn1cc([C@H]2CN(Cc3ccncc3Br)CC23CCOCC3)cn1 ZINC000625456965 565632325 /nfs/dbraw/zinc/63/23/25/565632325.db2.gz WLECKJKCJGESKK-MRXNPFEDSA-N 0 1 391.313 2.974 20 0 GFADMN O=C1[C@H](c2nc([C@H]3CCCN3)no2)CCN1c1ccccc1Br ZINC000647152849 565641891 /nfs/dbraw/zinc/64/18/91/565641891.db2.gz OMVBSBZBXIIDIG-CMPLNLGQSA-N 0 1 377.242 2.777 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000668373100 565645104 /nfs/dbraw/zinc/64/51/04/565645104.db2.gz YGTYRTBTRYVYFF-OAHLLOKOSA-N 0 1 399.329 2.834 20 0 GFADMN COCCN1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(Br)cc2)C1 ZINC000668373098 565645121 /nfs/dbraw/zinc/64/51/21/565645121.db2.gz YGTYRTBTRYVYFF-HNNXBMFYSA-N 0 1 399.329 2.834 20 0 GFADMN O=C(Cc1cscn1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000668408609 565645888 /nfs/dbraw/zinc/64/58/88/565645888.db2.gz YNWPGNGEULIIJV-UHFFFAOYSA-N 0 1 378.929 2.668 20 0 GFADMN C[C@H](CCS(C)(=O)=O)NCc1cc(OC(F)F)ccc1Br ZINC000647192724 565646447 /nfs/dbraw/zinc/64/64/47/565646447.db2.gz VNTZHAUDRSPCHY-SECBINFHSA-N 0 1 386.258 2.963 20 0 GFADMN COc1cc(Br)c(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1O ZINC000668476996 565648856 /nfs/dbraw/zinc/64/88/56/565648856.db2.gz RLKORRDBACIPQA-CORIIIEPSA-N 0 1 388.302 2.819 20 0 GFADMN Brc1ccc2c(c1)C=C(CN1CCN([C@H]3CCOC3)CC1)CO2 ZINC000668538452 565651776 /nfs/dbraw/zinc/65/17/76/565651776.db2.gz ZHGMOIJWBYFNEO-KRWDZBQOSA-N 0 1 379.298 2.631 20 0 GFADMN CCOCCOc1ccc(Br)cc1CN(C)C[C@@H]1COCCO1 ZINC000668543781 565653213 /nfs/dbraw/zinc/65/32/13/565653213.db2.gz XUUYTFPMCMQGEE-MRXNPFEDSA-N 0 1 388.302 2.712 20 0 GFADMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(=O)N(C)CC1 ZINC000668622102 565658162 /nfs/dbraw/zinc/65/81/62/565658162.db2.gz OJINWHNEDBNBAB-UHFFFAOYSA-N 0 1 377.286 2.607 20 0 GFADMN C[C@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C(=O)[O-] ZINC000647368372 565658739 /nfs/dbraw/zinc/65/87/39/565658739.db2.gz YUEGHQRWKUEZSD-SMDDNHRTSA-N 0 1 394.269 2.966 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C(=O)[O-] ZINC000647368372 565658744 /nfs/dbraw/zinc/65/87/44/565658744.db2.gz YUEGHQRWKUEZSD-SMDDNHRTSA-N 0 1 394.269 2.966 20 0 GFADMN CC(C)c1nnc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC000625796139 565660363 /nfs/dbraw/zinc/66/03/63/565660363.db2.gz GLVGWJZVRGDRQZ-KRWDZBQOSA-N 0 1 379.302 2.700 20 0 GFADMN CN(C)C(=O)N(C)[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000668689137 565660796 /nfs/dbraw/zinc/66/07/96/565660796.db2.gz WWOVKTIQHJJKPB-INIZCTEOSA-N 0 1 394.313 2.913 20 0 GFADMN CC[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)c1nccs1 ZINC000599238720 565664001 /nfs/dbraw/zinc/66/40/01/565664001.db2.gz LDGAFTLFEXJDFV-SNVBAGLBSA-N 0 1 376.406 2.638 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@]1(C2CCCC2)CCNC1=O ZINC000625902216 565665470 /nfs/dbraw/zinc/66/54/70/565665470.db2.gz QEXZIOMZGBMUCW-QGZVFWFLSA-N 0 1 391.269 2.960 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)on1 ZINC000599271520 565666442 /nfs/dbraw/zinc/66/64/42/565666442.db2.gz LSAIAYQUUOMMDQ-CQSZACIVSA-N 0 1 390.820 2.929 20 0 GFADMN Cc1noc([C@@H]2OCC[C@@H]2NCc2nc3ccc(Br)cc3[nH]2)n1 ZINC000626144005 565678043 /nfs/dbraw/zinc/67/80/43/565678043.db2.gz NMVFZTHLOMZCPV-SMDDNHRTSA-N 0 1 378.230 2.637 20 0 GFADMN CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000626798818 565712086 /nfs/dbraw/zinc/71/20/86/565712086.db2.gz WVFHUKBNRFPTFR-CTYIDZIISA-N 0 1 379.869 2.783 20 0 GFADMN CS(=O)(=O)Nc1ccc(C(=O)NCCCCc2ccc(Cl)s2)cn1 ZINC000626976170 565717897 /nfs/dbraw/zinc/71/78/97/565717897.db2.gz RJNYKECLEZBDHF-UHFFFAOYSA-N 0 1 387.914 2.921 20 0 GFADMN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)s1 ZINC000670325119 565720364 /nfs/dbraw/zinc/72/03/64/565720364.db2.gz BQRCPFKKAHWOGA-QMMMGPOBSA-N 0 1 391.421 2.742 20 0 GFADMN O=C(c1ccc(Br)cc1F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670392535 565721314 /nfs/dbraw/zinc/72/13/14/565721314.db2.gz CDKXGHMKOGAOPP-AWEZNQCLSA-N 0 1 385.277 2.915 20 0 GFADMN O=C(CCOc1cccc(Br)c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000670405640 565721852 /nfs/dbraw/zinc/72/18/52/565721852.db2.gz KAQSCYHNXXSHBV-UHFFFAOYSA-N 0 1 396.241 2.713 20 0 GFADMN O=C(NC[C@@H]1COCCN1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627117535 565723004 /nfs/dbraw/zinc/72/30/04/565723004.db2.gz HNYBYNDLMNQUNM-ZBFHGGJFSA-N 0 1 382.302 2.504 20 0 GFADMN O=C(CCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259858 565727881 /nfs/dbraw/zinc/72/78/81/565727881.db2.gz ADHRLSPUHZXGSM-WDEREUQCSA-N 0 1 391.320 2.685 20 0 GFADMN O=C(CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259858 565727886 /nfs/dbraw/zinc/72/78/86/565727886.db2.gz ADHRLSPUHZXGSM-WDEREUQCSA-N 0 1 391.320 2.685 20 0 GFADMN O=C(CCCCc1ccc(Br)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627256196 565728652 /nfs/dbraw/zinc/72/86/52/565728652.db2.gz IAWDQUGSKQEITI-ROUUACIJSA-N 0 1 395.341 2.829 20 0 GFADMN O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627264027 565730830 /nfs/dbraw/zinc/73/08/30/565730830.db2.gz MXJROGXBQUJYKJ-GHMZBOCLSA-N 0 1 391.668 2.523 20 0 GFADMN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621834 565735106 /nfs/dbraw/zinc/73/51/06/565735106.db2.gz LZKFOAJAMKORHO-NXEZZACHSA-N 0 1 376.259 2.520 20 0 GFADMN C[C@H](NC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cc(Cl)ccc1Cl ZINC000670927315 565745292 /nfs/dbraw/zinc/74/52/92/565745292.db2.gz ZSIGWQPDJBXYKK-MQIPJXDCSA-N 0 1 384.307 2.723 20 0 GFADMN CS(=O)(=O)N1CC[C@@H](CSc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000649468239 565761428 /nfs/dbraw/zinc/76/14/28/565761428.db2.gz DZRATGLQHWKTKZ-SECBINFHSA-N 0 1 379.429 2.955 20 0 GFADMN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@@H]1CCC(=O)N1 ZINC000649592086 565768048 /nfs/dbraw/zinc/76/80/48/565768048.db2.gz UEGGTONGXIHZGF-GJZGRUSLSA-N 0 1 397.313 2.717 20 0 GFADMN CC(C)(C)OC(=O)COCCNCc1cn2ccc(Br)cc2n1 ZINC000601144566 565768722 /nfs/dbraw/zinc/76/87/22/565768722.db2.gz MEBPOCVVUVMWGG-UHFFFAOYSA-N 0 1 384.274 2.545 20 0 GFADMN C[C@@](CO)(NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc(O)c1 ZINC000649624764 565769427 /nfs/dbraw/zinc/76/94/27/565769427.db2.gz UMQUCDSBGKRDRW-KSSFIOAISA-N 0 1 386.275 2.936 20 0 GFADMN Cn1nccc1[C@H]1COCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000649884197 565784569 /nfs/dbraw/zinc/78/45/69/565784569.db2.gz LURGJQFFEREMKS-OAHLLOKOSA-N 0 1 376.258 2.632 20 0 GFADMN CC[C@@H](CO)N1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672225076 565800040 /nfs/dbraw/zinc/80/00/40/565800040.db2.gz LZFPEDDLQGGNRC-JTQLQIEISA-N 0 1 382.224 2.756 20 0 GFADMN COC1(CS(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)CCOCC1 ZINC000650192815 565804029 /nfs/dbraw/zinc/80/40/29/565804029.db2.gz GWRNBUDGFUUMQO-UHFFFAOYSA-N 0 1 375.462 2.940 20 0 GFADMN CN(CC(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CCSC1 ZINC000628892537 565812480 /nfs/dbraw/zinc/81/24/80/565812480.db2.gz AVZWLXPDKFYCQW-SNVBAGLBSA-N 0 1 379.270 2.781 20 0 GFADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCc3sc(Br)cc3C2)cn1 ZINC000672899613 565821767 /nfs/dbraw/zinc/82/17/67/565821767.db2.gz JLWVANOUUROFBZ-UHFFFAOYSA-N 0 1 392.282 2.833 20 0 GFADMN CCN(CCNC(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C)CCC(F)(F)F ZINC000673042760 565826300 /nfs/dbraw/zinc/82/63/00/565826300.db2.gz RWCLPLKZZBWGJO-QWRGUYRKSA-N 0 1 379.345 2.622 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3ccco3)s2)ccc1O ZINC000673129345 565828522 /nfs/dbraw/zinc/82/85/22/565828522.db2.gz DMTDDKAOUSDAPC-UHFFFAOYSA-N 0 1 378.431 2.874 20 0 GFADMN CCOC1(CS(=O)(=O)Nc2ccc(Cl)cc2NC(C)=O)CCOCC1 ZINC000629290205 565835554 /nfs/dbraw/zinc/83/55/54/565835554.db2.gz QPBZLEDEGAAVEE-UHFFFAOYSA-N 0 1 390.889 2.626 20 0 GFADMN Cc1cc(Br)cc2cc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)oc21 ZINC000673515583 565838587 /nfs/dbraw/zinc/83/85/87/565838587.db2.gz CVWQQFQPXLYKOZ-HUUCEWRRSA-N 0 1 393.281 2.785 20 0 GFADMN C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000629379469 565848990 /nfs/dbraw/zinc/84/89/90/565848990.db2.gz YFFKAVGTTMXCTA-JSGCOSHPSA-N 0 1 393.285 2.546 20 0 GFADMN C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C(=O)[O-] ZINC000629492078 565856555 /nfs/dbraw/zinc/85/65/55/565856555.db2.gz ZNLOZQGZJWJRGW-YVLXSGLVSA-N 0 1 381.270 2.745 20 0 GFADMN COc1ncc(Br)cc1CNC[C@@H](O)COc1ccc(C)cc1 ZINC000629592752 565861646 /nfs/dbraw/zinc/86/16/46/565861646.db2.gz DOWTXUMNPBKQGU-OAHLLOKOSA-N 0 1 381.270 2.691 20 0 GFADMN O=C1[C@@H](NCc2ccc(I)s2)C[C@@H]2CCCCN12 ZINC000602686170 565864278 /nfs/dbraw/zinc/86/42/78/565864278.db2.gz AZTJPBYCLGZDMB-ONGXEEELSA-N 0 1 376.263 2.596 20 0 GFADMN CCOC(=O)[C@]1(CNCc2cn3ccc(Br)cc3n2)CCCOC1 ZINC000602743348 565866553 /nfs/dbraw/zinc/86/65/53/565866553.db2.gz FPRXMSYRTUVCCP-KRWDZBQOSA-N 0 1 396.285 2.546 20 0 GFADMN NC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c1 ZINC000602738947 565866728 /nfs/dbraw/zinc/86/67/28/565866728.db2.gz JDYLMPQOPHVSKS-UHFFFAOYSA-N 0 1 386.205 2.642 20 0 GFADMN Cc1cc(Br)sc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000651507862 565866924 /nfs/dbraw/zinc/86/69/24/565866924.db2.gz SPPCDQVIQWZANT-UHFFFAOYSA-N 0 1 379.345 2.724 20 0 GFADMN COC1CCN(CCNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000674310896 565867004 /nfs/dbraw/zinc/86/70/04/565867004.db2.gz PPQIKERRMCHOPW-CQSZACIVSA-N 0 1 399.329 2.752 20 0 GFADMN O=C(NCCN1CC[C@H](O)C1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000629915420 565876027 /nfs/dbraw/zinc/87/60/27/565876027.db2.gz IEKNYXIGBHRCIX-LXZKKBNFSA-N 0 1 387.307 2.644 20 0 GFADMN CN(CC(=O)NCc1c(Br)cncc1Br)C1CCC1 ZINC000629996024 565879709 /nfs/dbraw/zinc/87/97/09/565879709.db2.gz PENJNXQEXHHKLC-UHFFFAOYSA-N 0 1 391.107 2.707 20 0 GFADMN Cc1ccc(C[C@H](CO)CNC(=O)CN(C)C2CCC2)cc1Br ZINC000630004947 565879151 /nfs/dbraw/zinc/87/91/51/565879151.db2.gz MZMCEMYSROCATJ-HNNXBMFYSA-N 0 1 383.330 2.509 20 0 GFADMN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CN(C)C1CCC1 ZINC000630004575 565879835 /nfs/dbraw/zinc/87/98/35/565879835.db2.gz FBBHLTPPANXVJI-AWEZNQCLSA-N 0 1 383.330 2.509 20 0 GFADMN COc1nsc(CNC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000630073670 565881291 /nfs/dbraw/zinc/88/12/91/565881291.db2.gz AELCRBDPYNSFQG-MXWKQRLJSA-N 0 1 378.336 2.502 20 0 GFADMN COc1cc(F)c(S(=O)(=O)N(CCN(C)C)C2CCCCC2)c(F)c1 ZINC000675017321 565889917 /nfs/dbraw/zinc/88/99/17/565889917.db2.gz VQVOYMRIVUMCGO-UHFFFAOYSA-N 0 1 376.469 2.858 20 0 GFADMN COC(=O)C(C)(C)Cc1cn(Cc2nc3ccc(Br)cc3[nH]2)nn1 ZINC000603251908 565892335 /nfs/dbraw/zinc/89/23/35/565892335.db2.gz YWHUKBOFBKFLBJ-UHFFFAOYSA-N 0 1 392.257 2.707 20 0 GFADMN CN[C@H](C)c1cn(Cc2ccc(I)cc2Cl)nn1 ZINC000603247087 565892559 /nfs/dbraw/zinc/89/25/59/565892559.db2.gz KEIIFTSBLJAPIB-MRVPVSSYSA-N 0 1 376.629 2.865 20 0 GFADMN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C(N)=O)sc3C)cc2)co1 ZINC000675277765 565896470 /nfs/dbraw/zinc/89/64/70/565896470.db2.gz GRFOPVUTXIWCQC-UHFFFAOYSA-N 0 1 377.447 2.920 20 0 GFADMN O=C(C1=Cc2cc(Br)ccc2OC1)N1CCN(C2CCC2)CC1 ZINC000603476201 565907721 /nfs/dbraw/zinc/90/77/21/565907721.db2.gz DOOHTEAZKJVVLZ-UHFFFAOYSA-N 0 1 377.282 2.922 20 0 GFADMN O[C@@H]1CCN(C2CN(Cc3ccc(-c4ccc(Br)cc4)o3)C2)C1 ZINC000651978324 565908361 /nfs/dbraw/zinc/90/83/61/565908361.db2.gz FMOFRQFDTCENMW-MRXNPFEDSA-N 0 1 377.282 2.960 20 0 GFADMN O=S(=O)([N-]CCC1CC[NH2+]CC1)c1cc(Br)sc1Cl ZINC000652385234 565927692 /nfs/dbraw/zinc/92/76/92/565927692.db2.gz QNIIHIKRUGGXCN-UHFFFAOYSA-N 0 1 387.752 2.832 20 0 GFADMN Brc1cnccc1CNC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000631035895 565935087 /nfs/dbraw/zinc/93/50/87/565935087.db2.gz YIVWFWDKPBHVJW-QGZVFWFLSA-N 0 1 376.298 2.835 20 0 GFADMN NS(=O)(=O)c1cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1Cl ZINC000631055301 565936555 /nfs/dbraw/zinc/93/65/55/565936555.db2.gz OFNSDWQOJDMRDB-FUHWJXTLSA-N 0 1 380.897 2.997 20 0 GFADMN CN1CCN(C[C@@H](NCc2ccncc2Br)c2ccccc2)CC1 ZINC000631062626 565937239 /nfs/dbraw/zinc/93/72/39/565937239.db2.gz XYDHYSXSCTXCFF-LJQANCHMSA-N 0 1 389.341 2.922 20 0 GFADMN C[C@@H](Cc1ccccc1Br)NCc1cn(C[C@H]2CCOC2)nn1 ZINC000631088857 565939520 /nfs/dbraw/zinc/93/95/20/565939520.db2.gz CBTUTXFKQFXRLA-UONOGXRCSA-N 0 1 379.302 2.798 20 0 GFADMN COc1cc(CNC(C)(C)CCS(C)(=O)=O)c(F)cc1Br ZINC000631085319 565940184 /nfs/dbraw/zinc/94/01/84/565940184.db2.gz SHIHIOWACRLVLJ-UHFFFAOYSA-N 0 1 382.295 2.900 20 0 GFADMN COCCC(=O)N1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631090430 565940212 /nfs/dbraw/zinc/94/02/12/565940212.db2.gz GETOTVSBPXYRGS-UHFFFAOYSA-N 0 1 390.709 2.615 20 0 GFADMN COc1cc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)c(F)cc1Br ZINC000631131185 565942309 /nfs/dbraw/zinc/94/23/09/565942309.db2.gz KPYKOQMSQLRCDD-ABAIWWIYSA-N 0 1 378.282 2.844 20 0 GFADMN FC(F)(F)[C@H](CNCc1cnc2ccc(Br)cn12)n1cncn1 ZINC000631212441 565948727 /nfs/dbraw/zinc/94/87/27/565948727.db2.gz XHTJFPMSJKRSOF-NSHDSACASA-N 0 1 389.179 2.582 20 0 GFADMN Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCN2CCC(O)CC2)c1Cl ZINC000676845863 565949164 /nfs/dbraw/zinc/94/91/64/565949164.db2.gz FNLLBFAINDFZDM-UHFFFAOYSA-N 0 1 395.352 2.735 20 0 GFADMN Cn1ncc(Br)c1CNCCC1(O)CCN(c2ccccc2)CC1 ZINC000631218847 565949382 /nfs/dbraw/zinc/94/93/82/565949382.db2.gz QVDVNJNQTMAKEJ-UHFFFAOYSA-N 0 1 393.329 2.694 20 0 GFADMN COc1cc(Br)ccc1CNCc1n[nH]c(C2CCOCC2)n1 ZINC000631213426 565949472 /nfs/dbraw/zinc/94/94/72/565949472.db2.gz LVQFMVGAWLLIHC-UHFFFAOYSA-N 0 1 381.274 2.760 20 0 GFADMN CN1CC[C@@H](N2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)C1=O ZINC000631308144 565953704 /nfs/dbraw/zinc/95/37/04/565953704.db2.gz ZKINXZHZFYXFKQ-CYBMUJFWSA-N 0 1 376.810 2.861 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)c1nc2cc(Cl)ccc2s1 ZINC000631487773 565959862 /nfs/dbraw/zinc/95/98/62/565959862.db2.gz MAEINMOKTMHKTB-UHFFFAOYSA-N 0 1 377.857 2.892 20 0 GFADMN CCN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C[C@H]1C ZINC000677216151 565964421 /nfs/dbraw/zinc/96/44/21/565964421.db2.gz BPDVVJBOITWWDH-GFCCVEGCSA-N 0 1 379.913 2.837 20 0 GFADMN CCC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1nn[nH]n1 ZINC000631673170 565966357 /nfs/dbraw/zinc/96/63/57/565966357.db2.gz CWQKLGUJKNRBBC-ZOBORPQBSA-N 0 1 376.258 2.506 20 0 GFADMN Cc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)n[nH]1 ZINC000606499200 565966545 /nfs/dbraw/zinc/96/65/45/565966545.db2.gz MTSXLJSKPBRPOC-CYBMUJFWSA-N 0 1 378.274 2.559 20 0 GFADMN COc1ccc(Br)c(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000606647291 565968737 /nfs/dbraw/zinc/96/87/37/565968737.db2.gz RYJGFRIWCVDCRF-MRXNPFEDSA-N 0 1 384.318 2.939 20 0 GFADMN Cc1cc(CNC(=O)Nc2cnn(-c3ccccc3Br)c2)n[nH]1 ZINC000677375074 565972614 /nfs/dbraw/zinc/97/26/14/565972614.db2.gz CSFGQFRXZBSXDV-UHFFFAOYSA-N 0 1 375.230 2.988 20 0 GFADMN CC[C@H](CO)N1CCN(C(=O)CCCc2cccc(Br)c2)CC1 ZINC000677581910 565978333 /nfs/dbraw/zinc/97/83/33/565978333.db2.gz MYQIDVJYFIJQDC-QGZVFWFLSA-N 0 1 383.330 2.687 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCN1C ZINC000607665224 565988127 /nfs/dbraw/zinc/98/81/27/565988127.db2.gz STEGRBNUUPLVOM-HIFRSBDPSA-N 0 1 384.929 2.587 20 0 GFADMN Cc1cc(CNS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000608025982 565998580 /nfs/dbraw/zinc/99/85/80/565998580.db2.gz LRIFQMDTOSFJHX-UHFFFAOYSA-N 0 1 398.204 2.978 20 0 GFADMN C[C@H]1C[C@H](NCc2ccc(F)c(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000608077116 566003890 /nfs/dbraw/zinc/00/38/90/566003890.db2.gz VAQDQRUJEWYHMH-BONVTDFDSA-N 0 1 381.249 2.605 20 0 GFADMN O=C(c1c(F)cncc1Br)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000632219390 566011677 /nfs/dbraw/zinc/01/16/77/566011677.db2.gz MZZDMJAGVFDWLG-SNVBAGLBSA-N 0 1 394.248 2.999 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc(F)c(Br)c1 ZINC000608356591 566011827 /nfs/dbraw/zinc/01/18/27/566011827.db2.gz QBTQTRCXFFWTAC-ZDUSSCGKSA-N 0 1 376.189 2.621 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654636447 566017130 /nfs/dbraw/zinc/01/71/30/566017130.db2.gz CCQUMGQBEZVCQF-CYBMUJFWSA-N 0 1 394.273 2.760 20 0 GFADMN CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1ccc(I)s1 ZINC000608881521 566025912 /nfs/dbraw/zinc/02/59/12/566025912.db2.gz XWNVONPSJKPWJP-GFCCVEGCSA-N 0 1 392.306 2.886 20 0 GFADMN Cc1cc(C[C@H](C)NS(=O)(=O)CCc2ccccc2Br)n[nH]1 ZINC000632395956 566028401 /nfs/dbraw/zinc/02/84/01/566028401.db2.gz XXKWDEGSFBWTAM-LBPRGKRZSA-N 0 1 386.315 2.574 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cnc(N(C)C)c(Cl)c2)c1 ZINC000654936369 566030369 /nfs/dbraw/zinc/03/03/69/566030369.db2.gz XCCXOPAZIZGUQL-UHFFFAOYSA-N 0 1 383.857 2.553 20 0 GFADMN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000632451739 566033067 /nfs/dbraw/zinc/03/30/67/566033067.db2.gz ZTNDVQVMCACSNO-UHFFFAOYSA-N 0 1 393.336 2.869 20 0 GFADMN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(N2CCCOCC2)CC1 ZINC000632451739 566033072 /nfs/dbraw/zinc/03/30/72/566033072.db2.gz ZTNDVQVMCACSNO-UHFFFAOYSA-N 0 1 393.336 2.869 20 0 GFADMN C[C@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)c1nc(C(F)(F)F)no1 ZINC000632480834 566037813 /nfs/dbraw/zinc/03/78/13/566037813.db2.gz ZLRLVWDHXCNKSI-BYPYZUCNSA-N 0 1 375.250 2.545 20 0 GFADMN Cc1nnc(SCCC(=O)NCc2nc3cc(Br)ccc3o2)[nH]1 ZINC000655080661 566038978 /nfs/dbraw/zinc/03/89/78/566038978.db2.gz FWEQXJRNDSKTJL-UHFFFAOYSA-N 0 1 396.270 2.815 20 0 GFADMN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)CCc1c[nH]nn1 ZINC000632540546 566044636 /nfs/dbraw/zinc/04/46/36/566044636.db2.gz LTRZYMSZAUWSKH-MRXNPFEDSA-N 0 1 395.301 2.654 20 0 GFADMN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)CCc1cnn[nH]1 ZINC000632540546 566044640 /nfs/dbraw/zinc/04/46/40/566044640.db2.gz LTRZYMSZAUWSKH-MRXNPFEDSA-N 0 1 395.301 2.654 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000655228936 566047094 /nfs/dbraw/zinc/04/70/94/566047094.db2.gz ACFUQIZFGJKEFK-MJBXVCDLSA-N 0 1 391.269 2.839 20 0 GFADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655232351 566048277 /nfs/dbraw/zinc/04/82/77/566048277.db2.gz SFURXNKIPLMUAU-FZMZJTMJSA-N 0 1 393.285 2.914 20 0 GFADMN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655236464 566048673 /nfs/dbraw/zinc/04/86/73/566048673.db2.gz PHTSKXOPGWRJLE-MFKMUULPSA-N 0 1 395.257 2.502 20 0 GFADMN O=C(CSCc1ccc(Br)cc1)NC1(c2nn[nH]n2)CCCC1 ZINC000609881668 566055911 /nfs/dbraw/zinc/05/59/11/566055911.db2.gz DRRKPKQBGTYVNC-UHFFFAOYSA-N 0 1 396.314 2.781 20 0 GFADMN CSc1ccc(S(=O)(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Cl ZINC000655630003 566074218 /nfs/dbraw/zinc/07/42/18/566074218.db2.gz AOEOQULOIMICKD-NSHDSACASA-N 0 1 388.902 2.510 20 0 GFADMN O=S(=O)(Cc1cc(Cl)sc1Cl)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655631041 566074504 /nfs/dbraw/zinc/07/45/04/566074504.db2.gz SCZNDXVMOZKAKL-MRVPVSSYSA-N 0 1 397.309 2.644 20 0 GFADMN O=S(=O)(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Cl)sc1Cl ZINC000655630329 566074650 /nfs/dbraw/zinc/07/46/50/566074650.db2.gz FKFGGATYNLEINO-ZCFIWIBFSA-N 0 1 383.282 2.503 20 0 GFADMN O=S(=O)(Cc1cccc(Br)c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655669102 566081806 /nfs/dbraw/zinc/08/18/06/566081806.db2.gz XCGNFTQRNWHOSW-JKSUJKDBSA-N 0 1 387.343 2.885 20 0 GFADMN Cc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1Br ZINC000681100475 566093757 /nfs/dbraw/zinc/09/37/57/566093757.db2.gz JZPUUWAKFWNLDZ-HUUCEWRRSA-N 0 1 382.302 2.820 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000610781372 566098314 /nfs/dbraw/zinc/09/83/14/566098314.db2.gz IKINKPBWVNYOEZ-VXGBXAGGSA-N 0 1 394.320 2.714 20 0 GFADMN COc1cc2nccc(NCc3nnn(C(C)(C)C)n3)c2cc1Br ZINC000656212723 566114186 /nfs/dbraw/zinc/11/41/86/566114186.db2.gz LKZJNYNNODNAGQ-UHFFFAOYSA-N 0 1 391.273 2.781 20 0 GFADMN CN(C)Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)cn1 ZINC000633781862 566124700 /nfs/dbraw/zinc/12/47/00/566124700.db2.gz LQTLOSPQHFRAAL-CGTJXYLNSA-N 0 1 386.293 2.974 20 0 GFADMN CC1(C)CN(C(=O)CCOc2ccc(Cl)cc2Cl)CCN1CCO ZINC000682005622 566139509 /nfs/dbraw/zinc/13/95/09/566139509.db2.gz FDHIFKUVVCKOPH-UHFFFAOYSA-N 0 1 375.296 2.677 20 0 GFADMN C[C@@H](NC(=O)CN1CCN(CCO)C(C)(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000682035226 566141087 /nfs/dbraw/zinc/14/10/87/566141087.db2.gz USKBLHFLULLBMK-CYBMUJFWSA-N 0 1 388.339 2.559 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCN(C)CC1 ZINC000612031353 566148815 /nfs/dbraw/zinc/14/88/15/566148815.db2.gz PCHNGWWIQRVYSB-UHFFFAOYSA-N 0 1 391.331 2.563 20 0 GFADMN CC1CC(n2nnc3c2CN(C(=O)c2cccc(Br)c2O)CC3)C1 ZINC000634229539 566149216 /nfs/dbraw/zinc/14/92/16/566149216.db2.gz YVKIYGZDRRXLBP-UHFFFAOYSA-N 0 1 391.269 2.916 20 0 GFADMN CN1CCN(c2ccnc(NC(=O)c3cc(F)ccc3Br)c2)CC1 ZINC000634196901 566149413 /nfs/dbraw/zinc/14/94/13/566149413.db2.gz BPECPSSMWTYMQK-UHFFFAOYSA-N 0 1 393.260 2.987 20 0 GFADMN CCN(C(C)=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cn1 ZINC000656738263 566162728 /nfs/dbraw/zinc/16/27/28/566162728.db2.gz GRURTGXICSCIFL-UHFFFAOYSA-N 0 1 383.857 2.917 20 0 GFADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000612533902 566165872 /nfs/dbraw/zinc/16/58/72/566165872.db2.gz YSRDRYDIOGPMNX-YCPHGPKFSA-N 0 1 391.269 2.839 20 0 GFADMN COc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000682690152 566167638 /nfs/dbraw/zinc/16/76/38/566167638.db2.gz LLRGJIUHZPMJDR-UHFFFAOYSA-N 0 1 380.227 2.952 20 0 GFADMN CN(C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccncc1 ZINC000656884204 566174430 /nfs/dbraw/zinc/17/44/30/566174430.db2.gz PVLAIWDQRAHHCR-UHFFFAOYSA-N 0 1 398.326 2.597 20 0 GFADMN CC(C)O[C@]1(CS(=O)(=O)Nc2cccc(Br)c2F)CCOC1 ZINC000634794011 566178577 /nfs/dbraw/zinc/17/85/77/566178577.db2.gz JZLKROGNZOXKTC-CQSZACIVSA-N 0 1 396.278 2.914 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cccc(Br)c1F ZINC000683262479 566191012 /nfs/dbraw/zinc/19/10/12/566191012.db2.gz UJUDCFVWHXQAIE-CYBMUJFWSA-N 0 1 376.189 2.621 20 0 GFADMN Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCc4[nH]cnc4C3)nc12 ZINC000613504255 566200118 /nfs/dbraw/zinc/20/01/18/566200118.db2.gz MPESSLBNVAYALZ-LLVKDONJSA-N 0 1 388.269 2.550 20 0 GFADMN Cn1nc(C(=O)[O-])cc1C[NH+]1CCC(Nc2cccc(Br)c2)CC1 ZINC000635313158 566205788 /nfs/dbraw/zinc/20/57/88/566205788.db2.gz JCGXOBINZLLUEA-UHFFFAOYSA-N 0 1 393.285 2.957 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)CCCc2cc(C)sc2C)ccc1O ZINC000683904561 566218502 /nfs/dbraw/zinc/21/85/02/566218502.db2.gz FLZZYMVBMFFUJQ-UHFFFAOYSA-N 0 1 382.507 2.940 20 0 GFADMN Cc1cc(S(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)sc1C ZINC000657108408 566224021 /nfs/dbraw/zinc/22/40/21/566224021.db2.gz YVSTZAGOROMORS-UHFFFAOYSA-N 0 1 379.551 2.950 20 0 GFADMN CCc1nn(C)cc1CN1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1 ZINC000583615841 570801159 /nfs/dbraw/zinc/80/11/59/570801159.db2.gz BXXQEQGXSUVJNZ-UHFFFAOYSA-N 0 1 387.406 2.608 20 0 GFADMN O=C(CCN1CCc2c(Cl)cccc2C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737847475 598865689 /nfs/dbraw/zinc/86/56/89/598865689.db2.gz SUKDPWKAZHFHPU-UHFFFAOYSA-N 0 1 382.855 2.907 20 0 GFADMN CCOc1cccc([C@H](C)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654578 598960896 /nfs/dbraw/zinc/96/08/96/598960896.db2.gz KOKZEVDEHWDLMR-IFXJQAMLSA-N 0 1 392.463 2.722 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736269318 598969546 /nfs/dbraw/zinc/96/95/46/598969546.db2.gz WFSFTHGENBKYPW-CVEARBPZSA-N 0 1 392.511 2.901 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736269318 598969547 /nfs/dbraw/zinc/96/95/47/598969547.db2.gz WFSFTHGENBKYPW-CVEARBPZSA-N 0 1 392.511 2.901 20 0 GFADMN C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736269318 598969548 /nfs/dbraw/zinc/96/95/48/598969548.db2.gz WFSFTHGENBKYPW-CVEARBPZSA-N 0 1 392.511 2.901 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736269318 598969549 /nfs/dbraw/zinc/96/95/49/598969549.db2.gz WFSFTHGENBKYPW-CVEARBPZSA-N 0 1 392.511 2.901 20 0 GFADMN CCN(CC)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccccc1Cl ZINC000736532820 598983388 /nfs/dbraw/zinc/98/33/88/598983388.db2.gz DGYYZRSZUQEQEW-QGZVFWFLSA-N 0 1 399.886 2.728 20 0 GFADMN O=C(OCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738235865 599058103 /nfs/dbraw/zinc/05/81/03/599058103.db2.gz BBIPKKWSMDXJKD-SFHVURJKSA-N 0 1 395.438 2.961 20 0 GFADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773107 599107726 /nfs/dbraw/zinc/10/77/26/599107726.db2.gz WCDJXZAUQKVGFT-MAUKXSAKSA-N 0 1 393.495 2.757 20 0 GFADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773107 599107728 /nfs/dbraw/zinc/10/77/28/599107728.db2.gz WCDJXZAUQKVGFT-MAUKXSAKSA-N 0 1 393.495 2.757 20 0 GFADMN Cc1nnc(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[nH]n3)c2)[nH]1 ZINC000737482547 599200631 /nfs/dbraw/zinc/20/06/31/599200631.db2.gz OQKZXSAPZYKUQY-UHFFFAOYSA-N 0 1 396.798 2.991 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3cccc(CC(=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000818829604 596914859 /nfs/dbraw/zinc/91/48/59/596914859.db2.gz AYXYDAGUHOUOSZ-UHFFFAOYSA-N 0 1 383.452 2.511 20 0 GFADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000817744092 597001917 /nfs/dbraw/zinc/00/19/17/597001917.db2.gz ODKHEEPEUMLIAY-GFCCVEGCSA-N 0 1 375.450 2.734 20 0 GFADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712596 597072205 /nfs/dbraw/zinc/07/22/05/597072205.db2.gz DMNGMTOWKAVCGU-KRWDZBQOSA-N 0 1 384.480 2.923 20 0 GFADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532712596 597072210 /nfs/dbraw/zinc/07/22/10/597072210.db2.gz DMNGMTOWKAVCGU-KRWDZBQOSA-N 0 1 384.480 2.923 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000819375553 597072730 /nfs/dbraw/zinc/07/27/30/597072730.db2.gz PVIJBMPXAPQMRM-GDBMZVCRSA-N 0 1 385.420 2.737 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)C1 ZINC000819375553 597072732 /nfs/dbraw/zinc/07/27/32/597072732.db2.gz PVIJBMPXAPQMRM-GDBMZVCRSA-N 0 1 385.420 2.737 20 0 GFADMN CN(C)[C@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)c1ccco1 ZINC000736757526 599254662 /nfs/dbraw/zinc/25/46/62/599254662.db2.gz BQGRRNLDBUCLRL-OAHLLOKOSA-N 0 1 383.843 2.798 20 0 GFADMN COc1cccc([C@H](CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)N(C)C)c1 ZINC000821859379 607288693 /nfs/dbraw/zinc/28/86/93/607288693.db2.gz NPKJAMHKIIXVKB-SFHVURJKSA-N 0 1 395.467 2.608 20 0 GFADMN C[C@@H](C(=O)N1CCCCCC1)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735522219 598248466 /nfs/dbraw/zinc/24/84/66/598248466.db2.gz ZJYPIFCAHMNLNZ-INIZCTEOSA-N 0 1 398.511 2.501 20 0 GFADMN COc1ccc(C2(NCc3cc(-c4nn[nH]n4)ccc3F)CCOCC2)cc1 ZINC000737076318 598487056 /nfs/dbraw/zinc/48/70/56/598487056.db2.gz OEWLMNROVQPQAA-UHFFFAOYSA-N 0 1 383.427 2.810 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025460 598574661 /nfs/dbraw/zinc/57/46/61/598574661.db2.gz GXPLLGMIYFTUCT-CQSZACIVSA-N 0 1 398.902 2.538 20 0 GFADMN C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736025460 598574662 /nfs/dbraw/zinc/57/46/62/598574662.db2.gz GXPLLGMIYFTUCT-CQSZACIVSA-N 0 1 398.902 2.538 20 0 GFADMN CN1CCC[C@H]1C(=O)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000736856053 598627121 /nfs/dbraw/zinc/62/71/21/598627121.db2.gz KRAZMBIUYDXGJS-IBGZPJMESA-N 0 1 394.454 2.629 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccc(F)c(Cl)c1 ZINC000737983440 599371121 /nfs/dbraw/zinc/37/11/21/599371121.db2.gz VNRRWLOBLYURMW-UHFFFAOYSA-N 0 1 383.770 2.857 20 0 GFADMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835397 599389035 /nfs/dbraw/zinc/38/90/35/599389035.db2.gz XHPSVOJQRWKLAM-OLZOCXBDSA-N 0 1 378.436 2.747 20 0 GFADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835399 599389158 /nfs/dbraw/zinc/38/91/58/599389158.db2.gz XHPSVOJQRWKLAM-QWHCGFSZSA-N 0 1 378.436 2.747 20 0 GFADMN C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357288 599406352 /nfs/dbraw/zinc/40/63/52/599406352.db2.gz FNLJYJRKXIXUJC-WBMJQRKESA-N 0 1 385.497 2.591 20 0 GFADMN COc1ccccc1[C@@H](CNc1cccc(-c2nnn[n-]2)n1)[NH+]1CCCCC1 ZINC000737141161 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C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736655997 603009943 /nfs/dbraw/zinc/00/99/43/603009943.db2.gz HRNWVCGEUYBKLK-DNVCBOLYSA-N 0 1 383.448 2.796 20 0 GFADMN C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736655997 603009947 /nfs/dbraw/zinc/00/99/47/603009947.db2.gz HRNWVCGEUYBKLK-DNVCBOLYSA-N 0 1 383.448 2.796 20 0 GFADMN CC(C)N(CCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000739054562 603030948 /nfs/dbraw/zinc/03/09/48/603030948.db2.gz AECKKWYTVCTIJA-MRXNPFEDSA-N 0 1 392.500 2.980 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000739103786 603078438 /nfs/dbraw/zinc/07/84/38/603078438.db2.gz LFLQZFHTMRJCJA-BEFAXECRSA-N 0 1 388.512 2.906 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000740520080 603081540 /nfs/dbraw/zinc/08/15/40/603081540.db2.gz VFCQABKJROZHQB-GBESFXJTSA-N 0 1 387.480 2.862 20 0 GFADMN CCC[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739308077 603131961 /nfs/dbraw/zinc/13/19/61/603131961.db2.gz ARYAUNMFEXUSIJ-CABCVRRESA-N 0 1 387.402 2.832 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000828258888 603223379 /nfs/dbraw/zinc/22/33/79/603223379.db2.gz HIEXFQOECDBGEL-UYAOXDASSA-N 0 1 381.476 2.976 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)CNC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825794075 603486235 /nfs/dbraw/zinc/48/62/35/603486235.db2.gz FYYYMTGDGJRTSE-AEFFLSMTSA-N 0 1 390.528 2.975 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CCC(N(C)C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794337 603486586 /nfs/dbraw/zinc/48/65/86/603486586.db2.gz JFIYMHWRHGGWKF-AEFFLSMTSA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645249 603538684 /nfs/dbraw/zinc/53/86/84/603538684.db2.gz MYIACQIIAYOHEQ-GJZGRUSLSA-N 0 1 392.500 2.567 20 0 GFADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645249 603538687 /nfs/dbraw/zinc/53/86/87/603538687.db2.gz MYIACQIIAYOHEQ-GJZGRUSLSA-N 0 1 392.500 2.567 20 0 GFADMN CCN(CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827094298 603543702 /nfs/dbraw/zinc/54/37/02/603543702.db2.gz YRYPLFPYOYXNSU-UHFFFAOYSA-N 0 1 386.489 2.701 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000825871766 603556383 /nfs/dbraw/zinc/55/63/83/603556383.db2.gz HFTDFZNGUDXPOH-RKNHFHLDSA-N 0 1 389.540 2.563 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000832762708 603558989 /nfs/dbraw/zinc/55/89/89/603558989.db2.gz KRGWSIDXKJCRLU-SFTDATJTSA-N 0 1 379.460 2.766 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000832762708 603558991 /nfs/dbraw/zinc/55/89/91/603558991.db2.gz KRGWSIDXKJCRLU-SFTDATJTSA-N 0 1 379.460 2.766 20 0 GFADMN COc1ccccc1N1CC[C@@H]([NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)C1=O ZINC000829633223 603609737 /nfs/dbraw/zinc/60/97/37/603609737.db2.gz OQXGGCSCRHLVFB-GOSISDBHSA-N 0 1 387.480 2.655 20 0 GFADMN C[C@H](CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1 ZINC000824921996 603653140 /nfs/dbraw/zinc/65/31/40/603653140.db2.gz KLEVHHCFJULHHB-FAEJEUNOSA-N 0 1 376.501 2.727 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000825901604 603659584 /nfs/dbraw/zinc/65/95/84/603659584.db2.gz QGPOQAWRIULEDB-OAHLLOKOSA-N 0 1 377.485 2.716 20 0 GFADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(NC(=O)[O-])CCCC3)cc2)C1 ZINC000825950099 603763154 /nfs/dbraw/zinc/76/31/54/603763154.db2.gz CJSRTHYULRUHPG-OAHLLOKOSA-N 0 1 375.469 2.926 20 0 GFADMN Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)n1 ZINC000830586145 603836563 /nfs/dbraw/zinc/83/65/63/603836563.db2.gz JVQNMVMSDGRVFZ-UHFFFAOYSA-N 0 1 385.472 2.516 20 0 GFADMN Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)C2CCC(NC(=O)[O-])CC2)n1 ZINC000830586145 603836572 /nfs/dbraw/zinc/83/65/72/603836572.db2.gz JVQNMVMSDGRVFZ-UHFFFAOYSA-N 0 1 385.472 2.516 20 0 GFADMN CC(C)(NC(=O)[O-])c1noc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000824029669 603915183 /nfs/dbraw/zinc/91/51/83/603915183.db2.gz LKLVXRABHRLLNZ-MRXNPFEDSA-N 0 1 388.468 2.834 20 0 GFADMN CC(C)(NC(=O)[O-])c1noc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000824029669 603915187 /nfs/dbraw/zinc/91/51/87/603915187.db2.gz LKLVXRABHRLLNZ-MRXNPFEDSA-N 0 1 388.468 2.834 20 0 GFADMN Cc1ccc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1NC(=O)[O-] ZINC000830204418 603925128 /nfs/dbraw/zinc/92/51/28/603925128.db2.gz FSACIAJUHCFUQH-OAHLLOKOSA-N 0 1 375.469 2.848 20 0 GFADMN CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826701137 603974021 /nfs/dbraw/zinc/97/40/21/603974021.db2.gz UDPQJUZEFGFDMA-YCPHGPKFSA-N 0 1 377.510 2.801 20 0 GFADMN CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826701137 603974025 /nfs/dbraw/zinc/97/40/25/603974025.db2.gz UDPQJUZEFGFDMA-YCPHGPKFSA-N 0 1 377.510 2.801 20 0 GFADMN C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCN(C(=O)[O-])CC1 ZINC000828426981 603981222 /nfs/dbraw/zinc/98/12/22/603981222.db2.gz SZOGHUJSZRARAD-UHFFFAOYSA-N 0 1 385.218 2.666 20 0 GFADMN C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)c2ccccc2S1 ZINC000825937286 603986258 /nfs/dbraw/zinc/98/62/58/603986258.db2.gz IIFHAJXGEWFUPQ-AWEZNQCLSA-N 0 1 377.510 2.978 20 0 GFADMN CCN(CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000827069935 603994168 /nfs/dbraw/zinc/99/41/68/603994168.db2.gz IOZYSUAGTCLHMD-QGZVFWFLSA-N 0 1 382.549 2.920 20 0 GFADMN CCN(CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(=O)[O-] ZINC000827125154 604005860 /nfs/dbraw/zinc/00/58/60/604005860.db2.gz WPPRGVVHJMXWJV-GOEBONIOSA-N 0 1 382.530 2.820 20 0 GFADMN CC[C@H](CNC(=O)N(C)C1CCN(C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000826586810 604023623 /nfs/dbraw/zinc/02/36/23/604023623.db2.gz IEQAANDMSFNFFG-GOSISDBHSA-N 0 1 388.512 2.607 20 0 GFADMN CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)[O-])CC1 ZINC000827794697 604030857 /nfs/dbraw/zinc/03/08/57/604030857.db2.gz QEKOERKJFRJWBJ-GOSISDBHSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828258110 604090550 /nfs/dbraw/zinc/09/05/50/604090550.db2.gz BDDFBUHUGIODGR-MOPGFXCFSA-N 0 1 388.512 2.540 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C[C@@H]1C ZINC000827208236 604098255 /nfs/dbraw/zinc/09/82/55/604098255.db2.gz RGWSZQFJKXOZJQ-HOCLYGCPSA-N 0 1 378.473 2.670 20 0 GFADMN Cn1c(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)nc2cc(Cl)ccc21 ZINC000830975313 604102194 /nfs/dbraw/zinc/10/21/94/604102194.db2.gz WBZKJNKYPOTNKP-UHFFFAOYSA-N 0 1 380.876 2.865 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000830817984 604144319 /nfs/dbraw/zinc/14/43/19/604144319.db2.gz FUEDACJHPHLDEI-GLJUWKHASA-N 0 1 385.468 2.929 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000828473993 604159735 /nfs/dbraw/zinc/15/97/35/604159735.db2.gz YXIHISAXHSWZBJ-CJNGLKHVSA-N 0 1 380.514 2.573 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(NC(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000828473992 604159737 /nfs/dbraw/zinc/15/97/37/604159737.db2.gz YXIHISAXHSWZBJ-BBRMVZONSA-N 0 1 380.514 2.573 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000825273407 604215538 /nfs/dbraw/zinc/21/55/38/604215538.db2.gz PJYDVXZEEBOTAO-WFASDCNBSA-N 0 1 388.493 2.777 20 0 GFADMN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823713334 604229946 /nfs/dbraw/zinc/22/99/46/604229946.db2.gz NOJDXMYMPNJTNM-CYBMUJFWSA-N 0 1 389.452 2.597 20 0 GFADMN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825251897 604251506 /nfs/dbraw/zinc/25/15/06/604251506.db2.gz AZVXFFCCJKIVGY-UXLLHSPISA-N 0 1 386.496 2.583 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000825217094 604273979 /nfs/dbraw/zinc/27/39/79/604273979.db2.gz CNBIPFHXMKGUSC-UKBAYJJMSA-N 0 1 388.512 2.727 20 0 GFADMN CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)[C@H](C)C1 ZINC000827206885 604279773 /nfs/dbraw/zinc/27/97/73/604279773.db2.gz KBDBZTRNQCQIGZ-PBHICJAKSA-N 0 1 378.473 2.527 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830822589 604317984 /nfs/dbraw/zinc/31/79/84/604317984.db2.gz AYHIQGSZZCQIIH-WMLDXEAASA-N 0 1 385.468 2.608 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000740595791 604369897 /nfs/dbraw/zinc/36/98/97/604369897.db2.gz VNARDKPVOKCFPI-DOMZBBRYSA-N 0 1 386.279 2.999 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000740595791 604369902 /nfs/dbraw/zinc/36/99/02/604369902.db2.gz VNARDKPVOKCFPI-DOMZBBRYSA-N 0 1 386.279 2.999 20 0 GFADMN Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833059118 604389195 /nfs/dbraw/zinc/38/91/95/604389195.db2.gz 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LZUUWEWEWRWVQA-MSOLQXFVSA-N 0 1 387.480 2.532 20 0 GFADMN O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000834132955 606018794 /nfs/dbraw/zinc/01/87/94/606018794.db2.gz IBSVMTSTNUETSD-NSHDSACASA-N 0 1 376.429 2.749 20 0 GFADMN Cl/C=C(\Cl)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822563461 606101452 /nfs/dbraw/zinc/10/14/52/606101452.db2.gz JZDNWZJGSXMWDM-NTMALXAHSA-N 0 1 396.238 2.556 20 0 GFADMN C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)[N@H+](C)Cc1ccccc1 ZINC000833789789 606104434 /nfs/dbraw/zinc/10/44/34/606104434.db2.gz LMTRCURBIYWJIE-PBHICJAKSA-N 0 1 382.464 2.666 20 0 GFADMN C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)[O-])CC2)[N@@H+](C)Cc1ccccc1 ZINC000833789789 606104435 /nfs/dbraw/zinc/10/44/35/606104435.db2.gz LMTRCURBIYWJIE-PBHICJAKSA-N 0 1 382.464 2.666 20 0 GFADMN Cc1cc(F)ccc1N(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)N(C)C ZINC000822205692 606155837 /nfs/dbraw/zinc/15/58/37/606155837.db2.gz FJKGVYYHLCLNFL-AWEZNQCLSA-N 0 1 382.443 2.798 20 0 GFADMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822231023 606212340 /nfs/dbraw/zinc/21/23/40/606212340.db2.gz XWOMSMXITJLOEU-UHFFFAOYSA-N 0 1 399.354 2.700 20 0 GFADMN C[C@@H](CN(C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccccc1 ZINC000820254689 606318388 /nfs/dbraw/zinc/31/83/88/606318388.db2.gz UWYMXJQVJVECJI-XJKSGUPXSA-N 0 1 382.493 2.769 20 0 GFADMN C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c2cccs2)CCO1 ZINC000820752814 606417674 /nfs/dbraw/zinc/41/76/74/606417674.db2.gz RYLOYXFDVCDXDW-TZMCWYRMSA-N 0 1 390.538 2.541 20 0 GFADMN C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c2cccs2)CCO1 ZINC000820752814 606417676 /nfs/dbraw/zinc/41/76/76/606417676.db2.gz RYLOYXFDVCDXDW-TZMCWYRMSA-N 0 1 390.538 2.541 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819939944 606422742 /nfs/dbraw/zinc/42/27/42/606422742.db2.gz LUDYXYULTIRKRO-YPMHNXCESA-N 0 1 378.502 2.711 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819939944 606422745 /nfs/dbraw/zinc/42/27/45/606422745.db2.gz LUDYXYULTIRKRO-YPMHNXCESA-N 0 1 378.502 2.711 20 0 GFADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)ccc2NC1=O ZINC000821000924 606425667 /nfs/dbraw/zinc/42/56/67/606425667.db2.gz MADPQSBDLWDBIK-HZMBPMFUSA-N 0 1 384.465 2.889 20 0 GFADMN CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)ccc2NC1=O ZINC000821000924 606425669 /nfs/dbraw/zinc/42/56/69/606425669.db2.gz MADPQSBDLWDBIK-HZMBPMFUSA-N 0 1 384.465 2.889 20 0 GFADMN C[C@@H]1CC/C(=C/C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678220 606617185 /nfs/dbraw/zinc/61/71/85/606617185.db2.gz TZFYIEDMQHHEDV-VVZNPABPSA-N 0 1 380.496 2.647 20 0 GFADMN C[C@]1(c2ccccc2)CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633371 606718120 /nfs/dbraw/zinc/71/81/20/606718120.db2.gz AUGYNMKZOIJWAM-UZLBHIALSA-N 0 1 394.504 2.697 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC(CC(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821971006 606768839 /nfs/dbraw/zinc/76/88/39/606768839.db2.gz VOQVQXQXSOAPJA-UHFFFAOYSA-N 0 1 376.486 2.588 20 0 GFADMN CC(C)(C)N(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000819914534 606794346 /nfs/dbraw/zinc/79/43/46/606794346.db2.gz VTSJBJGYQMKWIN-UHFFFAOYSA-N 0 1 396.470 2.923 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCc3c2cccc3Cl)cc1-c1nn[nH]n1 ZINC000821970821 606857372 /nfs/dbraw/zinc/85/73/72/606857372.db2.gz SSHDYDLQEVHAEG-UHFFFAOYSA-N 0 1 388.840 2.546 20 0 GFADMN O=S(=O)(Nc1cc(Cl)ccc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823583294 606865515 /nfs/dbraw/zinc/86/55/15/606865515.db2.gz LMFNXGXVVWHMQB-UHFFFAOYSA-N 0 1 389.746 2.738 20 0 GFADMN Cc1coc(-c2cccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)c2)n1 ZINC000822403918 606937763 /nfs/dbraw/zinc/93/77/63/606937763.db2.gz ZWMNNDCAOZJSFU-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596681 606970161 /nfs/dbraw/zinc/97/01/61/606970161.db2.gz RHCORZUGEQKVOH-CQSZACIVSA-N 0 1 390.463 2.695 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596681 606970162 /nfs/dbraw/zinc/97/01/62/606970162.db2.gz RHCORZUGEQKVOH-CQSZACIVSA-N 0 1 390.463 2.695 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@@H]32)cc1 ZINC000823780981 607033426 /nfs/dbraw/zinc/03/34/26/607033426.db2.gz XZQOIKUQSXKOSB-MJGOQNOKSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@@H]32)cc1 ZINC000823780981 607033428 /nfs/dbraw/zinc/03/34/28/607033428.db2.gz XZQOIKUQSXKOSB-MJGOQNOKSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@@H]32)cc1 ZINC000823780981 607033429 /nfs/dbraw/zinc/03/34/29/607033429.db2.gz XZQOIKUQSXKOSB-MJGOQNOKSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@@H]32)cc1 ZINC000823780981 607033431 /nfs/dbraw/zinc/03/34/31/607033431.db2.gz XZQOIKUQSXKOSB-MJGOQNOKSA-N 0 1 375.480 2.753 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000821122909 607043055 /nfs/dbraw/zinc/04/30/55/607043055.db2.gz BPNBCIQPNOENQZ-UHFFFAOYSA-N 0 1 389.419 2.782 20 0 GFADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000820426666 607057155 /nfs/dbraw/zinc/05/71/55/607057155.db2.gz MEYGWKHXFRONDE-LBPRGKRZSA-N 0 1 382.399 2.813 20 0 GFADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000820426371 607058618 /nfs/dbraw/zinc/05/86/18/607058618.db2.gz IWTSXELKRBHROR-CYBMUJFWSA-N 0 1 380.427 2.983 20 0 GFADMN c1nc2ccccn2c1CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823762871 607065101 /nfs/dbraw/zinc/06/51/01/607065101.db2.gz VNSVXLJNFHMXEV-UHFFFAOYSA-N 0 1 375.436 2.558 20 0 GFADMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1c[nH]nc1-c1c(F)cccc1F ZINC000822761198 607228972 /nfs/dbraw/zinc/22/89/72/607228972.db2.gz BRUZGZXATRUTLY-UHFFFAOYSA-N 0 1 385.353 2.964 20 0 GFADMN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000825976473 608122259 /nfs/dbraw/zinc/12/22/59/608122259.db2.gz KIUYZGHCMOPRDY-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN O=C([C@H]1CC12CCN(Cc1ccc(-c3nn[nH]n3)cc1F)CC2)N1CCCCC1 ZINC000826398548 608212476 /nfs/dbraw/zinc/21/24/76/608212476.db2.gz ZCLMTSTUWIWXLF-QGZVFWFLSA-N 0 1 398.486 2.620 20 0 GFADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826402538 608249304 /nfs/dbraw/zinc/24/93/04/608249304.db2.gz WNLRCMVKHXYKPU-ZBTGYSDGSA-N 0 1 379.420 2.681 20 0 GFADMN COc1cccc(-c2nc(C)c(C(=O)OCc3cccc(-c4nn[nH]n4)c3)[nH]2)c1 ZINC000826213694 608256450 /nfs/dbraw/zinc/25/64/50/608256450.db2.gz IOBULXZJYIMSTG-UHFFFAOYSA-N 0 1 390.403 2.931 20 0 GFADMN COc1cc([C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC000826177514 608285554 /nfs/dbraw/zinc/28/55/54/608285554.db2.gz LMKNDJMOZNRFLQ-LLVKDONJSA-N 0 1 387.415 2.882 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824886437 608413016 /nfs/dbraw/zinc/41/30/16/608413016.db2.gz YZLUEQBFKLCVPZ-STQMWFEESA-N 0 1 390.463 2.741 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(-c2nn[n-]n2)c1F ZINC000824886437 608413020 /nfs/dbraw/zinc/41/30/20/608413020.db2.gz YZLUEQBFKLCVPZ-STQMWFEESA-N 0 1 390.463 2.741 20 0 GFADMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826283134 608443039 /nfs/dbraw/zinc/44/30/39/608443039.db2.gz LGNPLGUGDKDQPD-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824564111 608443897 /nfs/dbraw/zinc/44/38/97/608443897.db2.gz RRXDBOQVSXYKOB-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN CC(C)Oc1cccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824334266 608454283 /nfs/dbraw/zinc/45/42/83/608454283.db2.gz TYPCHVBMGDNPHN-OAHLLOKOSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555111 608459509 /nfs/dbraw/zinc/45/95/09/608459509.db2.gz USSAUKNBYRULOZ-OAHLLOKOSA-N 0 1 376.464 2.709 20 0 GFADMN Cc1cc(C)c(CCNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826263394 608461598 /nfs/dbraw/zinc/46/15/98/608461598.db2.gz YVRSBAJUTKENDX-QGZVFWFLSA-N 0 1 392.507 2.801 20 0 GFADMN COc1ccccc1[C@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219108 608465991 /nfs/dbraw/zinc/46/59/91/608465991.db2.gz TUMVUIFVBWWWBW-GJZGRUSLSA-N 0 1 394.479 2.746 20 0 GFADMN c1ccc(-c2cccc(CN3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)nc1 ZINC000826519343 608517901 /nfs/dbraw/zinc/51/79/01/608517901.db2.gz UZNUZVSKRATZNA-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000826412136 608529757 /nfs/dbraw/zinc/52/97/57/608529757.db2.gz CPGIZZUWLXXURN-UHFFFAOYSA-N 0 1 386.818 2.877 20 0 GFADMN c1ccc([C@@H]2C[C@@H]2C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1 ZINC000826520626 608590907 /nfs/dbraw/zinc/59/09/07/608590907.db2.gz OPISHEGXKTWNBK-SJORKVTESA-N 0 1 391.479 2.658 20 0 GFADMN COc1cc(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc(OC)c1 ZINC000826179216 608603229 /nfs/dbraw/zinc/60/32/29/608603229.db2.gz DXELSHVUSAVADD-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1)C(=O)OC(C)(C)C ZINC000825908752 608611678 /nfs/dbraw/zinc/61/16/78/608611678.db2.gz LPIGKYHROPXRGQ-ZDUSSCGKSA-N 0 1 376.461 2.539 20 0 GFADMN CN(C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)C(=O)OC(C)(C)C ZINC000825908752 608611682 /nfs/dbraw/zinc/61/16/82/608611682.db2.gz LPIGKYHROPXRGQ-ZDUSSCGKSA-N 0 1 376.461 2.539 20 0 GFADMN CN(C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)C(=O)OC(C)(C)C ZINC000825908752 608611683 /nfs/dbraw/zinc/61/16/83/608611683.db2.gz LPIGKYHROPXRGQ-ZDUSSCGKSA-N 0 1 376.461 2.539 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1cc(-c2nn[nH]n2)cs1 ZINC000824107996 608638477 /nfs/dbraw/zinc/63/84/77/608638477.db2.gz ANNVZKDDIWDGPU-ZDUSSCGKSA-N 0 1 378.502 2.807 20 0 GFADMN COc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1OC ZINC000826194685 608681256 /nfs/dbraw/zinc/68/12/56/608681256.db2.gz SRBXMQMPHLLFES-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cc2ccccc2s1 ZINC000825000772 608834534 /nfs/dbraw/zinc/83/45/34/608834534.db2.gz URQJCGLSBYQQOW-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cc2ccccc2s1 ZINC000825000772 608834541 /nfs/dbraw/zinc/83/45/41/608834541.db2.gz URQJCGLSBYQQOW-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cc2ccccc2s1 ZINC000825000772 608834543 /nfs/dbraw/zinc/83/45/43/608834543.db2.gz URQJCGLSBYQQOW-CYBMUJFWSA-N 0 1 392.492 2.582 20 0 GFADMN c1ccc2c(c1)CC[C@@H]2C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826523584 609140227 /nfs/dbraw/zinc/14/02/27/609140227.db2.gz QPDHSXIDXQNNST-MRXNPFEDSA-N 0 1 391.479 2.584 20 0 GFADMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC000825669447 609256385 /nfs/dbraw/zinc/25/63/85/609256385.db2.gz XYKAIPLVPITTMP-GFCCVEGCSA-N 0 1 389.456 2.650 20 0 GFADMN C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824613885 609327432 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GFADMN COCCN1CCCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000299227951 563378371 /nfs/dbraw/zinc/37/83/71/563378371.db2.gz CQSYRMAQIXOMGR-UHFFFAOYSA-N 0 1 380.286 2.725 20 0 GFADMN CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000374812125 563383091 /nfs/dbraw/zinc/38/30/91/563383091.db2.gz ZSACQWUTRHVMCC-CQSZACIVSA-N 0 1 380.539 2.753 20 0 GFADMN CS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000282167190 563400321 /nfs/dbraw/zinc/40/03/21/563400321.db2.gz PHHMZDMMEOKJSG-LLVKDONJSA-N 0 1 375.475 2.551 20 0 GFADMN Cc1ccc(C2=NO[C@H](CNC(=O)CSc3n[nH]c(=S)s3)C2)cc1 ZINC000282183562 563401111 /nfs/dbraw/zinc/40/11/11/563401111.db2.gz OYURDAVAJSSAFV-NSHDSACASA-N 0 1 380.520 2.537 20 0 GFADMN Cc1cc(Br)cnc1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000301621290 563408851 /nfs/dbraw/zinc/40/88/51/563408851.db2.gz NAOWKHBDRAQUAV-UHFFFAOYSA-N 0 1 376.302 2.911 20 0 GFADMN CNC(=O)[C@@]1(C)CCN(c2ccnc3cc(OC)c(Br)cc32)C1 ZINC000425253240 563415070 /nfs/dbraw/zinc/41/50/70/563415070.db2.gz 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ZINC000449377117 564183077 /nfs/dbraw/zinc/18/30/77/564183077.db2.gz NXPQKNBEEUVHGL-UHFFFAOYSA-N 0 1 395.688 2.941 20 0 GFADMN CSC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000505518759 564184404 /nfs/dbraw/zinc/18/44/04/564184404.db2.gz AZOGVRSSAGWTMY-QMTHXVAHSA-N 0 1 380.901 2.748 20 0 GFADMN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000538454059 564191092 /nfs/dbraw/zinc/19/10/92/564191092.db2.gz RAZDIAZIQVMIMN-UHFFFAOYSA-N 0 1 378.483 2.508 20 0 GFADMN COc1cc(Cl)c(CN2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481652 564193576 /nfs/dbraw/zinc/19/35/76/564193576.db2.gz FWCNEYQUJTURBU-DIFFPNOSSA-N 0 1 386.279 2.955 20 0 GFADMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3ccn(C)c32)cc1 ZINC000471577670 564198671 /nfs/dbraw/zinc/19/86/71/564198671.db2.gz LIZJCTLMAZZHTJ-UHFFFAOYSA-N 0 1 378.475 2.773 20 0 GFADMN Cc1noc2ncc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc12 ZINC000506521214 564203673 /nfs/dbraw/zinc/20/36/73/564203673.db2.gz KWFAQANYMDAJDN-UHFFFAOYSA-N 0 1 380.813 2.808 20 0 GFADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(OC)cc2)c1OC ZINC000506552948 564204611 /nfs/dbraw/zinc/20/46/11/564204611.db2.gz QSTDQYPHZNLMKZ-UHFFFAOYSA-N 0 1 384.841 2.518 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000471956003 564207965 /nfs/dbraw/zinc/20/79/65/564207965.db2.gz DIIXEDBFGOKQCA-HNNXBMFYSA-N 0 1 385.302 2.687 20 0 GFADMN CS(=O)(=O)NCc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1 ZINC000506652622 564208395 /nfs/dbraw/zinc/20/83/95/564208395.db2.gz HBGZFFWBYSZTRQ-UHFFFAOYSA-N 0 1 396.515 2.751 20 0 GFADMN CN(C)c1ccncc1C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000506668807 564209156 /nfs/dbraw/zinc/20/91/56/564209156.db2.gz JBDURUKEAVJYLT-ZDUSSCGKSA-N 0 1 380.217 2.913 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccsc2)c1)n1cccn1 ZINC000506677257 564209234 /nfs/dbraw/zinc/20/92/34/564209234.db2.gz ZOWJSVXRRJTOCO-LBPRGKRZSA-N 0 1 376.463 2.945 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cn1 ZINC000471966173 564209292 /nfs/dbraw/zinc/20/92/92/564209292.db2.gz 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/nfs/dbraw/zinc/22/11/71/564221171.db2.gz ASJNRWGQCPZSSN-JSGCOSHPSA-N 0 1 387.343 2.969 20 0 GFADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472474882 564223880 /nfs/dbraw/zinc/22/38/80/564223880.db2.gz JJJTXIUOIPDDMB-CVEARBPZSA-N 0 1 399.248 2.777 20 0 GFADMN COCCOC[C@H](O)CN(Cc1cc(Br)ccc1F)C(C)C ZINC000450304354 564226063 /nfs/dbraw/zinc/22/60/63/564226063.db2.gz QNDAOWCCBKBAAM-OAHLLOKOSA-N 0 1 378.282 2.823 20 0 GFADMN Cc1ccc(C(=O)N2CCN([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000564295472 564227524 /nfs/dbraw/zinc/22/75/24/564227524.db2.gz COFBOLJQMYESMJ-CYBMUJFWSA-N 0 1 384.307 2.728 20 0 GFADMN CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000472754452 564232411 /nfs/dbraw/zinc/23/24/11/564232411.db2.gz QJIMOXMYRBDNPZ-WFASDCNBSA-N 0 1 375.332 2.901 20 0 GFADMN C[NH+]1CCC(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000564434171 564233750 /nfs/dbraw/zinc/23/37/50/564233750.db2.gz NFOYYNGCOKLGTP-UHFFFAOYSA-N 0 1 378.270 2.775 20 0 GFADMN CC[C@@H](C)N[C@@H](CNS(=O)(=O)c1cccc2nsnc21)c1ccco1 ZINC000564478407 564235936 /nfs/dbraw/zinc/23/59/36/564235936.db2.gz SVRLLMBXPYLEKM-YPMHNXCESA-N 0 1 380.495 2.692 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](C)Cc2ccncc2)sc1Br ZINC000540040957 564237984 /nfs/dbraw/zinc/23/79/84/564237984.db2.gz JNWRQJXATNUBKJ-QMMMGPOBSA-N 0 1 376.301 2.519 20 0 GFADMN C[C@@H]1[C@H](C)N(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CCN1C ZINC000540052831 564238265 /nfs/dbraw/zinc/23/82/65/564238265.db2.gz KHDCVIVCXKNNAO-KGLIPLIRSA-N 0 1 379.551 2.738 20 0 GFADMN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000507906033 564247231 /nfs/dbraw/zinc/24/72/31/564247231.db2.gz ZZDYGQYYGMFTPV-CYBMUJFWSA-N 0 1 386.495 2.688 20 0 GFADMN C[C@H](N(C)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1)C(C)(C)C ZINC000564820978 564250768 /nfs/dbraw/zinc/25/07/68/564250768.db2.gz IHKZMCCOCAAKDG-JTQLQIEISA-N 0 1 395.301 2.835 20 0 GFADMN O=c1[n-]nc([C@@H]2CCC[N@H+](CCOc3cc(F)cc(Br)c3)C2)o1 ZINC000450895183 564254212 /nfs/dbraw/zinc/25/42/12/564254212.db2.gz IOOGMIRCHAPXKP-SNVBAGLBSA-N 0 1 386.221 2.935 20 0 GFADMN COC(=O)c1cc(NS(=O)(=O)c2cccnc2)c(C)cc1Br ZINC000508144549 564256329 /nfs/dbraw/zinc/25/63/29/564256329.db2.gz RMNHHJKGWGRUIW-UHFFFAOYSA-N 0 1 385.239 2.740 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)Nc2cccnc2N(C)C)c1 ZINC000450994469 564260983 /nfs/dbraw/zinc/26/09/83/564260983.db2.gz CVTIRGDXGOPAIC-UHFFFAOYSA-N 0 1 375.372 2.976 20 0 GFADMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000565060388 564264512 /nfs/dbraw/zinc/26/45/12/564264512.db2.gz ATWMSEWUEASPIJ-JQWIXIFHSA-N 0 1 386.539 2.505 20 0 GFADMN COC(=O)c1ncc(NS(=O)(=O)C[C@H](OC)c2ccccc2)cc1Cl ZINC000451029541 564264624 /nfs/dbraw/zinc/26/46/24/564264624.db2.gz RTTVBMAVGIAVDW-AWEZNQCLSA-N 0 1 384.841 2.651 20 0 GFADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCOCC2(CC2)C1 ZINC000541127707 564266879 /nfs/dbraw/zinc/26/68/79/564266879.db2.gz OBIAFDFNXFZPQM-CQSZACIVSA-N 0 1 381.314 2.908 20 0 GFADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(F)c1Br ZINC000508626762 564268834 /nfs/dbraw/zinc/26/88/34/564268834.db2.gz YVYZASXPYILZAY-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCc2c1cc(F)cc2F ZINC000451064307 564268845 /nfs/dbraw/zinc/26/88/45/564268845.db2.gz OKGUYKVGRICEGV-LBPRGKRZSA-N 0 1 387.326 2.541 20 0 GFADMN Cc1cc(C)c(Br)c(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000474212558 564270524 /nfs/dbraw/zinc/27/05/24/564270524.db2.gz DJOKJKNEDOUOSI-AWEZNQCLSA-N 0 1 383.330 2.983 20 0 GFADMN CC(C)OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000474220354 564270742 /nfs/dbraw/zinc/27/07/42/564270742.db2.gz NRBODQMVOXSBAN-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN CCN(CC)[C@@H](CNS(=O)(=O)N1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000508875819 564275044 /nfs/dbraw/zinc/27/50/44/564275044.db2.gz SNHCWPQONDOMIO-HNNXBMFYSA-N 0 1 379.448 2.628 20 0 GFADMN CN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C(C)(C)C1 ZINC000474354063 564275326 /nfs/dbraw/zinc/27/53/26/564275326.db2.gz 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C[C@@H]1C[C@H](NC(=O)NC(C)(C)COc2ncccc2Br)CC[N@H+]1C ZINC000542748822 564323961 /nfs/dbraw/zinc/32/39/61/564323961.db2.gz UPPWYIWPWHRBPO-CHWSQXEVSA-N 0 1 399.333 2.783 20 0 GFADMN COC(=O)[C@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(Br)cc1 ZINC000566435082 564327776 /nfs/dbraw/zinc/32/77/76/564327776.db2.gz DUXPYYPBNOANDA-OAHLLOKOSA-N 0 1 383.286 2.511 20 0 GFADMN CC1(C)CCN(CC(=O)N[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000566465846 564328471 /nfs/dbraw/zinc/32/84/71/564328471.db2.gz MBPARTSBKKFUBC-ZBFHGGJFSA-N 0 1 382.302 2.522 20 0 GFADMN CCN(CC)CCS(=O)(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000451596311 564329107 /nfs/dbraw/zinc/32/91/07/564329107.db2.gz YERIVQLNEZXHSL-UHFFFAOYSA-N 0 1 393.322 2.618 20 0 GFADMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000476264306 564332103 /nfs/dbraw/zinc/33/21/03/564332103.db2.gz VEKAJORRRMNCTG-UHFFFAOYSA-N 0 1 385.825 2.945 20 0 GFADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(Br)c2)cn1 ZINC000542939857 564332359 /nfs/dbraw/zinc/33/23/59/564332359.db2.gz 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O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(Br)cc2c1OCC2 ZINC000543660038 564357964 /nfs/dbraw/zinc/35/79/64/564357964.db2.gz ZZQAZFKTVAJSGQ-UHFFFAOYSA-N 0 1 398.234 2.914 20 0 GFADMN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1cncc(Br)c1 ZINC000476925608 564359573 /nfs/dbraw/zinc/35/95/73/564359573.db2.gz JVLSYWJAINMQQI-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN COc1ccc(Cl)cc1CS(=O)(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000511164449 564360412 /nfs/dbraw/zinc/36/04/12/564360412.db2.gz AKYTWNPPLYXLSF-CQSZACIVSA-N 0 1 384.889 2.832 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)c1 ZINC000477136646 564366457 /nfs/dbraw/zinc/36/64/57/564366457.db2.gz LXRCHNPKDNSLOM-HUUCEWRRSA-N 0 1 390.958 2.549 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1OCC(F)F)c1ccc2c(c1)OCO2 ZINC000477156978 564367416 /nfs/dbraw/zinc/36/74/16/564367416.db2.gz CPGZIGYMIXCVQS-UHFFFAOYSA-N 0 1 375.324 2.999 20 0 GFADMN COC[C@]1(CO)CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000451921380 564367495 /nfs/dbraw/zinc/36/74/95/564367495.db2.gz 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2.992 20 0 GFADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(Br)c1[O-] ZINC000533112097 564954990 /nfs/dbraw/zinc/95/49/90/564954990.db2.gz GUZSNISFECSORZ-UHFFFAOYSA-N 0 1 385.302 2.585 20 0 GFADMN COC(=O)c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)c(Br)c1 ZINC000560260929 564954999 /nfs/dbraw/zinc/95/49/99/564954999.db2.gz FAQLCGGBSKQZLQ-CYBMUJFWSA-N 0 1 393.285 2.739 20 0 GFADMN COc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000467094344 564955778 /nfs/dbraw/zinc/95/57/78/564955778.db2.gz YCVIILPLLRIUEK-XPTSAGLGSA-N 0 1 386.279 2.539 20 0 GFADMN COc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1Cl ZINC000467094338 564955841 /nfs/dbraw/zinc/95/58/41/564955841.db2.gz YCVIILPLLRIUEK-LKFCYVNXSA-N 0 1 386.279 2.539 20 0 GFADMN COc1cccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c1 ZINC000467317633 564961129 /nfs/dbraw/zinc/96/11/29/564961129.db2.gz CBYWSKUMRGIVFW-UHFFFAOYSA-N 0 1 398.238 2.840 20 0 GFADMN Cc1cc(S(=O)(=O)NCCN[C@H](c2cncc(F)c2)C2CC2)c(C)s1 ZINC000467373823 564961893 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564979991 /nfs/dbraw/zinc/97/99/91/564979991.db2.gz LAZGJMZREMETAW-OKILXGFUSA-N 0 1 390.285 2.993 20 0 GFADMN C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000468488761 564985146 /nfs/dbraw/zinc/98/51/46/564985146.db2.gz OLGUKHXUURRWAG-OAHLLOKOSA-N 0 1 387.933 2.562 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)NCc1ccc(Br)cc1Cl ZINC000502032791 564990380 /nfs/dbraw/zinc/99/03/80/564990380.db2.gz AWQCZLOIKVCICV-LLVKDONJSA-N 0 1 375.694 2.687 20 0 GFADMN CN1CCN(c2cccc(C(=O)Nc3cccc(Br)c3)n2)CC1 ZINC000502056719 564990874 /nfs/dbraw/zinc/99/08/74/564990874.db2.gz KZGBOUUIIARZRU-UHFFFAOYSA-N 0 1 375.270 2.848 20 0 GFADMN Cc1cc(I)ccc1NC(=O)[C@H](C)CN1CCOCC1 ZINC000502076786 564991121 /nfs/dbraw/zinc/99/11/21/564991121.db2.gz IVVYHCUYGGRABD-GFCCVEGCSA-N 0 1 388.249 2.506 20 0 GFADMN CNC(=O)[C@H](C)CN(C)Cc1ccc(I)cc1Cl ZINC000502257870 564994938 /nfs/dbraw/zinc/99/49/38/564994938.db2.gz SQUVNNWLOAHLBH-SECBINFHSA-N 0 1 380.657 2.759 20 0 GFADMN Cc1csc(C(=O)N(C)[C@H]2CN3CCC2CC3)c1I ZINC000468832792 564995290 /nfs/dbraw/zinc/99/52/90/564995290.db2.gz GCEDZQZDXOIXJN-NSHDSACASA-N 0 1 390.290 2.827 20 0 GFADMN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000534893215 564999270 /nfs/dbraw/zinc/99/92/70/564999270.db2.gz RCFFWCSGCKYCRI-UHFFFAOYSA-N 0 1 394.313 2.783 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000534907413 564999727 /nfs/dbraw/zinc/99/97/27/564999727.db2.gz SSTWGPAOAQLOAB-UONOGXRCSA-N 0 1 382.473 2.513 20 0 GFADMN CC(=O)NCCc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000469111502 565006008 /nfs/dbraw/zinc/00/60/08/565006008.db2.gz REFPYNZUQGPCIA-ZDUSSCGKSA-N 0 1 380.535 2.681 20 0 GFADMN COCCOc1c(Cl)cc(S(=O)(=O)Nc2ncccn2)cc1Cl ZINC000561758603 565008224 /nfs/dbraw/zinc/00/82/24/565008224.db2.gz WKRCSAAIJDRWHL-UHFFFAOYSA-N 0 1 378.237 2.609 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C[C@H](C)S1(=O)=O ZINC000561774996 565008886 /nfs/dbraw/zinc/00/88/86/565008886.db2.gz CBUWUCZUWMYCSR-VHSXEESVSA-N 0 1 387.914 2.829 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1Cl ZINC000503223606 565014460 /nfs/dbraw/zinc/01/44/60/565014460.db2.gz OAHLJUHYNYLZPW-YPMHNXCESA-N 0 1 399.365 2.668 20 0 GFADMN O=C(CC1CCCC1)NCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503453079 565020470 /nfs/dbraw/zinc/02/04/70/565020470.db2.gz HNTFLXBYYIPOPN-UHFFFAOYSA-N 0 1 393.285 2.752 20 0 GFADMN COC(=O)[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccccc1 ZINC000503455658 565020499 /nfs/dbraw/zinc/02/04/99/565020499.db2.gz SHFJKFKYVMVLFO-CQSZACIVSA-N 0 1 388.221 2.970 20 0 GFADMN O=C(N[C@@H](CO)c1cccc(F)c1)c1cc(Br)cc2nc[nH]c21 ZINC000503519712 565021673 /nfs/dbraw/zinc/02/16/73/565021673.db2.gz URFODSPCNHGIJN-AWEZNQCLSA-N 0 1 378.201 2.928 20 0 GFADMN COCCc1cc(NC(=O)c2cc(Br)cc3nc[nH]c32)n(C)n1 ZINC000503670253 565025524 /nfs/dbraw/zinc/02/55/24/565025524.db2.gz JJOFMZBJLPXXCA-UHFFFAOYSA-N 0 1 378.230 2.500 20 0 GFADMN O=C(COc1ccc(Cl)cc1Cl)N1CCN(CC2(O)CCCC2)CC1 ZINC000470002005 565034385 /nfs/dbraw/zinc/03/43/85/565034385.db2.gz 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565048974 /nfs/dbraw/zinc/04/89/74/565048974.db2.gz YFNFCRJDDCKCMY-UHFFFAOYSA-N 0 1 378.479 2.637 20 0 GFADMN COc1ccc(-c2nc(CNS(=O)(=O)c3cc(C)c(C)s3)n[nH]2)cc1 ZINC000536898304 565048976 /nfs/dbraw/zinc/04/89/76/565048976.db2.gz YFNFCRJDDCKCMY-UHFFFAOYSA-N 0 1 378.479 2.637 20 0 GFADMN Cc1cccc2nc(CNC[C@@H](O)COc3cccc(Br)c3)cn21 ZINC000563000270 565051455 /nfs/dbraw/zinc/05/14/55/565051455.db2.gz UFIHLSKEUSDPSJ-MRXNPFEDSA-N 0 1 390.281 2.935 20 0 GFADMN O=S(=O)(CCN[C@H](CCO)c1ccccc1)c1ccc(Br)cc1 ZINC000537029360 565051602 /nfs/dbraw/zinc/05/16/02/565051602.db2.gz RMFDQCULIARKDF-QGZVFWFLSA-N 0 1 398.322 2.936 20 0 GFADMN CCCCN(CCCO)CC(=O)Nc1cccc(I)c1 ZINC000537125990 565053129 /nfs/dbraw/zinc/05/31/29/565053129.db2.gz RIXLQLVIAXNXIC-UHFFFAOYSA-N 0 1 390.265 2.714 20 0 GFADMN O=S(=O)(NC[C@H]1NCCc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000563138001 565056750 /nfs/dbraw/zinc/05/67/50/565056750.db2.gz FHSGKPPGJJRXMO-GFCCVEGCSA-N 0 1 376.425 2.932 20 0 GFADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406140 565058194 /nfs/dbraw/zinc/05/81/94/565058194.db2.gz DLFMUERNTXQLCN-XFBWCDHKSA-N 0 1 388.892 2.530 20 0 GFADMN CCOC(=O)c1nc[nH]c1NC(=O)CCc1ccc(OC)c(Br)c1 ZINC000537753649 565062463 /nfs/dbraw/zinc/06/24/63/565062463.db2.gz YXEBEMJVUUZYQX-UHFFFAOYSA-N 0 1 396.241 2.929 20 0 GFADMN CCOC(=O)c1nc[nH]c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000537752826 565062511 /nfs/dbraw/zinc/06/25/11/565062511.db2.gz UAZXPLPNOZRLHO-VIFPVBQESA-N 0 1 382.214 2.755 20 0 GFADMN O=C(NCc1ncn(-c2ccccc2)n1)c1n[nH]c2ccc(Br)cc21 ZINC000584312888 565076210 /nfs/dbraw/zinc/07/62/10/565076210.db2.gz SZWZKLZSNALJQF-UHFFFAOYSA-N 0 1 397.236 2.836 20 0 GFADMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626624 565076561 /nfs/dbraw/zinc/07/65/61/565076561.db2.gz LDYDDTOGHVTYSX-XNJGSVPQSA-N 0 1 376.280 2.613 20 0 GFADMN O=C(CCCc1nn[nH]n1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000635850414 565077846 /nfs/dbraw/zinc/07/78/46/565077846.db2.gz 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O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCOCC(F)(F)C1 ZINC000685862782 565128060 /nfs/dbraw/zinc/12/80/60/565128060.db2.gz CHQSXFNGJHXONH-UHFFFAOYSA-N 0 1 386.196 2.947 20 0 GFADMN Cc1cn[nH]c1CN(CCN1CCOCC1)Cc1sccc1Br ZINC000685847956 565128082 /nfs/dbraw/zinc/12/80/82/565128082.db2.gz XPEULXQLQGYMEU-UHFFFAOYSA-N 0 1 399.358 2.877 20 0 GFADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1cccc(Br)c1F ZINC000657903754 565136285 /nfs/dbraw/zinc/13/62/85/565136285.db2.gz GETIRCOSXJSRBP-LBPRGKRZSA-N 0 1 398.276 2.660 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000637184363 565143072 /nfs/dbraw/zinc/14/30/72/565143072.db2.gz KAWIGTZAIBFYHS-SNPRPXQTSA-N 0 1 388.269 2.582 20 0 GFADMN C[C@@H](Cn1cncn1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000657999470 565143942 /nfs/dbraw/zinc/14/39/42/565143942.db2.gz INJISBADRJGROU-TVQRCGJNSA-N 0 1 393.207 2.771 20 0 GFADMN C[C@@H]1COCCN1C1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000615087911 565144021 /nfs/dbraw/zinc/14/40/21/565144021.db2.gz 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Cc1nn(C)c(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1Br ZINC000641728600 565397431 /nfs/dbraw/zinc/39/74/31/565397431.db2.gz VTCRLGIICMKCEL-CYBMUJFWSA-N 0 1 377.286 2.666 20 0 GFADMN C[C@@H]1OCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621305537 565417520 /nfs/dbraw/zinc/41/75/20/565417520.db2.gz ANRCCTILSDFBMZ-JOYOIKCWSA-N 0 1 384.242 2.638 20 0 GFADMN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(F)(F)c1cccc(F)c1 ZINC000594819684 565424776 /nfs/dbraw/zinc/42/47/76/565424776.db2.gz ZTEIFXNDDOAWIR-KGLIPLIRSA-N 0 1 379.400 2.569 20 0 GFADMN OC[C@@H]1CC[C@H](CNCc2cc(Cl)ccc2I)O1 ZINC000594944312 565437172 /nfs/dbraw/zinc/43/71/72/565437172.db2.gz NHVQISMHTKTTNB-NEPJUHHUSA-N 0 1 381.641 2.574 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1CS(C)(=O)=O ZINC000621818817 565443222 /nfs/dbraw/zinc/44/32/22/565443222.db2.gz QVSIIQOAAGHZJL-UHFFFAOYSA-N 0 1 389.882 2.694 20 0 GFADMN CCN(CCNC(=O)c1cc(Br)c[nH]c1=O)CCC(F)(F)F ZINC000621972349 565452410 /nfs/dbraw/zinc/45/24/10/565452410.db2.gz 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GFADMN CN(CCNCc1c(Br)cncc1Br)CC(F)F ZINC000623831922 565531963 /nfs/dbraw/zinc/53/19/63/565531963.db2.gz AIHZTIXITWRXJZ-UHFFFAOYSA-N 0 1 387.066 2.893 20 0 GFADMN CN(CC1CN(C)C1)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000596711334 565532539 /nfs/dbraw/zinc/53/25/39/565532539.db2.gz JSUIUFHNTPZZSR-UHFFFAOYSA-N 0 1 395.191 2.595 20 0 GFADMN O=S(=O)(CCN[C@@H]1CCc2cc(F)c(Cl)cc21)NC[C@@H]1CCCCO1 ZINC000623913704 565534748 /nfs/dbraw/zinc/53/47/48/565534748.db2.gz YMZGRERIJCKNCF-SUMWQHHRSA-N 0 1 390.908 2.545 20 0 GFADMN CN(CC1CN(C)C1)C(=O)Nc1ccc(Cl)cc1I ZINC000596795246 565535564 /nfs/dbraw/zinc/53/55/64/565535564.db2.gz TWJIDBIXKYUMAG-UHFFFAOYSA-N 0 1 393.656 2.970 20 0 GFADMN CN([C@H]1CCCN(C)C1)S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645564904 565539300 /nfs/dbraw/zinc/53/93/00/565539300.db2.gz JRRLODOGUIWHIB-ZDUSSCGKSA-N 0 1 395.750 2.958 20 0 GFADMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000645583498 565541584 /nfs/dbraw/zinc/54/15/84/565541584.db2.gz RHTZXTDHQJCUGW-SFHVURJKSA-N 0 1 386.583 2.708 20 0 GFADMN Fc1ccc(CN2CC[C@@H](Cn3ccnn3)C2)c(I)c1 ZINC000597173732 565554647 /nfs/dbraw/zinc/55/46/47/565554647.db2.gz IFCUQHSBXMIQSY-LLVKDONJSA-N 0 1 386.212 2.544 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)C[C@@H]21 ZINC000645745128 565557486 /nfs/dbraw/zinc/55/74/86/565557486.db2.gz HUYMSTJMLDSLAA-KOLCDFICSA-N 0 1 384.807 2.563 20 0 GFADMN CN(CC1CN(C)C1)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000666800631 565558273 /nfs/dbraw/zinc/55/82/73/565558273.db2.gz INFHOBFNXATVEX-UHFFFAOYSA-N 0 1 392.301 2.719 20 0 GFADMN COc1cc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)ccc1Br ZINC000624759982 565575140 /nfs/dbraw/zinc/57/51/40/565575140.db2.gz IUEFFRNGVVJZNM-HNNXBMFYSA-N 0 1 397.313 2.785 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)c1cc(O)ccc1Cl ZINC000645984892 565580691 /nfs/dbraw/zinc/58/06/91/565580691.db2.gz PBFDGEDQQIWOSQ-ZDUSSCGKSA-N 0 1 382.182 2.871 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)C[C@H](C(F)(F)F)O1 ZINC000646135908 565588064 /nfs/dbraw/zinc/58/80/64/565588064.db2.gz DAFUPYFEMWHDJN-IUPBHXKESA-N 0 1 395.219 2.801 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000667503659 565591553 /nfs/dbraw/zinc/59/15/53/565591553.db2.gz SOSBWGXUVGKWRL-QWRGUYRKSA-N 0 1 388.281 2.815 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000667503659 565591558 /nfs/dbraw/zinc/59/15/58/565591558.db2.gz SOSBWGXUVGKWRL-QWRGUYRKSA-N 0 1 388.281 2.815 20 0 GFADMN O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCN(C2CCC2)CC1 ZINC000625163737 565604537 /nfs/dbraw/zinc/60/45/37/565604537.db2.gz ALDSRDWFWCUANO-KRWDZBQOSA-N 0 1 378.314 2.873 20 0 GFADMN O=C(CC[C@@H]1CCOC1)Nc1nc2ccc(I)cc2[nH]1 ZINC000598423096 565615018 /nfs/dbraw/zinc/61/50/18/565615018.db2.gz JXIIWFKIDJNBEN-SECBINFHSA-N 0 1 385.205 2.923 20 0 GFADMN COCCCOCCN(C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625279659 565615392 /nfs/dbraw/zinc/61/53/92/565615392.db2.gz BOVHVNJKXGIMPW-INIZCTEOSA-N 0 1 385.302 2.687 20 0 GFADMN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000598430398 565618196 /nfs/dbraw/zinc/61/81/96/565618196.db2.gz GSCLQUYQGMVGIM-BJHJDKERSA-N 0 1 392.253 2.863 20 0 GFADMN CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000625402851 565626027 /nfs/dbraw/zinc/62/60/27/565626027.db2.gz RIXZGDOBKWYJDX-GFCCVEGCSA-N 0 1 381.723 2.616 20 0 GFADMN CC[N@H+](Cc1cc(Br)c([O-])c(Br)c1)[C@@H]1CCNC1=O ZINC000668103377 565627329 /nfs/dbraw/zinc/62/73/29/565627329.db2.gz JHOJPBPMTNNTLQ-LLVKDONJSA-N 0 1 392.091 2.628 20 0 GFADMN CC[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)[C@@H]1CCNC1=O ZINC000668103377 565627332 /nfs/dbraw/zinc/62/73/32/565627332.db2.gz JHOJPBPMTNNTLQ-LLVKDONJSA-N 0 1 392.091 2.628 20 0 GFADMN [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000647088296 565636804 /nfs/dbraw/zinc/63/68/04/565636804.db2.gz WLTBDZNTTJKGIL-GOEBONIOSA-N 0 1 383.286 2.513 20 0 GFADMN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000598750409 565639288 /nfs/dbraw/zinc/63/92/88/565639288.db2.gz FJRVRQYFKDEFFR-GANBNBROSA-N 0 1 384.299 2.745 20 0 GFADMN COc1cc(OC)c(NS(=O)(=O)C[C@@H](OC)C(C)C)cc1Br ZINC000647130804 565640812 /nfs/dbraw/zinc/64/08/12/565640812.db2.gz HINQALGQCIOMHK-CQSZACIVSA-N 0 1 396.303 2.879 20 0 GFADMN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000598773516 565641003 /nfs/dbraw/zinc/64/10/03/565641003.db2.gz XNAKBAFZUNVIHA-GANBNBROSA-N 0 1 384.299 2.745 20 0 GFADMN C[C@H](c1nc([C@H]2CCCN2)no1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000647148768 565642008 /nfs/dbraw/zinc/64/20/08/565642008.db2.gz XIKPBPLLXITVSY-PRHODGIISA-N 0 1 391.225 2.614 20 0 GFADMN Cc1cc(Br)cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000668377694 565644032 /nfs/dbraw/zinc/64/40/32/565644032.db2.gz DNTMOAZBVBPHNT-SJORKVTESA-N 0 1 381.314 2.737 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598847966 565645782 /nfs/dbraw/zinc/64/57/82/565645782.db2.gz SEIGXBYKYPEDJG-UHFFFAOYSA-N 0 1 393.241 2.811 20 0 GFADMN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000599045398 565653696 /nfs/dbraw/zinc/65/36/96/565653696.db2.gz QOKURGHWSJUNJD-IYPVNNRCSA-N 0 1 380.535 2.905 20 0 GFADMN CC[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055739 565655088 /nfs/dbraw/zinc/65/50/88/565655088.db2.gz POHOTELUVAVBIQ-ZIAGYGMSSA-N 0 1 385.249 2.799 20 0 GFADMN CN(CCc1ccccc1)[C@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000668566184 565655788 /nfs/dbraw/zinc/65/57/88/565655788.db2.gz HVEQNAACTOEYCK-KRWDZBQOSA-N 0 1 378.563 2.900 20 0 GFADMN CCc1cc(=O)[nH]c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797814 565660399 /nfs/dbraw/zinc/66/03/99/565660399.db2.gz ZWOMQLWVDIMWDV-SFHVURJKSA-N 0 1 392.297 2.517 20 0 GFADMN CCc1cc(=O)[n-]c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625797814 565660405 /nfs/dbraw/zinc/66/04/05/565660405.db2.gz ZWOMQLWVDIMWDV-SFHVURJKSA-N 0 1 392.297 2.517 20 0 GFADMN CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000599311643 565669040 /nfs/dbraw/zinc/66/90/40/565669040.db2.gz CWXKQKXFPVMAEM-OAHLLOKOSA-N 0 1 384.307 2.762 20 0 GFADMN Cn1cc([C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C(=O)[O-])cn1 ZINC000647646667 565669656 /nfs/dbraw/zinc/66/96/56/565669656.db2.gz IGNOBRMKDCVIPJ-GFCCVEGCSA-N 0 1 390.184 2.700 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)on1 ZINC000599320871 565669885 /nfs/dbraw/zinc/66/98/85/565669885.db2.gz UDYWGPGAZMUPEM-CQSZACIVSA-N 0 1 388.804 2.683 20 0 GFADMN CCOC(=O)C[C@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000599364886 565672151 /nfs/dbraw/zinc/67/21/51/565672151.db2.gz NQUNVEZKELUUOF-AWEZNQCLSA-N 0 1 386.286 2.606 20 0 GFADMN C[C@H](CNC(=O)[C@H]1CCCc2n[nH]nc21)Oc1ccc(Br)cc1 ZINC000669343200 565685991 /nfs/dbraw/zinc/68/59/91/565685991.db2.gz WLDINLTVLSNDEM-MFKMUULPSA-N 0 1 379.258 2.571 20 0 GFADMN C[C@@H]1CN(CCO)CCN1Cc1cc(OC(F)F)ccc1Br ZINC000648041841 565688086 /nfs/dbraw/zinc/68/80/86/565688086.db2.gz DZVFBLUKYDFAAC-LLVKDONJSA-N 0 1 379.245 2.549 20 0 GFADMN O=C(NCCN1CC[C@H](O)C1)Nc1ccc(C(F)(F)F)cc1Br ZINC000626458712 565693819 /nfs/dbraw/zinc/69/38/19/565693819.db2.gz DHWSRQBNCNUEKF-JTQLQIEISA-N 0 1 396.207 2.656 20 0 GFADMN CCO[C@H]1C[C@](O)(CNC(=O)c2cc(Br)cc3nc[nH]c32)C1(C)C ZINC000669721418 565699952 /nfs/dbraw/zinc/69/99/52/565699952.db2.gz ORIGMGSPGVRQAU-GUYCJALGSA-N 0 1 396.285 2.621 20 0 GFADMN CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2C)C[C@@H]1C ZINC000669791269 565702427 /nfs/dbraw/zinc/70/24/27/565702427.db2.gz TWFVUMIGYSFHBM-ZDUSSCGKSA-N 0 1 394.317 2.687 20 0 GFADMN CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)C[C@@H]1C ZINC000669802042 565703196 /nfs/dbraw/zinc/70/31/96/565703196.db2.gz JLSLZFZXGMMYCD-LBPRGKRZSA-N 0 1 394.317 2.784 20 0 GFADMN O=C(NCCSCc1ccc(Cl)cc1Cl)NC[C@H]1COCCN1 ZINC000599917403 565705811 /nfs/dbraw/zinc/70/58/11/565705811.db2.gz JNWBAPCLWNYARG-ZDUSSCGKSA-N 0 1 378.325 2.514 20 0 GFADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccsc2)cc1S(=O)(=O)N(C)C ZINC000669938798 565707618 /nfs/dbraw/zinc/70/76/18/565707618.db2.gz ZJGYXZFLKWEPGY-CYBMUJFWSA-N 0 1 381.523 2.596 20 0 GFADMN O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@@H]1CN2CCN1CCC2 ZINC000670447204 565723465 /nfs/dbraw/zinc/72/34/65/565723465.db2.gz NHIZEZSPCXCGPF-OAHLLOKOSA-N 0 1 386.323 2.659 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000648773267 565728220 /nfs/dbraw/zinc/72/82/20/565728220.db2.gz ABQDOCJFRZZZFQ-NVXWUHKLSA-N 0 1 381.314 2.706 20 0 GFADMN O=C(CCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259855 565728919 /nfs/dbraw/zinc/72/89/19/565728919.db2.gz ADHRLSPUHZXGSM-GHMZBOCLSA-N 0 1 391.320 2.685 20 0 GFADMN O=C(CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1cc(Cl)sc1Cl ZINC000627259855 565728921 /nfs/dbraw/zinc/72/89/21/565728921.db2.gz ADHRLSPUHZXGSM-GHMZBOCLSA-N 0 1 391.320 2.685 20 0 GFADMN CN(C(=O)c1ccc(NS(C)(=O)=O)nc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000627329880 565733898 /nfs/dbraw/zinc/73/38/98/565733898.db2.gz XRGIOFQUBUBBJF-TXEJJXNPSA-N 0 1 379.404 2.646 20 0 GFADMN CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)c1Br ZINC000600555073 565736008 /nfs/dbraw/zinc/73/60/08/565736008.db2.gz XJMCYNACTPJQNN-JFGNBEQYSA-N 0 1 384.274 2.538 20 0 GFADMN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000600880751 565753779 /nfs/dbraw/zinc/75/37/79/565753779.db2.gz SSHJLSZJZRFSGQ-JKSUJKDBSA-N 0 1 387.355 2.860 20 0 GFADMN CCN1CCC(NS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000671166223 565754203 /nfs/dbraw/zinc/75/42/03/565754203.db2.gz LGGNHJURXYWZTC-UHFFFAOYSA-N 0 1 381.723 2.865 20 0 GFADMN O=S(=O)(NC1CC1)c1ccc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000649580567 565767267 /nfs/dbraw/zinc/76/72/67/565767267.db2.gz AJNMWMPYVWECHN-SFHVURJKSA-N 0 1 380.897 2.604 20 0 GFADMN O=C(N1CCCC1)[C@@]1(O)CCCN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000671494424 565769170 /nfs/dbraw/zinc/76/91/70/565769170.db2.gz NTKHVQOMZHDZRD-GOSISDBHSA-N 0 1 377.535 2.821 20 0 GFADMN C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628125957 565774985 /nfs/dbraw/zinc/77/49/85/565774985.db2.gz WCVDNKZMEMUYIV-CQSZACIVSA-N 0 1 397.313 2.540 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)F)o1)c1ccc(F)c(C)c1 ZINC000601393673 565780747 /nfs/dbraw/zinc/78/07/47/565780747.db2.gz FUOLECAZXSYNIP-ZDUSSCGKSA-N 0 1 377.340 2.857 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650499032 565825740 /nfs/dbraw/zinc/82/57/40/565825740.db2.gz GVSIMLPZFYHEEH-JSGCOSHPSA-N 0 1 395.297 2.908 20 0 GFADMN CNc1cc(I)ccc1C(=O)N(C)Cc1cn[nH]c1C ZINC000602172381 565827719 /nfs/dbraw/zinc/82/77/19/565827719.db2.gz KJABAAQYGXYYAE-UHFFFAOYSA-N 0 1 384.221 2.637 20 0 GFADMN Cc1cccc2c1C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CO2 ZINC000629252890 565833010 /nfs/dbraw/zinc/83/30/10/565833010.db2.gz ZSBJZTSBLGCYQF-RHSMWYFYSA-N 0 1 375.266 2.877 20 0 GFADMN CCO[C@H](CS(=O)(=O)Nc1ccccc1Sc1nncn1C)C1CC1 ZINC000629286389 565834291 /nfs/dbraw/zinc/83/42/91/565834291.db2.gz NQDUOKRUWSBGLH-CQSZACIVSA-N 0 1 382.511 2.523 20 0 GFADMN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673511462 565837832 /nfs/dbraw/zinc/83/78/32/565837832.db2.gz ACHRLMGIDTXGGY-GJZGRUSLSA-N 0 1 377.897 2.745 20 0 GFADMN O=C(c1csc(-c2ccc(Cl)s2)n1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673518269 565839140 /nfs/dbraw/zinc/83/91/40/565839140.db2.gz UUHOYJCWCRZVSJ-GHMZBOCLSA-N 0 1 383.926 2.806 20 0 GFADMN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(Br)c1O ZINC000602330054 565839247 /nfs/dbraw/zinc/83/92/47/565839247.db2.gz WIWFDHPLXBSETR-CYBMUJFWSA-N 0 1 393.212 2.829 20 0 GFADMN O=C(NCCCCN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651113279 565846787 /nfs/dbraw/zinc/84/67/87/565846787.db2.gz ISAMNZFLCIDGGL-HNNXBMFYSA-N 0 1 397.313 2.544 20 0 GFADMN C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCc1cn(CC(=O)[O-])nn1 ZINC000629379468 565849452 /nfs/dbraw/zinc/84/94/52/565849452.db2.gz YFFKAVGTTMXCTA-GXTWGEPZSA-N 0 1 393.285 2.546 20 0 GFADMN CC(C)c1nc(S(=O)(=O)Nc2cc(N3CCNC3=O)ccc2Cl)c[nH]1 ZINC000673885128 565851509 /nfs/dbraw/zinc/85/15/09/565851509.db2.gz QPYZMMOZDIRMDI-UHFFFAOYSA-N 0 1 383.861 2.517 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598965728 /nfs/dbraw/zinc/96/57/28/598965728.db2.gz FUXZKRWQFFIMMY-INIZCTEOSA-N 0 1 392.511 2.902 20 0 GFADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736293609 599239940 /nfs/dbraw/zinc/23/99/40/599239940.db2.gz PBQVSHAZAXLMSF-HIFRSBDPSA-N 0 1 386.504 2.514 20 0 GFADMN O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000819364726 597119146 /nfs/dbraw/zinc/11/91/46/597119146.db2.gz ADOLBVNRIZWQLQ-HNNXBMFYSA-N 0 1 377.510 2.954 20 0 GFADMN O=C([O-])[C@H]1CC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1 ZINC000819280902 597526932 /nfs/dbraw/zinc/52/69/32/597526932.db2.gz GVBMHPLEWJWYKG-JSGCOSHPSA-N 0 1 389.502 2.894 20 0 GFADMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1 ZINC000819280902 597526934 /nfs/dbraw/zinc/52/69/34/597526934.db2.gz GVBMHPLEWJWYKG-JSGCOSHPSA-N 0 1 389.502 2.894 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1-c1nn[nH]n1 ZINC000737186087 599275904 /nfs/dbraw/zinc/27/59/04/599275904.db2.gz 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Cc1ccccc1C[N@H+]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737428112 598575186 /nfs/dbraw/zinc/57/51/86/598575186.db2.gz KHYRNRGHQJVGJF-UHFFFAOYSA-N 0 1 383.887 2.936 20 0 GFADMN Cc1ccccc1C[N@@H+]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737428112 598575187 /nfs/dbraw/zinc/57/51/87/598575187.db2.gz KHYRNRGHQJVGJF-UHFFFAOYSA-N 0 1 383.887 2.936 20 0 GFADMN Cc1ccccc1C[N@H+]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737428112 598575188 /nfs/dbraw/zinc/57/51/88/598575188.db2.gz KHYRNRGHQJVGJF-UHFFFAOYSA-N 0 1 383.887 2.936 20 0 GFADMN Cc1nc2ccc(NC(=O)[C@H]3CCCN3c3ccc(-c4nn[nH]n4)cc3)cc2[nH]1 ZINC000737488321 598579987 /nfs/dbraw/zinc/57/99/87/598579987.db2.gz PFIANESPQKGVGV-GOSISDBHSA-N 0 1 388.435 2.659 20 0 GFADMN CCN(CC)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000736534100 598600059 /nfs/dbraw/zinc/60/00/59/598600059.db2.gz LWFDCSYGAPTUPZ-UHFFFAOYSA-N 0 1 398.442 2.865 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)N2CCCC2)o1 ZINC000737319088 598626542 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Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000740238565 601915063 /nfs/dbraw/zinc/91/50/63/601915063.db2.gz FEVMZZZUABXXCJ-MRXNPFEDSA-N 0 1 384.480 2.656 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833220913 601928218 /nfs/dbraw/zinc/92/82/18/601928218.db2.gz CULWKRBCDJRBMO-MNOVXSKESA-N 0 1 380.293 2.625 20 0 GFADMN COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000739921889 601928924 /nfs/dbraw/zinc/92/89/24/601928924.db2.gz UXOZGEIWMWNKQR-HZPDHXFCSA-N 0 1 391.468 2.639 20 0 GFADMN COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000739921889 601928926 /nfs/dbraw/zinc/92/89/26/601928926.db2.gz UXOZGEIWMWNKQR-HZPDHXFCSA-N 0 1 391.468 2.639 20 0 GFADMN COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739955154 601929124 /nfs/dbraw/zinc/92/91/24/601929124.db2.gz ATFUGLNPMUCDLU-SZMVWBNQSA-N 0 1 389.496 2.869 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000262941940 601949447 /nfs/dbraw/zinc/94/94/47/601949447.db2.gz CKWSBQZMSPXSLW-HKUYNNGSSA-N 0 1 376.453 2.889 20 0 GFADMN O=C([O-])c1ccc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)s1 ZINC000833313706 601954611 /nfs/dbraw/zinc/95/46/11/601954611.db2.gz HHGBWLLCGOSVKP-UHFFFAOYSA-N 0 1 382.489 2.950 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])s3)C2)o1 ZINC000830290250 601960179 /nfs/dbraw/zinc/96/01/79/601960179.db2.gz IJZJEWQOURMTBC-ZDUSSCGKSA-N 0 1 377.466 2.620 20 0 GFADMN COc1cc(CN2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)cc(OC)c1 ZINC000831994915 601961992 /nfs/dbraw/zinc/96/19/92/601961992.db2.gz ARQXNWGRUNUYPF-UHFFFAOYSA-N 0 1 376.478 2.781 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740243083 601974483 /nfs/dbraw/zinc/97/44/83/601974483.db2.gz PGSPKQJTALMLEZ-SFHVURJKSA-N 0 1 399.495 2.892 20 0 GFADMN C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739077754 602090886 /nfs/dbraw/zinc/09/08/86/602090886.db2.gz GDRBUUMJPNQXPC-MHORFTMASA-N 0 1 382.549 2.822 20 0 GFADMN C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739077760 602090998 /nfs/dbraw/zinc/09/09/98/602090998.db2.gz GDRBUUMJPNQXPC-XWTMOSNGSA-N 0 1 382.549 2.822 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC000738980901 602097595 /nfs/dbraw/zinc/09/75/95/602097595.db2.gz PKGZHCBXZDKWGI-KKUMJFAQSA-N 0 1 394.541 2.572 20 0 GFADMN C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC000738980901 602097599 /nfs/dbraw/zinc/09/75/99/602097599.db2.gz PKGZHCBXZDKWGI-KKUMJFAQSA-N 0 1 394.541 2.572 20 0 GFADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000826118569 602106003 /nfs/dbraw/zinc/10/60/03/602106003.db2.gz NOIJSQBZRWDHJC-QZTJIDSGSA-N 0 1 389.496 2.814 20 0 GFADMN CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000739305463 602124459 /nfs/dbraw/zinc/12/44/59/602124459.db2.gz XRGLIUMUCHNBEE-FQEVSTJZSA-N 0 1 376.501 2.589 20 0 GFADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000833321617 602238730 /nfs/dbraw/zinc/23/87/30/602238730.db2.gz JUTKLVLPZRELRZ-HOTGVXAUSA-N 0 1 389.473 2.923 20 0 GFADMN C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739054150 602282056 /nfs/dbraw/zinc/28/20/56/602282056.db2.gz PIKFVNUMDDFGOV-JSGCOSHPSA-N 0 1 387.402 2.862 20 0 GFADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)C(=O)[O-] ZINC000826787804 602349350 /nfs/dbraw/zinc/34/93/50/602349350.db2.gz URHQJJMZUVHGMR-YESZJQIVSA-N 0 1 380.485 2.563 20 0 GFADMN Cn1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000830928325 602359647 /nfs/dbraw/zinc/35/96/47/602359647.db2.gz KXJNPFNZRAKJND-MLGOLLRUSA-N 0 1 376.482 2.989 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739059966 602417933 /nfs/dbraw/zinc/41/79/33/602417933.db2.gz RNIMYJUOTSBWFW-LPHOPBHVSA-N 0 1 388.512 2.853 20 0 GFADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3)CC2)cn1 ZINC000737051570 602421761 /nfs/dbraw/zinc/42/17/61/602421761.db2.gz WUKXZTBJQNUNCG-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3)CC2)cn1 ZINC000737051570 602421762 /nfs/dbraw/zinc/42/17/62/602421762.db2.gz WUKXZTBJQNUNCG-UHFFFAOYSA-N 0 1 385.468 2.731 20 0 GFADMN C[C@@](CNC(=O)[O-])(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000738921169 602438958 /nfs/dbraw/zinc/43/89/58/602438958.db2.gz SEHNLAVPVPGOGD-QRWLVFNGSA-N 0 1 377.460 2.590 20 0 GFADMN CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000739251354 602443971 /nfs/dbraw/zinc/44/39/71/602443971.db2.gz CDCISQNBFPHEFS-HOTGVXAUSA-N 0 1 391.512 2.852 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1 ZINC000740462270 602452452 /nfs/dbraw/zinc/45/24/52/602452452.db2.gz SQOYGDZFANUOJP-KBPBESRZSA-N 0 1 380.876 2.776 20 0 GFADMN O=C([O-])N1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000740402219 602503159 /nfs/dbraw/zinc/50/31/59/602503159.db2.gz WGEZHGNQHBCBRK-QGZVFWFLSA-N 0 1 381.423 2.578 20 0 GFADMN O=C([O-])Nc1cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000740696495 602505289 /nfs/dbraw/zinc/50/52/89/602505289.db2.gz RPZMAGBCTCISFW-UHFFFAOYSA-N 0 1 377.441 2.978 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000739086006 602509179 /nfs/dbraw/zinc/50/91/79/602509179.db2.gz DDWRJJVFQYGNOQ-GASCZTMLSA-N 0 1 392.475 2.546 20 0 GFADMN COc1ccc([C@H](NC(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)C(C)C)cc1 ZINC000738093858 602536063 /nfs/dbraw/zinc/53/60/63/602536063.db2.gz SSHNVFXSJBLLBA-LJQANCHMSA-N 0 1 377.485 2.583 20 0 GFADMN Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740202589 602557662 /nfs/dbraw/zinc/55/76/62/602557662.db2.gz GIMAOOOVTDXBKC-QGZVFWFLSA-N 0 1 385.468 2.610 20 0 GFADMN Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740202589 602557664 /nfs/dbraw/zinc/55/76/64/602557664.db2.gz GIMAOOOVTDXBKC-QGZVFWFLSA-N 0 1 385.468 2.610 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)C1 ZINC000739269394 602575792 /nfs/dbraw/zinc/57/57/92/602575792.db2.gz UPNHUIZVNZUCTK-HZPDHXFCSA-N 0 1 382.549 2.965 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739712239 602602665 /nfs/dbraw/zinc/60/26/65/602602665.db2.gz UJRGEYBGUVPCND-IBGZPJMESA-N 0 1 388.512 2.682 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000740710713 602603104 /nfs/dbraw/zinc/60/31/04/602603104.db2.gz JXEOEXFGPWKMDS-UHFFFAOYSA-N 0 1 383.452 2.720 20 0 GFADMN C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000739102113 602615141 /nfs/dbraw/zinc/61/51/41/602615141.db2.gz DUCMVCCZYJMUGC-HOTGVXAUSA-N 0 1 376.501 2.716 20 0 GFADMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000738912151 602671308 /nfs/dbraw/zinc/67/13/08/602671308.db2.gz VVAYJWAVUWZSBO-ZIAGYGMSSA-N 0 1 386.452 2.761 20 0 GFADMN C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@H]1NC(=O)[O-] ZINC000739187995 602765009 /nfs/dbraw/zinc/76/50/09/602765009.db2.gz LGMARDMIBAJCEZ-RKDXNWHRSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)CC[C@H]1NC(=O)[O-] ZINC000739187995 602765012 /nfs/dbraw/zinc/76/50/12/602765012.db2.gz LGMARDMIBAJCEZ-RKDXNWHRSA-N 0 1 385.218 2.570 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739181555 602796748 /nfs/dbraw/zinc/79/67/48/602796748.db2.gz SAFBPXMTZVREAV-GYSYKLTISA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1NC(=O)[O-] ZINC000739132593 602824910 /nfs/dbraw/zinc/82/49/10/602824910.db2.gz FQXLVHJNFLXFPM-QRQLOZEOSA-N 0 1 388.512 2.586 20 0 GFADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000740185516 602844867 /nfs/dbraw/zinc/84/48/67/602844867.db2.gz UKKMXLLZHDJHAE-SFHVURJKSA-N 0 1 376.501 2.505 20 0 GFADMN CC(C)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)NC(=O)[O-] ZINC000738784160 602855038 /nfs/dbraw/zinc/85/50/38/602855038.db2.gz KCMFWMJHGVKQLM-LJQANCHMSA-N 0 1 390.528 2.832 20 0 GFADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739062807 602866415 /nfs/dbraw/zinc/86/64/15/602866415.db2.gz IJPFPZBTQSJYHI-CYBMUJFWSA-N 0 1 393.875 2.678 20 0 GFADMN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739062807 602866420 /nfs/dbraw/zinc/86/64/20/602866420.db2.gz IJPFPZBTQSJYHI-CYBMUJFWSA-N 0 1 393.875 2.678 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739081649 602913842 /nfs/dbraw/zinc/91/38/42/602913842.db2.gz JXOHHQRGBPDVRX-QRQLOZEOSA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739109464 603041895 /nfs/dbraw/zinc/04/18/95/603041895.db2.gz SQRZBKMOEPWGNV-KZNAEPCWSA-N 0 1 380.533 2.672 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CCC(NC(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000739186906 603065132 /nfs/dbraw/zinc/06/51/32/603065132.db2.gz UXBMLPQPYRTMAQ-QAQJPARQSA-N 0 1 389.496 2.604 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000828382666 603066385 /nfs/dbraw/zinc/06/63/85/603066385.db2.gz JVGNCJIXIFUWDT-PMACEKPBSA-N 0 1 381.476 2.771 20 0 GFADMN C[C@@H](c1ccc(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000739201012 603094961 /nfs/dbraw/zinc/09/49/61/603094961.db2.gz KPWSJOHFOBUMEC-GRDNDAEWSA-N 0 1 391.468 2.522 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000737491691 603270942 /nfs/dbraw/zinc/27/09/42/603270942.db2.gz FRDKKNPFSGQDQH-IBGZPJMESA-N 0 1 388.512 2.682 20 0 GFADMN Cc1ccc(NCCCNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)[nH+]c1 ZINC000740139196 603309722 /nfs/dbraw/zinc/30/97/22/603309722.db2.gz KOEKMGGWTNUHOF-UHFFFAOYSA-N 0 1 385.468 2.738 20 0 GFADMN O=C([O-])NCc1nc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000740683210 603369356 /nfs/dbraw/zinc/36/93/56/603369356.db2.gz UNHLWLYNYNNSQK-OAHLLOKOSA-N 0 1 389.477 2.980 20 0 GFADMN C[C@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@H]1NC(=O)[O-] ZINC000739180333 603414527 /nfs/dbraw/zinc/41/45/27/603414527.db2.gz FFCACPNZZOLHCQ-GXFFZTMASA-N 0 1 385.258 2.698 20 0 GFADMN C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@H]1NC(=O)[O-] ZINC000739180333 603414530 /nfs/dbraw/zinc/41/45/30/603414530.db2.gz FFCACPNZZOLHCQ-GXFFZTMASA-N 0 1 385.258 2.698 20 0 GFADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825924212 603478988 /nfs/dbraw/zinc/47/89/88/603478988.db2.gz FMXXOAFYCMGDRU-HZPDHXFCSA-N 0 1 380.533 2.671 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)NC2CCC(NC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794748 603483777 /nfs/dbraw/zinc/48/37/77/603483777.db2.gz PLQNFYKDSBNCTO-RXQRSOPUSA-N 0 1 388.512 2.918 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1NC(=O)[O-] ZINC000825996447 603487403 /nfs/dbraw/zinc/48/74/03/603487403.db2.gz MJPURDJKDPPKPK-JFRXWTBNSA-N 0 1 388.512 2.727 20 0 GFADMN CCN(CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1)C(=O)[O-] ZINC000827092665 603513018 /nfs/dbraw/zinc/51/30/18/603513018.db2.gz GKEXMDBRQQJVNF-UHFFFAOYSA-N 0 1 377.510 2.837 20 0 GFADMN C[C@@H]1CCc2c(sc3nc(CC[N@@H+](C)[C@@H]4CCN(C(=O)[O-])C4)nc(N)c32)C1 ZINC000825956518 603532443 /nfs/dbraw/zinc/53/24/43/603532443.db2.gz WENWFOBJFXAEAT-VXGBXAGGSA-N 0 1 389.525 2.625 20 0 GFADMN COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829556916 603553641 /nfs/dbraw/zinc/55/36/41/603553641.db2.gz WUWIALCYIBYIIS-MOPGFXCFSA-N 0 1 389.496 2.651 20 0 GFADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)cc1 ZINC000830377118 603558174 /nfs/dbraw/zinc/55/81/74/603558174.db2.gz NWQSKAQGFIBUJA-CQSZACIVSA-N 0 1 388.493 2.722 20 0 GFADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@H](CNC(=O)[O-])C3)cs2)cc1 ZINC000830377118 603558177 /nfs/dbraw/zinc/55/81/77/603558177.db2.gz NWQSKAQGFIBUJA-CQSZACIVSA-N 0 1 388.493 2.722 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000830078188 603631353 /nfs/dbraw/zinc/63/13/53/603631353.db2.gz KWOCEMYPUDMODI-UHFFFAOYSA-N 0 1 376.501 2.759 20 0 GFADMN C[C@@H](CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1 ZINC000824921997 603653020 /nfs/dbraw/zinc/65/30/20/603653020.db2.gz KLEVHHCFJULHHB-ZLPCBKJTSA-N 0 1 376.501 2.727 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000826069543 603666081 /nfs/dbraw/zinc/66/60/81/603666081.db2.gz VLJVWEHNKGSYLZ-XGXHKWSGSA-N 0 1 388.512 2.633 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000826069479 603675108 /nfs/dbraw/zinc/67/51/08/603675108.db2.gz UNQUPUBGKKAQAU-LPHOPBHVSA-N 0 1 388.512 2.681 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000825637411 603716515 /nfs/dbraw/zinc/71/65/15/603716515.db2.gz CWXPHZJXTMGMJA-HTBOALCVSA-N 0 1 386.496 2.795 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000832464531 603727630 /nfs/dbraw/zinc/72/76/30/603727630.db2.gz DCLCUAAKWPGOTO-CEXWTWQISA-N 0 1 388.512 2.634 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000832464534 603727782 /nfs/dbraw/zinc/72/77/82/603727782.db2.gz DCLCUAAKWPGOTO-QYZOEREBSA-N 0 1 388.512 2.634 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829801848 603791172 /nfs/dbraw/zinc/79/11/72/603791172.db2.gz QQFOSPWXYGSRQC-BPIHKTFHSA-N 0 1 386.496 2.576 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829801848 603791178 /nfs/dbraw/zinc/79/11/78/603791178.db2.gz QQFOSPWXYGSRQC-BPIHKTFHSA-N 0 1 386.496 2.576 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)c1 ZINC000830499301 603816803 /nfs/dbraw/zinc/81/68/03/603816803.db2.gz YVTVYAVCCWRMOE-IHWFROFDSA-N 0 1 385.508 2.950 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000831300377 603823805 /nfs/dbraw/zinc/82/38/05/603823805.db2.gz WFBMZGUIOHLAQZ-IHWFROFDSA-N 0 1 385.508 2.684 20 0 GFADMN Cc1csc2nc(C[N@@H+]3CCN(C(=O)[O-])CC34CCCCC4)cc(=O)n12 ZINC000830672817 603914557 /nfs/dbraw/zinc/91/45/57/603914557.db2.gz OKRALQIAUPEHPN-UHFFFAOYSA-N 0 1 376.482 2.563 20 0 GFADMN Cc1csc2nc(C[N@H+]3CCN(C(=O)[O-])CC34CCCCC4)cc(=O)n12 ZINC000830672817 603914559 /nfs/dbraw/zinc/91/45/59/603914559.db2.gz OKRALQIAUPEHPN-UHFFFAOYSA-N 0 1 376.482 2.563 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000830824900 603942195 /nfs/dbraw/zinc/94/21/95/603942195.db2.gz VOICCYGIOYPKHK-IAGOWNOFSA-N 0 1 385.468 2.799 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828407116 603961409 /nfs/dbraw/zinc/96/14/09/603961409.db2.gz PTDXFSZSRQXLTN-OAQYLSRUSA-N 0 1 385.464 2.918 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828407116 603961410 /nfs/dbraw/zinc/96/14/10/603961410.db2.gz PTDXFSZSRQXLTN-OAQYLSRUSA-N 0 1 385.464 2.918 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000825951581 604035599 /nfs/dbraw/zinc/03/55/99/604035599.db2.gz YLRKXHSDAASMKV-MJGOQNOKSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H]1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825944407 604088041 /nfs/dbraw/zinc/08/80/41/604088041.db2.gz NHWVFTRLKYHLNN-KRWDZBQOSA-N 0 1 388.512 2.682 20 0 GFADMN CN(C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828224211 604095624 /nfs/dbraw/zinc/09/56/24/604095624.db2.gz VITCAGGQQBLWTB-UONOGXRCSA-N 0 1 376.375 2.519 20 0 GFADMN C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825134936 604098791 /nfs/dbraw/zinc/09/87/91/604098791.db2.gz GDKMBYMQBIGXEW-YTQUADARSA-N 0 1 388.512 2.681 20 0 GFADMN Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(OCCCNC(=O)[O-])CC1 ZINC000830050419 604101891 /nfs/dbraw/zinc/10/18/91/604101891.db2.gz NYVNIDIURQMKII-UHFFFAOYSA-N 0 1 383.876 2.726 20 0 GFADMN COc1cc(OC)cc(N2CCC[N@@H+](C[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000829217528 604141657 /nfs/dbraw/zinc/14/16/57/604141657.db2.gz UINABIPRAGZWBE-INIZCTEOSA-N 0 1 377.485 2.606 20 0 GFADMN CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC(=O)[O-] ZINC000824115536 604142331 /nfs/dbraw/zinc/14/23/31/604142331.db2.gz CUBRVUCNNILTFC-YCPHGPKFSA-N 0 1 382.530 2.722 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000825788891 604162771 /nfs/dbraw/zinc/16/27/71/604162771.db2.gz LFEJLAGHISHQNG-XDNAFOTISA-N 0 1 380.533 2.671 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000825252485 604166264 /nfs/dbraw/zinc/16/62/64/604166264.db2.gz DXPDMPIOYHUCTI-RWMBFGLXSA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000825252485 604166266 /nfs/dbraw/zinc/16/62/66/604166266.db2.gz DXPDMPIOYHUCTI-RWMBFGLXSA-N 0 1 385.411 2.983 20 0 GFADMN CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(C(=O)[O-])CC2)CC1 ZINC000827229252 604189767 /nfs/dbraw/zinc/18/97/67/604189767.db2.gz YUOHQUBSTLABPO-HNNXBMFYSA-N 0 1 378.492 2.761 20 0 GFADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829593042 604229551 /nfs/dbraw/zinc/22/95/51/604229551.db2.gz WZMJITBBBDNYBK-YHUYYLMFSA-N 0 1 377.485 2.629 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000825255325 604259357 /nfs/dbraw/zinc/25/93/57/604259357.db2.gz PYKSMEAWRXEZQT-STQMWFEESA-N 0 1 391.390 2.539 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000825255325 604259358 /nfs/dbraw/zinc/25/93/58/604259358.db2.gz PYKSMEAWRXEZQT-STQMWFEESA-N 0 1 391.390 2.539 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000825199975 604260817 /nfs/dbraw/zinc/26/08/17/604260817.db2.gz FLPDKGNGONTLDS-ZVZYQTTQSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000825199975 604260818 /nfs/dbraw/zinc/26/08/18/604260818.db2.gz FLPDKGNGONTLDS-ZVZYQTTQSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H](c1ccc(NC(=O)NC2(CNC(=O)[O-])CCCC2)cc1)[NH+]1CCOCC1 ZINC000825629854 604337977 /nfs/dbraw/zinc/33/79/77/604337977.db2.gz JNBYURIDTYLAGX-OAHLLOKOSA-N 0 1 390.484 2.782 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000832338551 604357432 /nfs/dbraw/zinc/35/74/32/604357432.db2.gz IOBGGTGFKTYUMD-IYWMVGAKSA-N 0 1 385.508 2.936 20 0 GFADMN C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC000830927665 604363832 /nfs/dbraw/zinc/36/38/32/604363832.db2.gz AJVNXQQWZYUXBX-JSGCOSHPSA-N 0 1 394.518 2.704 20 0 GFADMN 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2.770 20 0 GFADMN Cc1cccc([C@H]2CCN([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297947 608128053 /nfs/dbraw/zinc/12/80/53/608128053.db2.gz XRVSDDBUFMBNFS-RDJZCZTQSA-N 0 1 394.504 2.831 20 0 GFADMN O=C1OCC[C@@H]2CN(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CCN12 ZINC000826483414 608168823 /nfs/dbraw/zinc/16/88/23/608168823.db2.gz MQQZMNWZMOTDTI-QGZVFWFLSA-N 0 1 390.447 2.560 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(Cc2cccnc2)CC1 ZINC000824045395 608208119 /nfs/dbraw/zinc/20/81/19/608208119.db2.gz LYRPDPJWAVEVES-OAHLLOKOSA-N 0 1 391.479 2.543 20 0 GFADMN CN1CCO[C@@H]([C@@H](NCc2ccc(-c3nn[nH]n3)cc2)c2ccc(Cl)cc2)C1 ZINC000826045577 608243134 /nfs/dbraw/zinc/24/31/34/608243134.db2.gz ZOTMYJGWRRQFNJ-MOPGFXCFSA-N 0 1 398.898 2.682 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826505955 608379674 /nfs/dbraw/zinc/37/96/74/608379674.db2.gz JCGBQIXHAAHKJS-IBGZPJMESA-N 0 1 387.846 2.839 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826505955 608379676 /nfs/dbraw/zinc/37/96/76/608379676.db2.gz JCGBQIXHAAHKJS-IBGZPJMESA-N 0 1 387.846 2.839 20 0 GFADMN Cc1nn(C)c2ncc(CN3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc12 ZINC000826334152 608467220 /nfs/dbraw/zinc/46/72/20/608467220.db2.gz JXBKUUSILCGNQG-UHFFFAOYSA-N 0 1 386.463 2.746 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824599435 608480807 /nfs/dbraw/zinc/48/08/07/608480807.db2.gz ORRXTZMJQBVECF-GFCCVEGCSA-N 0 1 391.884 2.645 20 0 GFADMN CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220399 608538338 /nfs/dbraw/zinc/53/83/38/608538338.db2.gz SMCXSJXMVYIVOL-BDJLRTHQSA-N 0 1 396.426 2.966 20 0 GFADMN CCc1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000825712446 608548155 /nfs/dbraw/zinc/54/81/55/608548155.db2.gz SCWLFMXONJCZDM-UHFFFAOYSA-N 0 1 395.423 2.592 20 0 GFADMN c1cn2c(cccc2CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000826517777 608582184 /nfs/dbraw/zinc/58/21/84/608582184.db2.gz OIPHVPCCMWDAES-UHFFFAOYSA-N 0 1 375.436 2.558 20 0 GFADMN Clc1cscc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826354324 608590654 /nfs/dbraw/zinc/59/06/54/608590654.db2.gz XXZGMDZKKXERJW-UHFFFAOYSA-N 0 1 391.888 2.769 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1)Nc1cccc(F)c1 ZINC000826435712 608658443 /nfs/dbraw/zinc/65/84/43/608658443.db2.gz VXRLNEMDSBTZKR-ZDUSSCGKSA-N 0 1 399.430 2.633 20 0 GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)Nc1cccc(F)c1 ZINC000826435712 608658446 /nfs/dbraw/zinc/65/84/46/608658446.db2.gz VXRLNEMDSBTZKR-ZDUSSCGKSA-N 0 1 399.430 2.633 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1)Nc1cccc(F)c1 ZINC000826435712 608658447 /nfs/dbraw/zinc/65/84/47/608658447.db2.gz VXRLNEMDSBTZKR-ZDUSSCGKSA-N 0 1 399.430 2.633 20 0 GFADMN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826456766 608665199 /nfs/dbraw/zinc/66/51/99/608665199.db2.gz WFDQUGTUHYMTIU-UHFFFAOYSA-N 0 1 386.456 2.918 20 0 GFADMN O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826456766 608665202 /nfs/dbraw/zinc/66/52/02/608665202.db2.gz WFDQUGTUHYMTIU-UHFFFAOYSA-N 0 1 386.456 2.918 20 0 GFADMN C[C@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000824419820 608676728 /nfs/dbraw/zinc/67/67/28/608676728.db2.gz CCOCEEBYADAILK-MRXNPFEDSA-N 0 1 398.536 2.651 20 0 GFADMN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000824419820 608676733 /nfs/dbraw/zinc/67/67/33/608676733.db2.gz CCOCEEBYADAILK-MRXNPFEDSA-N 0 1 398.536 2.651 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 ZINC000824546066 609168996 /nfs/dbraw/zinc/16/89/96/609168996.db2.gz GQJOMWHXAXXMEL-WBMJQRKESA-N 0 1 397.870 2.761 20 0 GFADMN C[C@H](CNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCc2ccccc2C1 ZINC000824426358 609289819 /nfs/dbraw/zinc/28/98/19/609289819.db2.gz DONUZIXHYBOERH-CYBMUJFWSA-N 0 1 396.882 2.697 20 0 GFADMN CCC1(CO)CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825171235 609366015 /nfs/dbraw/zinc/36/60/15/609366015.db2.gz NSNSGKFRVAVDAW-UHFFFAOYSA-N 0 1 380.290 2.614 20 0 GFADMN CC(=O)c1ccc(-c2nn[nH]n2)cc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000824019793 609420174 /nfs/dbraw/zinc/42/01/74/609420174.db2.gz OTTLHMZTKSBETK-UHFFFAOYSA-N 0 1 394.454 2.921 20 0 GFADMN Cc1c(NS(=O)(=O)c2ccccc2-c2ccno2)cccc1-c1nn[nH]n1 ZINC000826242965 609455242 /nfs/dbraw/zinc/45/52/42/609455242.db2.gz NXAPEOCVJNPMAO-UHFFFAOYSA-N 0 1 382.405 2.631 20 0 GFADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826189172 609468711 /nfs/dbraw/zinc/46/87/11/609468711.db2.gz OWWJWHZYPVCRFD-INIZCTEOSA-N 0 1 398.492 2.504 20 0 GFADMN Cc1c(Cl)cnc(NC2CCN(Cc3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826239160 609535930 /nfs/dbraw/zinc/53/59/30/609535930.db2.gz ZBHLXWXFURUDIL-UHFFFAOYSA-N 0 1 384.875 2.695 20 0 GFADMN CC(C)c1ncc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000824364410 609601024 /nfs/dbraw/zinc/60/10/24/609601024.db2.gz FKULRANUQOLTSI-MRXNPFEDSA-N 0 1 397.508 2.732 20 0 GFADMN Cc1cc(NC(=O)CCN(CCO)Cc2ccc(Br)s2)no1 ZINC000485110500 650693130 /nfs/dbraw/zinc/69/31/30/650693130.db2.gz SMALFBKVOPOSHZ-UHFFFAOYSA-N 0 1 388.287 2.630 20 0 GFADMN CCc1[nH]nc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1Br ZINC000531119779 650735170 /nfs/dbraw/zinc/73/51/70/650735170.db2.gz ZEQUFJXLAJUGFM-ZDUSSCGKSA-N 0 1 392.301 2.980 20 0 GFADMN CC(C)S(=O)(=O)CCN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817293352 660189235 /nfs/dbraw/zinc/18/92/35/660189235.db2.gz PQCHODPKMCWXBH-PMPSAXMXSA-N 0 1 376.563 2.681 20 0 GFADMN Cc1n[nH]c(CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)n1 ZINC000493919160 650799014 /nfs/dbraw/zinc/79/90/14/650799014.db2.gz HDQXHEWHOJJBRN-UHFFFAOYSA-N 0 1 380.239 2.970 20 0 GFADMN O=C(CNC[C@H](O)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000818999365 660242661 /nfs/dbraw/zinc/24/26/61/660242661.db2.gz QJPNNKJSHPMGSJ-KRWDZBQOSA-N 0 1 375.266 2.661 20 0 GFADMN CC[C@H]1CN(C)CCN1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000818972159 660239432 /nfs/dbraw/zinc/23/94/32/660239432.db2.gz STZLOAPFACCIGM-GFUIURDCSA-N 0 1 383.286 2.729 20 0 GFADMN CN(C)c1nccc(CNC[C@](C)(O)c2ccc(Br)cc2Cl)n1 ZINC000819210682 660250320 /nfs/dbraw/zinc/25/03/20/660250320.db2.gz XJLSRNZUAKPTST-INIZCTEOSA-N 0 1 399.720 2.956 20 0 GFADMN O=C(c1cccc(I)c1O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000819260295 660252374 /nfs/dbraw/zinc/25/23/74/660252374.db2.gz DHPHFUPGXDSZIA-ZBFHGGJFSA-N 0 1 399.228 2.780 20 0 GFADMN CN(C[C@H](O)CNCc1ccsc1Br)C(=O)OC(C)(C)C ZINC000819293832 660253958 /nfs/dbraw/zinc/25/39/58/660253958.db2.gz UHOVSESTRQVLOA-LLVKDONJSA-N 0 1 379.320 2.828 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)cc1C ZINC000820801216 660307154 /nfs/dbraw/zinc/30/71/54/660307154.db2.gz CDENDSHWMOUYGV-UHFFFAOYSA-N 0 1 380.491 2.972 20 0 GFADMN CC(C)c1ncc(Br)c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000820873774 660309024 /nfs/dbraw/zinc/30/90/24/660309024.db2.gz HHICXMCRYYSOCB-GFCCVEGCSA-N 0 1 381.318 2.919 20 0 GFADMN CC(C)c1nc(CNC(=O)[C@H](C)c2ccc(I)cc2)n[nH]1 ZINC000821073429 660314630 /nfs/dbraw/zinc/31/46/30/660314630.db2.gz UBNONKIPMFNFJC-SNVBAGLBSA-N 0 1 398.248 2.953 20 0 GFADMN O=C(C[C@H]1CCCS1(=O)=O)Nc1cc(Cl)cc(Br)c1O ZINC000821354201 660322761 /nfs/dbraw/zinc/32/27/61/660322761.db2.gz GJEOKNPWJWXFSM-MRVPVSSYSA-N 0 1 382.663 2.714 20 0 GFADMN CC[C@H](CNC(=O)c1cc(Br)n[nH]1)N1CCc2ccccc2C1 ZINC000821497256 660327820 /nfs/dbraw/zinc/32/78/20/660327820.db2.gz WHNHQQFSRULTRO-CQSZACIVSA-N 0 1 377.286 2.739 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000822312765 660342872 /nfs/dbraw/zinc/34/28/72/660342872.db2.gz FYHVQXWBYZQJQE-BFQNTYOBSA-N 0 1 375.296 2.642 20 0 GFADMN CCCN1CCN(c2ccc(NC(=O)[C@H](O)CCSC)cc2Cl)CC1 ZINC000822735248 660353177 /nfs/dbraw/zinc/35/31/77/660353177.db2.gz IAAGYSGRULYSKF-QGZVFWFLSA-N 0 1 385.961 2.925 20 0 GFADMN CO[C@@H](C)c1noc(CN2CCCN(CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822667997 660351433 /nfs/dbraw/zinc/35/14/33/660351433.db2.gz DSFZBXNVKPCATD-STQMWFEESA-N 0 1 377.316 2.869 20 0 GFADMN CSC[C@H]1CCCN(C(=O)c2cnc(I)c(O)c2)C1 ZINC000823120022 660362369 /nfs/dbraw/zinc/36/23/69/660362369.db2.gz AGDCHZKRNYSZBE-VIFPVBQESA-N 0 1 392.262 2.607 20 0 GFADMN Brc1ccc(C2(c3noc(C[C@H]4COCCN4)n3)CCC2)s1 ZINC000823189536 660364320 /nfs/dbraw/zinc/36/43/20/660364320.db2.gz GMDIDPXGLANEPU-JTQLQIEISA-N 0 1 384.299 2.895 20 0 GFADMN CCS(=O)(=O)C[C@H](C)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823453653 660372475 /nfs/dbraw/zinc/37/24/75/660372475.db2.gz WBUVFSYWSGNWJU-JYJNAYRXSA-N 0 1 376.563 2.777 20 0 GFADMN Cn1nc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1Br ZINC000823614201 660376588 /nfs/dbraw/zinc/37/65/88/660376588.db2.gz OUEWUGZSVHAGEB-LBPRGKRZSA-N 0 1 383.315 2.811 20 0 GFADMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000824024460 660384065 /nfs/dbraw/zinc/38/40/65/660384065.db2.gz GALMTSUJNYZCMT-UHFFFAOYSA-N 0 1 377.813 2.524 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(F)cc(Br)c1F ZINC000824259014 660388445 /nfs/dbraw/zinc/38/84/45/660388445.db2.gz NUSXBPZNTPMIFT-SNVBAGLBSA-N 0 1 387.184 2.627 20 0 GFADMN 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CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884425136 663070523 /nfs/dbraw/zinc/07/05/23/663070523.db2.gz YIFKTLGCBVFFTR-OAHLLOKOSA-N 0 1 377.286 2.783 20 0 GFADMN CSCc1n[nH]c(CNc2ncc(C)cc2I)n1 ZINC000884694698 663073560 /nfs/dbraw/zinc/07/35/60/663073560.db2.gz UKMYVCVMEPJIKC-UHFFFAOYSA-N 0 1 375.239 2.588 20 0 GFADMN CSCc1nnc(CNc2ncc(C)cc2I)[nH]1 ZINC000884694698 663073563 /nfs/dbraw/zinc/07/35/63/663073563.db2.gz UKMYVCVMEPJIKC-UHFFFAOYSA-N 0 1 375.239 2.588 20 0 GFADMN C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000885250548 663087452 /nfs/dbraw/zinc/08/74/52/663087452.db2.gz KJWRWTVDOVGOQY-QGZVFWFLSA-N 0 1 379.507 2.752 20 0 GFADMN O=C(CCc1nn[nH]n1)NCc1c(Cl)cc(Br)cc1Cl ZINC000885830686 663098786 /nfs/dbraw/zinc/09/87/86/663098786.db2.gz PUKOBOGUBNNHEJ-UHFFFAOYSA-N 0 1 379.045 2.518 20 0 GFADMN O=C(NC[C@@H]1CCN1C1CCOCC1)c1nc(Br)sc1Cl ZINC000885889215 663100582 /nfs/dbraw/zinc/10/05/82/663100582.db2.gz YZCKXKODHTYQSI-VIFPVBQESA-N 0 1 394.722 2.542 20 0 GFADMN C[C@@H](NCc1cc(Br)c(Br)s1)C(=O)NCCF ZINC000886106899 663103425 /nfs/dbraw/zinc/10/34/25/663103425.db2.gz GFXPWSSUJYJZMP-ZCFIWIBFSA-N 0 1 388.100 2.837 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000886239396 663105587 /nfs/dbraw/zinc/10/55/87/663105587.db2.gz VZGOMYPGEDEHRS-MRXNPFEDSA-N 0 1 385.888 2.966 20 0 GFADMN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(OC(F)F)c(Br)c1 ZINC000886294845 663107662 /nfs/dbraw/zinc/10/76/62/663107662.db2.gz YNOOQSNKPSVXKV-KCJUWKMLSA-N 0 1 384.242 2.573 20 0 GFADMN COc1ncc(Br)cc1CNC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000886336931 663108570 /nfs/dbraw/zinc/10/85/70/663108570.db2.gz YOOCORCRNCAZSA-BKBUGSPTSA-N 0 1 385.302 2.915 20 0 GFADMN OC[C@@]1(C(F)(F)F)CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813821 663119970 /nfs/dbraw/zinc/11/99/70/663119970.db2.gz VTYDXBWLFDEYHY-GXTWGEPZSA-N 0 1 388.213 2.980 20 0 GFADMN O=C(NC1(c2ncc(Br)cn2)CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000886838628 663121493 /nfs/dbraw/zinc/12/14/93/663121493.db2.gz 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QLMZHCVGNBVINF-LBPRGKRZSA-N 0 1 385.302 2.957 20 0 GFADMN Cn1nc(Br)c2c1ncnc2NCCc1nc2ccc(F)cc2[nH]1 ZINC000301490152 563405418 /nfs/dbraw/zinc/40/54/18/563405418.db2.gz AKPZJYHZDRRCBD-UHFFFAOYSA-N 0 1 390.220 2.796 20 0 GFADMN C[C@H]1C[C@H](Nc2cnn(C)c(=O)c2Br)CN1Cc1ccccc1 ZINC000301640864 563408998 /nfs/dbraw/zinc/40/89/98/563408998.db2.gz YRARZPQDYTXYHH-JSGCOSHPSA-N 0 1 377.286 2.618 20 0 GFADMN COc1cc2nccc(N[C@@H](C)C3(S(C)(=O)=O)CC3)c2cc1Br ZINC000425255352 563415062 /nfs/dbraw/zinc/41/50/62/563415062.db2.gz PGLZQRHHRLUESI-JTQLQIEISA-N 0 1 399.310 2.805 20 0 GFADMN O=C(Cc1cc(Br)ccc1F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425303843 563417002 /nfs/dbraw/zinc/41/70/02/563417002.db2.gz PFKRAUXTKAYXEG-VIFPVBQESA-N 0 1 384.205 2.626 20 0 GFADMN O=C(c1cc(F)c(F)cc1Br)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425298782 563417038 /nfs/dbraw/zinc/41/70/38/563417038.db2.gz JQCVEQKBFKIDNP-SSDOTTSWSA-N 0 1 388.168 2.836 20 0 GFADMN Cc1cn2c(n1)[C@H](CNCc1ncc(I)s1)CCC2 ZINC000375786795 563418579 /nfs/dbraw/zinc/41/85/79/563418579.db2.gz FRYZCRWQLKECEU-JTQLQIEISA-N 0 1 388.278 2.920 20 0 GFADMN CC(C)c1nnc(CNC(=O)c2cc(Br)cc3nc[nH]c32)n1C ZINC000282661279 563420227 /nfs/dbraw/zinc/42/02/27/563420227.db2.gz GVFUTVGNCFHVEE-UHFFFAOYSA-N 0 1 377.246 2.507 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000425405354 563420351 /nfs/dbraw/zinc/42/03/51/563420351.db2.gz XZELCBAFOACLQC-UHFFFAOYSA-N 0 1 390.347 2.763 20 0 GFADMN CO[C@@H](CN(CCNC(C)=O)Cc1ccc(Br)s1)C1CC1 ZINC000425450535 563423202 /nfs/dbraw/zinc/42/32/02/563423202.db2.gz YMPLPQQONZSYON-AWEZNQCLSA-N 0 1 375.332 2.874 20 0 GFADMN CCc1ncsc1NC(=O)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282807589 563425771 /nfs/dbraw/zinc/42/57/71/563425771.db2.gz NZFAMDHZTVYJAD-CQSZACIVSA-N 0 1 380.901 2.717 20 0 GFADMN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000282927036 563429563 /nfs/dbraw/zinc/42/95/63/563429563.db2.gz YDXITRMBIQDZAH-PWSUYJOCSA-N 0 1 393.285 2.702 20 0 GFADMN CC(C)(CN1CCOCC1)NCc1nnc(-c2ccccc2Br)o1 ZINC000308649012 563434860 /nfs/dbraw/zinc/43/48/60/563434860.db2.gz VGKLDPDGOKOAHR-UHFFFAOYSA-N 0 1 395.301 2.700 20 0 GFADMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000376303077 563436508 /nfs/dbraw/zinc/43/65/08/563436508.db2.gz RRJGSRUOJDLRMU-UHFFFAOYSA-N 0 1 375.830 2.969 20 0 GFADMN Cc1cc(N2CCC[C@H](N3CC[C@@H](O)[C@H](C)C3)C2=O)ccc1Br ZINC000426135627 563444769 /nfs/dbraw/zinc/44/47/69/563444769.db2.gz HFDUUAKGRAGHFA-XOKHGSTOSA-N 0 1 381.314 2.956 20 0 GFADMN CC(C)(O)CN1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000319860087 563445687 /nfs/dbraw/zinc/44/56/87/563445687.db2.gz HZZPJKHLXYRVOE-UHFFFAOYSA-N 0 1 382.224 2.756 20 0 GFADMN COc1ccc(Br)cc1CN[C@@H]1CCCc2c1cnn2CCO ZINC000319799963 563445706 /nfs/dbraw/zinc/44/57/06/563445706.db2.gz HHVBJMBMIQQWDD-OAHLLOKOSA-N 0 1 380.286 2.814 20 0 GFADMN Cc1cc([C@H]2CCCN(C(=O)Cc3cc[nH]c(=O)c3Br)C2)n[nH]1 ZINC000283574324 563447909 /nfs/dbraw/zinc/44/79/09/563447909.db2.gz OQLWENIEOSWYKW-LBPRGKRZSA-N 0 1 379.258 2.530 20 0 GFADMN CN(C(=O)c1ccc(Br)c2c1OCCC2)[C@H]1CN2CCC1CC2 ZINC000426304040 563448469 /nfs/dbraw/zinc/44/84/69/563448469.db2.gz AYDCRZJTZYEOII-INIZCTEOSA-N 0 1 379.298 2.940 20 0 GFADMN CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000283650541 563450540 /nfs/dbraw/zinc/45/05/40/563450540.db2.gz YYEYXZXBAKGFSA-LSDHHAIUSA-N 0 1 383.583 2.601 20 0 GFADMN COC(=O)c1ccc(Br)cc1CN1CC[C@]2(C1)CCCN(C)C2=O ZINC000376694072 563451083 /nfs/dbraw/zinc/45/10/83/563451083.db2.gz KBTMIHYATUYBAV-SFHVURJKSA-N 0 1 395.297 2.680 20 0 GFADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000426762528 563454868 /nfs/dbraw/zinc/45/48/68/563454868.db2.gz KYQWIUUNJWMAGA-GFCCVEGCSA-N 0 1 375.922 2.562 20 0 GFADMN COC(=O)CCN(Cc1cc(Br)cc2c1OCC2)C[C@H]1CCCO1 ZINC000326417068 563455191 /nfs/dbraw/zinc/45/51/91/563455191.db2.gz LXHUSMBEUCTLGY-MRXNPFEDSA-N 0 1 398.297 2.928 20 0 GFADMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(O)cc2)c(Br)c1O ZINC000426813100 563455671 /nfs/dbraw/zinc/45/56/71/563455671.db2.gz VBGOWHSAHXDXMR-CQSZACIVSA-N 0 1 382.210 2.784 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C[C@H]1N(C)C ZINC000328672126 563462177 /nfs/dbraw/zinc/46/21/77/563462177.db2.gz NWZIEOLNYYHNDG-CVEARBPZSA-N 0 1 397.591 2.785 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)cnc1C ZINC000427302083 563465044 /nfs/dbraw/zinc/46/50/44/563465044.db2.gz MUXBPWKYUMNMOR-UHFFFAOYSA-N 0 1 382.825 2.833 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2)n1 ZINC000328828374 563466115 /nfs/dbraw/zinc/46/61/15/563466115.db2.gz QQKWVTYCKFXUBW-GDBMZVCRSA-N 0 1 377.535 2.976 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)N3C[C@H]4CCCN4C[C@H]3C)c2)n1 ZINC000328828374 563466117 /nfs/dbraw/zinc/46/61/17/563466117.db2.gz QQKWVTYCKFXUBW-GDBMZVCRSA-N 0 1 377.535 2.976 20 0 GFADMN COC(=O)c1ccc(CN2CCC(Cn3ccnn3)CC2)c(Br)c1 ZINC000284190881 563466950 /nfs/dbraw/zinc/46/69/50/563466950.db2.gz BBWKWEAPAYQLSQ-UHFFFAOYSA-N 0 1 393.285 2.739 20 0 GFADMN O=C(CN1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1)C1CC1 ZINC000427449566 563467610 /nfs/dbraw/zinc/46/76/10/563467610.db2.gz OTVLJKUXGRUEJP-UHFFFAOYSA-N 0 1 378.885 2.529 20 0 GFADMN O=C1[C@H](N[C@H](c2cncc(Br)c2)C2CC2)CCN1C1CCOCC1 ZINC000328914879 563468247 /nfs/dbraw/zinc/46/82/47/563468247.db2.gz QNONSZVYAAXCGT-SJORKVTESA-N 0 1 394.313 2.665 20 0 GFADMN CCN(CC)CCN(C(=O)c1ccc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000427702582 563472172 /nfs/dbraw/zinc/47/21/72/563472172.db2.gz UQMICYJKICUZDF-OAHLLOKOSA-N 0 1 386.945 2.620 20 0 GFADMN C[C@H](NS(=O)(=O)c1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000329094768 563472537 /nfs/dbraw/zinc/47/25/37/563472537.db2.gz XPYNYLGAGOALJP-ZDUSSCGKSA-N 0 1 383.514 2.679 20 0 GFADMN Ic1cccc(-c2noc([C@@H]3C[C@@H]3c3nc[nH]n3)n2)c1 ZINC000377454160 563474977 /nfs/dbraw/zinc/47/49/77/563474977.db2.gz ZWBFQBNPGVEOFQ-VHSXEESVSA-N 0 1 379.161 2.730 20 0 GFADMN Cn1nccc1[C@H]1[C@H](NCc2ccccc2Br)CCC(=O)N1C ZINC000284448992 563475426 /nfs/dbraw/zinc/47/54/26/563475426.db2.gz GHRJXGJWTGYRNZ-RHSMWYFYSA-N 0 1 377.286 2.634 20 0 GFADMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000284515644 563478876 /nfs/dbraw/zinc/47/88/76/563478876.db2.gz DYXABLCTWLJBBN-RISCZKNCSA-N 0 1 397.248 2.546 20 0 GFADMN O=C(CCN1CCOC[C@@H]1[C@H]1CCC[C@H]1O)Nc1cccc(Br)c1 ZINC000284674479 563484996 /nfs/dbraw/zinc/48/49/96/563484996.db2.gz DXEKSRSDBMILIY-BRWVUGGUSA-N 0 1 397.313 2.640 20 0 GFADMN O=C(CN[C@H](c1nnc[nH]1)c1ccccc1)Nc1cccc(Br)c1 ZINC000428463437 563493089 /nfs/dbraw/zinc/49/30/89/563493089.db2.gz NQGITPUKHNGARH-INIZCTEOSA-N 0 1 386.253 2.885 20 0 GFADMN COCc1cnc(CNC[C@@H](CO)Cc2ccccc2Br)s1 ZINC000428546716 563495286 /nfs/dbraw/zinc/49/52/86/563495286.db2.gz NUXJRXOUEZKNPY-LBPRGKRZSA-N 0 1 385.327 2.993 20 0 GFADMN Cc1cc(CC(=O)N[C@@H](C)c2ccc(Br)cc2OCCCO)[nH]n1 ZINC000428589417 563496868 /nfs/dbraw/zinc/49/68/68/563496868.db2.gz MFJPCROMKISKOF-LBPRGKRZSA-N 0 1 396.285 2.662 20 0 GFADMN Cc1ccc(Br)c(C(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000378155589 563497849 /nfs/dbraw/zinc/49/78/49/563497849.db2.gz QWOCWCPOBOIWKQ-PBHICJAKSA-N 0 1 381.314 2.988 20 0 GFADMN O=C(CCc1nc[nH]n1)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000429092845 563509286 /nfs/dbraw/zinc/50/92/86/563509286.db2.gz XRTRGIGSCQBAAO-UHFFFAOYSA-N 0 1 397.233 2.796 20 0 GFADMN COCCN1CCCN(C(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000285238283 563510471 /nfs/dbraw/zinc/51/04/71/563510471.db2.gz ZGVRJDQPPMXNLJ-UHFFFAOYSA-N 0 1 385.302 2.560 20 0 GFADMN CS(=O)(=O)CC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000429242719 563512283 /nfs/dbraw/zinc/51/22/83/563512283.db2.gz WZFUUHFMXOMWAU-UHFFFAOYSA-N 0 1 386.315 2.582 20 0 GFADMN CCCOc1ccc(Br)cc1CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000386647992 563518886 /nfs/dbraw/zinc/51/88/86/563518886.db2.gz XULLMDFNSQQYKI-BXUZGUMPSA-N 0 1 376.316 2.903 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1O ZINC000330765757 563520115 /nfs/dbraw/zinc/52/01/15/563520115.db2.gz KHNWUGLTWGOOSW-VHSXEESVSA-N 0 1 380.388 2.608 20 0 GFADMN CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])C1 ZINC000330817620 563522335 /nfs/dbraw/zinc/52/23/35/563522335.db2.gz MGRLSVHWJKCYSH-LBPRGKRZSA-N 0 1 380.432 2.763 20 0 GFADMN C[C@](CO)(NCC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000285575022 563527351 /nfs/dbraw/zinc/52/73/51/563527351.db2.gz WMVIAWNLWDJOIU-GOSISDBHSA-N 0 1 377.282 2.563 20 0 GFADMN COc1c(Br)cccc1CNCC1(S(C)(=O)=O)CCCC1 ZINC000285571733 563527467 /nfs/dbraw/zinc/52/74/67/563527467.db2.gz UICDSYWQKMNOFL-UHFFFAOYSA-N 0 1 376.316 2.905 20 0 GFADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2n[nH]c(CC)c2Br)C1 ZINC000330937489 563528309 /nfs/dbraw/zinc/52/83/09/563528309.db2.gz ARZRBWLWOBWSBD-RYUDHWBXSA-N 0 1 399.333 2.892 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCN(CC(F)F)[C@@H](CC)C2)c1Br ZINC000330945331 563528809 /nfs/dbraw/zinc/52/88/09/563528809.db2.gz GEMRWQSOYNDPMW-VIFPVBQESA-N 0 1 379.249 2.536 20 0 GFADMN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000394537371 563530190 /nfs/dbraw/zinc/53/01/90/563530190.db2.gz VCQVIFAGIUKBNW-WDSKDSINSA-N 0 1 376.103 2.770 20 0 GFADMN CC1CC[NH+](C[C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000331029611 563532194 /nfs/dbraw/zinc/53/21/94/563532194.db2.gz XYCXQITZUYCKMZ-NSHDSACASA-N 0 1 399.315 2.504 20 0 GFADMN CCN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430163406 563537178 /nfs/dbraw/zinc/53/71/78/563537178.db2.gz HPYYXANMCYQQRH-WMLDXEAASA-N 0 1 383.330 2.591 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1F ZINC000331207405 563540772 /nfs/dbraw/zinc/54/07/72/563540772.db2.gz YURBGADOAJTMSI-UONOGXRCSA-N 0 1 379.295 2.538 20 0 GFADMN C[C@@H]1CN(C(=O)CCOc2ccccc2Br)CCN1CC(C)(C)O ZINC000331279165 563543513 /nfs/dbraw/zinc/54/35/13/563543513.db2.gz AUDNWFBVHFJSIJ-CQSZACIVSA-N 0 1 399.329 2.522 20 0 GFADMN CC1(C)CN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCN1 ZINC000331435935 563549321 /nfs/dbraw/zinc/54/93/21/563549321.db2.gz RWFDNUTUOJIORA-UHFFFAOYSA-N 0 1 397.317 2.501 20 0 GFADMN CC(C)(N)c1noc(CN2CCO[C@H](c3ccc(Br)cc3)C2)n1 ZINC000431074810 563552742 /nfs/dbraw/zinc/55/27/42/563552742.db2.gz YERNGMPRQFGGSQ-ZDUSSCGKSA-N 0 1 381.274 2.599 20 0 GFADMN CNC(=O)CC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000286235532 563552985 /nfs/dbraw/zinc/55/29/85/563552985.db2.gz OJMCHOXTVOGNOB-LBPRGKRZSA-N 0 1 393.285 2.846 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)C=Cc2cc(Br)c3c(c2)OCCO3)n[nH]1 ZINC000286299309 563554874 /nfs/dbraw/zinc/55/48/74/563554874.db2.gz ICTSRBHCOUAQLM-CDAZIORVSA-N 0 1 393.241 2.537 20 0 GFADMN Cc1nc([C@@H](C)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n[nH]1 ZINC000331610169 563555076 /nfs/dbraw/zinc/55/50/76/563555076.db2.gz FLWQXZGGWVRXDK-PWSUYJOCSA-N 0 1 393.289 2.682 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cc(Br)nn2-c2ccc(C)cc2)n[nH]1 ZINC000286343683 563556888 /nfs/dbraw/zinc/55/68/88/563556888.db2.gz KZINCGPFYVQGCW-JTQLQIEISA-N 0 1 389.257 2.861 20 0 GFADMN COCC1CCN(C(=O)c2[nH]nc3ccc(I)cc32)CC1 ZINC000331898834 563565987 /nfs/dbraw/zinc/56/59/87/563565987.db2.gz DXBGZIAAQPGTMO-UHFFFAOYSA-N 0 1 399.232 2.666 20 0 GFADMN CC[C@@H]1[C@H](CO)CCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O 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C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332212018 563583907 /nfs/dbraw/zinc/58/39/07/563583907.db2.gz SOWFHESZTKJVQF-WDEREUQCSA-N 0 1 396.241 2.711 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc32)C[C@@H]1C ZINC000332225910 563585155 /nfs/dbraw/zinc/58/51/55/563585155.db2.gz BUNDLGGDKOGMLQ-DCGLDWPTSA-N 0 1 396.329 2.533 20 0 GFADMN COc1ccnc(N2CCN(C(=O)c3nc(C)sc3Br)CC2)c1 ZINC000410449815 563591238 /nfs/dbraw/zinc/59/12/38/563591238.db2.gz TTXBNBJRKXWLGR-UHFFFAOYSA-N 0 1 397.298 2.580 20 0 GFADMN COc1cc(C)c(Br)cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000287394517 563599905 /nfs/dbraw/zinc/59/99/05/563599905.db2.gz IVCHEANCMXKJJL-AWEZNQCLSA-N 0 1 397.313 2.560 20 0 GFADMN COc1cc(Cl)ccc1CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433070071 563601616 /nfs/dbraw/zinc/60/16/16/563601616.db2.gz WTUITXGIVVSMIJ-UHFFFAOYSA-N 0 1 384.885 2.507 20 0 GFADMN Cc1nc(CN2CCN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 ZINC000332496076 563601830 /nfs/dbraw/zinc/60/18/30/563601830.db2.gz 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382.262 2.703 20 0 GFADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1ccc(F)cc1Br ZINC000434560769 563632593 /nfs/dbraw/zinc/63/25/93/563632593.db2.gz BOHJJEKBHUIWPG-ZDUSSCGKSA-N 0 1 398.276 2.660 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000434634717 563633125 /nfs/dbraw/zinc/63/31/25/563633125.db2.gz TUJAABNTRKYFJG-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN O=C(c1ccc(F)c(Br)c1)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333547741 563635146 /nfs/dbraw/zinc/63/51/46/563635146.db2.gz IXNYPYMTGSWMOJ-UHFFFAOYSA-N 0 1 393.260 2.865 20 0 GFADMN C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000333675142 563638679 /nfs/dbraw/zinc/63/86/79/563638679.db2.gz JSTQBEAEPONLFT-OCCSQVGLSA-N 0 1 383.926 2.788 20 0 GFADMN COC[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000434782039 563638661 /nfs/dbraw/zinc/63/86/61/563638661.db2.gz DWECEOHCJQMJTQ-UVBJJODRSA-N 0 1 375.296 2.954 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000333675142 563638681 /nfs/dbraw/zinc/63/86/81/563638681.db2.gz JSTQBEAEPONLFT-OCCSQVGLSA-N 0 1 383.926 2.788 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@H]2CCOC3(CCC3)C2)sc1Br ZINC000333683323 563639418 /nfs/dbraw/zinc/63/94/18/563639418.db2.gz LPAXTBWETFKUFX-JTQLQIEISA-N 0 1 395.344 2.842 20 0 GFADMN COC[C@@H]1C[C@H](O)CN1[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000411904871 563640242 /nfs/dbraw/zinc/64/02/42/563640242.db2.gz AQDHELJIKCUJPU-RFHZTLPTSA-N 0 1 375.296 2.641 20 0 GFADMN CO[C@@](C)([C@@H](C)NCc1nnnn1-c1ccccc1Br)C1CC1 ZINC000411952595 563642502 /nfs/dbraw/zinc/64/25/02/563642502.db2.gz RFALGQOINFGOOR-BZNIZROVSA-N 0 1 380.290 2.718 20 0 GFADMN OC[C@@H](NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCOC1 ZINC000411990144 563643528 /nfs/dbraw/zinc/64/35/28/563643528.db2.gz QTOBXGXQDOSFOM-IONNQARKSA-N 0 1 386.183 2.883 20 0 GFADMN CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)cn1C ZINC000288557167 563647511 /nfs/dbraw/zinc/64/75/11/563647511.db2.gz ZLVBOMSAZLANAH-UHFFFAOYSA-N 0 1 384.841 2.534 20 0 GFADMN CC(C)(C(=O)N[C@@H]1CCN2CCCC[C@H]12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288565268 563648164 /nfs/dbraw/zinc/64/81/64/563648164.db2.gz FXYIRYAOTAOJNO-HZPDHXFCSA-N 0 1 384.929 2.635 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)CCN2CCCCC2)ccc1Br ZINC000435799948 563658966 /nfs/dbraw/zinc/65/89/66/563658966.db2.gz ROIKXLKBDJYARA-UHFFFAOYSA-N 0 1 375.332 2.864 20 0 GFADMN CCO[C@@H]1C[C@](CO)(NCc2cc3c(cc2Br)OCO3)C1(C)C ZINC000436387678 563669984 /nfs/dbraw/zinc/66/99/84/563669984.db2.gz KKIQNIWTONFBFG-NVXWUHKLSA-N 0 1 386.286 2.834 20 0 GFADMN COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Br ZINC000289400106 563673624 /nfs/dbraw/zinc/67/36/24/563673624.db2.gz GKMDPNJFXBOCTC-UHFFFAOYSA-N 0 1 396.373 2.917 20 0 GFADMN COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000436542407 563673701 /nfs/dbraw/zinc/67/37/01/563673701.db2.gz BOWTVFAYUYWAPJ-UHFFFAOYSA-N 0 1 385.302 2.774 20 0 GFADMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000289698188 563683623 /nfs/dbraw/zinc/68/36/23/563683623.db2.gz WCQLKIJAFMASMX-UHFFFAOYSA-N 0 1 378.897 2.601 20 0 GFADMN O=C(N=c1cc[nH]c2cc[nH+]cc21)c1cc(I)ccc1[O-] ZINC000436918299 563684754 /nfs/dbraw/zinc/68/47/54/563684754.db2.gz HEJZCCWTEAXDHL-UHFFFAOYSA-N 0 1 391.168 2.614 20 0 GFADMN O=C(CN1CCS[C@H]2CCCC[C@H]21)N1CCN(Cc2ccsc2)CC1 ZINC000437507295 563696103 /nfs/dbraw/zinc/69/61/03/563696103.db2.gz LULHOFUACDCAES-MSOLQXFVSA-N 0 1 379.595 2.752 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)NCc2nc3cccc(Br)c3[nH]2)[C@@H](C)O1 ZINC000413597799 563698558 /nfs/dbraw/zinc/69/85/58/563698558.db2.gz BBLDNTPKALTGQL-MXWKQRLJSA-N 0 1 381.274 2.938 20 0 GFADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000290114671 563699014 /nfs/dbraw/zinc/69/90/14/563699014.db2.gz SZCXXWPFBBYPPZ-NWDGAFQWSA-N 0 1 379.448 2.819 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000362713224 563708710 /nfs/dbraw/zinc/70/87/10/563708710.db2.gz YUFIHTWKKSOTIP-GXTWGEPZSA-N 0 1 392.301 2.937 20 0 GFADMN O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@H]1CCCCS1 ZINC000438683061 563708822 /nfs/dbraw/zinc/70/88/22/563708822.db2.gz GJAHUMOZZQTATB-CQSZACIVSA-N 0 1 378.479 2.502 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)cs1 ZINC000438766156 563710682 /nfs/dbraw/zinc/71/06/82/563710682.db2.gz QPZCLOAUPXCAQM-UHFFFAOYSA-N 0 1 375.431 2.793 20 0 GFADMN C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439279419 563721561 /nfs/dbraw/zinc/72/15/61/563721561.db2.gz YENOSQBLSYUVIO-NSHDSACASA-N 0 1 399.866 2.852 20 0 GFADMN Brc1cncc(Br)c1CNCCCO[C@@H]1CCOC1 ZINC000290810925 563722151 /nfs/dbraw/zinc/72/21/51/563722151.db2.gz GDBVQJJGNKCFPS-SNVBAGLBSA-N 0 1 394.107 2.892 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439350159 563722727 /nfs/dbraw/zinc/72/27/27/563722727.db2.gz CCQPDFVZRKDVIR-SNVBAGLBSA-N 0 1 388.693 2.594 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CNCC1(c2cccs2)CCCCC1 ZINC000290841963 563723469 /nfs/dbraw/zinc/72/34/69/563723469.db2.gz IVNSATRKRLAEPU-UHFFFAOYSA-N 0 1 382.555 2.591 20 0 GFADMN 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O=C([O-])CN1CC[C@@H]([N@@H+]2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000662213665 565355586 /nfs/dbraw/zinc/35/55/86/565355586.db2.gz BEPRUOXUXWILBS-JKSUJKDBSA-N 0 1 395.297 2.532 20 0 GFADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000662213665 565355589 /nfs/dbraw/zinc/35/55/89/565355589.db2.gz BEPRUOXUXWILBS-JKSUJKDBSA-N 0 1 395.297 2.532 20 0 GFADMN CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1Cl ZINC000662344850 565361954 /nfs/dbraw/zinc/36/19/54/565361954.db2.gz FNPLAINXHUSWLP-LBPRGKRZSA-N 0 1 387.933 2.507 20 0 GFADMN CN(C)S(=O)(=O)c1cc(NC(=O)CN(C)C[C@@H]2CC2(C)C)ccc1Cl ZINC000662344850 565361961 /nfs/dbraw/zinc/36/19/61/565361961.db2.gz FNPLAINXHUSWLP-LBPRGKRZSA-N 0 1 387.933 2.507 20 0 GFADMN CC(C)OC[C@H](N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000662450022 565368494 /nfs/dbraw/zinc/36/84/94/565368494.db2.gz ZEDBQURUZNYDPQ-LSDHHAIUSA-N 0 1 379.259 2.785 20 0 GFADMN COc1cc(Br)c(CNC(=O)c2cc(C(C)(C)N)no2)cc1OC ZINC000662569253 565377345 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CC(C)(C)n1cc(CNc2nc3ccc(I)cc3[nH]2)nn1 ZINC000594999674 565441375 /nfs/dbraw/zinc/44/13/75/565441375.db2.gz FXGLMDXEMIMMQH-UHFFFAOYSA-N 0 1 396.236 2.548 20 0 GFADMN CCN1CCN(CC(C)(C)Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663985983 565447822 /nfs/dbraw/zinc/44/78/22/565447822.db2.gz ZJTYSTOCLXXRAV-UHFFFAOYSA-N 0 1 382.350 2.945 20 0 GFADMN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000622015807 565455024 /nfs/dbraw/zinc/45/50/24/565455024.db2.gz LVIUEUSUAABXNC-LURJTMIESA-N 0 1 376.103 2.772 20 0 GFADMN C[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@@H]1CO ZINC000622227340 565468886 /nfs/dbraw/zinc/46/88/86/565468886.db2.gz JBQLLAUIANEVTC-DGCLKSJQSA-N 0 1 378.270 2.930 20 0 GFADMN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc(Br)cn1 ZINC000622786167 565474823 /nfs/dbraw/zinc/47/48/23/565474823.db2.gz POGDTICOQNDHKB-GHMZBOCLSA-N 0 1 397.191 2.791 20 0 GFADMN O=C(NCCCc1nc[nH]n1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000664736622 565477282 /nfs/dbraw/zinc/47/72/82/565477282.db2.gz 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565523100 /nfs/dbraw/zinc/52/31/00/565523100.db2.gz CIUZMSWQUFSANA-GOSISDBHSA-N 0 1 393.329 2.805 20 0 GFADMN COCc1nc(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)n[nH]1 ZINC000666115525 565523515 /nfs/dbraw/zinc/52/35/15/565523515.db2.gz GVAWJTFKXUWEAF-ZDUSSCGKSA-N 0 1 381.889 2.681 20 0 GFADMN COCc1nnc(CNC(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)[nH]1 ZINC000666115525 565523522 /nfs/dbraw/zinc/52/35/22/565523522.db2.gz GVAWJTFKXUWEAF-ZDUSSCGKSA-N 0 1 381.889 2.681 20 0 GFADMN COc1ncc(S(=O)(=O)N(CCN(C)C)Cc2cccs2)cc1Cl ZINC000645597039 565542940 /nfs/dbraw/zinc/54/29/40/565542940.db2.gz ODORMNHXLQEDMX-UHFFFAOYSA-N 0 1 389.930 2.558 20 0 GFADMN COc1ccc2c(c1)C[C@H](NCc1cc(Br)cnc1OC)CO2 ZINC000624134079 565543433 /nfs/dbraw/zinc/54/34/33/565543433.db2.gz HSQZOZNYMKCYFF-AWEZNQCLSA-N 0 1 379.254 2.955 20 0 GFADMN Cc1c(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)coc1C(=O)N(C)C ZINC000645633717 565546517 /nfs/dbraw/zinc/54/65/17/565546517.db2.gz LPFFMJVNZWCKRY-ZDUSSCGKSA-N 0 1 382.404 2.689 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)Cc2cc(Cl)ccc2Br)n[nH]1 ZINC000645713226 565554484 /nfs/dbraw/zinc/55/44/84/565554484.db2.gz NSAUBFCHWWCTPW-SSDOTTSWSA-N 0 1 393.694 2.710 20 0 GFADMN CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000645723292 565555333 /nfs/dbraw/zinc/55/53/33/565555333.db2.gz JYSUAWVPVXFBIM-ONGXEEELSA-N 0 1 384.807 2.563 20 0 GFADMN O=C1CCCN1C[C@H]1CCN(Cc2cccc(I)c2)C1 ZINC000597228403 565556735 /nfs/dbraw/zinc/55/67/35/565556735.db2.gz MPOILUBTQYYTJD-AWEZNQCLSA-N 0 1 384.261 2.736 20 0 GFADMN Cc1ccc(I)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000597520983 565562876 /nfs/dbraw/zinc/56/28/76/565562876.db2.gz AVVHCXUXRACWMA-SNVBAGLBSA-N 0 1 382.205 2.776 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc(Br)c1F ZINC000597563736 565564267 /nfs/dbraw/zinc/56/42/67/565564267.db2.gz BLCXKHBZMHTHJO-QMMMGPOBSA-N 0 1 397.204 2.552 20 0 GFADMN CO[C@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)C1CCC1 ZINC000667350552 565582724 /nfs/dbraw/zinc/58/27/24/565582724.db2.gz 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O=S(=O)(c1cc(-c2nc([C@@H]3CCCN3)no2)ccc1Cl)N1CCCC1 ZINC000647155548 565642183 /nfs/dbraw/zinc/64/21/83/565642183.db2.gz AHAYIQRFAMFREU-ZDUSSCGKSA-N 0 1 382.873 2.599 20 0 GFADMN Brc1cccc2c(CN3CCN([C@@H]4CCOC4)CC3)ccnc12 ZINC000668536311 565652554 /nfs/dbraw/zinc/65/25/54/565652554.db2.gz SAHLEYHDBAYZTG-OAHLLOKOSA-N 0 1 376.298 2.904 20 0 GFADMN CCS(=O)(=O)NCCN1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625703466 565655289 /nfs/dbraw/zinc/65/52/89/565655289.db2.gz HIQHJIWDYTZSPM-AWEZNQCLSA-N 0 1 393.372 2.555 20 0 GFADMN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1cc(F)c(Br)cc1F ZINC000625749904 565657195 /nfs/dbraw/zinc/65/71/95/565657195.db2.gz AVMDMYBSZDDPIB-HBNTYKKESA-N 0 1 382.245 2.790 20 0 GFADMN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776236 565657710 /nfs/dbraw/zinc/65/77/10/565657710.db2.gz XQJGHWZEZCSEAD-KGLIPLIRSA-N 0 1 381.929 2.673 20 0 GFADMN C[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C(=O)[O-] ZINC000647368369 565659160 /nfs/dbraw/zinc/65/91/60/565659160.db2.gz 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GFADMN CCn1c2ccc(F)cc2nc1Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736714210 599166544 /nfs/dbraw/zinc/16/65/44/599166544.db2.gz PSPHZZXXRDZUGA-UHFFFAOYSA-N 0 1 389.394 2.739 20 0 GFADMN O=C([O-])C1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)CC1 ZINC000740482308 596926612 /nfs/dbraw/zinc/92/66/12/596926612.db2.gz UBZJXDJEOKPOOU-HNNXBMFYSA-N 0 1 387.461 2.815 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000819385266 597046765 /nfs/dbraw/zinc/04/67/65/597046765.db2.gz LBMBXYGXSSTQAT-LBPRGKRZSA-N 0 1 379.254 2.908 20 0 GFADMN C[C@H](c1nn(CN(C)CC(=O)[O-])c(=S)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000739066040 597054448 /nfs/dbraw/zinc/05/44/48/597054448.db2.gz WDWZBTBODVHOTR-LLVKDONJSA-N 0 1 383.905 2.653 20 0 GFADMN O=C([O-])CSCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000579229686 597087604 /nfs/dbraw/zinc/08/76/04/597087604.db2.gz OUGPIRBKOUAFSH-MRXNPFEDSA-N 0 1 390.530 2.782 20 0 GFADMN O=C([O-])CSCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000579229686 597087608 /nfs/dbraw/zinc/08/76/08/597087608.db2.gz OUGPIRBKOUAFSH-MRXNPFEDSA-N 0 1 390.530 2.782 20 0 GFADMN CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620756 598148735 /nfs/dbraw/zinc/14/87/35/598148735.db2.gz SNOGEFIIUGGGNF-WOJBJXKFSA-N 0 1 387.524 2.794 20 0 GFADMN CC1(C)CN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000736214048 598243752 /nfs/dbraw/zinc/24/37/52/598243752.db2.gz NLDTYXZWCMGFKZ-UHFFFAOYSA-N 0 1 390.491 2.532 20 0 GFADMN O[C@@H](CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(F)c1 ZINC000738383979 598249343 /nfs/dbraw/zinc/24/93/43/598249343.db2.gz YUMFMNNSNGRCPV-IBGZPJMESA-N 0 1 383.427 2.583 20 0 GFADMN O=C(Nc1ccc(F)cc1)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000738164981 598301212 /nfs/dbraw/zinc/30/12/12/598301212.db2.gz AEYZXUAIJKZZDT-UHFFFAOYSA-N 0 1 398.417 2.996 20 0 GFADMN CN(Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736829132 598627203 /nfs/dbraw/zinc/62/72/03/598627203.db2.gz YZEWKKJIUBOMIR-KRWDZBQOSA-N 0 1 382.855 2.757 20 0 GFADMN C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCc2ccccc2C1 ZINC000736017036 598627285 /nfs/dbraw/zinc/62/72/85/598627285.db2.gz HJAHZAHIPZWWMV-ZDUSSCGKSA-N 0 1 395.442 2.574 20 0 GFADMN CCOc1ccc(CN2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000736644071 598631680 /nfs/dbraw/zinc/63/16/80/598631680.db2.gz RRVCQAUBVXMABX-UHFFFAOYSA-N 0 1 382.443 2.727 20 0 GFADMN Cc1ccccc1C(=O)NC1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737414703 598680899 /nfs/dbraw/zinc/68/08/99/598680899.db2.gz BGEHWIQJSFGNQG-UHFFFAOYSA-N 0 1 394.454 2.709 20 0 GFADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000738026894 598697776 /nfs/dbraw/zinc/69/77/76/598697776.db2.gz WQFYSZBJQFYMFL-UHFFFAOYSA-N 0 1 396.882 2.915 20 0 GFADMN COc1ccccc1OCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737151524 598765325 /nfs/dbraw/zinc/76/53/25/598765325.db2.gz FREMKLWBCUTTRI-UHFFFAOYSA-N 0 1 395.463 2.798 20 0 GFADMN FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000822723240 599440736 /nfs/dbraw/zinc/44/07/36/599440736.db2.gz AWRCXUALOUUKDV-AWEZNQCLSA-N 0 1 392.385 2.843 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000819939541 599451748 /nfs/dbraw/zinc/45/17/48/599451748.db2.gz FZVGDPLFOAJHRH-OCCSQVGLSA-N 0 1 376.461 2.633 20 0 GFADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000820913697 599466161 /nfs/dbraw/zinc/46/61/61/599466161.db2.gz JMGXELKDXDZMEN-ZDUSSCGKSA-N 0 1 398.492 2.783 20 0 GFADMN COc1ccc2ccccc2c1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000737119836 599482593 /nfs/dbraw/zinc/48/25/93/599482593.db2.gz HUWJHFCBLZIPES-UHFFFAOYSA-N 0 1 385.431 2.966 20 0 GFADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCCN1Cc2ccccc2C1 ZINC000822204703 599501853 /nfs/dbraw/zinc/50/18/53/599501853.db2.gz YBIAVEIZVVRSHY-UHFFFAOYSA-N 0 1 389.438 2.712 20 0 GFADMN Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000737399477 599561099 /nfs/dbraw/zinc/56/10/99/599561099.db2.gz KLAQCLOMNKGPHD-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN O=C(OCCC1CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823400583 599627679 /nfs/dbraw/zinc/62/76/79/599627679.db2.gz HAIVUBDEYHYBRH-UHFFFAOYSA-N 0 1 398.423 2.674 20 0 GFADMN Cc1nc(C(C)(C)NCCC(=O)Nc2sccc2-c2nn[nH]n2)sc1C ZINC000822423697 599645609 /nfs/dbraw/zinc/64/56/09/599645609.db2.gz MXAZSWBYKSGFME-UHFFFAOYSA-N 0 1 391.526 2.855 20 0 GFADMN O=C([O-])C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000650506565 599711375 /nfs/dbraw/zinc/71/13/75/599711375.db2.gz QNEUNJYQMVTKKT-GOSISDBHSA-N 0 1 391.537 2.503 20 0 GFADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000650506565 599711376 /nfs/dbraw/zinc/71/13/76/599711376.db2.gz QNEUNJYQMVTKKT-GOSISDBHSA-N 0 1 391.537 2.503 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000738533374 599714507 /nfs/dbraw/zinc/71/45/07/599714507.db2.gz TZYKBLAYNZKVPF-HNNXBMFYSA-N 0 1 389.496 2.504 20 0 GFADMN CCOc1ccc(C[C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C(=O)[O-])cc1 ZINC000737199745 599741123 /nfs/dbraw/zinc/74/11/23/599741123.db2.gz NMAAFSXRJQEWLB-KYHPRHEASA-N 0 1 376.497 2.706 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000736794062 599865552 /nfs/dbraw/zinc/86/55/52/599865552.db2.gz MQZQBDGSSQWVAW-APWZRJJASA-N 0 1 388.512 2.860 20 0 GFADMN CC[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737068740 599875142 /nfs/dbraw/zinc/87/51/42/599875142.db2.gz CTRAOUHKNVSXGX-UHFFFAOYSA-N 0 1 383.448 2.547 20 0 GFADMN CC[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000737068740 599875146 /nfs/dbraw/zinc/87/51/46/599875146.db2.gz CTRAOUHKNVSXGX-UHFFFAOYSA-N 0 1 383.448 2.547 20 0 GFADMN O=C([O-])C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)c(F)c1 ZINC000739786459 599878756 /nfs/dbraw/zinc/87/87/56/599878756.db2.gz YSLDSLWXLZVKLK-UHFFFAOYSA-N 0 1 388.370 2.538 20 0 GFADMN O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000739604330 599912854 /nfs/dbraw/zinc/91/28/54/599912854.db2.gz LBFZJPDTHWFKJM-YLJYHZDGSA-N 0 1 380.444 2.777 20 0 GFADMN CC(C)C[C@@H](NC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000736423029 599920196 /nfs/dbraw/zinc/92/01/96/599920196.db2.gz SNPJXLIVCXQDNI-MRXNPFEDSA-N 0 1 383.533 2.599 20 0 GFADMN O=C([O-])[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1cccc(F)c1 ZINC000540669225 599940999 /nfs/dbraw/zinc/94/09/99/599940999.db2.gz GDTOSRLPPGXPIJ-AZUAARDMSA-N 0 1 384.451 2.850 20 0 GFADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000736794505 599942889 /nfs/dbraw/zinc/94/28/89/599942889.db2.gz PRWUZNTUMKFHIA-OAHLLOKOSA-N 0 1 377.485 2.573 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1CC1)C(=O)[O-] ZINC000736579644 599950847 /nfs/dbraw/zinc/95/08/47/599950847.db2.gz VFKPFALBONDLKU-CZUORRHYSA-N 0 1 385.420 2.735 20 0 GFADMN Cc1ccc(N2CCC(C(=O)N[C@H](C(=O)[O-])c3cc(F)ccc3F)CC2)[nH+]c1 ZINC000738617426 599969940 /nfs/dbraw/zinc/96/99/40/599969940.db2.gz UGXQECJIJNYVLI-SFHVURJKSA-N 0 1 389.402 2.827 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738406177 599978908 /nfs/dbraw/zinc/97/89/08/599978908.db2.gz DKCMKNROUKJGHJ-GOSISDBHSA-N 0 1 397.479 2.602 20 0 GFADMN Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738171785 599995194 /nfs/dbraw/zinc/99/51/94/599995194.db2.gz ATOAKSGNRWKNFM-UHFFFAOYSA-N 0 1 391.431 2.514 20 0 GFADMN O=C([O-])COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739824348 600007405 /nfs/dbraw/zinc/00/74/05/600007405.db2.gz SZUBXBYADAMTKW-GOSISDBHSA-N 0 1 397.475 2.836 20 0 GFADMN O=C([O-])C1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000739407598 600022246 /nfs/dbraw/zinc/02/22/46/600022246.db2.gz OTYYRVSURDXPKY-FHERZECASA-N 0 1 379.526 2.903 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CC2)cs1 ZINC000738855266 600063019 /nfs/dbraw/zinc/06/30/19/600063019.db2.gz OOOUWDKIJLACLQ-UHFFFAOYSA-N 0 1 389.477 2.766 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1OCC(=O)[O-] ZINC000737187541 600068476 /nfs/dbraw/zinc/06/84/76/600068476.db2.gz WUIQLKGYGMIXTR-UHFFFAOYSA-N 0 1 384.432 2.641 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1OCC(=O)[O-] ZINC000737187541 600068477 /nfs/dbraw/zinc/06/84/77/600068477.db2.gz WUIQLKGYGMIXTR-UHFFFAOYSA-N 0 1 384.432 2.641 20 0 GFADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737050742 600070135 /nfs/dbraw/zinc/07/01/35/600070135.db2.gz OEQRTCGCHJVJHZ-UHFFFAOYSA-N 0 1 398.507 2.658 20 0 GFADMN CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cn1 ZINC000737050742 600070138 /nfs/dbraw/zinc/07/01/38/600070138.db2.gz OEQRTCGCHJVJHZ-UHFFFAOYSA-N 0 1 398.507 2.658 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000738518378 600094581 /nfs/dbraw/zinc/09/45/81/600094581.db2.gz KGXZOMMAYWCMJU-HZPDHXFCSA-N 0 1 382.464 2.849 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000738518377 600095600 /nfs/dbraw/zinc/09/56/00/600095600.db2.gz 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FJMNHQHRAIGHLU-NWDGAFQWSA-N 0 1 389.525 2.673 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739104275 602572288 /nfs/dbraw/zinc/57/22/88/602572288.db2.gz LVFBBRDAZVXDTB-IAGOWNOFSA-N 0 1 389.496 2.670 20 0 GFADMN C[C@H](C(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738613416 602589571 /nfs/dbraw/zinc/58/95/71/602589571.db2.gz JULXQMPSXGDRHA-UXPWSPDFSA-N 0 1 385.508 2.814 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739651490 602611588 /nfs/dbraw/zinc/61/15/88/602611588.db2.gz QDIJQVSWKVCUAJ-BBRMVZONSA-N 0 1 382.892 2.584 20 0 GFADMN O=C([O-])N1CCC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000740425651 602642565 /nfs/dbraw/zinc/64/25/65/602642565.db2.gz UDUJWGHZLKLEDZ-WMZOPIPTSA-N 0 1 391.487 2.934 20 0 GFADMN O=C([O-])N1CCC[C@H](CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000740506492 602652506 /nfs/dbraw/zinc/65/25/06/602652506.db2.gz HOQSZMQOTZWEKP-LJQANCHMSA-N 0 1 388.512 2.684 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)C1 ZINC000739011166 602705591 /nfs/dbraw/zinc/70/55/91/602705591.db2.gz ZTHNKBYHNVYFMD-FRQCXROJSA-N 0 1 388.512 2.900 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@@H]1NC(=O)[O-] ZINC000739182281 602777154 /nfs/dbraw/zinc/77/71/54/602777154.db2.gz WLVZBESVWTYBBR-ZFWWWQNUSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC[C@@H]1NC(=O)[O-] ZINC000739182281 602777155 /nfs/dbraw/zinc/77/71/55/602777155.db2.gz WLVZBESVWTYBBR-ZFWWWQNUSA-N 0 1 389.452 2.645 20 0 GFADMN COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(Br)c1OC ZINC000739905263 602791282 /nfs/dbraw/zinc/79/12/82/602791282.db2.gz HZMMQQJJOAPQRA-JQWIXIFHSA-N 0 1 387.274 2.944 20 0 GFADMN COc1ccc(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c(Br)c1OC ZINC000739905263 602791284 /nfs/dbraw/zinc/79/12/84/602791284.db2.gz HZMMQQJJOAPQRA-JQWIXIFHSA-N 0 1 387.274 2.944 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739181560 602796960 /nfs/dbraw/zinc/79/69/60/602796960.db2.gz SAFBPXMTZVREAV-SUNKGSAMSA-N 0 1 377.268 2.711 20 0 GFADMN CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000736417564 602839937 /nfs/dbraw/zinc/83/99/37/602839937.db2.gz WAPTUSGTVDDHBJ-DAYGRLMNSA-N 0 1 377.485 2.917 20 0 GFADMN CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000736417564 602839941 /nfs/dbraw/zinc/83/99/41/602839941.db2.gz WAPTUSGTVDDHBJ-DAYGRLMNSA-N 0 1 377.485 2.917 20 0 GFADMN CCc1ccc(C[NH+]2CCN(Cc3nc(C(C)(C)NC(=O)[O-])no3)CC2)s1 ZINC000739543471 602878024 /nfs/dbraw/zinc/87/80/24/602878024.db2.gz YEPHPEHHIRXTBA-UHFFFAOYSA-N 0 1 393.513 2.514 20 0 GFADMN COc1ccc([C@@H]2[C@@H](COC(=O)C3CCN(C(=O)[O-])CC3)CC[N@H+]2C)cc1 ZINC000738093941 602969440 /nfs/dbraw/zinc/96/94/40/602969440.db2.gz PHFALSIUVAEVIU-SJLPKXTDSA-N 0 1 376.453 2.621 20 0 GFADMN 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386.463 2.521 20 0 GFADMN CC(C)(C(=O)NOCCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000819891936 606838986 /nfs/dbraw/zinc/83/89/86/606838986.db2.gz MLFKKXHRCONSMP-UHFFFAOYSA-N 0 1 381.436 2.661 20 0 GFADMN Cc1ccc([C@@H](C)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822229530 606892168 /nfs/dbraw/zinc/89/21/68/606892168.db2.gz WNTXIOFHSRNWGK-NSHDSACASA-N 0 1 393.419 2.535 20 0 GFADMN Cn1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822596456 606929047 /nfs/dbraw/zinc/92/90/47/606929047.db2.gz KFOTWINODDQUSA-MOPGFXCFSA-N 0 1 389.463 2.624 20 0 GFADMN O=c1[nH]nc(SCc2ccc(F)c(-c3nn[nH]n3)c2)n1CCc1ccccc1 ZINC000823658018 607007800 /nfs/dbraw/zinc/00/78/00/607007800.db2.gz YNEDCOFCPRJGOJ-UHFFFAOYSA-N 0 1 397.439 2.838 20 0 GFADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000820427582 607055392 /nfs/dbraw/zinc/05/53/92/607055392.db2.gz TZIHARHHVGRERH-LBPRGKRZSA-N 0 1 382.399 2.813 20 0 GFADMN c1ccc(-c2ccc(CN3CCOC4(CCOCC4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823767697 607150921 /nfs/dbraw/zinc/15/09/21/607150921.db2.gz VTKSOVQXRISOCI-UHFFFAOYSA-N 0 1 391.475 2.915 20 0 GFADMN CCN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825460336 607825057 /nfs/dbraw/zinc/82/50/57/607825057.db2.gz UCZRBTJOQOORHK-HNNXBMFYSA-N 0 1 376.464 2.700 20 0 GFADMN Cc1cnn(CCCCCN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826320447 608071805 /nfs/dbraw/zinc/07/18/05/608071805.db2.gz REIXIVSUEZLASQ-LJQANCHMSA-N 0 1 381.484 2.615 20 0 GFADMN O=C1[C@H](NCc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477134 608110582 /nfs/dbraw/zinc/11/05/82/608110582.db2.gz WJSSJXVWJGEOJK-MRXNPFEDSA-N 0 1 386.818 2.554 20 0 GFADMN COc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000826195505 608123705 /nfs/dbraw/zinc/12/37/05/608123705.db2.gz WQUGZGPUHFBVKK-UHFFFAOYSA-N 0 1 398.898 2.847 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332265 608318548 /nfs/dbraw/zinc/31/85/48/608318548.db2.gz OXKXXINUWXGSMY-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332265 608318550 /nfs/dbraw/zinc/31/85/50/608318550.db2.gz OXKXXINUWXGSMY-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332265 608318552 /nfs/dbraw/zinc/31/85/52/608318552.db2.gz OXKXXINUWXGSMY-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332265 608318555 /nfs/dbraw/zinc/31/85/55/608318555.db2.gz OXKXXINUWXGSMY-KRWDZBQOSA-N 0 1 393.495 2.609 20 0 GFADMN O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826505956 608380040 /nfs/dbraw/zinc/38/00/40/608380040.db2.gz JCGBQIXHAAHKJS-LJQANCHMSA-N 0 1 387.846 2.839 20 0 GFADMN O[C@@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826505956 608380042 /nfs/dbraw/zinc/38/00/42/608380042.db2.gz JCGBQIXHAAHKJS-LJQANCHMSA-N 0 1 387.846 2.839 20 0 GFADMN OC[C@@H](NCc1cc(-c2nn[nH]n2)cs1)c1ccc(Br)cc1 ZINC000826508678 608451873 /nfs/dbraw/zinc/45/18/73/608451873.db2.gz YMTZBKZECXJGLW-CYBMUJFWSA-N 0 1 380.271 2.514 20 0 GFADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccc(O)c1 ZINC000824533117 608475922 /nfs/dbraw/zinc/47/59/22/608475922.db2.gz ZBMKDDPDNKYOPV-MNOVXSKESA-N 0 1 386.843 2.904 20 0 GFADMN C[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562300 608486952 /nfs/dbraw/zinc/48/69/52/608486952.db2.gz FBHOIKPRSFFLMM-JTQLQIEISA-N 0 1 397.439 2.905 20 0 GFADMN COc1ccccc1/C=C/CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826218400 608503015 /nfs/dbraw/zinc/50/30/15/608503015.db2.gz AUUSAMUPLGQXMG-GQCTYLIASA-N 0 1 390.491 2.706 20 0 GFADMN Cc1cc2cc(CN3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)oc2cc1C ZINC000826273026 608513602 /nfs/dbraw/zinc/51/36/02/608513602.db2.gz MGEXOEONXOZJJQ-UHFFFAOYSA-N 0 1 389.463 2.947 20 0 GFADMN Cc1cccc([C@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826295841 608533669 /nfs/dbraw/zinc/53/36/69/608533669.db2.gz AFEMHIWCSRTGBM-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN Cc1oc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c(-c2nn[nH]n2)c1C ZINC000826341483 608551139 /nfs/dbraw/zinc/55/11/39/608551139.db2.gz IVELXAWDQNPXDN-UHFFFAOYSA-N 0 1 390.394 2.818 20 0 GFADMN CC(=O)Nc1ccccc1CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824005533 608602587 /nfs/dbraw/zinc/60/25/87/608602587.db2.gz WRZVJCREEROHMA-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)s1 ZINC000826281934 608654777 /nfs/dbraw/zinc/65/47/77/608654777.db2.gz PWSUOOIMHMQVCS-UHFFFAOYSA-N 0 1 388.522 2.693 20 0 GFADMN COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826158596 608690750 /nfs/dbraw/zinc/69/07/50/608690750.db2.gz VTNDNXVUHCFORG-UHFFFAOYSA-N 0 1 375.404 2.516 20 0 GFADMN COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826158596 608690756 /nfs/dbraw/zinc/69/07/56/608690756.db2.gz VTNDNXVUHCFORG-UHFFFAOYSA-N 0 1 375.404 2.516 20 0 GFADMN COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826158596 608690757 /nfs/dbraw/zinc/69/07/57/608690757.db2.gz VTNDNXVUHCFORG-UHFFFAOYSA-N 0 1 375.404 2.516 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824884339 608845851 /nfs/dbraw/zinc/84/58/51/608845851.db2.gz NLAYMGQTIYLYSJ-RYUDHWBXSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824884339 608845854 /nfs/dbraw/zinc/84/58/54/608845854.db2.gz NLAYMGQTIYLYSJ-RYUDHWBXSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824884339 608845855 /nfs/dbraw/zinc/84/58/55/608845855.db2.gz NLAYMGQTIYLYSJ-RYUDHWBXSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC000824884339 608845858 /nfs/dbraw/zinc/84/58/58/608845858.db2.gz NLAYMGQTIYLYSJ-RYUDHWBXSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528816 609134714 /nfs/dbraw/zinc/13/47/14/609134714.db2.gz CMBNJJNWHCKUPI-UGSOOPFHSA-N 0 1 382.443 2.876 20 0 GFADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824533104 609136092 /nfs/dbraw/zinc/13/60/92/609136092.db2.gz YZOJPTGBYHBPRR-RYUDHWBXSA-N 0 1 389.456 2.821 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ncc(Cl)cc1Cl ZINC000826294927 609180747 /nfs/dbraw/zinc/18/07/47/609180747.db2.gz JSIBFHXAQSEACE-UHFFFAOYSA-N 0 1 388.218 2.635 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1-c1nn[nH]n1 ZINC000826229705 609298185 /nfs/dbraw/zinc/29/81/85/609298185.db2.gz NYVAMSNPOOCWEY-SECBINFHSA-N 0 1 386.437 2.648 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1-c1nn[nH]n1 ZINC000826229706 609298582 /nfs/dbraw/zinc/29/85/82/609298582.db2.gz NYVAMSNPOOCWEY-VIFPVBQESA-N 0 1 386.437 2.648 20 0 GFADMN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584531 609322941 /nfs/dbraw/zinc/32/29/41/609322941.db2.gz BUSYRLIOCYDZMV-CRAIPNDOSA-N 0 1 396.470 2.557 20 0 GFADMN Cn1cc(CNCc2ccc(Cl)cn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361848 609345003 /nfs/dbraw/zinc/34/50/03/609345003.db2.gz RTBMJYDMUSHBTA-UHFFFAOYSA-N 0 1 380.843 2.605 20 0 GFADMN CC[C@@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1Br)N(CC)CC ZINC000825039843 609345837 /nfs/dbraw/zinc/34/58/37/609345837.db2.gz XGGOLSHECCCQBH-AWEZNQCLSA-N 0 1 396.289 2.793 20 0 GFADMN Fc1ccc(CN2CCC(Nc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826374836 609464674 /nfs/dbraw/zinc/46/46/74/609464674.db2.gz NTYUCLQLEAEHRN-UHFFFAOYSA-N 0 1 392.442 2.730 20 0 GFADMN O=C(NCCSC(F)(F)F)c1cccc(I)c1O ZINC000755055998 655878997 /nfs/dbraw/zinc/87/89/97/655878997.db2.gz ZDEZQNHURRMYBV-UHFFFAOYSA-N 0 1 391.152 2.980 20 0 GFADMN C[C@@H]1C[C@@H](C)N(CCCCS(C)(=O)=O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294584 660189318 /nfs/dbraw/zinc/18/93/18/660189318.db2.gz WWODMGKDQOETLW-OAGGEKHMSA-N 0 1 376.563 2.682 20 0 GFADMN CCN1CCN(CC(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000817862662 660210796 /nfs/dbraw/zinc/21/07/96/660210796.db2.gz LHKLQKNWAHJXOA-LLVKDONJSA-N 0 1 378.826 2.569 20 0 GFADMN CN(CCc1ccccn1)C(=O)CNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819008997 660243161 /nfs/dbraw/zinc/24/31/61/660243161.db2.gz DQBCWCDGXYNIGY-QGZVFWFLSA-N 0 1 382.291 2.713 20 0 GFADMN CS(=O)(=O)c1ccc(CNC[C@H](O)c2cc(F)ccc2F)cc1Cl ZINC000819264288 660252729 /nfs/dbraw/zinc/25/27/29/660252729.db2.gz POJIKLHXRBIUPD-HNNXBMFYSA-N 0 1 375.824 2.845 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)c2cccc(I)c2O)CCCO1 ZINC000819406705 660258312 /nfs/dbraw/zinc/25/83/12/660258312.db2.gz UPBJGIZDWYFDSI-ZDUSSCGKSA-N 0 1 389.233 2.884 20 0 GFADMN COc1cc(C)c([S@](C)=O)cc1OC(=O)CSc1n[nH]c(=S)s1 ZINC000819679720 660266646 /nfs/dbraw/zinc/26/66/46/660266646.db2.gz HHZVWSJOCATOGR-QHCPKHFHSA-N 0 1 390.533 2.579 20 0 GFADMN C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)[C@H]1C(=O)OC(C)(C)C ZINC000819681763 660266920 /nfs/dbraw/zinc/26/69/20/660266920.db2.gz OZRVUFWBBSZBHI-MWLCHTKSSA-N 0 1 389.568 2.888 20 0 GFADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)c1 ZINC000820801483 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CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)Cn1cccn1 ZINC000171636933 551659735 /nfs/dbraw/zinc/65/97/35/551659735.db2.gz TWRKDIJUQIIGDB-AWEZNQCLSA-N 0 1 385.295 2.902 20 0 GFADMN COC(=O)[C@@H](C)CN(C(=O)c1[nH]nc2ccc(Br)cc21)C1CC1 ZINC000171773629 551663392 /nfs/dbraw/zinc/66/33/92/551663392.db2.gz WDGZOYXHYCAXCO-VIFPVBQESA-N 0 1 380.242 2.739 20 0 GFADMN C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)N1CCCC[C@H]1C ZINC000171869186 551665626 /nfs/dbraw/zinc/66/56/26/551665626.db2.gz WMPNAHBUYUGOOU-GHMZBOCLSA-N 0 1 393.285 2.845 20 0 GFADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000172831372 551687659 /nfs/dbraw/zinc/68/76/59/551687659.db2.gz HVQPAYPBEYWHGS-AWEZNQCLSA-N 0 1 387.933 2.658 20 0 GFADMN Cc1[nH]c(SCc2nc(CS(C)(=O)=O)no2)nc1Cc1ccccc1 ZINC000172898876 551689886 /nfs/dbraw/zinc/68/98/86/551689886.db2.gz CHNAMBKVWHHQAV-UHFFFAOYSA-N 0 1 378.479 2.529 20 0 GFADMN CNC(=O)Cn1ccc2ccc(NS(=O)(=O)c3cc(C)sc3C)cc21 ZINC000172898865 551689908 /nfs/dbraw/zinc/68/99/08/551689908.db2.gz 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NC(=O)[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)Cc1ccc(F)cc1 ZINC000436549138 563673620 /nfs/dbraw/zinc/67/36/20/563673620.db2.gz SNABXWRDACOZDP-JTQLQIEISA-N 0 1 385.222 2.912 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000436629456 563675447 /nfs/dbraw/zinc/67/54/47/563675447.db2.gz JOLZKYYVABYERD-SKDRFNHKSA-N 0 1 395.308 2.537 20 0 GFADMN C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436789448 563680313 /nfs/dbraw/zinc/68/03/13/563680313.db2.gz CQQUKBBVATVUCV-MRVPVSSYSA-N 0 1 392.091 2.693 20 0 GFADMN CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)nc2Cl)no1 ZINC000289655833 563682114 /nfs/dbraw/zinc/68/21/14/563682114.db2.gz VRANWWHHBAYLFY-MRVPVSSYSA-N 0 1 395.268 2.736 20 0 GFADMN CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc(Br)ccc1[O-] ZINC000436928662 563686034 /nfs/dbraw/zinc/68/60/34/563686034.db2.gz WOQSHPJDYQKOCT-UHFFFAOYSA-N 0 1 398.345 2.644 20 0 GFADMN O=C(c1c(O)cccc1F)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000436929590 563686117 /nfs/dbraw/zinc/68/61/17/563686117.db2.gz FMHFAMLJYMTWAX-HNNXBMFYSA-N 0 1 393.212 2.607 20 0 GFADMN CC(C)c1nc([C@H]2CCCCN2Cc2csc(CS(C)(=O)=O)n2)n[nH]1 ZINC000289780494 563686780 /nfs/dbraw/zinc/68/67/80/563686780.db2.gz MRAASSZCEAAPMH-CYBMUJFWSA-N 0 1 383.543 2.656 20 0 GFADMN COCC[C@H](C)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000413299888 563687809 /nfs/dbraw/zinc/68/78/09/563687809.db2.gz PCNUCIVDGPEZHG-NSHDSACASA-N 0 1 396.289 2.706 20 0 GFADMN COCC[C@H](C)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000413299888 563687813 /nfs/dbraw/zinc/68/78/13/563687813.db2.gz PCNUCIVDGPEZHG-NSHDSACASA-N 0 1 396.289 2.706 20 0 GFADMN CO[C@@H]1COC[C@H]1n1cc(CN[C@@H](C)Cc2c(Cl)cccc2Cl)nn1 ZINC000289906544 563690909 /nfs/dbraw/zinc/69/09/09/563690909.db2.gz UFXAIAAGCGLOJN-YMRXKLBXSA-N 0 1 385.295 2.892 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000360659521 563693635 /nfs/dbraw/zinc/69/36/35/563693635.db2.gz ZJBJJRQXXOLZLF-LLVKDONJSA-N 0 1 378.274 2.774 20 0 GFADMN COCC(COC)N1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000413470898 563694203 /nfs/dbraw/zinc/69/42/03/563694203.db2.gz DLTSKBPNWMJQOM-UHFFFAOYSA-N 0 1 394.313 2.781 20 0 GFADMN O=C1C[C@H]([C@H]2CCCCN2Cc2cnc3ccc(Br)cn23)CN1 ZINC000360810036 563695082 /nfs/dbraw/zinc/69/50/82/563695082.db2.gz NQRIBEDIHCWCML-SWLSCSKDSA-N 0 1 377.286 2.587 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000413557582 563697410 /nfs/dbraw/zinc/69/74/10/563697410.db2.gz SBNBXXXRASXXHR-DGCLKSJQSA-N 0 1 385.917 2.525 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437793114 563699583 /nfs/dbraw/zinc/69/95/83/563699583.db2.gz AXTUPGDYNWQEFW-HACGYAERSA-N 0 1 385.339 2.784 20 0 GFADMN O=C(NC1(CO)Cc2ccccc2C1)c1n[nH]c2ccc(Br)cc21 ZINC000437958923 563700538 /nfs/dbraw/zinc/70/05/38/563700538.db2.gz UMOWYQHWXBVKLM-UHFFFAOYSA-N 0 1 386.249 2.585 20 0 GFADMN CO[C@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C)C1CC1 ZINC000413843441 563707468 /nfs/dbraw/zinc/70/74/68/563707468.db2.gz JKUANAFYZLLWPK-PXAZEXFGSA-N 0 1 396.329 2.953 20 0 GFADMN Cc1cc(Br)oc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000290397699 563708423 /nfs/dbraw/zinc/70/84/23/563708423.db2.gz PLZADWBAPVKQFC-SECBINFHSA-N 0 1 397.191 2.881 20 0 GFADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cc(F)c(F)c(F)c3)cc2o1 ZINC000438755147 563709599 /nfs/dbraw/zinc/70/95/99/563709599.db2.gz FEIALCMYJYUJRR-UHFFFAOYSA-N 0 1 378.715 2.993 20 0 GFADMN C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569210 563714413 /nfs/dbraw/zinc/71/44/13/563714413.db2.gz FBUNRVSXBFGYEF-RNCFNFMXSA-N 0 1 393.207 2.678 20 0 GFADMN C[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc2N(C)C1=O ZINC000363317171 563718767 /nfs/dbraw/zinc/71/87/67/563718767.db2.gz VOLZXOQXCLGKLQ-VIFPVBQESA-N 0 1 380.520 2.565 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000363352039 563720315 /nfs/dbraw/zinc/72/03/15/563720315.db2.gz JRVOAERIEWENHI-NSHDSACASA-N 0 1 394.547 2.796 20 0 GFADMN CNS(=O)(=O)CCCN1CCC(c2ccccc2Br)CC1 ZINC000439258443 563721457 /nfs/dbraw/zinc/72/14/57/563721457.db2.gz IGROSKKAXAQBMD-UHFFFAOYSA-N 0 1 375.332 2.568 20 0 GFADMN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000363429777 563721979 /nfs/dbraw/zinc/72/19/79/563721979.db2.gz QMNHVCBYZRFEFS-UHFFFAOYSA-N 0 1 375.281 2.821 20 0 GFADMN Cc1nnc(SCC(=O)NCCc2c[nH]c3cccc(Br)c23)[nH]1 ZINC000290891525 563725083 /nfs/dbraw/zinc/72/50/83/563725083.db2.gz KDYSOYFWAORXCG-UHFFFAOYSA-N 0 1 394.298 2.808 20 0 GFADMN Cc1n[nH]c(SCC(=O)NCCc2c[nH]c3cccc(Br)c23)n1 ZINC000290891525 563725085 /nfs/dbraw/zinc/72/50/85/563725085.db2.gz KDYSOYFWAORXCG-UHFFFAOYSA-N 0 1 394.298 2.808 20 0 GFADMN C[C@H]1Oc2ccc(NS(=O)(=O)c3cnc4ccsc4c3)cc2NC1=O ZINC000439579061 563728857 /nfs/dbraw/zinc/72/88/57/563728857.db2.gz YKCBGIQAHZBPMZ-SECBINFHSA-N 0 1 375.431 2.817 20 0 GFADMN Cc1cc(N2CC[C@@H](NCc3cc(F)cc(Br)c3)C2=O)n(C)n1 ZINC000439565989 563729158 /nfs/dbraw/zinc/72/91/58/563729158.db2.gz SQGREOOXEKIYQE-CQSZACIVSA-N 0 1 381.249 2.525 20 0 GFADMN Cc1cc(C[NH+]2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)ccc1Cl ZINC000439797014 563731894 /nfs/dbraw/zinc/73/18/94/563731894.db2.gz ZEYQIWFPSZPJDM-UHFFFAOYSA-N 0 1 399.866 2.599 20 0 GFADMN Cc1[nH]ncc1CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000363826301 563734108 /nfs/dbraw/zinc/73/41/08/563734108.db2.gz HTGOAESMHFSMRH-ZDUSSCGKSA-N 0 1 378.274 2.559 20 0 GFADMN Cc1ccnc(C)c1NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000414448935 563738550 /nfs/dbraw/zinc/73/85/50/563738550.db2.gz AHEBUSDYAOLIHP-UHFFFAOYSA-N 0 1 388.898 2.697 20 0 GFADMN O=c1[nH]c2cc(F)c(S(=O)(=O)NC3(C(F)(F)F)CCCCC3)cc2o1 ZINC000414449646 563738892 /nfs/dbraw/zinc/73/88/92/563738892.db2.gz DIIWOZNLKSQNBK-UHFFFAOYSA-N 0 1 382.335 2.804 20 0 GFADMN O=C(c1[nH]nc2c1CNCC2)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000364004185 563740176 /nfs/dbraw/zinc/74/01/76/563740176.db2.gz SHBKKCWSLZBHNK-OAHLLOKOSA-N 0 1 375.270 2.795 20 0 GFADMN CN(C)CCN(C1CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000414464173 563740518 /nfs/dbraw/zinc/74/05/18/563740518.db2.gz PAUXMSQAAUWFHQ-UHFFFAOYSA-N 0 1 381.723 2.817 20 0 GFADMN CNC(=O)NC(=O)[C@@H](C)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000440492205 563742989 /nfs/dbraw/zinc/74/29/89/563742989.db2.gz SWQLJKFCQRUTDU-GFCCVEGCSA-N 0 1 382.302 2.647 20 0 GFADMN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000364144991 563744852 /nfs/dbraw/zinc/74/48/52/563744852.db2.gz QCHXJIVOMPSCAV-IUODEOHRSA-N 0 1 378.270 2.895 20 0 GFADMN O[C@H](CNCc1cc(C(F)(F)F)n[nH]1)COc1ccccc1Br ZINC000440631698 563746105 /nfs/dbraw/zinc/74/61/05/563746105.db2.gz ZKCJYQRVROVMHB-SNVBAGLBSA-N 0 1 394.191 2.721 20 0 GFADMN COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000364284143 563748249 /nfs/dbraw/zinc/74/82/49/563748249.db2.gz JHZNFOYPPSYBDF-LLVKDONJSA-N 0 1 394.273 2.665 20 0 GFADMN O=C(NCCc1ccc(Br)s1)N1CCC(c2nc[nH]n2)CC1 ZINC000364294672 563749099 /nfs/dbraw/zinc/74/90/99/563749099.db2.gz HEDQSJBXYGFPPS-UHFFFAOYSA-N 0 1 384.303 2.760 20 0 GFADMN CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000414665513 563749231 /nfs/dbraw/zinc/74/92/31/563749231.db2.gz ULCFFCXGBRLQRL-BXUZGUMPSA-N 0 1 377.243 2.932 20 0 GFADMN COc1cc(S(=O)(=O)NC2CCN(Cc3cccs3)CC2)ccc1F ZINC000364391263 563752348 /nfs/dbraw/zinc/75/23/48/563752348.db2.gz ZHZQIBXYDGSKIO-UHFFFAOYSA-N 0 1 384.498 2.839 20 0 GFADMN Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@H]1CN(C)CCN1C ZINC000441009295 563753618 /nfs/dbraw/zinc/75/36/18/563753618.db2.gz KKYASCRRKJWWLE-AWEZNQCLSA-N 0 1 380.945 2.908 20 0 GFADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H](n2cncn2)C1 ZINC000364527397 563755874 /nfs/dbraw/zinc/75/58/74/563755874.db2.gz PNDNSRZUAGWFDT-LBPRGKRZSA-N 0 1 387.241 2.518 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN(C)CCC1CC1 ZINC000441252729 563757406 /nfs/dbraw/zinc/75/74/06/563757406.db2.gz BOJDGAFPTQGJBB-UHFFFAOYSA-N 0 1 396.329 2.886 20 0 GFADMN CCn1cnc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000441545985 563762464 /nfs/dbraw/zinc/76/24/64/563762464.db2.gz NIMNMWUNOYTFFS-CQSZACIVSA-N 0 1 379.873 2.959 20 0 GFADMN Cc1cnc(Br)c(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000291999272 563768170 /nfs/dbraw/zinc/76/81/70/563768170.db2.gz HMOKKCWXUKABNC-UHFFFAOYSA-N 0 1 397.317 2.729 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000364938316 563769661 /nfs/dbraw/zinc/76/96/61/563769661.db2.gz UTDWUMGSWTXKGE-NSHDSACASA-N 0 1 375.694 2.631 20 0 GFADMN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000365104003 563773977 /nfs/dbraw/zinc/77/39/77/563773977.db2.gz YMBXTJVDANXZMM-QMMMGPOBSA-N 0 1 379.244 2.819 20 0 GFADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)C(=O)NCCc1cccs1 ZINC000292128757 563775086 /nfs/dbraw/zinc/77/50/86/563775086.db2.gz IMXIMJOUNMVCET-LRDDRELGSA-N 0 1 397.338 2.881 20 0 GFADMN C[C@@H]1CN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@H]1CO ZINC000365360155 563780828 /nfs/dbraw/zinc/78/08/28/563780828.db2.gz VZAWDWDRDKRLGN-BIENJYKASA-N 0 1 376.547 2.844 20 0 GFADMN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000442843020 563781226 /nfs/dbraw/zinc/78/12/26/563781226.db2.gz RKJNMKOSKUUPJL-AWEZNQCLSA-N 0 1 375.512 2.570 20 0 GFADMN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000415577227 563784947 /nfs/dbraw/zinc/78/49/47/563784947.db2.gz YWLRSYONWSBZJQ-VHSXEESVSA-N 0 1 391.871 2.845 20 0 GFADMN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)[C@H](C)CN1 ZINC000415573118 563785061 /nfs/dbraw/zinc/78/50/61/563785061.db2.gz VIJSSMGGYSQXMG-GHMZBOCLSA-N 0 1 378.885 2.611 20 0 GFADMN COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)nn1 ZINC000292477569 563788531 /nfs/dbraw/zinc/78/85/31/563788531.db2.gz RWOZIPHQFFUKEV-MRXNPFEDSA-N 0 1 380.901 2.514 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000366459356 563808944 /nfs/dbraw/zinc/80/89/44/563808944.db2.gz XNPFAVCZWNQLER-MRXNPFEDSA-N 0 1 379.532 2.915 20 0 GFADMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)s1 ZINC000443742543 563811076 /nfs/dbraw/zinc/81/10/76/563811076.db2.gz ZFXUDSAGXACTIG-LLVKDONJSA-N 0 1 390.347 2.670 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(Br)c(Cl)c1)N(C)C1CC1 ZINC000443756299 563811808 /nfs/dbraw/zinc/81/18/08/563811808.db2.gz JWKXAIISUQLCNI-VIFPVBQESA-N 0 1 381.723 2.864 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000443965839 563817200 /nfs/dbraw/zinc/81/72/00/563817200.db2.gz KUFGGTLYJVCPNS-UHFFFAOYSA-N 0 1 388.917 2.527 20 0 GFADMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n[nH]1 ZINC000366720959 563817867 /nfs/dbraw/zinc/81/78/67/563817867.db2.gz UFBUEBPCOXYMCY-CYBMUJFWSA-N 0 1 382.873 2.537 20 0 GFADMN CCOC1CC(CNCc2ncc(C(F)(F)F)s2)(N2CCOCC2)C1 ZINC000366859544 563822375 /nfs/dbraw/zinc/82/23/75/563822375.db2.gz YFXPEWDSQSNXGF-UHFFFAOYSA-N 0 1 379.448 2.521 20 0 GFADMN CCCCCN(CCO)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444329621 563828508 /nfs/dbraw/zinc/82/85/08/563828508.db2.gz PMYZLRJKADJAPG-UHFFFAOYSA-N 0 1 381.270 2.915 20 0 GFADMN O=C(N[C@@H]1CCC[C@@H]1CCO)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444354789 563829424 /nfs/dbraw/zinc/82/94/24/563829424.db2.gz VUHALFSTKIWQFR-QMTHXVAHSA-N 0 1 379.254 2.572 20 0 GFADMN COC1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000416546869 563846482 /nfs/dbraw/zinc/84/64/82/563846482.db2.gz UIVHDUNSALCJDD-UHFFFAOYSA-N 0 1 384.242 2.963 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN(C)C[C@H]1CCCO1 ZINC000294562420 563846592 /nfs/dbraw/zinc/84/65/92/563846592.db2.gz MNIUESSPNCGVSL-IUODEOHRSA-N 0 1 385.302 2.573 20 0 GFADMN O=C1C[C@@H](CNCc2ncc(I)s2)c2ccccc2N1 ZINC000367601404 563850195 /nfs/dbraw/zinc/85/01/95/563850195.db2.gz OASLWRPTOGKFBG-VIFPVBQESA-N 0 1 399.257 2.963 20 0 GFADMN COc1cc(Br)c(CN[C@@H]2CCN(c3ccn(C)n3)C2)c(OC)c1 ZINC000367695370 563852216 /nfs/dbraw/zinc/85/22/16/563852216.db2.gz FICVUVNEDWXHTH-GFCCVEGCSA-N 0 1 395.301 2.568 20 0 GFADMN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1ccsc1 ZINC000416606082 563852449 /nfs/dbraw/zinc/85/24/49/563852449.db2.gz NLBDRCMGZMZJJN-SJLPKXTDSA-N 0 1 380.535 2.564 20 0 GFADMN Brc1cc2c(cc1Cc1noc([C@@H]3C[C@@H]3c3nc[nH]n3)n1)OCO2 ZINC000367976247 563861026 /nfs/dbraw/zinc/86/10/26/563861026.db2.gz ALMSDXDAFUGXJR-DTWKUNHWSA-N 0 1 390.197 2.541 20 0 GFADMN CS(=O)(=O)CCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000368079043 563863280 /nfs/dbraw/zinc/86/32/80/563863280.db2.gz MWMOVUYZSGQVEL-OLZOCXBDSA-N 0 1 383.901 2.651 20 0 GFADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000417053552 563866605 /nfs/dbraw/zinc/86/66/05/563866605.db2.gz FBTUHTUPUSXIMW-SECBINFHSA-N 0 1 378.231 2.701 20 0 GFADMN COc1cc(CN2CC[C@H](CC(F)(F)F)C2)cc(Cl)c1OCC(N)=O ZINC000446972960 563871822 /nfs/dbraw/zinc/87/18/22/563871822.db2.gz BNNQWXHAUZAUDT-SNVBAGLBSA-N 0 1 380.794 2.987 20 0 GFADMN O=C(NCc1ccc(Br)cc1)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000368517990 563872848 /nfs/dbraw/zinc/87/28/48/563872848.db2.gz GHWCGKHDTIMHGJ-NVXWUHKLSA-N 0 1 396.329 2.749 20 0 GFADMN COC1(CO)CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000447097514 563874820 /nfs/dbraw/zinc/87/48/20/563874820.db2.gz LPWASVRTUXQVLV-UHFFFAOYSA-N 0 1 394.313 2.917 20 0 GFADMN CCNC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000447254056 563878459 /nfs/dbraw/zinc/87/84/59/563878459.db2.gz AEPTTXCOXMSFOA-UHFFFAOYSA-N 0 1 383.861 2.568 20 0 GFADMN O=C(COc1ccccc1Br)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000368822086 563879216 /nfs/dbraw/zinc/87/92/16/563879216.db2.gz JVOVASRELXZSOY-MRXNPFEDSA-N 0 1 387.237 2.852 20 0 GFADMN Cc1cc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc(F)c1Br ZINC000417539323 563882130 /nfs/dbraw/zinc/88/21/30/563882130.db2.gz DVXBZWLQZSOLSJ-UHFFFAOYSA-N 0 1 388.281 2.817 20 0 GFADMN COC(=O)c1coc([C@H](C)NCCNC(=O)c2ccc(Br)cc2)c1 ZINC000447537923 563883102 /nfs/dbraw/zinc/88/31/02/563883102.db2.gz ZNAONKNHOVWTPL-NSHDSACASA-N 0 1 395.253 2.909 20 0 GFADMN COC[C@@H](O)CN1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000368998851 563884182 /nfs/dbraw/zinc/88/41/82/563884182.db2.gz LSTKPJBYJDTTTO-UONOGXRCSA-N 0 1 382.258 2.643 20 0 GFADMN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[C@@H]2N2CCOCC2)c1Br ZINC000369056763 563885658 /nfs/dbraw/zinc/88/56/58/563885658.db2.gz HVLPWKNCJQKJRO-OLZOCXBDSA-N 0 1 399.333 2.526 20 0 GFADMN 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CN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821574688 607354320 /nfs/dbraw/zinc/35/43/20/607354320.db2.gz SBJXDIDPXPIYQU-UHFFFAOYSA-N 0 1 398.492 2.679 20 0 GFADMN CC/C=C\COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736413445 598414297 /nfs/dbraw/zinc/41/42/97/598414297.db2.gz YMUVWMXPPVKREV-ARJAWSKDSA-N 0 1 398.423 2.841 20 0 GFADMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737073904 598453637 /nfs/dbraw/zinc/45/36/37/598453637.db2.gz VEOMUAKHBSKWQS-NWDGAFQWSA-N 0 1 384.415 2.692 20 0 GFADMN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1sccc1-c1nn[nH]n1 ZINC000737996828 598496348 /nfs/dbraw/zinc/49/63/48/598496348.db2.gz QWIDBWDGNHZONE-INIZCTEOSA-N 0 1 382.493 2.885 20 0 GFADMN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1sccc1-c1nn[nH]n1 ZINC000737996832 598496469 /nfs/dbraw/zinc/49/64/69/598496469.db2.gz QWIDBWDGNHZONE-MRXNPFEDSA-N 0 1 382.493 2.885 20 0 GFADMN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736434326 598618182 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20 0 GFADMN Brc1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)s1 ZINC000735369826 599481556 /nfs/dbraw/zinc/48/15/56/599481556.db2.gz XPXXTUTUWGHCKD-UHFFFAOYSA-N 0 1 390.270 2.628 20 0 GFADMN CN(CCc1ccc(F)cc1)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821604683 599567427 /nfs/dbraw/zinc/56/74/27/599567427.db2.gz AQZDUBVNDOHVBK-UHFFFAOYSA-N 0 1 379.399 2.730 20 0 GFADMN CCc1ccc(CN2CCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)s1 ZINC000736690685 599589011 /nfs/dbraw/zinc/58/90/11/599589011.db2.gz MHHZGTAFVHZQLA-UHFFFAOYSA-N 0 1 386.500 2.948 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236130 599719337 /nfs/dbraw/zinc/71/93/37/599719337.db2.gz KMZAFNMMZFDVAI-UONOGXRCSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236130 599719339 /nfs/dbraw/zinc/71/93/39/599719339.db2.gz KMZAFNMMZFDVAI-UONOGXRCSA-N 0 1 393.484 2.748 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000184954960 599728343 /nfs/dbraw/zinc/72/83/43/599728343.db2.gz WMALYQQYTWKAMF-UHFFFAOYSA-N 0 1 396.896 2.968 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000737869259 599752489 /nfs/dbraw/zinc/75/24/89/599752489.db2.gz YXVPTVBRXCBFEE-ROUUACIJSA-N 0 1 385.460 2.931 20 0 GFADMN CC1(C)CN(C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000659756209 599776535 /nfs/dbraw/zinc/77/65/35/599776535.db2.gz KNJCBLCEPXZWNA-UHFFFAOYSA-N 0 1 382.460 2.887 20 0 GFADMN CC1(C)CN(C(=O)c2cccc(OCC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000659756209 599776537 /nfs/dbraw/zinc/77/65/37/599776537.db2.gz KNJCBLCEPXZWNA-UHFFFAOYSA-N 0 1 382.460 2.887 20 0 GFADMN C[N@@H+](CCN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1)Cc1ccccc1 ZINC000737441350 599804843 /nfs/dbraw/zinc/80/48/43/599804843.db2.gz NAFPDNNSMVCWQG-UHFFFAOYSA-N 0 1 396.491 2.666 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc(CCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737516560 599811016 /nfs/dbraw/zinc/81/10/16/599811016.db2.gz 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/nfs/dbraw/zinc/65/61/47/600656147.db2.gz RHGRJWSOCIDINN-WOUAJJJCSA-N 0 1 388.508 2.803 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000382559425 600726763 /nfs/dbraw/zinc/72/67/63/600726763.db2.gz QFQYOFNWJDWJKQ-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000382559425 600726765 /nfs/dbraw/zinc/72/67/65/600726765.db2.gz QFQYOFNWJDWJKQ-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN CC(C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[NH+]1CCCC1 ZINC000736349980 600735231 /nfs/dbraw/zinc/73/52/31/600735231.db2.gz SERYXQXQLUHTRS-MRXNPFEDSA-N 0 1 394.493 2.537 20 0 GFADMN O=C([O-])CCCOc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000739686588 600772975 /nfs/dbraw/zinc/77/29/75/600772975.db2.gz NGMLJJYVFXJNTD-HXUWFJFHSA-N 0 1 398.459 2.770 20 0 GFADMN O=C([O-])CCCOc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000739686588 600772976 /nfs/dbraw/zinc/77/29/76/600772976.db2.gz NGMLJJYVFXJNTD-HXUWFJFHSA-N 0 1 398.459 2.770 20 0 GFADMN O=C([O-])c1ccsc1N1CC[C@@H]([NH+]2CCC(c3nccs3)CC2)C1=O ZINC000833336079 600795087 /nfs/dbraw/zinc/79/50/87/600795087.db2.gz JSJFDACPHXBLNJ-CYBMUJFWSA-N 0 1 377.491 2.888 20 0 GFADMN COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCC(=O)N(C)CC(=O)[O-])C1 ZINC000738012892 600796133 /nfs/dbraw/zinc/79/61/33/600796133.db2.gz ANLOOEUTMJKLJJ-CQSZACIVSA-N 0 1 382.888 2.536 20 0 GFADMN O=C([O-])c1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000833321009 600801962 /nfs/dbraw/zinc/80/19/62/600801962.db2.gz FACIFHIVXWDGSR-UHFFFAOYSA-N 0 1 396.915 2.994 20 0 GFADMN O=C([O-])NCCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000833279592 600809361 /nfs/dbraw/zinc/80/93/61/600809361.db2.gz KMYMXLDOYJYKSJ-HNNXBMFYSA-N 0 1 387.402 2.557 20 0 GFADMN COc1cc(-c2noc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)n2)ccc1OC(F)F ZINC000262679012 600843955 /nfs/dbraw/zinc/84/39/55/600843955.db2.gz SAKSFYICBUCQHI-NSHDSACASA-N 0 1 383.351 2.643 20 0 GFADMN C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC000737749852 600848259 /nfs/dbraw/zinc/84/82/59/600848259.db2.gz RVWZLXOSTAPWDS-GFCCVEGCSA-N 0 1 395.525 2.530 20 0 GFADMN C[N@@H+](CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C1CCCC1 ZINC000737998555 600855553 /nfs/dbraw/zinc/85/55/53/600855553.db2.gz XRTIXBIUXKTTMZ-UHFFFAOYSA-N 0 1 395.525 2.673 20 0 GFADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792221 607473107 /nfs/dbraw/zinc/47/31/07/607473107.db2.gz QAFBJEAZKPCHRY-LIRRHRJNSA-N 0 1 375.480 2.868 20 0 GFADMN c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792221 607473109 /nfs/dbraw/zinc/47/31/09/607473109.db2.gz QAFBJEAZKPCHRY-LIRRHRJNSA-N 0 1 375.480 2.868 20 0 GFADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792221 607473112 /nfs/dbraw/zinc/47/31/12/607473112.db2.gz QAFBJEAZKPCHRY-LIRRHRJNSA-N 0 1 375.480 2.868 20 0 GFADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792221 607473114 /nfs/dbraw/zinc/47/31/14/607473114.db2.gz QAFBJEAZKPCHRY-LIRRHRJNSA-N 0 1 375.480 2.868 20 0 GFADMN CN1CC[NH+](CCOc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000830954900 600937469 /nfs/dbraw/zinc/93/74/69/600937469.db2.gz QKXARAASLWOCPI-UHFFFAOYSA-N 0 1 398.463 2.655 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000833321195 600942198 /nfs/dbraw/zinc/94/21/98/600942198.db2.gz LRRPEPQQMKMRBY-HXUWFJFHSA-N 0 1 382.460 2.935 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000736919027 600953344 /nfs/dbraw/zinc/95/33/44/600953344.db2.gz WKWPAZMYHDCHGR-HXUWFJFHSA-N 0 1 398.488 2.911 20 0 GFADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)[O-])s1 ZINC000737280206 600965752 /nfs/dbraw/zinc/96/57/52/600965752.db2.gz DNGMDQLUNUOWGF-CDCQXCROSA-N 0 1 383.539 2.898 20 0 GFADMN O[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)COc1cccc2ccccc21 ZINC000823682395 607478491 /nfs/dbraw/zinc/47/84/91/607478491.db2.gz POQLMINKRLPBPB-KRWDZBQOSA-N 0 1 393.422 2.689 20 0 GFADMN C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736823869 600980203 /nfs/dbraw/zinc/98/02/03/600980203.db2.gz DMPICRIFLRFLIV-YCRPNKLZSA-N 0 1 391.471 2.727 20 0 GFADMN C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736823869 600980205 /nfs/dbraw/zinc/98/02/05/600980205.db2.gz DMPICRIFLRFLIV-YCRPNKLZSA-N 0 1 391.471 2.727 20 0 GFADMN C[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000382591160 600990918 /nfs/dbraw/zinc/99/09/18/600990918.db2.gz GJZWCFBTPSJJRJ-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000382591160 600990919 /nfs/dbraw/zinc/99/09/19/600990919.db2.gz GJZWCFBTPSJJRJ-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])ccc1Br ZINC000314074539 601012447 /nfs/dbraw/zinc/01/24/47/601012447.db2.gz UHYJHMUHXWNGEW-GFCCVEGCSA-N 0 1 387.299 2.588 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])ccc1Br ZINC000314074539 601012451 /nfs/dbraw/zinc/01/24/51/601012451.db2.gz UHYJHMUHXWNGEW-GFCCVEGCSA-N 0 1 387.299 2.588 20 0 GFADMN CCN(C(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1)c1nc2ccccc2s1 ZINC000829590660 601049406 /nfs/dbraw/zinc/04/94/06/601049406.db2.gz AITWXWMKGHADEM-UHFFFAOYSA-N 0 1 391.493 2.605 20 0 GFADMN CC[C@]1(C(C)C)NC(=O)N(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC000736930692 601089693 /nfs/dbraw/zinc/08/96/93/601089693.db2.gz YFNJAWSYULUWKW-FOIQADDNSA-N 0 1 375.469 2.523 20 0 GFADMN CC[C@]1(C(C)C)NC(=O)N(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1=O ZINC000736930692 601089697 /nfs/dbraw/zinc/08/96/97/601089697.db2.gz YFNJAWSYULUWKW-FOIQADDNSA-N 0 1 375.469 2.523 20 0 GFADMN COc1cc(C[N@H+](CC(=O)[O-])C[C@H](O)c2ccc(F)cc2C)cc(OC)c1 ZINC000831990097 601113691 /nfs/dbraw/zinc/11/36/91/601113691.db2.gz ZWSMJNVHOQASKB-IBGZPJMESA-N 0 1 377.412 2.772 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000830682396 601113733 /nfs/dbraw/zinc/11/37/33/601113733.db2.gz XVUXRWXFOSLCBF-UHFFFAOYSA-N 0 1 391.468 2.655 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000736131863 601114402 /nfs/dbraw/zinc/11/44/02/601114402.db2.gz YQFFHAGREMAACX-OAHLLOKOSA-N 0 1 375.425 2.712 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000736131863 601114403 /nfs/dbraw/zinc/11/44/03/601114403.db2.gz YQFFHAGREMAACX-OAHLLOKOSA-N 0 1 375.425 2.712 20 0 GFADMN CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830681728 601116103 /nfs/dbraw/zinc/11/61/03/601116103.db2.gz DWFHEFRIUDWLSU-FQEVSTJZSA-N 0 1 381.476 2.920 20 0 GFADMN Cc1ccc(NC(=O)N2CC[N@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000832945609 601133753 /nfs/dbraw/zinc/13/37/53/601133753.db2.gz HABIHDURXOGINK-JXFKEZNVSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1ccc(NC(=O)N2CC[N@@H+](C[C@H](O)c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000832945609 601133754 /nfs/dbraw/zinc/13/37/54/601133754.db2.gz HABIHDURXOGINK-JXFKEZNVSA-N 0 1 397.475 2.965 20 0 GFADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c(C)c1C(=O)[O-] ZINC000832942188 601169508 /nfs/dbraw/zinc/16/95/08/601169508.db2.gz VQXJRIWXTTWBEY-HNNXBMFYSA-N 0 1 398.463 2.567 20 0 GFADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c(C)c1C(=O)[O-] ZINC000832942188 601169509 /nfs/dbraw/zinc/16/95/09/601169509.db2.gz VQXJRIWXTTWBEY-HNNXBMFYSA-N 0 1 398.463 2.567 20 0 GFADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000833170271 601184155 /nfs/dbraw/zinc/18/41/55/601184155.db2.gz GQJBSBRFEUHYSJ-FQEVSTJZSA-N 0 1 388.414 2.868 20 0 GFADMN CN(C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1)c1ccccc1C(=O)[O-] ZINC000830478264 601220284 /nfs/dbraw/zinc/22/02/84/601220284.db2.gz OGYGOZAENHZQJC-SFHVURJKSA-N 0 1 381.476 2.948 20 0 GFADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000829666971 601228463 /nfs/dbraw/zinc/22/84/63/601228463.db2.gz XZGYYQCKGASPQK-XLNAKTSKSA-N 0 1 392.477 2.739 20 0 GFADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccco1 ZINC000829666968 601228548 /nfs/dbraw/zinc/22/85/48/601228548.db2.gz XZGYYQCKGASPQK-GKUQOKNUSA-N 0 1 392.477 2.739 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829395433 601231328 /nfs/dbraw/zinc/23/13/28/601231328.db2.gz FPEJNSIGBOQHLP-GKUQOKNUSA-N 0 1 380.510 2.717 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000062358291 601261603 /nfs/dbraw/zinc/26/16/03/601261603.db2.gz PSDLBJFNMDCUDJ-INIZCTEOSA-N 0 1 382.869 2.619 20 0 GFADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000828295614 601261999 /nfs/dbraw/zinc/26/19/99/601261999.db2.gz LDFQMASEPOOJJJ-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000828295614 601262001 /nfs/dbraw/zinc/26/20/01/601262001.db2.gz LDFQMASEPOOJJJ-CQSZACIVSA-N 0 1 394.518 2.731 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000829765490 601264858 /nfs/dbraw/zinc/26/48/58/601264858.db2.gz WOYVBSXDACYMGL-GFCCVEGCSA-N 0 1 394.415 2.508 20 0 GFADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000830905156 601318708 /nfs/dbraw/zinc/31/87/08/601318708.db2.gz CJICVPHEBWGKAD-YLJYHZDGSA-N 0 1 392.459 2.954 20 0 GFADMN C[C@@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1N1CCOCC1 ZINC000828464335 601324731 /nfs/dbraw/zinc/32/47/31/601324731.db2.gz UDLXHWBPVDWBIX-KDOFPFPSSA-N 0 1 387.505 2.661 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1N1CCOCC1 ZINC000828464335 601324733 /nfs/dbraw/zinc/32/47/33/601324733.db2.gz UDLXHWBPVDWBIX-KDOFPFPSSA-N 0 1 387.505 2.661 20 0 GFADMN CCN(Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825435251 607501019 /nfs/dbraw/zinc/50/10/19/607501019.db2.gz RFRWYKUYEXEHGL-SFHVURJKSA-N 0 1 392.463 2.503 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829162268 601338717 /nfs/dbraw/zinc/33/87/17/601338717.db2.gz QODBIQNHGPAENW-CABCVRRESA-N 0 1 389.452 2.652 20 0 GFADMN CC[N@@H+](CCC(=O)[O-])CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000829701926 601414570 /nfs/dbraw/zinc/41/45/70/601414570.db2.gz TVIMFDWZLMTULQ-HXUWFJFHSA-N 0 1 394.899 2.933 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828438152 601506380 /nfs/dbraw/zinc/50/63/80/601506380.db2.gz DAAQLVCLCLKSCF-WBMJQRKESA-N 0 1 376.840 2.869 20 0 GFADMN Cc1cc2ncn(C[C@H](O)C[N@H+]3CCc4ccccc4[C@H]3C(=O)[O-])c2cc1C ZINC000652486386 601544510 /nfs/dbraw/zinc/54/45/10/601544510.db2.gz ZRLLSKOVAOBALH-UTKZUKDTSA-N 0 1 379.460 2.698 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C[N@H+]1C1CC1 ZINC000828177133 601557199 /nfs/dbraw/zinc/55/71/99/601557199.db2.gz NZCVTISCJHCVJZ-TZMCWYRMSA-N 0 1 382.464 2.559 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843541 601600988 /nfs/dbraw/zinc/60/09/88/601600988.db2.gz XJGPSLLWIWTING-KBPBESRZSA-N 0 1 385.468 2.707 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1C(=O)[O-] ZINC000832843541 601600989 /nfs/dbraw/zinc/60/09/89/601600989.db2.gz XJGPSLLWIWTING-KBPBESRZSA-N 0 1 385.468 2.707 20 0 GFADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000828363243 601665203 /nfs/dbraw/zinc/66/52/03/601665203.db2.gz UQPNYJDMQKXUGM-HNAYVOBHSA-N 0 1 385.464 2.774 20 0 GFADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000828363243 601665205 /nfs/dbraw/zinc/66/52/05/601665205.db2.gz UQPNYJDMQKXUGM-HNAYVOBHSA-N 0 1 385.464 2.774 20 0 GFADMN CCOc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000830099710 601727634 /nfs/dbraw/zinc/72/76/34/601727634.db2.gz LPJRHRBIQBXVCA-QFIPXVFZSA-N 0 1 382.460 2.935 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCOc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128873 601730076 /nfs/dbraw/zinc/73/00/76/601730076.db2.gz OVVRCSCDCBBBMS-CVDCTZTESA-N 0 1 394.471 2.788 20 0 GFADMN CCc1nc(C)c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000830309595 601730616 /nfs/dbraw/zinc/73/06/16/601730616.db2.gz JOHRPHQYXVGXJZ-HXUWFJFHSA-N 0 1 387.505 2.863 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)COC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128204 601733437 /nfs/dbraw/zinc/73/34/37/601733437.db2.gz AXUHVUCMSDLGGD-QFIPXVFZSA-N 0 1 380.444 2.566 20 0 GFADMN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[NH+]1CCC(CCC(=O)[O-])CC1)C2=O ZINC000828156882 601799036 /nfs/dbraw/zinc/79/90/36/601799036.db2.gz UAEVQBQGNZXCKL-XOBRGWDASA-N 0 1 379.501 2.658 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000833008876 601800230 /nfs/dbraw/zinc/80/02/30/601800230.db2.gz APTHTLPRTWCUKF-LLVKDONJSA-N 0 1 391.474 2.980 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000298656480 601833675 /nfs/dbraw/zinc/83/36/75/601833675.db2.gz BFRKKXHLVFTPMK-AWEZNQCLSA-N 0 1 394.880 2.591 20 0 GFADMN O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000298656480 601833677 /nfs/dbraw/zinc/83/36/77/601833677.db2.gz BFRKKXHLVFTPMK-AWEZNQCLSA-N 0 1 394.880 2.591 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706443 601906583 /nfs/dbraw/zinc/90/65/83/601906583.db2.gz LFKHANMLXPJYQN-YVEFUNNKSA-N 0 1 387.329 2.740 20 0 GFADMN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCC(=O)N(C)CC(=O)[O-] ZINC000833015716 601908068 /nfs/dbraw/zinc/90/80/68/601908068.db2.gz KEODAUIPHBVDDZ-AWEZNQCLSA-N 0 1 384.908 2.571 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000833221654 601925411 /nfs/dbraw/zinc/92/54/11/601925411.db2.gz JSCAPACSFCQBFY-KGLIPLIRSA-N 0 1 388.411 2.703 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000833221654 601925413 /nfs/dbraw/zinc/92/54/13/601925413.db2.gz JSCAPACSFCQBFY-KGLIPLIRSA-N 0 1 388.411 2.703 20 0 GFADMN O=C([O-])N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000740370484 601929839 /nfs/dbraw/zinc/92/98/39/601929839.db2.gz XZSUVSWAIOPYMC-OALUTQOASA-N 0 1 384.480 2.620 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119574 601956335 /nfs/dbraw/zinc/95/63/35/601956335.db2.gz XGLPEZRNVYNMDT-KXBFYZLASA-N 0 1 387.505 2.852 20 0 GFADMN Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c2cccs2)cc1 ZINC000740119574 601956340 /nfs/dbraw/zinc/95/63/40/601956340.db2.gz XGLPEZRNVYNMDT-KXBFYZLASA-N 0 1 387.505 2.852 20 0 GFADMN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738614987 601959308 /nfs/dbraw/zinc/95/93/08/601959308.db2.gz DFWRNXKNPSCRTB-SJORKVTESA-N 0 1 381.476 2.870 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000739584241 601972787 /nfs/dbraw/zinc/97/27/87/601972787.db2.gz JGUFRLIKPFZCCF-NWDGAFQWSA-N 0 1 377.268 2.807 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000740243081 601974148 /nfs/dbraw/zinc/97/41/48/601974148.db2.gz PGSPKQJTALMLEZ-GOSISDBHSA-N 0 1 399.495 2.892 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CC(C)(C)O3)c1-c1nn[nH]n1 ZINC000826304064 607538061 /nfs/dbraw/zinc/53/80/61/607538061.db2.gz URSIYGSPZPGCOF-UHFFFAOYSA-N 0 1 385.449 2.689 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000828259003 602054425 /nfs/dbraw/zinc/05/44/25/602054425.db2.gz VTOACNZCOFRSRO-ZWKOTPCHSA-N 0 1 393.572 2.675 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000828259003 602054426 /nfs/dbraw/zinc/05/44/26/602054426.db2.gz VTOACNZCOFRSRO-ZWKOTPCHSA-N 0 1 393.572 2.675 20 0 GFADMN O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000833153026 602104769 /nfs/dbraw/zinc/10/47/69/602104769.db2.gz IFVCFNRAWQGKGN-JKSUJKDBSA-N 0 1 381.860 2.803 20 0 GFADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000826118571 602105955 /nfs/dbraw/zinc/10/59/55/602105955.db2.gz NOIJSQBZRWDHJC-ZWKOTPCHSA-N 0 1 389.496 2.814 20 0 GFADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC000740184223 602161731 /nfs/dbraw/zinc/16/17/31/602161731.db2.gz OGOFFAOEIQLCSK-UHFFFAOYSA-N 0 1 388.512 2.602 20 0 GFADMN COc1ccc(CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])C2CC2)cc1 ZINC000739905527 602264703 /nfs/dbraw/zinc/26/47/03/602264703.db2.gz SNSLEHSEDONELT-DNVCBOLYSA-N 0 1 389.496 2.697 20 0 GFADMN COc1ccc(CN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)[O-])C2CC2)cc1 ZINC000739905531 602265122 /nfs/dbraw/zinc/26/51/22/602265122.db2.gz SNSLEHSEDONELT-HNAYVOBHSA-N 0 1 389.496 2.697 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cn1 ZINC000740235295 602281715 /nfs/dbraw/zinc/28/17/15/602281715.db2.gz FBJQOQAAVAFANB-UHFFFAOYSA-N 0 1 392.419 2.938 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000740345015 602297129 /nfs/dbraw/zinc/29/71/29/602297129.db2.gz CZPIEMDRPIEDKH-HNNXBMFYSA-N 0 1 387.402 2.525 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383427793 602327940 /nfs/dbraw/zinc/32/79/40/602327940.db2.gz VHJLEWRJGRZNEG-SFHVURJKSA-N 0 1 388.489 2.588 20 0 GFADMN O=C([O-])C1(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CCCCC1 ZINC000833104775 602346114 /nfs/dbraw/zinc/34/61/14/602346114.db2.gz FAYNQOSTFFIMIX-DLBZAZTESA-N 0 1 392.496 2.851 20 0 GFADMN Cn1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1C(=O)[O-] ZINC000833049672 602358693 /nfs/dbraw/zinc/35/86/93/602358693.db2.gz FRHLIJSLKVBUAM-UHFFFAOYSA-N 0 1 392.406 2.788 20 0 GFADMN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC2)c1 ZINC000739945254 602363503 /nfs/dbraw/zinc/36/35/03/602363503.db2.gz IYPGTQFLGFGGLY-MRXNPFEDSA-N 0 1 377.485 2.679 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000828441962 602379796 /nfs/dbraw/zinc/37/97/96/602379796.db2.gz VQUNYMGRZOSPGS-UMVBOHGHSA-N 0 1 379.432 2.629 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000833319283 602384676 /nfs/dbraw/zinc/38/46/76/602384676.db2.gz JDUMOPNMWDAQHG-UHFFFAOYSA-N 0 1 377.441 2.978 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000828019784 602389390 /nfs/dbraw/zinc/38/93/90/602389390.db2.gz CSDHEHFAABQUPH-PGRDOPGGSA-N 0 1 394.427 2.907 20 0 GFADMN C[C@H](NC(=O)[O-])C1CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1 ZINC000739014429 602445762 /nfs/dbraw/zinc/44/57/62/602445762.db2.gz JAOJRJBOQYFXRJ-LBPRGKRZSA-N 0 1 388.493 2.777 20 0 GFADMN COc1ccc(-c2noc(C[NH+]3CCC([C@H](C)NC(=O)[O-])CC3)n2)c(OC)c1 ZINC000739882975 602464732 /nfs/dbraw/zinc/46/47/32/602464732.db2.gz LTOWTAPZOVDNNP-LBPRGKRZSA-N 0 1 390.440 2.622 20 0 GFADMN CCC(CC)[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000739251352 602498125 /nfs/dbraw/zinc/49/81/25/602498125.db2.gz AWPHXOJLYWBQQN-QGZVFWFLSA-N 0 1 381.448 2.782 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000737926786 602522768 /nfs/dbraw/zinc/52/27/68/602522768.db2.gz CFDRBNRVYRHOBB-INIZCTEOSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C[C@H]1CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739666660 602535023 /nfs/dbraw/zinc/53/50/23/602535023.db2.gz SWUHZHKPDFSUOB-LLVKDONJSA-N 0 1 375.498 2.584 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1)C(=O)[O-] ZINC000739666660 602535026 /nfs/dbraw/zinc/53/50/26/602535026.db2.gz SWUHZHKPDFSUOB-LLVKDONJSA-N 0 1 375.498 2.584 20 0 GFADMN C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H](CNC(=O)[O-])C4)nc(N)c32)C1 ZINC000739115387 602551576 /nfs/dbraw/zinc/55/15/76/602551576.db2.gz RHSRLCDQSFUAQN-NEPJUHHUSA-N 0 1 389.525 2.530 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118790 602557551 /nfs/dbraw/zinc/55/75/51/602557551.db2.gz SISGJSVKWMDHJM-KBXCAEBGSA-N 0 1 375.494 2.850 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])c2cccs2)cc1 ZINC000740118790 602557552 /nfs/dbraw/zinc/55/75/52/602557552.db2.gz SISGJSVKWMDHJM-KBXCAEBGSA-N 0 1 375.494 2.850 20 0 GFADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000739115823 602561901 /nfs/dbraw/zinc/56/19/01/602561901.db2.gz UVPRHNYJNIHOJT-MNOVXSKESA-N 0 1 377.514 2.529 20 0 GFADMN CCCN(C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739350608 602618718 /nfs/dbraw/zinc/61/87/18/602618718.db2.gz JOHJLYMJZMMHKJ-GOEBONIOSA-N 0 1 394.541 2.669 20 0 GFADMN CCCN(C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739350608 602618721 /nfs/dbraw/zinc/61/87/21/602618721.db2.gz JOHJLYMJZMMHKJ-GOEBONIOSA-N 0 1 394.541 2.669 20 0 GFADMN CN(C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000739649693 602625263 /nfs/dbraw/zinc/62/52/63/602625263.db2.gz LIKRAYISIJTAHJ-RTBURBONSA-N 0 1 388.512 2.540 20 0 GFADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)C1 ZINC000738853235 602637277 /nfs/dbraw/zinc/63/72/77/602637277.db2.gz GFWXCBJFMFDITM-AEFFLSMTSA-N 0 1 380.533 2.671 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739059437 602651122 /nfs/dbraw/zinc/65/11/22/602651122.db2.gz OXDGVKBUZKFYOM-ZHALLVOQSA-N 0 1 388.512 2.901 20 0 GFADMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000738905487 602671639 /nfs/dbraw/zinc/67/16/39/602671639.db2.gz ALPGSGFYBUYODQ-MRVPVSSYSA-N 0 1 377.228 2.676 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)C3CCC(NC(=O)[O-])CC3)CCCCC2)CCO1 ZINC000739064037 602677474 /nfs/dbraw/zinc/67/74/74/602677474.db2.gz QZTJFAQJEXDQBT-UHFFFAOYSA-N 0 1 395.544 2.743 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739606746 602692919 /nfs/dbraw/zinc/69/29/19/602692919.db2.gz GOIVPWIKZWYBDQ-CJNGLKHVSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000739104171 602697625 /nfs/dbraw/zinc/69/76/25/602697625.db2.gz KPXLZSLKRTWDTA-HOTGVXAUSA-N 0 1 376.501 2.653 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174018 602761522 /nfs/dbraw/zinc/76/15/22/602761522.db2.gz HBSWCDNHXQHAMP-MGPQQGTHSA-N 0 1 390.509 2.621 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174018 602761525 /nfs/dbraw/zinc/76/15/25/602761525.db2.gz HBSWCDNHXQHAMP-MGPQQGTHSA-N 0 1 390.509 2.621 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179711 602787870 /nfs/dbraw/zinc/78/78/70/602787870.db2.gz WZKUWJNWIIOEKH-GYSYKLTISA-N 0 1 389.374 2.890 20 0 GFADMN C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179711 602787872 /nfs/dbraw/zinc/78/78/72/602787872.db2.gz WZKUWJNWIIOEKH-GYSYKLTISA-N 0 1 389.374 2.890 20 0 GFADMN COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(Br)c1OC ZINC000739905266 602791386 /nfs/dbraw/zinc/79/13/86/602791386.db2.gz HZMMQQJJOAPQRA-ZYHUDNBSSA-N 0 1 387.274 2.944 20 0 GFADMN COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(Br)c1OC ZINC000739905266 602791389 /nfs/dbraw/zinc/79/13/89/602791389.db2.gz HZMMQQJJOAPQRA-ZYHUDNBSSA-N 0 1 387.274 2.944 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739181562 602797076 /nfs/dbraw/zinc/79/70/76/602797076.db2.gz SAFBPXMTZVREAV-UHIISALHSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])Nc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)c(O)c1 ZINC000740700077 602854442 /nfs/dbraw/zinc/85/44/42/602854442.db2.gz PSCOPTVJVSUKKS-UHFFFAOYSA-N 0 1 375.450 2.544 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739081640 602913825 /nfs/dbraw/zinc/91/38/25/602913825.db2.gz JXOHHQRGBPDVRX-BHIYHBOVSA-N 0 1 388.512 2.823 20 0 GFADMN CN(Cc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1)C(=O)[O-] ZINC000739706626 602991113 /nfs/dbraw/zinc/99/11/13/602991113.db2.gz CPAGDQSYEWWCFI-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN CN(Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1)C(=O)[O-] ZINC000739706626 602991117 /nfs/dbraw/zinc/99/11/17/602991117.db2.gz CPAGDQSYEWWCFI-IBGZPJMESA-N 0 1 383.448 2.636 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739055094 603030602 /nfs/dbraw/zinc/03/06/02/603030602.db2.gz CRULTVDSBRTAHR-YJBOKZPZSA-N 0 1 390.484 2.686 20 0 GFADMN C[C@H](c1ccc(NC(=O)NCCCN(C(=O)[O-])C2CC2)cc1)[NH+]1CCOCC1 ZINC000739054674 603031073 /nfs/dbraw/zinc/03/10/73/603031073.db2.gz CEDMUZYBICSVLL-OAHLLOKOSA-N 0 1 390.484 2.734 20 0 GFADMN C[C@H](c1ccc(NC(=O)NCC2CCN(C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739059102 603031155 /nfs/dbraw/zinc/03/11/55/603031155.db2.gz SBEYUVQMKTUJCV-OAHLLOKOSA-N 0 1 390.484 2.591 20 0 GFADMN CC(C)C[C@H](CNC(=O)[O-])NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000738805755 603197017 /nfs/dbraw/zinc/19/70/17/603197017.db2.gz NSZXXBPMQWSSGK-MAUKXSAKSA-N 0 1 392.500 2.884 20 0 GFADMN O=C([O-])N[C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000740566636 603256966 /nfs/dbraw/zinc/25/69/66/603256966.db2.gz UUZMRMYUXDHTRI-UXHICEINSA-N 0 1 387.524 2.980 20 0 GFADMN C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738985042 603298178 /nfs/dbraw/zinc/29/81/78/603298178.db2.gz YBHOENVWMRTODR-WDSOQIARSA-N 0 1 388.512 2.729 20 0 GFADMN COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CC[N@H+]2C)cc1 ZINC000829331603 603451471 /nfs/dbraw/zinc/45/14/71/603451471.db2.gz LCOKSGZUBIKXBU-MUQADHOPSA-N 0 1 376.453 2.668 20 0 GFADMN C[C@H](CNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)[N@H+]1CCC[C@H](C)C1 ZINC000825920177 603476454 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LJUZUJURAWBQGN-HSBZDZAISA-N 0 1 383.439 2.523 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1F ZINC000830818178 604031832 /nfs/dbraw/zinc/03/18/32/604031832.db2.gz IEFKVTPTSYBCNX-UHFFFAOYSA-N 0 1 389.431 2.604 20 0 GFADMN O=C([O-])N[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000832365938 604035323 /nfs/dbraw/zinc/03/53/23/604035323.db2.gz OMZSKIJPNYOZBM-SWLSCSKDSA-N 0 1 383.395 2.515 20 0 GFADMN O=C([O-])N[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000832365938 604035327 /nfs/dbraw/zinc/03/53/27/604035327.db2.gz OMZSKIJPNYOZBM-SWLSCSKDSA-N 0 1 383.395 2.515 20 0 GFADMN COc1ccc([C@H]2CC[N@@H+](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])C2)cc1 ZINC000829330957 604041137 /nfs/dbraw/zinc/04/11/37/604041137.db2.gz CWLPNEUYDUYYIY-JBACZVJFSA-N 0 1 384.476 2.724 20 0 GFADMN Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCCCNC(=O)[O-])CC1 ZINC000830329320 604102232 /nfs/dbraw/zinc/10/22/32/604102232.db2.gz RFEHDQPYBKYDRQ-UHFFFAOYSA-N 0 1 383.876 2.726 20 0 GFADMN COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NC(=O)[O-] ZINC000829591067 604110647 /nfs/dbraw/zinc/11/06/47/604110647.db2.gz AOCSHCXPUJDVPT-YJBOKZPZSA-N 0 1 389.496 2.775 20 0 GFADMN C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000826028028 604158840 /nfs/dbraw/zinc/15/88/40/604158840.db2.gz ZZZNPDQFUFYVDC-IJEWVQPXSA-N 0 1 380.514 2.525 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])[C@H]1c1cccs1 ZINC000828473450 604159710 /nfs/dbraw/zinc/15/97/10/604159710.db2.gz VGTTTZVTWDOQOR-YCPHGPKFSA-N 0 1 380.514 2.573 20 0 GFADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252686 604176445 /nfs/dbraw/zinc/17/64/45/604176445.db2.gz FVLLTDBCDNWVJW-GZBFAFLISA-N 0 1 383.439 2.852 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000824329752 604218260 /nfs/dbraw/zinc/21/82/60/604218260.db2.gz LFFGVKBKGFHCIV-GOSISDBHSA-N 0 1 376.501 2.757 20 0 GFADMN C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823703651 604226572 /nfs/dbraw/zinc/22/65/72/604226572.db2.gz PJSLXKZRPXMDST-CQSZACIVSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2csc(CNC(=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000825852536 604240370 /nfs/dbraw/zinc/24/03/70/604240370.db2.gz NWYIBMCZQXKFLL-ZFWWWQNUSA-N 0 1 388.493 2.694 20 0 GFADMN CC(=O)c1cccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825957313 604308392 /nfs/dbraw/zinc/30/83/92/604308392.db2.gz QQRKCRBALDCJLM-QFIPXVFZSA-N 0 1 380.444 2.738 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2ccnn2C2CCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129003 604309592 /nfs/dbraw/zinc/30/95/92/604309592.db2.gz RDJIPAGHEVZPJE-QFIPXVFZSA-N 0 1 396.491 2.847 20 0 GFADMN C[N@H+]1CCC[C@H]2CN(C(=O)C3(c4ccccc4)CCN(C(=O)[O-])CC3)CC[C@@H]21 ZINC000828481422 604351861 /nfs/dbraw/zinc/35/18/61/604351861.db2.gz OMJDDYKWDZMLAF-HKUYNNGSSA-N 0 1 385.508 2.641 20 0 GFADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000827016425 604404368 /nfs/dbraw/zinc/40/43/68/604404368.db2.gz OQQKFLMGKACCMK-AWEZNQCLSA-N 0 1 387.274 2.588 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000832041182 604458522 /nfs/dbraw/zinc/45/85/22/604458522.db2.gz PURNXBODBMITEM-LLGFUMIMSA-N 0 1 382.460 2.898 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000832049273 604465839 /nfs/dbraw/zinc/46/58/39/604465839.db2.gz HDBLBIQWSMVJSU-GOSISDBHSA-N 0 1 394.468 2.630 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000832040272 604474758 /nfs/dbraw/zinc/47/47/58/604474758.db2.gz BQUYTEHZXIRMHH-KDOFPFPSSA-N 0 1 392.496 2.704 20 0 GFADMN C[C@@H]1CN(Cc2ccc(C[NH2+]CC3CCN(C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000826059662 604499337 /nfs/dbraw/zinc/49/93/37/604499337.db2.gz YEVPUUHZVOIGSN-IAGOWNOFSA-N 0 1 375.513 2.775 20 0 GFADMN CSCC[C@H](NC(=O)[O-])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000829723471 604507733 /nfs/dbraw/zinc/50/77/33/604507733.db2.gz RXNSMQOHPUKPQM-WBVHZDCISA-N 0 1 385.574 2.879 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828369844 604520733 /nfs/dbraw/zinc/52/07/33/604520733.db2.gz NARVDCVHTATZLB-XJKSGUPXSA-N 0 1 389.477 2.718 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828369844 604520737 /nfs/dbraw/zinc/52/07/37/604520737.db2.gz NARVDCVHTATZLB-XJKSGUPXSA-N 0 1 389.477 2.718 20 0 GFADMN C[C@H](c1ccccn1)[N@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000833548926 604564320 /nfs/dbraw/zinc/56/43/20/604564320.db2.gz IPUUQKNJGBFLOS-AUUYWEPGSA-N 0 1 380.448 2.809 20 0 GFADMN C[C@H](c1ccccn1)[N@@H+](C)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000833548926 604564324 /nfs/dbraw/zinc/56/43/24/604564324.db2.gz IPUUQKNJGBFLOS-AUUYWEPGSA-N 0 1 380.448 2.809 20 0 GFADMN C[C@H]1C[C@H](NC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C[N@H+]1C1CC1 ZINC000828176302 604595974 /nfs/dbraw/zinc/59/59/74/604595974.db2.gz IBMDCMSKWJLXOB-KSSFIOAISA-N 0 1 386.496 2.596 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000833698660 604706753 /nfs/dbraw/zinc/70/67/53/604706753.db2.gz SBEKQNVTNQTVBW-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000833698660 604706755 /nfs/dbraw/zinc/70/67/55/604706755.db2.gz SBEKQNVTNQTVBW-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833731014 604725193 /nfs/dbraw/zinc/72/51/93/604725193.db2.gz RSMHAJKZRHCMLF-LJQANCHMSA-N 0 1 398.459 2.595 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CC1)C(=O)[O-] ZINC000827449653 604739381 /nfs/dbraw/zinc/73/93/81/604739381.db2.gz NFZQLHCJWPINOA-SECBINFHSA-N 0 1 384.358 2.705 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1)C(=O)[O-] ZINC000827448678 604741742 /nfs/dbraw/zinc/74/17/42/604741742.db2.gz BDGYUIXTWVDTLY-QMMMGPOBSA-N 0 1 391.212 2.851 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000832272935 604746281 /nfs/dbraw/zinc/74/62/81/604746281.db2.gz METRSAKETCACMC-YOEHRIQHSA-N 0 1 390.480 2.552 20 0 GFADMN C[N@@H+]([C@@H](C(=O)[O-])c1cccc(Cl)c1)C1CCN(CCn2cccn2)CC1 ZINC000830661217 604755602 /nfs/dbraw/zinc/75/56/02/604755602.db2.gz UHIZFFMOEVTYAM-GOSISDBHSA-N 0 1 376.888 2.759 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000832915117 604768655 /nfs/dbraw/zinc/76/86/55/604768655.db2.gz IKWUQFOHOMKHOA-QUCCMNQESA-N 0 1 397.475 2.698 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000653374106 604785896 /nfs/dbraw/zinc/78/58/96/604785896.db2.gz VLKKOFKQEQOYNI-FHWLQOOXSA-N 0 1 381.476 2.611 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ccccc1OC(F)F ZINC000826295243 607718106 /nfs/dbraw/zinc/71/81/06/607718106.db2.gz YCUOJQBMYBBKGC-UHFFFAOYSA-N 0 1 384.346 2.535 20 0 GFADMN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1)C2=O ZINC000833588615 604864917 /nfs/dbraw/zinc/86/49/17/604864917.db2.gz IIBOKGDUGJMTDY-LRAJWGHMSA-N 0 1 393.528 2.904 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000833417719 604934737 /nfs/dbraw/zinc/93/47/37/604934737.db2.gz VTCASYBVHGELJC-SJLPKXTDSA-N 0 1 392.471 2.548 20 0 GFADMN COc1ccc(-c2noc(C[N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])n2)c(OC)c1 ZINC000263583382 604961751 /nfs/dbraw/zinc/96/17/51/604961751.db2.gz ZVFSYLZSEFKZTR-MAZHCROVSA-N 0 1 387.436 2.972 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000833549770 605020229 /nfs/dbraw/zinc/02/02/29/605020229.db2.gz SKWVFOFHIOGXLG-QAPCUYQASA-N 0 1 388.489 2.640 20 0 GFADMN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833506814 605044874 /nfs/dbraw/zinc/04/48/74/605044874.db2.gz MNSUKBHXEIPVHR-JKSUJKDBSA-N 0 1 377.485 2.725 20 0 GFADMN 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20 0 GFADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000821589321 606751129 /nfs/dbraw/zinc/75/11/29/606751129.db2.gz IZOUEDOSSPZAOL-UHFFFAOYSA-N 0 1 396.835 2.526 20 0 GFADMN C[NH+](C)C1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCC1 ZINC000821581054 606834300 /nfs/dbraw/zinc/83/43/00/606834300.db2.gz BITXRDIZVXPERJ-UHFFFAOYSA-N 0 1 382.493 2.696 20 0 GFADMN CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820086776 606901982 /nfs/dbraw/zinc/90/19/82/606901982.db2.gz FJGOLUSSBCPXKU-WOJBJXKFSA-N 0 1 399.470 2.731 20 0 GFADMN Cc1ccc(C)c([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)[C@@H](C)CO2)c1 ZINC000822231908 606904155 /nfs/dbraw/zinc/90/41/55/606904155.db2.gz MCRJOGZLXJSCEE-NDXORKPFSA-N 0 1 393.491 2.979 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000821122911 607041182 /nfs/dbraw/zinc/04/11/82/607041182.db2.gz BRNPDKUSDGKLQZ-UHFFFAOYSA-N 0 1 380.387 2.956 20 0 GFADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820958749 607106566 /nfs/dbraw/zinc/10/65/66/607106566.db2.gz YMOHLCYZDIEVDM-JKSUJKDBSA-N 0 1 397.483 2.942 20 0 GFADMN CN(CCOc1ccc(-c2nn[nH]n2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000821603790 607112885 /nfs/dbraw/zinc/11/28/85/607112885.db2.gz OYVOCUBJDGIZLA-UHFFFAOYSA-N 0 1 375.436 2.563 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000819877086 607177252 /nfs/dbraw/zinc/17/72/52/607177252.db2.gz OHJUSZQCLGZUQB-BEFAXECRSA-N 0 1 391.479 2.770 20 0 GFADMN CCCN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCCC1 ZINC000825313928 607827904 /nfs/dbraw/zinc/82/79/04/607827904.db2.gz UOPWQXFMVUTPSG-UHFFFAOYSA-N 0 1 391.541 2.933 20 0 GFADMN CCC[C@@H](C(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)N(C)C ZINC000825224733 607878448 /nfs/dbraw/zinc/87/84/48/607878448.db2.gz CHLTYXPHZOPMRO-HNNXBMFYSA-N 0 1 385.497 2.583 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826077852 608020453 /nfs/dbraw/zinc/02/04/53/608020453.db2.gz XQVZJHNKCDXWNR-STQMWFEESA-N 0 1 388.520 2.533 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826077852 608020454 /nfs/dbraw/zinc/02/04/54/608020454.db2.gz XQVZJHNKCDXWNR-STQMWFEESA-N 0 1 388.520 2.533 20 0 GFADMN O=C(NCc1cnc[nH]1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826440299 608071810 /nfs/dbraw/zinc/07/18/10/608071810.db2.gz HRQPKBICPFBTNP-UHFFFAOYSA-N 0 1 395.810 2.966 20 0 GFADMN O=C1[C@@H](NCc2cc(-c3nn[nH]n3)cs2)CCN1c1ccc(Cl)c(F)c1 ZINC000826476725 608114168 /nfs/dbraw/zinc/11/41/68/608114168.db2.gz NJMOBBLNRBYBQN-AWEZNQCLSA-N 0 1 392.847 2.616 20 0 GFADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)c(O)c1 ZINC000826454009 608122535 /nfs/dbraw/zinc/12/25/35/608122535.db2.gz GXVHOUZTNQPKSR-UHFFFAOYSA-N 0 1 378.161 2.726 20 0 GFADMN Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000826373229 608134859 /nfs/dbraw/zinc/13/48/59/608134859.db2.gz FGSQVXFEOHSWEJ-UHFFFAOYSA-N 0 1 385.428 2.840 20 0 GFADMN Fc1ccc(-c2noc(CCC[NH2+]Cc3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000826373229 608134860 /nfs/dbraw/zinc/13/48/60/608134860.db2.gz FGSQVXFEOHSWEJ-UHFFFAOYSA-N 0 1 385.428 2.840 20 0 GFADMN O=C(CN1CC[C@H](C2CC2)C1)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000826410170 608173223 /nfs/dbraw/zinc/17/32/23/608173223.db2.gz FFRGIDMLSCTFJK-ZDUSSCGKSA-N 0 1 386.525 2.868 20 0 GFADMN C[NH+](C)CCN(Cc1ccccc1F)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825865615 608190474 /nfs/dbraw/zinc/19/04/74/608190474.db2.gz IEJKZUQJQQIIBO-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN C[NH+](C)CCN(Cc1ccccc1F)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825865615 608190475 /nfs/dbraw/zinc/19/04/75/608190475.db2.gz IEJKZUQJQQIIBO-UHFFFAOYSA-N 0 1 381.868 2.684 20 0 GFADMN c1cc2c(s1)CCN(CCNc1ccc3cc(-c4nn[nH]n4)ccc3n1)C2 ZINC000826518357 608224487 /nfs/dbraw/zinc/22/44/87/608224487.db2.gz KNYINXWPKQGWMY-UHFFFAOYSA-N 0 1 377.477 2.947 20 0 GFADMN Cc1cccc2nc(CNC(=O)Nc3cc(-c4nn[nH]n4)cn3C(C)(C)C)[nH]c21 ZINC000826304375 608240639 /nfs/dbraw/zinc/24/06/39/608240639.db2.gz IWTQOEWBTQNHNN-UHFFFAOYSA-N 0 1 393.455 2.930 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824977877 608265247 /nfs/dbraw/zinc/26/52/47/608265247.db2.gz SPDSKVZBVBWPRS-JKSUJKDBSA-N 0 1 391.479 2.993 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444793 608307368 /nfs/dbraw/zinc/30/73/68/608307368.db2.gz QWXVKNIJPOYIQY-ZIAGYGMSSA-N 0 1 387.488 2.600 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@H](C[C@@H]4CCOC4)C3)o2)c1 ZINC000826512888 608326554 /nfs/dbraw/zinc/32/65/54/608326554.db2.gz SMYMRZSBLOWIHY-CABCVRRESA-N 0 1 395.467 2.555 20 0 GFADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825435257 608390334 /nfs/dbraw/zinc/39/03/34/608390334.db2.gz RLFSAEAULSQEEG-UHFFFAOYSA-N 0 1 382.443 2.730 20 0 GFADMN CCN(C[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1)CC(F)(F)F ZINC000825417117 608399070 /nfs/dbraw/zinc/39/90/70/608399070.db2.gz ONSLECAAUIETEF-LBPRGKRZSA-N 0 1 386.397 2.712 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1)CC(F)(F)F ZINC000825417117 608399071 /nfs/dbraw/zinc/39/90/71/608399071.db2.gz ONSLECAAUIETEF-LBPRGKRZSA-N 0 1 386.397 2.712 20 0 GFADMN C[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(OC(F)F)c1 ZINC000824561991 608444076 /nfs/dbraw/zinc/44/40/76/608444076.db2.gz AHXPDCPOWZRQSO-VIFPVBQESA-N 0 1 394.407 2.819 20 0 GFADMN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000824301245 608449441 /nfs/dbraw/zinc/44/94/41/608449441.db2.gz UWFMGRVZQLIMGR-UHFFFAOYSA-N 0 1 397.508 2.711 20 0 GFADMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142991 608456066 /nfs/dbraw/zinc/45/60/66/608456066.db2.gz UNOZMRXOULKKHJ-SUMWQHHRSA-N 0 1 380.452 2.943 20 0 GFADMN CC[C@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142987 608456350 /nfs/dbraw/zinc/45/63/50/608456350.db2.gz UNOZMRXOULKKHJ-DYVFJYSZSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562818 608490467 /nfs/dbraw/zinc/49/04/67/608490467.db2.gz JFXNESYQNPTUBQ-VIFPVBQESA-N 0 1 376.342 2.573 20 0 GFADMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826216621 608538210 /nfs/dbraw/zinc/53/82/10/608538210.db2.gz HLKYXSXPYKPUAQ-GFCCVEGCSA-N 0 1 384.415 2.694 20 0 GFADMN Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)c(C)o1 ZINC000826258949 608675547 /nfs/dbraw/zinc/67/55/47/608675547.db2.gz BUGFMSWBQGEXNC-UHFFFAOYSA-N 0 1 386.481 2.532 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC000824104178 608738203 /nfs/dbraw/zinc/73/82/03/608738203.db2.gz OQKSPVJXYRHTTO-CYBMUJFWSA-N 0 1 390.513 2.902 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC000824104178 608738204 /nfs/dbraw/zinc/73/82/04/608738204.db2.gz OQKSPVJXYRHTTO-CYBMUJFWSA-N 0 1 390.513 2.902 20 0 GFADMN COc1cc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)o3)CC2)cc(OC)c1 ZINC000826180395 608745872 /nfs/dbraw/zinc/74/58/72/608745872.db2.gz FUDNDJWMXZVMPD-UHFFFAOYSA-N 0 1 384.440 2.553 20 0 GFADMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000826188610 608863825 /nfs/dbraw/zinc/86/38/25/608863825.db2.gz BKDUTFQHJXJSTN-INIZCTEOSA-N 0 1 398.492 2.504 20 0 GFADMN C[C@@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824528810 609134741 /nfs/dbraw/zinc/13/47/41/609134741.db2.gz CMBNJJNWHCKUPI-ACJLOTCBSA-N 0 1 382.443 2.876 20 0 GFADMN C[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000824533106 609136236 /nfs/dbraw/zinc/13/62/36/609136236.db2.gz YZOJPTGBYHBPRR-VXGBXAGGSA-N 0 1 389.456 2.821 20 0 GFADMN O[C@]12CCCC[C@@H]1CN(Cc1ccc(-c3nn[nH]n3)cc1Br)CC2 ZINC000826506525 609365060 /nfs/dbraw/zinc/36/50/60/609365060.db2.gz WKPKVCURHKWOCE-PBHICJAKSA-N 0 1 392.301 2.756 20 0 GFADMN Cc1cccc(CCC[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000826297990 609365455 /nfs/dbraw/zinc/36/54/55/609365455.db2.gz YTGPQMJJRFJIHG-UHFFFAOYSA-N 0 1 393.495 2.795 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000824548408 609412801 /nfs/dbraw/zinc/41/28/01/609412801.db2.gz XDILGIQOCLBFRU-SGTLLEGYSA-N 0 1 398.417 2.991 20 0 GFADMN Cc1ccc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1F ZINC000826288448 609413655 /nfs/dbraw/zinc/41/36/55/609413655.db2.gz HPIMNGPZVUYQNJ-GOSISDBHSA-N 0 1 380.427 2.599 20 0 GFADMN O=C1[C@@H](NCc2coc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476828 609415462 /nfs/dbraw/zinc/41/54/62/609415462.db2.gz PZELARKSQWXGBP-SFHVURJKSA-N 0 1 388.431 2.898 20 0 GFADMN CCOc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1F ZINC000825643049 609525878 /nfs/dbraw/zinc/52/58/78/609525878.db2.gz GUHGHYBNTDFYTH-UHFFFAOYSA-N 0 1 397.819 2.859 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826332548 609609037 /nfs/dbraw/zinc/60/90/37/609609037.db2.gz XICPBEUSNNVFTC-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826332548 609609039 /nfs/dbraw/zinc/60/90/39/609609039.db2.gz XICPBEUSNNVFTC-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN O=C(Nc1cc2ccc(Br)cn2n1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000482166765 650661431 /nfs/dbraw/zinc/66/14/31/650661431.db2.gz FWVQNSKAGHYSGZ-LBPRGKRZSA-N 0 1 390.245 2.974 20 0 GFADMN CNc1nc(C)cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000493971226 650799669 /nfs/dbraw/zinc/79/96/69/650799669.db2.gz KOXAEZJFHCQJHR-UHFFFAOYSA-N 0 1 388.229 2.627 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000817645250 660204061 /nfs/dbraw/zinc/20/40/61/660204061.db2.gz VFPNXTFCPKPCEY-NXEZZACHSA-N 0 1 389.568 2.745 20 0 GFADMN CN(C[C@@H]1CCCN1C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000817496237 660198388 /nfs/dbraw/zinc/19/83/88/660198388.db2.gz SUALLVMUWWPFEZ-LBPRGKRZSA-N 0 1 379.254 2.722 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)CSCC[C@@H]2CC2(Cl)Cl)C1 ZINC000818156162 660218060 /nfs/dbraw/zinc/21/80/60/660218060.db2.gz FPBHGZCLJPQVQQ-KGLIPLIRSA-N 0 1 383.385 2.777 20 0 GFADMN 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WDUXMNMMUKZCKR-NSHDSACASA-N 0 1 379.210 2.572 20 0 GFADMN CCCOc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1 ZINC000445715773 563852534 /nfs/dbraw/zinc/85/25/34/563852534.db2.gz IQTNWNUHAAFXJK-ROUUACIJSA-N 0 1 384.567 2.676 20 0 GFADMN COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1Cl ZINC000445742816 563853804 /nfs/dbraw/zinc/85/38/04/563853804.db2.gz KXSPZGGKCIHSBK-GOEBONIOSA-N 0 1 390.958 2.549 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000416906891 563862968 /nfs/dbraw/zinc/86/29/68/563862968.db2.gz ARULHBDTSUNOPB-STQMWFEESA-N 0 1 384.318 2.930 20 0 GFADMN CCOCCOc1ccc(Br)cc1CN1CC[C@H](CC(N)=O)C1 ZINC000368131850 563864451 /nfs/dbraw/zinc/86/44/51/563864451.db2.gz CCGQHZCDSQZMNU-CYBMUJFWSA-N 0 1 385.302 2.562 20 0 GFADMN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](C)CN1CCO ZINC000416978702 563864585 /nfs/dbraw/zinc/86/45/85/563864585.db2.gz CYFUSGZJZHPWRR-MNOVXSKESA-N 0 1 377.819 2.860 20 0 GFADMN COc1cc(SC)ccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000446628161 563866817 /nfs/dbraw/zinc/86/68/17/563866817.db2.gz JZCHYEWJQMYNAT-UHFFFAOYSA-N 0 1 380.447 2.663 20 0 GFADMN Cn1cc(NC(=O)c2ccc(Nc3ccncc3)cc2)cc(Br)c1=O ZINC000446678691 563867765 /nfs/dbraw/zinc/86/77/65/563867765.db2.gz UWOUXEZOYCXQOT-UHFFFAOYSA-N 0 1 399.248 2.961 20 0 GFADMN C[C@@H](NC(=O)N1CCNC(C)(C)C1)c1cc2c(cc1Br)OCCO2 ZINC000417189713 563871829 /nfs/dbraw/zinc/87/18/29/563871829.db2.gz YVZROBYWBUALOT-LLVKDONJSA-N 0 1 398.301 2.675 20 0 GFADMN O[C@H]1CCC[C@@H]1N1CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000368515770 563872684 /nfs/dbraw/zinc/87/26/84/563872684.db2.gz WKHNAHHSEQLURZ-GJZGRUSLSA-N 0 1 380.286 2.621 20 0 GFADMN Cc1sc(Br)cc1S(=O)(=O)NCCN1CCC[C@H](C)C1 ZINC000447197968 563876832 /nfs/dbraw/zinc/87/68/32/563876832.db2.gz DFSFZILADGYBGF-JTQLQIEISA-N 0 1 381.361 2.829 20 0 GFADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000417478466 563881152 /nfs/dbraw/zinc/88/11/52/563881152.db2.gz IIUQZCSSJBFMLF-XHSDSOJGSA-N 0 1 393.329 2.564 20 0 GFADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368959595 563882670 /nfs/dbraw/zinc/88/26/70/563882670.db2.gz XDJAMHPGHNTCNM-CHWSQXEVSA-N 0 1 375.296 2.676 20 0 GFADMN COC(=O)c1cc(Br)cc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1C ZINC000417573761 563883807 /nfs/dbraw/zinc/88/38/07/563883807.db2.gz YCFCFEMWTZXCSS-QMMMGPOBSA-N 0 1 396.245 2.853 20 0 GFADMN CN(CCN1CCOC(C)(C)C1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000447658912 563884055 /nfs/dbraw/zinc/88/40/55/563884055.db2.gz LGGPUNSVRWOVHL-UHFFFAOYSA-N 0 1 382.917 2.974 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369037535 563884841 /nfs/dbraw/zinc/88/48/41/563884841.db2.gz YJFBVNKMABDDCC-JKSUJKDBSA-N 0 1 382.302 2.820 20 0 GFADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000447784361 563886373 /nfs/dbraw/zinc/88/63/73/563886373.db2.gz BJKVHJHKIQCQEH-UHFFFAOYSA-N 0 1 385.825 2.945 20 0 GFADMN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000369171844 563888709 /nfs/dbraw/zinc/88/87/09/563888709.db2.gz OLQNLWHFGRGAMA-FZQKWOKYSA-N 0 1 391.269 2.584 20 0 GFADMN CC[C@H](C)NC(=O)CCNCc1ccc(F)cc1I ZINC000417895678 563890961 /nfs/dbraw/zinc/89/09/61/563890961.db2.gz ZWSYUZZFMZRJNA-JTQLQIEISA-N 0 1 378.229 2.825 20 0 GFADMN C[C@@H](NC(=O)N1CCN[C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883053 563891021 /nfs/dbraw/zinc/89/10/21/563891021.db2.gz FCWQEZYNYMWBIW-GHMZBOCLSA-N 0 1 394.273 2.563 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447939555 563891288 /nfs/dbraw/zinc/89/12/88/563891288.db2.gz FZHFHSDUAQZGGU-HNNXBMFYSA-N 0 1 388.917 2.525 20 0 GFADMN C[C@H]1CN(C(=O)NCc2cc(Br)ccc2Br)CCN1 ZINC000418041524 563896275 /nfs/dbraw/zinc/89/62/75/563896275.db2.gz JWUBEKOPCJALPN-VIFPVBQESA-N 0 1 391.107 2.715 20 0 GFADMN O[C@@H](CCNCc1ccc(F)cc1I)C(F)(F)F ZINC000418067628 563897438 /nfs/dbraw/zinc/89/74/38/563897438.db2.gz NBSMRNITOHJZPR-JTQLQIEISA-N 0 1 377.119 2.833 20 0 GFADMN Cc1ccc(CC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000448627213 563899112 /nfs/dbraw/zinc/89/91/12/563899112.db2.gz HHDJUEICULNWQB-GJZGRUSLSA-N 0 1 383.330 2.916 20 0 GFADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CCN(C)CC1 ZINC000448989995 563904860 /nfs/dbraw/zinc/90/48/60/563904860.db2.gz GGYKRYWVAKCQQQ-UHFFFAOYSA-N 0 1 383.279 2.713 20 0 GFADMN Cc1cc(Br)c(CNC[C@](C)(O)CN2CCOCC2)cc1Cl ZINC000449156648 563907574 /nfs/dbraw/zinc/90/75/74/563907574.db2.gz SXODCIVMVMCCBQ-INIZCTEOSA-N 0 1 391.737 2.584 20 0 GFADMN COCC1(CC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000563181594 564179502 /nfs/dbraw/zinc/17/95/02/564179502.db2.gz DQQNASMJYSMMPA-UHFFFAOYSA-N 0 1 379.258 2.667 20 0 GFADMN COCC1(CC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000563181594 564179505 /nfs/dbraw/zinc/17/95/05/564179505.db2.gz DQQNASMJYSMMPA-UHFFFAOYSA-N 0 1 379.258 2.667 20 0 GFADMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c(Br)c1OC ZINC000563216904 564180418 /nfs/dbraw/zinc/18/04/18/564180418.db2.gz NMTCVVYHBJSSEE-UHFFFAOYSA-N 0 1 388.258 2.532 20 0 GFADMN O=C1CNC(=O)N1CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000563289405 564184759 /nfs/dbraw/zinc/18/47/59/564184759.db2.gz MYMMKYNNEBPJLS-HNNXBMFYSA-N 0 1 394.313 2.788 20 0 GFADMN CC(C)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000471117660 564185360 /nfs/dbraw/zinc/18/53/60/564185360.db2.gz WLBOARNKNVVRDJ-UHFFFAOYSA-N 0 1 376.459 2.872 20 0 GFADMN CCOc1c(Cl)cc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1Cl ZINC000471221345 564189655 /nfs/dbraw/zinc/18/96/55/564189655.db2.gz SXYMVAONHVGSSX-UHFFFAOYSA-N 0 1 386.279 2.637 20 0 GFADMN O=C1CCCN1[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000563435731 564191268 /nfs/dbraw/zinc/19/12/68/564191268.db2.gz BLTGTDLTWGRHDA-QWRGUYRKSA-N 0 1 392.855 2.830 20 0 GFADMN CN1CCN(Cc2ccc(NC(=O)c3cncs3)cc2Br)CC1 ZINC000505922225 564192717 /nfs/dbraw/zinc/19/27/17/564192717.db2.gz GABYZHUSCKVEDN-UHFFFAOYSA-N 0 1 395.326 2.905 20 0 GFADMN Cc1ccc(-c2n[nH]c(SCC3(CS(C)(=O)=O)CCOCC3)n2)cc1 ZINC000538529885 564193579 /nfs/dbraw/zinc/19/35/79/564193579.db2.gz QCXYFGGFCCFFPD-UHFFFAOYSA-N 0 1 381.523 2.714 20 0 GFADMN CCOC(=O)[C@H](NC(=O)c1cccc(Br)c1O)c1cccc(O)c1 ZINC000538764847 564200116 /nfs/dbraw/zinc/20/01/16/564200116.db2.gz FYSDYKQKSIMGTR-CQSZACIVSA-N 0 1 394.221 2.895 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@H](C)Oc2ccccc2)sc1Br ZINC000538939621 564205740 /nfs/dbraw/zinc/20/57/40/564205740.db2.gz CYKJORYRPVOEDM-SECBINFHSA-N 0 1 391.312 2.960 20 0 GFADMN CCc1nc([C@@H]2CN(C(=O)Cc3ccc(C)cc3Br)CCO2)n[nH]1 ZINC000449982233 564211711 /nfs/dbraw/zinc/21/17/11/564211711.db2.gz RMGPELCEHASCDK-AWEZNQCLSA-N 0 1 393.285 2.581 20 0 GFADMN Cc1cc(C)c(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Br ZINC000450059966 564215556 /nfs/dbraw/zinc/21/55/56/564215556.db2.gz VHNGVVWPRBGTCM-OAHLLOKOSA-N 0 1 381.314 2.860 20 0 GFADMN Cc1cc(Br)cc2c1CN(C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000539327628 564216729 /nfs/dbraw/zinc/21/67/29/564216729.db2.gz AWLDXRPBVDYDRU-RKVPGOIHSA-N 0 1 397.357 2.586 20 0 GFADMN Cc1cc(Br)cc2c1CN(C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000539327629 564216785 /nfs/dbraw/zinc/21/67/85/564216785.db2.gz AWLDXRPBVDYDRU-RVKKMQEKSA-N 0 1 397.357 2.586 20 0 GFADMN COc1ccc(C(=O)CCC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c(Cl)c1 ZINC000507082149 564217923 /nfs/dbraw/zinc/21/79/23/564217923.db2.gz CXBLIEGALYAPOA-RDJZCZTQSA-N 0 1 384.929 2.816 20 0 GFADMN CN(C)CCN(C1CCCC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000472319183 564221260 /nfs/dbraw/zinc/22/12/60/564221260.db2.gz UGCUPLOZFVNIEE-UHFFFAOYSA-N 0 1 391.940 2.962 20 0 GFADMN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccnc(N(C)C)n1 ZINC000539507579 564221782 /nfs/dbraw/zinc/22/17/82/564221782.db2.gz WVWLMZKRTZMKQP-GFCCVEGCSA-N 0 1 392.301 2.812 20 0 GFADMN C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000539623865 564224325 /nfs/dbraw/zinc/22/43/25/564224325.db2.gz UQSONMVCUFLCKU-SDDRHHMPSA-N 0 1 393.336 2.583 20 0 GFADMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1Br ZINC000450289408 564225724 /nfs/dbraw/zinc/22/57/24/564225724.db2.gz VBXDEMBKGRTMCI-KGLIPLIRSA-N 0 1 395.322 2.876 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2ccccc2-n2cc(Br)cn2)n[nH]1 ZINC000450297445 564225743 /nfs/dbraw/zinc/22/57/43/564225743.db2.gz JNLFLMAZESRGQC-SNVBAGLBSA-N 0 1 389.257 2.806 20 0 GFADMN Cc1ccc(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1Cl ZINC000564295474 564227411 /nfs/dbraw/zinc/22/74/11/564227411.db2.gz COFBOLJQMYESMJ-ZDUSSCGKSA-N 0 1 384.307 2.728 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2cc3cc(Br)cc(C)c3o2)C1 ZINC000507399877 564227790 /nfs/dbraw/zinc/22/77/90/564227790.db2.gz FWMJZVWOJZPBIE-AWEZNQCLSA-N 0 1 381.270 2.954 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)CCN(C)C1CC1 ZINC000472702556 564231853 /nfs/dbraw/zinc/23/18/53/564231853.db2.gz SJLCZJKWQBSZCG-UHFFFAOYSA-N 0 1 375.332 2.781 20 0 GFADMN CCc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)ccc1F ZINC000507621111 564235538 /nfs/dbraw/zinc/23/55/38/564235538.db2.gz MXPFWGXLQCBORC-UHFFFAOYSA-N 0 1 375.418 2.732 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(OC)c(Cl)c1 ZINC000472922373 564237062 /nfs/dbraw/zinc/23/70/62/564237062.db2.gz BQHBJMNFTOPGCT-OAHLLOKOSA-N 0 1 387.816 2.680 20 0 GFADMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C)c(O)c2)c1OC ZINC000507910481 564247908 /nfs/dbraw/zinc/24/79/08/564247908.db2.gz XDEPRMBAAGOWFT-UHFFFAOYSA-N 0 1 384.841 2.523 20 0 GFADMN CCOC(=O)c1cnccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000564790099 564249007 /nfs/dbraw/zinc/24/90/07/564249007.db2.gz QRCAFADORPHHII-UHFFFAOYSA-N 0 1 381.262 2.849 20 0 GFADMN Cn1cc([C@@H](NCC(=O)Nc2ccc(Br)cn2)C(C)(C)C)cn1 ZINC000540478676 564249448 /nfs/dbraw/zinc/24/94/48/564249448.db2.gz UKHMAIKZSDQTIZ-OAHLLOKOSA-N 0 1 380.290 2.893 20 0 GFADMN COC(=O)c1ncc(NS(=O)(=O)c2ccc3ncccc3c2)cc1Cl ZINC000508058291 564251742 /nfs/dbraw/zinc/25/17/42/564251742.db2.gz UQQUZJVEUKTLGU-UHFFFAOYSA-N 0 1 377.809 2.871 20 0 GFADMN CC(C)(C)NC(=O)N1CCC(NC(=O)c2cccc(Br)c2O)CC1 ZINC000540695142 564255223 /nfs/dbraw/zinc/25/52/23/564255223.db2.gz XIRGOHQFTIYWIX-UHFFFAOYSA-N 0 1 398.301 2.857 20 0 GFADMN Cc1cc(C)c(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1Br ZINC000450964627 564256953 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C[C@](CO)(NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451035983 564266357 /nfs/dbraw/zinc/26/63/57/564266357.db2.gz HGGCPRFEXLYFHN-MAUKXSAKSA-N 0 1 386.275 2.936 20 0 GFADMN COC(=O)[C@@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000508636523 564268493 /nfs/dbraw/zinc/26/84/93/564268493.db2.gz LIAMEABUYIGHPT-CYBMUJFWSA-N 0 1 378.270 2.938 20 0 GFADMN COC(=O)[C@H]1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000508636525 564268818 /nfs/dbraw/zinc/26/88/18/564268818.db2.gz LIAMEABUYIGHPT-ZDUSSCGKSA-N 0 1 378.270 2.938 20 0 GFADMN CCc1[nH]nc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1Br ZINC000565199377 564271041 /nfs/dbraw/zinc/27/10/41/564271041.db2.gz KYEYDFQVWAOXCY-CHWSQXEVSA-N 0 1 389.297 2.943 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(S(C)(=O)=O)c1 ZINC000451101003 564274720 /nfs/dbraw/zinc/27/47/20/564274720.db2.gz ZYHNYMQXVGJEMN-LBPRGKRZSA-N 0 1 381.475 2.523 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2S(C)(=O)=O)c(C)c1F ZINC000451107466 564275890 /nfs/dbraw/zinc/27/58/90/564275890.db2.gz 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O=C(COc1ccsc1Cl)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000560614487 564969793 /nfs/dbraw/zinc/96/97/93/564969793.db2.gz GCDLJSAJQXPBRT-GJZGRUSLSA-N 0 1 380.897 2.532 20 0 GFADMN Cc1n[nH]c([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3C)C2)n1 ZINC000560718105 564973185 /nfs/dbraw/zinc/97/31/85/564973185.db2.gz ISFBCJCTAIWSMC-LBPRGKRZSA-N 0 1 378.274 2.612 20 0 GFADMN Cc1nnc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3C)C2)[nH]1 ZINC000560718105 564973187 /nfs/dbraw/zinc/97/31/87/564973187.db2.gz ISFBCJCTAIWSMC-LBPRGKRZSA-N 0 1 378.274 2.612 20 0 GFADMN COC[C@](C)(CCO)NCc1ccc(I)cc1Cl ZINC000501467484 564980333 /nfs/dbraw/zinc/98/03/33/564980333.db2.gz OWMWYDZSQXJXSW-ZDUSSCGKSA-N 0 1 383.657 2.822 20 0 GFADMN CCN(CC(=O)N(C)[C@H](C(=O)OC)c1cccc(Br)c1)C1CC1 ZINC000501641094 564984332 /nfs/dbraw/zinc/98/43/32/564984332.db2.gz AJAGAWUJSWOQSY-INIZCTEOSA-N 0 1 383.286 2.606 20 0 GFADMN CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000468550257 564985822 /nfs/dbraw/zinc/98/58/22/564985822.db2.gz YAUWMTFXLVFRMG-ZDUSSCGKSA-N 0 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CCN(CC)CCS(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000657113809 566224724 /nfs/dbraw/zinc/22/47/24/566224724.db2.gz IVOGJUPWLLXDBP-UHFFFAOYSA-N 0 1 379.551 2.840 20 0 GFADMN C[C@@H](C(=O)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F)N(C)C ZINC000684527857 566237477 /nfs/dbraw/zinc/23/74/77/566237477.db2.gz CPWLPJTZWXSJSU-UFBFGSQYSA-N 0 1 383.208 2.568 20 0 GFADMN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736230471 598833000 /nfs/dbraw/zinc/83/30/00/598833000.db2.gz RKJADNHNGFLOKE-JOCHJYFZSA-N 0 1 390.491 2.537 20 0 GFADMN CCOc1cccc([C@H](C)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000736654583 598960867 /nfs/dbraw/zinc/96/08/67/598960867.db2.gz KOKZEVDEHWDLMR-LIRRHRJNSA-N 0 1 392.463 2.722 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)Cc1ccc(F)c(F)c1 ZINC000737033706 598981220 /nfs/dbraw/zinc/98/12/20/598981220.db2.gz YAJMCZMUZLGFMQ-UHFFFAOYSA-N 0 1 375.379 2.664 20 0 GFADMN C[C@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736288081 598989014 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O=C([O-])C[C@H]1CCC[N@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000819385613 597046213 /nfs/dbraw/zinc/04/62/13/597046213.db2.gz ZUEGONDADXEFDU-CQSZACIVSA-N 0 1 379.530 2.883 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)C1 ZINC000819385613 597046218 /nfs/dbraw/zinc/04/62/18/597046218.db2.gz ZUEGONDADXEFDU-CQSZACIVSA-N 0 1 379.530 2.883 20 0 GFADMN O=C([O-])CCCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000567807714 597287196 /nfs/dbraw/zinc/28/71/96/597287196.db2.gz VFJHJZZIMXVVLX-UHFFFAOYSA-N 0 1 387.402 2.834 20 0 GFADMN CC(C)C(NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000820028177 607299510 /nfs/dbraw/zinc/29/95/10/607299510.db2.gz VZBMCJHAEYXPDA-UHFFFAOYSA-N 0 1 399.543 2.765 20 0 GFADMN Cc1nc(COC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)n[nH]1 ZINC000822444790 607319704 /nfs/dbraw/zinc/31/97/04/607319704.db2.gz ZCDYMZFRYWGHQI-UHFFFAOYSA-N 0 1 393.432 2.801 20 0 GFADMN FC(F)Oc1cccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737638633 598251859 /nfs/dbraw/zinc/25/18/59/598251859.db2.gz HQRSZUDQMHIBPO-UHFFFAOYSA-N 0 1 386.406 2.790 20 0 GFADMN CCCCCOc1ccc(Br)cc1Cn1cnc(-c2nn[nH]n2)n1 ZINC000736452643 598277390 /nfs/dbraw/zinc/27/73/90/598277390.db2.gz ZNFVHTOJFJVYFE-UHFFFAOYSA-N 0 1 392.261 2.838 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000737186720 598288697 /nfs/dbraw/zinc/28/86/97/598288697.db2.gz LENCPWDEEZXYCQ-HNNXBMFYSA-N 0 1 396.476 2.887 20 0 GFADMN Cc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c(Cl)c1 ZINC000737357344 598504206 /nfs/dbraw/zinc/50/42/06/598504206.db2.gz PJRXUEKFDFISLO-UHFFFAOYSA-N 0 1 394.822 2.782 20 0 GFADMN Clc1ccc(NCCN2CCN(c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737574065 598793473 /nfs/dbraw/zinc/79/34/73/598793473.db2.gz KRLXCLFAEFANGG-UHFFFAOYSA-N 0 1 383.887 2.754 20 0 GFADMN C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735984844 598813078 /nfs/dbraw/zinc/81/30/78/598813078.db2.gz CWFXSYFWGBRQDR-ZDUSSCGKSA-N 0 1 398.442 2.868 20 0 GFADMN C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735984844 598813079 /nfs/dbraw/zinc/81/30/79/598813079.db2.gz CWFXSYFWGBRQDR-ZDUSSCGKSA-N 0 1 398.442 2.868 20 0 GFADMN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)CCCCC1 ZINC000819933578 599421489 /nfs/dbraw/zinc/42/14/89/599421489.db2.gz WUPFMBXDVMUSTK-UHFFFAOYSA-N 0 1 376.461 2.777 20 0 GFADMN CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000819933443 599451629 /nfs/dbraw/zinc/45/16/29/599451629.db2.gz RRGNTECWXDCTCX-HNNXBMFYSA-N 0 1 384.440 2.815 20 0 GFADMN COc1ccc([C@H]2CCCN2Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821787095 607388089 /nfs/dbraw/zinc/38/80/89/607388089.db2.gz OALAEZXFZPUIMU-GOSISDBHSA-N 0 1 375.436 2.860 20 0 GFADMN CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1C ZINC000737149629 599713096 /nfs/dbraw/zinc/71/30/96/599713096.db2.gz XGDIHNUZQQMVOY-ZNMIVQPWSA-N 0 1 376.453 2.709 20 0 GFADMN CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1C ZINC000737149618 599713138 /nfs/dbraw/zinc/71/31/38/599713138.db2.gz XGDIHNUZQQMVOY-ILXRZTDVSA-N 0 1 376.453 2.709 20 0 GFADMN Cc1ccccc1Nc1nc(N)nc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000738779195 599713340 /nfs/dbraw/zinc/71/33/40/599713340.db2.gz VZOHUOVOIJGMAO-KBMXLJTQSA-N 0 1 382.468 2.724 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000738460055 599716794 /nfs/dbraw/zinc/71/67/94/599716794.db2.gz KTRZSCNSDJIWFZ-UHFFFAOYSA-N 0 1 399.422 2.813 20 0 GFADMN COc1ccccc1[C@@H]1CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738130744 599773934 /nfs/dbraw/zinc/77/39/34/599773934.db2.gz UOBZOXFIBDRKRB-BRYHAGSVSA-N 0 1 376.478 2.724 20 0 GFADMN C[C@@]1(c2ccccc2F)NC(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736741772 599776669 /nfs/dbraw/zinc/77/66/69/599776669.db2.gz OPMDFHVCUOMRRP-NRFANRHFSA-N 0 1 399.422 2.527 20 0 GFADMN C[C@@]1(c2ccccc2F)NC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736741772 599776672 /nfs/dbraw/zinc/77/66/72/599776672.db2.gz OPMDFHVCUOMRRP-NRFANRHFSA-N 0 1 399.422 2.527 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000740025369 599895172 /nfs/dbraw/zinc/89/51/72/599895172.db2.gz SGGFFNDDHWCQLJ-LJQANCHMSA-N 0 1 383.448 2.856 20 0 GFADMN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000740025369 599895174 /nfs/dbraw/zinc/89/51/74/599895174.db2.gz SGGFFNDDHWCQLJ-LJQANCHMSA-N 0 1 383.448 2.856 20 0 GFADMN C[C@@H](C[N@H+](CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577348 599933238 /nfs/dbraw/zinc/93/32/38/599933238.db2.gz ARAALGVSDMSXMH-JUTLFCHVSA-N 0 1 399.491 2.777 20 0 GFADMN C[C@@H](C[N@@H+](CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736577348 599933241 /nfs/dbraw/zinc/93/32/41/599933241.db2.gz ARAALGVSDMSXMH-JUTLFCHVSA-N 0 1 399.491 2.777 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000738275620 599935466 /nfs/dbraw/zinc/93/54/66/599935466.db2.gz SDSOXZBWIHTBNP-WBVHZDCISA-N 0 1 388.489 2.807 20 0 GFADMN O=C([O-])CC[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000739659159 599952051 /nfs/dbraw/zinc/95/20/51/599952051.db2.gz IWJVYEGDESOWNT-OAQYLSRUSA-N 0 1 395.503 2.527 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000737285880 599966916 /nfs/dbraw/zinc/96/69/16/599966916.db2.gz VYEVYFDIQNEAHV-UHFFFAOYSA-N 0 1 376.888 2.652 20 0 GFADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000737448587 599967589 /nfs/dbraw/zinc/96/75/89/599967589.db2.gz DTQWCZBVVANUJU-SFHVURJKSA-N 0 1 390.505 2.830 20 0 GFADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)n1 ZINC000738367882 599969478 /nfs/dbraw/zinc/96/94/78/599969478.db2.gz CAIORBSOJGTQQV-LJQANCHMSA-N 0 1 399.495 2.761 20 0 GFADMN O=C([O-])C1CCC(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000263465126 600027785 /nfs/dbraw/zinc/02/77/85/600027785.db2.gz JUTJSKFKBHZCML-UHFFFAOYSA-N 0 1 387.524 2.980 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])Cc2ccccc21 ZINC000736810277 600047432 /nfs/dbraw/zinc/04/74/32/600047432.db2.gz TWSCSCMPXPEPGJ-YCRPNKLZSA-N 0 1 391.471 2.899 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])Cc2ccccc21 ZINC000736810277 600047436 /nfs/dbraw/zinc/04/74/36/600047436.db2.gz TWSCSCMPXPEPGJ-YCRPNKLZSA-N 0 1 391.471 2.899 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736876955 600089347 /nfs/dbraw/zinc/08/93/47/600089347.db2.gz IYRZJPADWHZYAP-BLLLJJGKSA-N 0 1 385.302 2.539 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000738518380 600094985 /nfs/dbraw/zinc/09/49/85/600094985.db2.gz KGXZOMMAYWCMJU-JKSUJKDBSA-N 0 1 382.464 2.849 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)(C(=O)[O-])c1ccccc1 ZINC000736919087 600129104 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GFADMN Cc1cc(Br)oc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000370911112 563259974 /nfs/dbraw/zinc/25/99/74/563259974.db2.gz LBTWEMCTLKUXRR-IUODEOHRSA-N 0 1 395.301 2.897 20 0 GFADMN O=S1(=O)CC[C@@H](CSc2nc(-c3ccccc3Br)n[nH]2)C1 ZINC000278567607 563261887 /nfs/dbraw/zinc/26/18/87/563261887.db2.gz CBNQDZKTVGJYBE-VIFPVBQESA-N 0 1 388.312 2.761 20 0 GFADMN Cn1ncc(Br)c1CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278615092 563263309 /nfs/dbraw/zinc/26/33/09/563263309.db2.gz DGCIPFWJPWALQE-GOEBONIOSA-N 0 1 385.256 2.996 20 0 GFADMN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(F)F ZINC000420451627 563263589 /nfs/dbraw/zinc/26/35/89/563263589.db2.gz BSOAIGSTHRTRNU-GFCCVEGCSA-N 0 1 382.860 2.780 20 0 GFADMN C[C@H](CN(C)C(=O)c1cc(Cl)c(Br)cc1F)c1nn[n-]n1 ZINC000295875351 563266469 /nfs/dbraw/zinc/26/64/69/563266469.db2.gz CWZBSCCMQZCDBX-ZCFIWIBFSA-N 0 1 376.617 2.630 20 0 GFADMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371309136 563271445 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564368066 /nfs/dbraw/zinc/36/80/66/564368066.db2.gz IZHKUULDUPWQJX-NSHDSACASA-N 0 1 382.283 2.890 20 0 GFADMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCc2ccc(F)c(F)c21 ZINC000451951880 564371902 /nfs/dbraw/zinc/37/19/02/564371902.db2.gz FDDXDHWGPITWLT-JTQLQIEISA-N 0 1 387.326 2.541 20 0 GFADMN CCc1cc(Br)ccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000477427705 564376879 /nfs/dbraw/zinc/37/68/79/564376879.db2.gz VCJZCHJZNBEKPG-UHFFFAOYSA-N 0 1 387.255 2.927 20 0 GFADMN Cc1ncc(CNCc2cc(Br)c3c(c2)OCCCO3)c(=O)[nH]1 ZINC000544181234 564378146 /nfs/dbraw/zinc/37/81/46/564378146.db2.gz HYLGXZUITRHGRU-UHFFFAOYSA-N 0 1 380.242 2.704 20 0 GFADMN O=S1(=O)CCCC[C@@H]1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000544179498 564378313 /nfs/dbraw/zinc/37/83/13/564378313.db2.gz GNTGMQXQRCNIJO-MRXNPFEDSA-N 0 1 398.326 2.692 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCCN1C ZINC000477643273 564382798 /nfs/dbraw/zinc/38/27/98/564382798.db2.gz KMMABDBGQXKSLW-NOZJJQNGSA-N 0 1 377.794 2.896 20 0 GFADMN 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C[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)CN(C)C ZINC000513472233 564430087 /nfs/dbraw/zinc/43/00/87/564430087.db2.gz ATMLAWDQAQGXQV-AWEZNQCLSA-N 0 1 388.961 2.986 20 0 GFADMN Cc1nc([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3Br)C2)n[nH]1 ZINC000568725288 564431212 /nfs/dbraw/zinc/43/12/12/564431212.db2.gz YKYVMCPYAMOENV-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN Cc1nnc([C@H]2CCN([C@@H](C)C(=O)Nc3ccccc3Br)C2)[nH]1 ZINC000568725288 564431216 /nfs/dbraw/zinc/43/12/16/564431216.db2.gz YKYVMCPYAMOENV-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN C[C@H](c1ccccc1Br)N(C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513897078 564441734 /nfs/dbraw/zinc/44/17/34/564441734.db2.gz KCWCHPMQIDMNGH-OLZOCXBDSA-N 0 1 375.332 2.723 20 0 GFADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000546203626 564449484 /nfs/dbraw/zinc/44/94/84/564449484.db2.gz IBBXALWIQMPFHV-GHMZBOCLSA-N 0 1 388.249 2.552 20 0 GFADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(I)c([O-])c2)C[C@H]1C ZINC000546203626 564449486 /nfs/dbraw/zinc/44/94/86/564449486.db2.gz IBBXALWIQMPFHV-GHMZBOCLSA-N 0 1 388.249 2.552 20 0 GFADMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)CN1CCN(CC)CC1 ZINC000479746713 564449586 /nfs/dbraw/zinc/44/95/86/564449586.db2.gz BJRDUWPQTOJDKN-QGZVFWFLSA-N 0 1 396.373 2.866 20 0 GFADMN Cn1cc(-c2ncc(CNc3nc4ccc(Br)cc4[nH]3)cn2)cn1 ZINC000479773604 564450547 /nfs/dbraw/zinc/45/05/47/564450547.db2.gz DHNDYORTVKFUEZ-UHFFFAOYSA-N 0 1 384.241 2.550 20 0 GFADMN Cc1cc(CN[C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)ccn1 ZINC000453279025 564451617 /nfs/dbraw/zinc/45/16/17/564451617.db2.gz DOANXXFXTMQLBS-LLVKDONJSA-N 0 1 384.299 2.651 20 0 GFADMN NC(=O)[C@@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 ZINC000479885514 564452643 /nfs/dbraw/zinc/45/26/43/564452643.db2.gz ORFPMUQZEXWOOB-PBHICJAKSA-N 0 1 391.265 2.795 20 0 GFADMN Cc1cc(Br)c(CNCCNS(=O)(=O)c2ccccc2)s1 ZINC000453585411 564459330 /nfs/dbraw/zinc/45/93/30/564459330.db2.gz IANZHXAYSNXKBB-UHFFFAOYSA-N 0 1 389.340 2.887 20 0 GFADMN CCS(=O)(=O)NCCCN1CC=C(c2cccc(Br)c2)CC1 ZINC000546585385 564460159 /nfs/dbraw/zinc/46/01/59/564460159.db2.gz LJBPQPYHMRJWIX-UHFFFAOYSA-N 0 1 387.343 2.868 20 0 GFADMN O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c([O-])cnc2c(Br)cccc21 ZINC000514894255 564461049 /nfs/dbraw/zinc/46/10/49/564461049.db2.gz MHRUDYPASXIITC-JTQLQIEISA-N 0 1 376.254 2.669 20 0 GFADMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c([O-])cnc2c(Br)cccc21 ZINC000514894255 564461056 /nfs/dbraw/zinc/46/10/56/564461056.db2.gz MHRUDYPASXIITC-JTQLQIEISA-N 0 1 376.254 2.669 20 0 GFADMN CC(C)[C@@H](O)CCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172343 564462297 /nfs/dbraw/zinc/46/22/97/564462297.db2.gz SRQWNDSFOVEYRX-KGLIPLIRSA-N 0 1 376.316 2.664 20 0 GFADMN C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCCN1C ZINC000453702586 564467276 /nfs/dbraw/zinc/46/72/76/564467276.db2.gz QCRLLNRXNSIRKY-TVQRCGJNSA-N 0 1 388.693 2.640 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CN1C1CC1 ZINC000569526946 564467590 /nfs/dbraw/zinc/46/75/90/564467590.db2.gz KXQAVMDXSFGAMM-XHDPSFHLSA-N 0 1 384.307 2.693 20 0 GFADMN CCCCNC(=O)CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000480426200 564472894 /nfs/dbraw/zinc/47/28/94/564472894.db2.gz MHSACNUXKDGJJZ-UHFFFAOYSA-N 0 1 382.346 2.873 20 0 GFADMN Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000480639900 564480061 /nfs/dbraw/zinc/48/00/61/564480061.db2.gz AOFIWSJHHHWPEV-GFCCVEGCSA-N 0 1 388.737 2.777 20 0 GFADMN CN(CCCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000515486551 564480131 /nfs/dbraw/zinc/48/01/31/564480131.db2.gz AXYIQKVEFAKMCR-UHFFFAOYSA-N 0 1 376.906 2.541 20 0 GFADMN Cc1ncc2c(n1)CC[C@H](NCc1cn(-c3ccccc3Br)nn1)C2 ZINC000515479191 564480170 /nfs/dbraw/zinc/48/01/70/564480170.db2.gz AHZOHZXVUVHDMJ-AWEZNQCLSA-N 0 1 399.296 2.775 20 0 GFADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cc1 ZINC000547241094 564480587 /nfs/dbraw/zinc/48/05/87/564480587.db2.gz CQQNWIOJNLTKMB-DEOSSOPVSA-N 0 1 381.475 2.543 20 0 GFADMN O=c1[nH]nc2n1CCN(Cc1csc(COc3ccc(Cl)cc3)n1)C2 ZINC000547469049 564490120 /nfs/dbraw/zinc/49/01/20/564490120.db2.gz RHGYEULZJFJNTR-UHFFFAOYSA-N 0 1 377.857 2.688 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@](C)(O)C2CCCCC2)sc1Br ZINC000480854594 564491840 /nfs/dbraw/zinc/49/18/40/564491840.db2.gz UILNOUBBDQGRNR-CYBMUJFWSA-N 0 1 397.360 2.824 20 0 GFADMN Clc1cccc(-n2cc(CNCC3(N4CCOCC4)CC3)nn2)c1Cl ZINC000570150051 564493144 /nfs/dbraw/zinc/49/31/44/564493144.db2.gz FBKPQKJXUPXEBX-UHFFFAOYSA-N 0 1 382.295 2.529 20 0 GFADMN C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000516269763 564498950 /nfs/dbraw/zinc/49/89/50/564498950.db2.gz RGCAYXVYBYNSIN-SNVBAGLBSA-N 0 1 381.723 2.723 20 0 GFADMN Cc1cc(F)c(Br)cc1NC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000570390844 564503920 /nfs/dbraw/zinc/50/39/20/564503920.db2.gz QJJPYTHFPIKQHF-UPJWGTAASA-N 0 1 375.282 2.779 20 0 GFADMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCSC1 ZINC000481340811 564509847 /nfs/dbraw/zinc/50/98/47/564509847.db2.gz OKCJIFJLNPLKCS-CYBMUJFWSA-N 0 1 386.436 2.560 20 0 GFADMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000570576913 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CS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000517559806 564536769 /nfs/dbraw/zinc/53/67/69/564536769.db2.gz QURKJNVEORFTFJ-AWEZNQCLSA-N 0 1 378.881 2.639 20 0 GFADMN Cc1nnc(SCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000482558812 564545847 /nfs/dbraw/zinc/54/58/47/564545847.db2.gz TXZDCQGECXXECD-SNVBAGLBSA-N 0 1 386.308 2.907 20 0 GFADMN Cc1n[nH]c(SCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000482558812 564545851 /nfs/dbraw/zinc/54/58/51/564545851.db2.gz TXZDCQGECXXECD-SNVBAGLBSA-N 0 1 386.308 2.907 20 0 GFADMN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000548304732 564547984 /nfs/dbraw/zinc/54/79/84/564547984.db2.gz YYQNPPAZOKOPOI-VHSXEESVSA-N 0 1 387.914 2.877 20 0 GFADMN CCc1nc(C[S@@](=O)Cc2cc(OC)c(OC)cc2Br)n[nH]1 ZINC000518304044 564550388 /nfs/dbraw/zinc/55/03/88/564550388.db2.gz ITGPTHYUOMOUFT-QFIPXVFZSA-N 0 1 388.287 2.596 20 0 GFADMN Cn1ccnc1CN1CCC[C@@H](NCc2cc(F)cc(Br)c2)C1=O ZINC000518307895 564550490 /nfs/dbraw/zinc/55/04/90/564550490.db2.gz JJNHCXGSOXLLTB-OAHLLOKOSA-N 0 1 395.276 2.603 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000518441880 564554133 /nfs/dbraw/zinc/55/41/33/564554133.db2.gz PYAFJSUUODWUEI-LBPRGKRZSA-N 0 1 379.295 2.693 20 0 GFADMN C[C@@]1(C[C@H]2CCCN2Cc2csc(-c3ccsc3)n2)NC(=O)NC1=O ZINC000571567474 564557449 /nfs/dbraw/zinc/55/74/49/564557449.db2.gz MSDDOGCUPGTWKI-DYVFJYSZSA-N 0 1 376.507 2.824 20 0 GFADMN CS[C@H]1CN(C(=O)C(=O)c2ccc(Br)cc2)C[C@@H]1N1CCCC1 ZINC000483394702 564566503 /nfs/dbraw/zinc/56/65/03/564566503.db2.gz LLZQUJJHXKUBPZ-GJZGRUSLSA-N 0 1 397.338 2.670 20 0 GFADMN CC(C)(O)CN1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000519284337 564574395 /nfs/dbraw/zinc/57/43/95/564574395.db2.gz UGVFYZOIJWJXLV-UHFFFAOYSA-N 0 1 375.296 2.677 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)N(C)C)CC1 ZINC000572012381 564577036 /nfs/dbraw/zinc/57/70/36/564577036.db2.gz XRBYVOJEFDAWCF-HNNXBMFYSA-N 0 1 382.346 2.996 20 0 GFADMN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000572038503 564578798 /nfs/dbraw/zinc/57/87/98/564578798.db2.gz KGLYDTSYMNPNQT-LURJTMIESA-N 0 1 376.103 2.772 20 0 GFADMN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000519604274 564583171 /nfs/dbraw/zinc/58/31/71/564583171.db2.gz FKMJTAUBURFATA-CABZTGNLSA-N 0 1 376.400 2.841 20 0 GFADMN Cc1cc(C(C)(C)NCC(=O)NCC(=O)NC(C)(C)C)ccc1Br ZINC000519616255 564584059 /nfs/dbraw/zinc/58/40/59/564584059.db2.gz UKPOUKMYJKKTLC-UHFFFAOYSA-N 0 1 398.345 2.613 20 0 GFADMN FC(F)(F)c1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ncc1Br ZINC000572397942 564593507 /nfs/dbraw/zinc/59/35/07/564593507.db2.gz RTJOKXFAIINEAU-AOOOYVTPSA-N 0 1 380.208 3.138 20 0 GFADMN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000519973790 564595734 /nfs/dbraw/zinc/59/57/34/564595734.db2.gz GCCNDIFYPUNKMW-GHMZBOCLSA-N 0 1 395.257 2.757 20 0 GFADMN C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)c[nH]2)[C@@H](C)CN1CCO ZINC000572466849 564595882 /nfs/dbraw/zinc/59/58/82/564595882.db2.gz NFXSKVNNEOQGJV-KGLIPLIRSA-N 0 1 393.329 2.726 20 0 GFADMN Cc1cc(Br)cc(CN2CCn3c(=O)[nH]nc3C2)c1OC(F)F ZINC000484738179 564596188 /nfs/dbraw/zinc/59/61/88/564596188.db2.gz DTCSYIZFQSBNFI-UHFFFAOYSA-N 0 1 389.200 2.672 20 0 GFADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(I)c(F)c1 ZINC000484736954 564596522 /nfs/dbraw/zinc/59/65/22/564596522.db2.gz MOCQOFAUAXSEHH-GFCCVEGCSA-N 0 1 385.180 2.961 20 0 GFADMN COC[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(Cl)c1 ZINC000572558697 564599624 /nfs/dbraw/zinc/59/96/24/564599624.db2.gz KPGOAPASXPLCQU-OAHLLOKOSA-N 0 1 379.869 2.639 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)C1=CCOCC1 ZINC000456363781 564602418 /nfs/dbraw/zinc/60/24/18/564602418.db2.gz FYERKXICDCFXKU-ZDUSSCGKSA-N 0 1 394.313 2.875 20 0 GFADMN O=C(NCCO)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485396348 564613608 /nfs/dbraw/zinc/61/36/08/564613608.db2.gz LBFVHSGJEAKWOT-UHFFFAOYSA-N 0 1 389.260 2.516 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000572889321 564614340 /nfs/dbraw/zinc/61/43/40/564614340.db2.gz JMHRDCSKPGPUKC-YVVXQTMVSA-N 0 1 398.297 2.907 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000572889318 564614522 /nfs/dbraw/zinc/61/45/22/564614522.db2.gz JMHRDCSKPGPUKC-CSFVBSKPSA-N 0 1 398.297 2.907 20 0 GFADMN C[C@@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)C[C@H](C)N1C ZINC000550355412 564621676 /nfs/dbraw/zinc/62/16/76/564621676.db2.gz AWXDEGMIBQCFHF-BETUJISGSA-N 0 1 379.302 2.947 20 0 GFADMN C[C@H](c1nnc(SCCc2c[nH]nn2)n1-c1ccc(Cl)cc1)N(C)C ZINC000573138712 564624713 /nfs/dbraw/zinc/62/47/13/564624713.db2.gz RDLYEYCBOPXKFW-LLVKDONJSA-N 0 1 377.905 2.996 20 0 GFADMN COC(=O)c1ccc(CCNS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000550441018 564625037 /nfs/dbraw/zinc/62/50/37/564625037.db2.gz PICJVQJDDNLEND-UHFFFAOYSA-N 0 1 389.807 2.926 20 0 GFADMN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(Br)cn1 ZINC000573196468 564627206 /nfs/dbraw/zinc/62/72/06/564627206.db2.gz UPNPBBVRZCMCPG-AWEZNQCLSA-N 0 1 385.283 2.844 20 0 GFADMN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000521443875 564627730 /nfs/dbraw/zinc/62/77/30/564627730.db2.gz GDJQNHXBZPQHDR-ZWNOBZJWSA-N 0 1 383.290 2.922 20 0 GFADMN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000456720708 564629194 /nfs/dbraw/zinc/62/91/94/564629194.db2.gz NUJBNGWZVPFELT-CYBMUJFWSA-N 0 1 394.313 2.726 20 0 GFADMN O=C(NCCNC(=O)c1cccc(Br)c1O)c1ccc(Cl)cc1 ZINC000521609414 564631604 /nfs/dbraw/zinc/63/16/04/564631604.db2.gz SWOKCVWVEOVQSO-UHFFFAOYSA-N 0 1 397.656 2.968 20 0 GFADMN Cn1ncc(Br)c1CNc1nc2ccc(Br)cc2[nH]1 ZINC000485955831 564632676 /nfs/dbraw/zinc/63/26/76/564632676.db2.gz LHVQPNDYMHIJPE-UHFFFAOYSA-N 0 1 385.063 2.855 20 0 GFADMN COCCN1CC[C@@H](NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676952 564634488 /nfs/dbraw/zinc/63/44/88/564634488.db2.gz JROXXJQSXVJHJS-PBHICJAKSA-N 0 1 399.329 2.689 20 0 GFADMN Cn1ncc2c1CCC[C@H]2NCCS(=O)(=O)c1cccc(Br)c1 ZINC000573358492 564634796 /nfs/dbraw/zinc/63/47/96/564634796.db2.gz PSIAMHSEQKZJDD-OAHLLOKOSA-N 0 1 398.326 2.624 20 0 GFADMN COC(=O)c1cc(CNC[C@H](O)COc2ccc(Br)cc2)oc1C ZINC000573476507 564640650 /nfs/dbraw/zinc/64/06/50/564640650.db2.gz LUYKOTJUNZLBDF-ZDUSSCGKSA-N 0 1 398.253 2.667 20 0 GFADMN C[C@H](C(=O)NCc1nc2cccc(Br)c2[nH]1)N(C)CC(F)(F)F ZINC000457029198 564643052 /nfs/dbraw/zinc/64/30/52/564643052.db2.gz GWOPWHRMFOMDNZ-MRVPVSSYSA-N 0 1 393.207 2.824 20 0 GFADMN CC(=O)N[C@@H](C(=O)NCc1nc2cccc(Br)c2[nH]1)C1CCCC1 ZINC000457032494 564644063 /nfs/dbraw/zinc/64/40/63/564644063.db2.gz JKZGTKXKVRTSTO-OAHLLOKOSA-N 0 1 393.285 2.637 20 0 GFADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457030227 564644348 /nfs/dbraw/zinc/64/43/48/564644348.db2.gz HFIJQYZTNUPKFU-JTQLQIEISA-N 0 1 395.301 2.883 20 0 GFADMN CC[N@@H+]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486232543 564644469 /nfs/dbraw/zinc/64/44/69/564644469.db2.gz MVPCGYSVWBLJRV-UHFFFAOYSA-N 0 1 378.270 2.871 20 0 GFADMN CC[N@H+]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486232543 564644473 /nfs/dbraw/zinc/64/44/73/564644473.db2.gz MVPCGYSVWBLJRV-UHFFFAOYSA-N 0 1 378.270 2.871 20 0 GFADMN CC(C)[C@H](C(=O)NCc1nc2cccc(Br)c2[nH]1)N1CCCC1=O ZINC000457064041 564644940 /nfs/dbraw/zinc/64/49/40/564644940.db2.gz QKTRHBWDSZVWTE-MRXNPFEDSA-N 0 1 393.285 2.589 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000573705234 564650666 /nfs/dbraw/zinc/65/06/66/564650666.db2.gz HVJPMDUWDBUYEF-IUODEOHRSA-N 0 1 381.929 2.546 20 0 GFADMN CC(C)[C@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)CCN1C ZINC000486521254 564654935 /nfs/dbraw/zinc/65/49/35/564654935.db2.gz SHFOKMRLXUZHCA-CQSZACIVSA-N 0 1 375.300 2.749 20 0 GFADMN CN(CC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)[C@H]1CCSC1 ZINC000457320926 564655747 /nfs/dbraw/zinc/65/57/47/564655747.db2.gz AZLAKURZMBFYGH-DZGCQCFKSA-N 0 1 384.343 2.945 20 0 GFADMN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2O)cc1C ZINC000522976339 564660459 /nfs/dbraw/zinc/66/04/59/564660459.db2.gz MUQFQCKKSZEQED-UHFFFAOYSA-N 0 1 382.869 2.922 20 0 GFADMN O=S1(=O)NC(CSc2nnc(C3CC3)n2C2CC2)=Nc2ccccc21 ZINC000522996086 564661385 /nfs/dbraw/zinc/66/13/85/564661385.db2.gz MWZZVIGNJVNNOK-UHFFFAOYSA-N 0 1 375.479 2.605 20 0 GFADMN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CCOC)c1ccc(Cl)c(Cl)c1 ZINC000551723847 564661724 /nfs/dbraw/zinc/66/17/24/564661724.db2.gz SNQVOECEKMLTPX-YGRLFVJLSA-N 0 1 376.284 2.895 20 0 GFADMN Cc1cc(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(C)cc1Br ZINC000486696684 564663341 /nfs/dbraw/zinc/66/33/41/564663341.db2.gz MVPVEYBJVINMBE-ZFWWWQNUSA-N 0 1 387.343 2.781 20 0 GFADMN COC(=O)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)c(Br)c1 ZINC000551787478 564663562 /nfs/dbraw/zinc/66/35/62/564663562.db2.gz ROEXSVNMMAGNEN-GFCCVEGCSA-N 0 1 395.219 2.962 20 0 GFADMN Cc1cc(Cl)ccc1S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000523377701 564665955 /nfs/dbraw/zinc/66/59/55/564665955.db2.gz KMAOZHUZYSPLJF-UHFFFAOYSA-N 0 1 390.933 2.542 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](C)c2c(F)cncc2F)sc1Br ZINC000551993538 564671873 /nfs/dbraw/zinc/67/18/73/564671873.db2.gz WZVALNBTTYRXMT-YFKPBYRVSA-N 0 1 398.254 2.927 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000574526271 564677102 /nfs/dbraw/zinc/67/71/02/564677102.db2.gz XTPVWBLQHMUHBX-CHWSQXEVSA-N 0 1 386.277 2.775 20 0 GFADMN CCCN(C)[C@H](CNS(=O)(=O)c1cn(C)nc1C)c1ccc(Cl)cc1 ZINC000574543297 564678564 /nfs/dbraw/zinc/67/85/64/564678564.db2.gz SZQFGNFMGKJKQI-MRXNPFEDSA-N 0 1 384.933 2.743 20 0 GFADMN O=S(=O)(CCN[C@H](c1cccs1)c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000574552982 564679266 /nfs/dbraw/zinc/67/92/66/564679266.db2.gz UUUGCTYTWMDPNK-CQSZACIVSA-N 0 1 382.898 2.673 20 0 GFADMN CCOC(=O)c1cc(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)n[nH]1 ZINC000552151355 564680380 /nfs/dbraw/zinc/68/03/80/564680380.db2.gz OKOAKYXYBPEDGO-UHFFFAOYSA-N 0 1 396.216 3.158 20 0 GFADMN Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000524522869 564682933 /nfs/dbraw/zinc/68/29/33/564682933.db2.gz PLQBSOSQXORQCM-AWEZNQCLSA-N 0 1 375.523 2.946 20 0 GFADMN O=C(CS(=O)(=O)C1CC1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000574653285 564683257 /nfs/dbraw/zinc/68/32/57/564683257.db2.gz KDSOLAQMXNZPQL-HNNXBMFYSA-N 0 1 381.885 2.847 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)NCCOc2ccc(Br)cc2)n[nH]1 ZINC000458070784 564687075 /nfs/dbraw/zinc/68/70/75/564687075.db2.gz CGTDHGNCCLXOGL-UHFFFAOYSA-N 0 1 396.289 2.743 20 0 GFADMN CCN1CCN(CC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000552397008 564689512 /nfs/dbraw/zinc/68/95/12/564689512.db2.gz NBBUVCKZIRXLKN-KRWDZBQOSA-N 0 1 388.339 2.825 20 0 GFADMN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)c1c(Cl)cccc1Cl ZINC000552471655 564692246 /nfs/dbraw/zinc/69/22/46/564692246.db2.gz SABWZVDIXXDZOZ-VXGBXAGGSA-N 0 1 384.307 2.566 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)cc1 ZINC000525174380 564693942 /nfs/dbraw/zinc/69/39/42/564693942.db2.gz WSQAYVBPEIRCON-UHFFFAOYSA-N 0 1 385.239 2.914 20 0 GFADMN CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C(O)Nc1nc(C)ns1 ZINC000525261646 564697661 /nfs/dbraw/zinc/69/76/61/564697661.db2.gz ACKXLAPHXOZPJN-QMMMGPOBSA-N 0 1 395.535 2.856 20 0 GFADMN CCOC(=O)CC[C@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458601309 564707371 /nfs/dbraw/zinc/70/73/71/564707371.db2.gz VWBJAORYVLSBGH-JTQLQIEISA-N 0 1 397.273 2.856 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@@H]1CCO ZINC000458690666 564712576 /nfs/dbraw/zinc/71/25/76/564712576.db2.gz PFDQJVOFFZDBIS-ZYHUDNBSSA-N 0 1 381.274 2.676 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000488566171 564714783 /nfs/dbraw/zinc/71/47/83/564714783.db2.gz UDXRMQCEIHGWHP-SNVBAGLBSA-N 0 1 384.479 2.910 20 0 GFADMN Cn1ccnc1Sc1ncc(C(=O)NCCN2CC=CCC2)cc1Cl ZINC000526025274 564716075 /nfs/dbraw/zinc/71/60/75/564716075.db2.gz FLLRKMDNJBXNIT-UHFFFAOYSA-N 0 1 377.901 2.611 20 0 GFADMN CO[C@@](C)(CNC(=O)NCc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC000458802271 564718645 /nfs/dbraw/zinc/71/86/45/564718645.db2.gz DVMVFHJOXVDWJG-INIZCTEOSA-N 0 1 381.274 2.940 20 0 GFADMN 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CCc1nc(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)n[nH]1 ZINC000615450973 565161651 /nfs/dbraw/zinc/16/16/51/565161651.db2.gz UIVZWHRCTBMCGH-UHFFFAOYSA-N 0 1 381.127 2.616 20 0 GFADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC000615780093 565174987 /nfs/dbraw/zinc/17/49/87/565174987.db2.gz RDLIOEDOGWDDLA-INIZCTEOSA-N 0 1 379.865 2.848 20 0 GFADMN COC(=O)C[C@H](NC(=O)c1cccc(Br)c1O)c1ccncc1 ZINC000615835283 565177245 /nfs/dbraw/zinc/17/72/45/565177245.db2.gz DRJSQEDUEBIFCB-ZDUSSCGKSA-N 0 1 379.210 2.584 20 0 GFADMN CCCCNC(=O)[C@@H]1CCCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000637991335 565180454 /nfs/dbraw/zinc/18/04/54/565180454.db2.gz LOKSWDQWWMIBPX-CYBMUJFWSA-N 0 1 394.317 2.620 20 0 GFADMN CC(C)(O)CN1CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000590295172 565183194 /nfs/dbraw/zinc/18/31/94/565183194.db2.gz AXOXTVMUMCTJSE-UHFFFAOYSA-N 0 1 385.295 2.932 20 0 GFADMN COc1ccc(CNCc2cnn3cc(Br)cnc23)cc1OC ZINC000638289162 565190032 /nfs/dbraw/zinc/19/00/32/565190032.db2.gz LEDDFLCYDPGDRV-UHFFFAOYSA-N 0 1 377.242 2.799 20 0 GFADMN COc1cccc(C[C@H](N)C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000638298113 565191383 /nfs/dbraw/zinc/19/13/83/565191383.db2.gz DYFROYNIRXBVMM-SFHVURJKSA-N 0 1 389.293 2.912 20 0 GFADMN NCc1ncc(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)cn1 ZINC000638473857 565198139 /nfs/dbraw/zinc/19/81/39/565198139.db2.gz NFJUMIBYNDDCOZ-CQSZACIVSA-N 0 1 393.310 2.705 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1F ZINC000590749642 565200520 /nfs/dbraw/zinc/20/05/20/565200520.db2.gz MILYEQIXTSAFIY-SMDDNHRTSA-N 0 1 379.400 2.785 20 0 GFADMN COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H](N)COC(C)C ZINC000638530850 565200477 /nfs/dbraw/zinc/20/04/77/565200477.db2.gz XSUUIMGELZGKSA-LSDHHAIUSA-N 0 1 385.302 2.874 20 0 GFADMN O=C(NC[C@H]1COCCN1)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000638617442 565205916 /nfs/dbraw/zinc/20/59/16/565205916.db2.gz ZPKHCYHSKQXDMC-LBPRGKRZSA-N 0 1 382.247 2.899 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc2cc(Br)sc2[nH]1 ZINC000616694635 565206844 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CN(C)c1ccnc(NC(=O)Cc2ccc(I)cc2)c1 ZINC000617113261 565221600 /nfs/dbraw/zinc/22/16/00/565221600.db2.gz USCXXWGUOLCHIS-UHFFFAOYSA-N 0 1 381.217 2.933 20 0 GFADMN O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1[O-] ZINC000617111340 565221890 /nfs/dbraw/zinc/22/18/90/565221890.db2.gz QCXPJUUSWYYBRP-UHFFFAOYSA-N 0 1 397.313 2.776 20 0 GFADMN O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1[O-] ZINC000617113847 565221940 /nfs/dbraw/zinc/22/19/40/565221940.db2.gz XRJMWRCMARGILT-UHFFFAOYSA-N 0 1 397.313 2.776 20 0 GFADMN COCCO[C@@H]1COCC[C@@H]1NCc1nc2cc(Br)ccc2o1 ZINC000639061722 565223100 /nfs/dbraw/zinc/22/31/00/565223100.db2.gz QAYOMUWWAQEQNZ-SWLSCSKDSA-N 0 1 385.258 2.500 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C[NH+](C)C)nc(N(C)CC3=CCSC3)c12 ZINC000659787901 565223199 /nfs/dbraw/zinc/22/31/99/565223199.db2.gz HAZGQXVKHQZQMB-UHFFFAOYSA-N 0 1 378.523 2.869 20 0 GFADMN COc1nsc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1Br ZINC000639080351 565224561 /nfs/dbraw/zinc/22/45/61/565224561.db2.gz QTYZZWZWISMCDY-GXFFZTMASA-N 0 1 387.303 2.658 20 0 GFADMN CN(CCc1cccc(Br)c1)Cc1ccc(S(N)(=O)=O)s1 ZINC000639197298 565232364 /nfs/dbraw/zinc/23/23/64/565232364.db2.gz PPIBLLBXVCPNIG-UHFFFAOYSA-N 0 1 389.340 2.833 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000639246845 565236354 /nfs/dbraw/zinc/23/63/54/565236354.db2.gz MKJMHEOIBONMGO-QGZVFWFLSA-N 0 1 380.535 2.779 20 0 GFADMN O=S1(=O)CCCN1C1CCN(Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000639261654 565236568 /nfs/dbraw/zinc/23/65/68/565236568.db2.gz PTNSQYXRIJWYOQ-UHFFFAOYSA-N 0 1 376.444 2.791 20 0 GFADMN Cc1c(C(=O)N[C@@H]2CCCN(C)C2)cnn1-c1ccc(Br)cc1 ZINC000617414707 565236999 /nfs/dbraw/zinc/23/69/99/565236999.db2.gz OWTFNKBMIQHYHV-CQSZACIVSA-N 0 1 377.286 2.767 20 0 GFADMN Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2CN(C)C)c1 ZINC000660008750 565238060 /nfs/dbraw/zinc/23/80/60/565238060.db2.gz GYBVEUOORKTAIP-ZDUSSCGKSA-N 0 1 375.332 2.862 20 0 GFADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000660009479 565238233 /nfs/dbraw/zinc/23/82/33/565238233.db2.gz TUXAVMRIZOKWFU-HNNXBMFYSA-N 0 1 375.332 2.695 20 0 GFADMN CCCN1CC[C@@H](NS(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000660027774 565240531 /nfs/dbraw/zinc/24/05/31/565240531.db2.gz OWLWHOBBQQOTAV-MRVPVSSYSA-N 0 1 387.752 2.927 20 0 GFADMN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000639435688 565245837 /nfs/dbraw/zinc/24/58/37/565245837.db2.gz YLSKYCZVLDCDSN-IRXDYDNUSA-N 0 1 389.323 2.530 20 0 GFADMN C[C@H]1OCC[C@H]1CN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000639472485 565248510 /nfs/dbraw/zinc/24/85/10/565248510.db2.gz KDSDEWYZSNCLFD-OLZOCXBDSA-N 0 1 378.947 2.523 20 0 GFADMN CN(CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000660083856 565249057 /nfs/dbraw/zinc/24/90/57/565249057.db2.gz VSJGMOMTPJFESH-BHYGNILZSA-N 0 1 382.551 2.777 20 0 GFADMN O[C@H](CN(Cc1csc(Br)c1)C1CC1)CC1(O)CCOCC1 ZINC000639545930 565249575 /nfs/dbraw/zinc/24/95/75/565249575.db2.gz FVULBJKQISPHKV-AWEZNQCLSA-N 0 1 390.343 2.768 20 0 GFADMN COc1ccc(Br)c(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000639714584 565257178 /nfs/dbraw/zinc/25/71/78/565257178.db2.gz WAQKGOVLONIWPW-SNVBAGLBSA-N 0 1 380.242 2.648 20 0 GFADMN COCc1nc(CNC(=O)c2coc3c2cc(Br)cc3C)n[nH]1 ZINC000617935495 565267994 /nfs/dbraw/zinc/26/79/94/565267994.db2.gz CROZFZCZCVEXEC-UHFFFAOYSA-N 0 1 379.214 2.698 20 0 GFADMN COCc1nnc(CNC(=O)c2coc3c2cc(Br)cc3C)[nH]1 ZINC000617935495 565267997 /nfs/dbraw/zinc/26/79/97/565267997.db2.gz CROZFZCZCVEXEC-UHFFFAOYSA-N 0 1 379.214 2.698 20 0 GFADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000592403692 565274068 /nfs/dbraw/zinc/27/40/68/565274068.db2.gz FOECJXRVMQCEEC-IRXDYDNUSA-N 0 1 387.307 2.820 20 0 GFADMN OC[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000640040638 565276587 /nfs/dbraw/zinc/27/65/87/565276587.db2.gz FADMXAYDGMTNSB-MVWJERBFSA-N 0 1 388.213 2.836 20 0 GFADMN CCOc1c(Cl)cc(CNCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000592445962 565276773 /nfs/dbraw/zinc/27/67/73/565276773.db2.gz UHXTWIOHSDPJRA-UHFFFAOYSA-N 0 1 384.885 2.685 20 0 GFADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1nnc(S(C)(=O)=O)s1 ZINC000660708388 565290640 /nfs/dbraw/zinc/29/06/40/565290640.db2.gz OLNTYFZHIGJZDX-QMMMGPOBSA-N 0 1 385.902 2.664 20 0 GFADMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1nnc(S(C)(=O)=O)s1 ZINC000660708382 565290736 /nfs/dbraw/zinc/29/07/36/565290736.db2.gz OLNTYFZHIGJZDX-MRVPVSSYSA-N 0 1 385.902 2.664 20 0 GFADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CC1CN(C)C1 ZINC000660987109 565301803 /nfs/dbraw/zinc/30/18/03/565301803.db2.gz PLSMNYKTDCJSHA-WBMJQRKESA-N 0 1 384.318 2.728 20 0 GFADMN O=S(=O)(Nc1cnccc1-n1cccn1)c1cc(Br)ccc1F ZINC000592973667 565305515 /nfs/dbraw/zinc/30/55/15/565305515.db2.gz FUVQVMFIISIYHC-UHFFFAOYSA-N 0 1 397.229 2.970 20 0 GFADMN C[C@H](NC(=O)CN1CC[C@@H](Cn2ccnn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000661145739 565309568 /nfs/dbraw/zinc/30/95/68/565309568.db2.gz DOGBYJPLDZJYDW-QWHCGFSZSA-N 0 1 382.295 2.784 20 0 GFADMN C[C@]1(C2CC2)CN(C[C@H](O)COc2cc(F)cc(Br)c2)CCO1 ZINC000661166862 565311642 /nfs/dbraw/zinc/31/16/42/565311642.db2.gz CPHDDEPCEUOWJY-DOTOQJQBSA-N 0 1 388.277 2.829 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000640565831 565316754 /nfs/dbraw/zinc/31/67/54/565316754.db2.gz XKTDKGHUOBACRB-HNNXBMFYSA-N 0 1 393.285 2.761 20 0 GFADMN COc1ncc(Br)cc1CNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640577435 565317861 /nfs/dbraw/zinc/31/78/61/565317861.db2.gz RVIAPLGISWHQEK-UHFFFAOYSA-N 0 1 394.273 2.631 20 0 GFADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1csc(I)c1 ZINC000593189212 565318729 /nfs/dbraw/zinc/31/87/29/565318729.db2.gz XPCMVONNLOKJBQ-OPRDCNLKSA-N 0 1 378.279 2.906 20 0 GFADMN COC(=O)c1cc(Br)cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)c1 ZINC000593191285 565318785 /nfs/dbraw/zinc/31/87/85/565318785.db2.gz XNRLLINSMFFIRN-GRYCIOLGSA-N 0 1 383.286 2.789 20 0 GFADMN CN(C)c1ccnc(NC(=O)COc2cccc(I)c2)c1 ZINC000618861945 565319359 /nfs/dbraw/zinc/31/93/59/565319359.db2.gz ISPATVWJINZMDO-UHFFFAOYSA-N 0 1 397.216 2.770 20 0 GFADMN 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AYADOHRHGPVCGB-UWVGGRQHSA-N 0 1 389.395 2.862 20 0 GFADMN C[C@H](c1ccc(Br)cc1)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641042474 565343154 /nfs/dbraw/zinc/34/31/54/565343154.db2.gz DGHVYDDEBFRZSF-GFCCVEGCSA-N 0 1 393.285 2.947 20 0 GFADMN Cc1c(Br)cccc1Cn1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641118600 565347332 /nfs/dbraw/zinc/34/73/32/565347332.db2.gz PKPIINAPOXEJNA-UHFFFAOYSA-N 0 1 393.285 2.694 20 0 GFADMN CC(C)NC(=O)[C@@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000662114268 565351243 /nfs/dbraw/zinc/35/12/43/565351243.db2.gz WTDROLYAXWTAAK-CYBMUJFWSA-N 0 1 379.302 2.833 20 0 GFADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[C@H]2COC[C@@H]2C1 ZINC000620145626 565372223 /nfs/dbraw/zinc/37/22/23/565372223.db2.gz NBYBJUYOMARJBZ-STQMWFEESA-N 0 1 376.254 2.948 20 0 GFADMN C[C@H]1COCCN1C1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000641654980 565391382 /nfs/dbraw/zinc/39/13/82/565391382.db2.gz VPYYDKJIBYCVOP-LBPRGKRZSA-N 0 1 381.318 2.806 20 0 GFADMN O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000641663597 565391485 /nfs/dbraw/zinc/39/14/85/565391485.db2.gz BXDPFQLGWKIPHX-HNNXBMFYSA-N 0 1 386.323 2.520 20 0 GFADMN C[C@@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663312486 565411633 /nfs/dbraw/zinc/41/16/33/565411633.db2.gz DCMOVZGLDQOFCN-LLVKDONJSA-N 0 1 388.114 2.786 20 0 GFADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Br)c[nH]c1=O ZINC000621249804 565411864 /nfs/dbraw/zinc/41/18/64/565411864.db2.gz CNPVKSHMNDUOLC-CYBMUJFWSA-N 0 1 380.242 2.710 20 0 GFADMN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3c(C)cnn3C)ccc2s1 ZINC000594728416 565412285 /nfs/dbraw/zinc/41/22/85/565412285.db2.gz FPTVYBAJYSNMFI-UHFFFAOYSA-N 0 1 379.463 2.921 20 0 GFADMN Cc1nc(CN2CCN(Cc3cccc(Br)c3Cl)CC2)n[nH]1 ZINC000663375173 565416833 /nfs/dbraw/zinc/41/68/33/565416833.db2.gz DEUKVSDSNKLBRS-UHFFFAOYSA-N 0 1 384.709 2.847 20 0 GFADMN CCc1nc(CNCc2cc(Cl)ccc2I)n[nH]1 ZINC000594942996 565436989 /nfs/dbraw/zinc/43/69/89/565436989.db2.gz FSLAAHSHWSWYRZ-UHFFFAOYSA-N 0 1 376.629 2.915 20 0 GFADMN COc1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(Br)c1O ZINC000594959012 565438357 /nfs/dbraw/zinc/43/83/57/565438357.db2.gz BZOSHWDAGOLARD-JWCBKOKGSA-N 0 1 376.316 2.943 20 0 GFADMN C[S@](=O)[C@@H]1CCC[C@H](NCc2ncc(I)s2)C1 ZINC000594963084 565438671 /nfs/dbraw/zinc/43/86/71/565438671.db2.gz AYYDZKXMKHCRID-BTKFHORUSA-N 0 1 384.308 2.527 20 0 GFADMN CC(C)(C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1cnc[nH]1 ZINC000621981562 565453580 /nfs/dbraw/zinc/45/35/80/565453580.db2.gz WFDZMGWDQZUXSA-UHFFFAOYSA-N 0 1 390.241 2.816 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@H]1C ZINC000622835414 565476913 /nfs/dbraw/zinc/47/69/13/565476913.db2.gz RLFFVENWUJPVFO-KFZJALRRSA-N 0 1 396.329 2.863 20 0 GFADMN CC(C)OCC[C@H](O)CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000644515350 565478800 /nfs/dbraw/zinc/47/88/00/565478800.db2.gz LUESGCYORAKPCB-NSHDSACASA-N 0 1 380.798 2.667 20 0 GFADMN CCOC(=O)c1c(C)[nH]nc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000595492791 565479165 /nfs/dbraw/zinc/47/91/65/565479165.db2.gz 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GFADMN O=C(Nc1nc2ccc(I)cc2[nH]1)C1CCC(=O)CC1 ZINC000598423614 565616055 /nfs/dbraw/zinc/61/60/55/565616055.db2.gz MSYPUFBGBCCUFW-UHFFFAOYSA-N 0 1 383.189 2.865 20 0 GFADMN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@H]1CCCOCC1 ZINC000598427777 565617221 /nfs/dbraw/zinc/61/72/21/565617221.db2.gz KNEHULRENKKFJN-VIFPVBQESA-N 0 1 385.205 2.923 20 0 GFADMN CCCN(C(=O)C(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCN(C)C1 ZINC000646765533 565617552 /nfs/dbraw/zinc/61/75/52/565617552.db2.gz DLRSUSCZIAMBMN-LBPRGKRZSA-N 0 1 378.523 2.753 20 0 GFADMN Cc1c(Br)cc(S(C)(=O)=O)cc1-c1nc([C@H]2CCCN2)no1 ZINC000647147169 565642152 /nfs/dbraw/zinc/64/21/52/565642152.db2.gz MBKKERYUFACGBW-GFCCVEGCSA-N 0 1 386.271 2.636 20 0 GFADMN FC(F)Oc1ccc(CN2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000668536601 565652256 /nfs/dbraw/zinc/65/22/56/565652256.db2.gz YNDYASLCMSMYOC-CYBMUJFWSA-N 0 1 391.256 2.957 20 0 GFADMN Brc1cccc2c(CN3CCN([C@H]4CCOC4)CC3)ccnc12 ZINC000668536308 565652525 /nfs/dbraw/zinc/65/25/25/565652525.db2.gz SAHLEYHDBAYZTG-HNNXBMFYSA-N 0 1 376.298 2.904 20 0 GFADMN CCOc1cc(CN2CCN([C@@H]3CCOC3)CC2)cc(Br)c1OC ZINC000668538032 565652635 /nfs/dbraw/zinc/65/26/35/565652635.db2.gz TXRNBCSMUZFUHI-OAHLLOKOSA-N 0 1 399.329 2.763 20 0 GFADMN C[C@H]1CN(Cc2ccc(Br)cc2N2CCOCC2)C[C@H](C)C1O ZINC000668554697 565653465 /nfs/dbraw/zinc/65/34/65/565653465.db2.gz RKFGFZNHMXTFRQ-KBPBESRZSA-N 0 1 383.330 2.734 20 0 GFADMN CC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(I)cc1 ZINC000599055737 565655401 /nfs/dbraw/zinc/65/54/01/565655401.db2.gz POHOTELUVAVBIQ-KGLIPLIRSA-N 0 1 385.249 2.799 20 0 GFADMN CCN(C(=O)C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCN(C)C1 ZINC000668708144 565661938 /nfs/dbraw/zinc/66/19/38/565661938.db2.gz TWOOKOITZWXDGX-HIFRSBDPSA-N 0 1 381.929 2.546 20 0 GFADMN CCN(C(=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl)[C@H]1CCN(C)C1 ZINC000668781283 565666329 /nfs/dbraw/zinc/66/63/29/565666329.db2.gz ONEQBDMMPHPYHK-STQMWFEESA-N 0 1 386.323 2.766 20 0 GFADMN CN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599306144 565668355 /nfs/dbraw/zinc/66/83/55/565668355.db2.gz TZXHSSNWEKOMIU-INIZCTEOSA-N 0 1 384.307 2.762 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCc3sc(Cl)cc32)on1 ZINC000599311140 565668455 /nfs/dbraw/zinc/66/84/55/565668455.db2.gz FADIALRLGKMPIF-MRVPVSSYSA-N 0 1 376.843 2.532 20 0 GFADMN Cc1cc(Br)ccc1[C@H]1CCCN1C[C@@H](O)CN1CCOCC1 ZINC000626009625 565669768 /nfs/dbraw/zinc/66/97/68/565669768.db2.gz NJSRKIPEDZBOHH-FUHWJXTLSA-N 0 1 383.330 2.588 20 0 GFADMN O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000647666176 565670844 /nfs/dbraw/zinc/67/08/44/565670844.db2.gz GHGCZGHTKLVGMJ-HNNXBMFYSA-N 0 1 399.304 2.844 20 0 GFADMN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000626169211 565681751 /nfs/dbraw/zinc/68/17/51/565681751.db2.gz IDCWFGPKRNNRKG-CYBMUJFWSA-N 0 1 383.901 2.756 20 0 GFADMN NCc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)o1 ZINC000648016955 565687153 /nfs/dbraw/zinc/68/71/53/565687153.db2.gz TWIQNGPFRBMZKJ-UHFFFAOYSA-N 0 1 379.254 2.937 20 0 GFADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000669828066 565703742 /nfs/dbraw/zinc/70/37/42/565703742.db2.gz BAZIDQZSWDTCGP-STQMWFEESA-N 0 1 381.523 2.676 20 0 GFADMN C[C@H]1C[C@H](NCc2cc(F)cc(Br)c2)C(=O)N1c1cnn(C)c1 ZINC000648464227 565715427 /nfs/dbraw/zinc/71/54/27/565715427.db2.gz OLPKKECYFMSJAA-BONVTDFDSA-N 0 1 381.249 2.605 20 0 GFADMN O=C(c1c(F)cccc1Br)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670389808 565721614 /nfs/dbraw/zinc/72/16/14/565721614.db2.gz NEMJAWCMVPKVKB-CYBMUJFWSA-N 0 1 385.277 2.915 20 0 GFADMN CC(C)[C@@H]1CNCCN1C(=O)NCc1ccc(Br)c(F)c1F ZINC000627181671 565725240 /nfs/dbraw/zinc/72/52/40/565725240.db2.gz VYPOEWXDXZNORK-LBPRGKRZSA-N 0 1 376.245 2.867 20 0 GFADMN O=C(c1sc2ccccc2c1Br)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627267327 565730508 /nfs/dbraw/zinc/73/05/08/565730508.db2.gz MPGISGYRFHZYRN-VXGBXAGGSA-N 0 1 395.322 2.945 20 0 GFADMN C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1cc(F)c(Cl)cc1Cl ZINC000670621835 565735232 /nfs/dbraw/zinc/73/52/32/565735232.db2.gz 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O=C1NCCN(Cc2[nH]nc3ccccc32)[C@@H]1c1cccc(Br)c1 ZINC000678289306 566006344 /nfs/dbraw/zinc/00/63/44/566006344.db2.gz YXNYAVQPSFWBBR-QGZVFWFLSA-N 0 1 385.265 2.999 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000632408807 566029118 /nfs/dbraw/zinc/02/91/18/566029118.db2.gz VYXUGGXASUABOU-UHFFFAOYSA-N 0 1 397.285 2.832 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000632408382 566029324 /nfs/dbraw/zinc/02/93/24/566029324.db2.gz DNMZVOPSDREYFL-UHFFFAOYSA-N 0 1 393.322 2.834 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1Br ZINC000632408321 566029592 /nfs/dbraw/zinc/02/95/92/566029592.db2.gz BIDHPFJMEGGJMU-UHFFFAOYSA-N 0 1 391.331 2.563 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1c(C)ccc2ncccc21)c1cccs1 ZINC000609542712 566043199 /nfs/dbraw/zinc/04/31/99/566043199.db2.gz OMPLZRNHDFNLFQ-HNNXBMFYSA-N 0 1 376.459 2.797 20 0 GFADMN CN1CCC[C@H](NC(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000609548474 566044471 /nfs/dbraw/zinc/04/44/71/566044471.db2.gz CHSNNHJTVDBCLE-FPTDNZKUSA-N 0 1 387.343 2.547 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000655504642 566060890 /nfs/dbraw/zinc/06/08/90/566060890.db2.gz GQXCLEDPSGRUCR-HNNXBMFYSA-N 0 1 387.343 2.756 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000655524309 566064205 /nfs/dbraw/zinc/06/42/05/566064205.db2.gz YVJNHHIIMXGOHZ-SMDDNHRTSA-N 0 1 375.332 2.660 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000655533744 566064795 /nfs/dbraw/zinc/06/47/95/566064795.db2.gz NRANUMIOAJSVKV-SMDDNHRTSA-N 0 1 387.343 2.802 20 0 GFADMN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680258430 566066508 /nfs/dbraw/zinc/06/65/08/566066508.db2.gz KDGUIYAIOHDSGJ-VIFPVBQESA-N 0 1 397.298 2.729 20 0 GFADMN COC(=O)[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(Br)cc1 ZINC000610150301 566069478 /nfs/dbraw/zinc/06/94/78/566069478.db2.gz HWULRAZZLQSHAH-XHBSWPGZSA-N 0 1 383.286 2.652 20 0 GFADMN COC(=O)[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(Br)cc1 ZINC000610150299 566069557 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YSQRUECGZXBGST-OAQYLSRUSA-N 0 1 395.415 2.784 20 0 GFADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000828252394 601728883 /nfs/dbraw/zinc/72/88/83/601728883.db2.gz TWPNFFJKIBLKEZ-SFGWALBWSA-N 0 1 388.508 2.817 20 0 GFADMN Cc1noc(C)c1[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833019080 601733247 /nfs/dbraw/zinc/73/32/47/601733247.db2.gz DCKWGHZQHJORKS-QKKBWIMNSA-N 0 1 385.464 2.631 20 0 GFADMN CCOc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000830070981 601734407 /nfs/dbraw/zinc/73/44/07/601734407.db2.gz LFWQTRIOVPYMTJ-QHCPKHFHSA-N 0 1 396.487 2.863 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)Cc2cccc(F)c2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833117759 601734849 /nfs/dbraw/zinc/73/48/49/601734849.db2.gz WYBXAWGQFSAJOL-OAQYLSRUSA-N 0 1 388.414 2.743 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000825942328 601740490 /nfs/dbraw/zinc/74/04/90/601740490.db2.gz RRVFTRITICEBSA-JOCHJYFZSA-N 0 1 397.475 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O=C([O-])C[C@@H]1CSCC[N@H+]1[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000833223471 601925466 /nfs/dbraw/zinc/92/54/66/601925466.db2.gz ZCXBKUKOTBUNAZ-QUCCMNQESA-N 0 1 384.501 2.936 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000828019933 601939695 /nfs/dbraw/zinc/93/96/95/601939695.db2.gz FIJJTLWXYGGXII-AUUYWEPGSA-N 0 1 387.461 2.815 20 0 GFADMN Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNC(=O)[O-])C2)ccc1Br ZINC000740084287 601944880 /nfs/dbraw/zinc/94/48/80/601944880.db2.gz SJOQWKKPOIELSK-NWDGAFQWSA-N 0 1 384.274 2.674 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000739584244 601972719 /nfs/dbraw/zinc/97/27/19/601972719.db2.gz JGUFRLIKPFZCCF-VXGBXAGGSA-N 0 1 377.268 2.807 20 0 GFADMN O=C([O-])Nc1cc(C(=O)NCC[NH+]2CCSCC2)cc(C(F)(F)F)c1 ZINC000833280928 602011442 /nfs/dbraw/zinc/01/14/42/602011442.db2.gz CTZMFFZZBVMXFH-UHFFFAOYSA-N 0 1 377.388 2.574 20 0 GFADMN C[N@H+]1CCC[C@@H](N2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)C1 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1 387.274 2.944 20 0 GFADMN COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(Br)c1OC ZINC000739905262 602791007 /nfs/dbraw/zinc/79/10/07/602791007.db2.gz HZMMQQJJOAPQRA-CMPLNLGQSA-N 0 1 387.274 2.944 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CSCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739084514 602849473 /nfs/dbraw/zinc/84/94/73/602849473.db2.gz RBNITNWMGIFWEL-OIISXLGYSA-N 0 1 377.510 2.551 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000737941086 602862801 /nfs/dbraw/zinc/86/28/01/602862801.db2.gz YRUSMUZJDUIZDK-HNNXBMFYSA-N 0 1 385.386 2.885 20 0 GFADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000740155924 602874732 /nfs/dbraw/zinc/87/47/32/602874732.db2.gz AZFCNBWOKUFNDX-KRWDZBQOSA-N 0 1 390.528 2.673 20 0 GFADMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000740155924 602874736 /nfs/dbraw/zinc/87/47/36/602874736.db2.gz AZFCNBWOKUFNDX-KRWDZBQOSA-N 0 1 390.528 2.673 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[C@@H]1NC(=O)[O-] ZINC000739140421 602931120 /nfs/dbraw/zinc/93/11/20/602931120.db2.gz VMDFVWRFMQRHAY-UHOFOFEASA-N 0 1 382.892 2.630 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739185556 602937891 /nfs/dbraw/zinc/93/78/91/602937891.db2.gz AKGSUBJTFKUNRR-PKOBYXMFSA-N 0 1 388.512 2.682 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)[C@H](C)C1 ZINC000827399586 602947493 /nfs/dbraw/zinc/94/74/93/602947493.db2.gz KPMZHCZZKGCYQP-NVXWUHKLSA-N 0 1 377.485 2.952 20 0 GFADMN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)CC1CCN(C(=O)[O-])CC1 ZINC000739738452 602966969 /nfs/dbraw/zinc/96/69/69/602966969.db2.gz GQQXBWUOZUXCRJ-UHFFFAOYSA-N 0 1 387.402 2.643 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739185483 603006276 /nfs/dbraw/zinc/00/62/76/603006276.db2.gz ACBXFJUPXGOSNP-DTDBQYNISA-N 0 1 375.469 2.671 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000739105838 603029937 /nfs/dbraw/zinc/02/99/37/603029937.db2.gz MGVPIVAROUSOIR-UONOGXRCSA-N 0 1 380.514 2.637 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739058352 603030609 /nfs/dbraw/zinc/03/06/09/603030609.db2.gz OEQUGIZWMMXITO-XHSDSOJGSA-N 0 1 390.484 2.684 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739099749 603043125 /nfs/dbraw/zinc/04/31/25/603043125.db2.gz DKDHIJDMHMVZHY-KZNAEPCWSA-N 0 1 380.533 2.672 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000740555858 603065937 /nfs/dbraw/zinc/06/59/37/603065937.db2.gz CGLUHDJPTDGFJV-FAEJEUNOSA-N 0 1 377.460 2.733 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000828382667 603066397 /nfs/dbraw/zinc/06/63/97/603066397.db2.gz JVGNCJIXIFUWDT-UXHICEINSA-N 0 1 381.476 2.771 20 0 GFADMN CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000738515508 603079350 /nfs/dbraw/zinc/07/93/50/603079350.db2.gz XLESEICMODHCJX-KRWDZBQOSA-N 0 1 392.500 2.611 20 0 GFADMN O=C([O-])NC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000740613822 603086820 /nfs/dbraw/zinc/08/68/20/603086820.db2.gz QVNCZCQYRQUKPK-XVLXNVKGSA-N 0 1 386.496 2.527 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CCC(NC(=O)[O-])CC2)cc1F ZINC000740238190 603095858 /nfs/dbraw/zinc/09/58/58/603095858.db2.gz YEAGZZNIOBDYEL-UHFFFAOYSA-N 0 1 389.431 2.698 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000739712281 603097322 /nfs/dbraw/zinc/09/73/22/603097322.db2.gz VAAGAIPOOKSYMN-IBGZPJMESA-N 0 1 388.512 2.586 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740568828 603252050 /nfs/dbraw/zinc/25/20/50/603252050.db2.gz NYZIYTCDGSPQTK-OWCLPIDISA-N 0 1 379.526 2.903 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739715835 603279005 /nfs/dbraw/zinc/27/90/05/603279005.db2.gz RJQKVXAXZCGPKU-RTBURBONSA-N 0 1 385.464 2.964 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739715835 603279006 /nfs/dbraw/zinc/27/90/06/603279006.db2.gz RJQKVXAXZCGPKU-RTBURBONSA-N 0 1 385.464 2.964 20 0 GFADMN CC[NH+]1CCN(CCCCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000739460700 603313420 /nfs/dbraw/zinc/31/34/20/603313420.db2.gz QUXYZKIUKFMGNY-UHFFFAOYSA-N 0 1 382.892 2.577 20 0 GFADMN O=C([O-])NC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832404225 603319579 /nfs/dbraw/zinc/31/95/79/603319579.db2.gz YRZNOHHZPGTMHG-UXHICEINSA-N 0 1 381.476 2.819 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC[N@H+]1CCOC ZINC000739279218 603353748 /nfs/dbraw/zinc/35/37/48/603353748.db2.gz MFNVNCQNYHZTGJ-KRWDZBQOSA-N 0 1 392.500 2.761 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000740244599 603359302 /nfs/dbraw/zinc/35/93/02/603359302.db2.gz WNILSMQBPXPFQV-AWEZNQCLSA-N 0 1 385.468 2.502 20 0 GFADMN CCn1cncc1[C@H]1CCCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000827707302 603402910 /nfs/dbraw/zinc/40/29/10/603402910.db2.gz RAUFVLUYFOMUOU-NSHGMRRFSA-N 0 1 386.496 2.670 20 0 GFADMN COc1ccc([C@H]2[C@H](COC(=O)c3ccc(CNC(=O)[O-])o3)CC[N@H+]2C)cc1 ZINC000829331567 603451667 /nfs/dbraw/zinc/45/16/67/603451667.db2.gz KKDRQHCFQQRNAG-KSSFIOAISA-N 0 1 388.420 2.906 20 0 GFADMN C[N@@H+](CCNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)Cc1ccccc1 ZINC000828321464 603478925 /nfs/dbraw/zinc/47/89/25/603478925.db2.gz SDOJODRMKNXGGH-UHFFFAOYSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825091814 603482718 /nfs/dbraw/zinc/48/27/18/603482718.db2.gz CZHJWZPVGWBVLX-ZVZYQTTQSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825091814 603482727 /nfs/dbraw/zinc/48/27/27/603482727.db2.gz CZHJWZPVGWBVLX-ZVZYQTTQSA-N 0 1 377.460 2.685 20 0 GFADMN CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)[O-] ZINC000824115500 603483767 /nfs/dbraw/zinc/48/37/67/603483767.db2.gz CDMPUSOOIKTJCJ-SZMVWBNQSA-N 0 1 376.501 2.631 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000825280951 603486257 /nfs/dbraw/zinc/48/62/57/603486257.db2.gz NYQGIUXKNZXAQL-KBXCAEBGSA-N 0 1 377.460 2.685 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000825280951 603486262 /nfs/dbraw/zinc/48/62/62/603486262.db2.gz NYQGIUXKNZXAQL-KBXCAEBGSA-N 0 1 377.460 2.685 20 0 GFADMN CC(C)(CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC(=O)[O-] ZINC000823917066 603533109 /nfs/dbraw/zinc/53/31/09/603533109.db2.gz ACRCSXOTWUWSJK-OAQYLSRUSA-N 0 1 388.512 2.730 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000824330236 603706234 /nfs/dbraw/zinc/70/62/34/603706234.db2.gz VZIPCUKPNZZAMG-SJLPKXTDSA-N 0 1 376.501 2.762 20 0 GFADMN O=C([O-])N1CCc2cccc(C[NH2+]CC(=O)Nc3ccc(F)c(F)c3F)c21 ZINC000831493273 603848009 /nfs/dbraw/zinc/84/80/09/603848009.db2.gz NVFYAXAWARZTLZ-UHFFFAOYSA-N 0 1 379.338 2.873 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-])c1ccccc1Cl ZINC000827994295 603889899 /nfs/dbraw/zinc/88/98/99/603889899.db2.gz KBQOZBUMYSYNFY-APHBMKBZSA-N 0 1 382.892 2.678 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)C[N@H+]1C1CC1 ZINC000825853539 603934127 /nfs/dbraw/zinc/93/41/27/603934127.db2.gz ZRQJPPYHJAKBTC-PBHICJAKSA-N 0 1 384.480 2.654 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])cn1 ZINC000830817752 603942140 /nfs/dbraw/zinc/94/21/40/603942140.db2.gz BYJIYMJVDDNGSD-SJORKVTESA-N 0 1 385.468 2.799 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])cn1 ZINC000830817750 603942156 /nfs/dbraw/zinc/94/21/56/603942156.db2.gz BYJIYMJVDDNGSD-IRXDYDNUSA-N 0 1 385.468 2.799 20 0 GFADMN Cc1cc(NC(=O)C[N@H+](C)C2CCN(C(=O)[O-])CC2)n(-c2ccc(C)cc2)n1 ZINC000830170865 603982283 /nfs/dbraw/zinc/98/22/83/603982283.db2.gz OPJMANBLCRQTPA-UHFFFAOYSA-N 0 1 385.468 2.502 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000828171292 603987817 /nfs/dbraw/zinc/98/78/17/603987817.db2.gz ZZBPPROOGOTDCN-ZDUSSCGKSA-N 0 1 377.268 2.807 20 0 GFADMN O=C([O-])NCCCOC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000832633561 604108822 /nfs/dbraw/zinc/10/88/22/604108822.db2.gz UAXPPKWOCYQGAZ-UHFFFAOYSA-N 0 1 376.432 2.650 20 0 GFADMN Cc1cc(C(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)c(C)n1-c1nccs1 ZINC000829903971 604110428 /nfs/dbraw/zinc/11/04/28/604110428.db2.gz DKRATXHQPCUHTR-UHFFFAOYSA-N 0 1 376.482 2.808 20 0 GFADMN Cc1cc(C(=O)C[N@H+](C)C2CCN(C(=O)[O-])CC2)c(C)n1-c1nccs1 ZINC000829903971 604110434 /nfs/dbraw/zinc/11/04/34/604110434.db2.gz DKRATXHQPCUHTR-UHFFFAOYSA-N 0 1 376.482 2.808 20 0 GFADMN C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828272403 604170556 /nfs/dbraw/zinc/17/05/56/604170556.db2.gz BBDWZKCYEVRDDG-UHFFFAOYSA-N 0 1 384.274 2.852 20 0 GFADMN Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)sc2c1 ZINC000830459159 604170841 /nfs/dbraw/zinc/17/08/41/604170841.db2.gz BGZPQOAWRZNOFO-QWHCGFSZSA-N 0 1 376.482 2.911 20 0 GFADMN Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)sc2c1 ZINC000830459159 604170846 /nfs/dbraw/zinc/17/08/46/604170846.db2.gz BGZPQOAWRZNOFO-QWHCGFSZSA-N 0 1 376.482 2.911 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000825252713 604186683 /nfs/dbraw/zinc/18/66/83/604186683.db2.gz GGOPQJWBUROELA-ULQDDVLXSA-N 0 1 388.512 2.982 20 0 GFADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000830385385 604199701 /nfs/dbraw/zinc/19/97/01/604199701.db2.gz CQIBBQAQWYRGSR-PMPSAXMXSA-N 0 1 390.484 2.708 20 0 GFADMN C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])ccc3N3CCCC3)CC[C@@H]21 ZINC000830941123 604315757 /nfs/dbraw/zinc/31/57/57/604315757.db2.gz SOYIRGVELNYDTO-AEFFLSMTSA-N 0 1 386.496 2.933 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000832338550 604356963 /nfs/dbraw/zinc/35/69/63/604356963.db2.gz IOBGGTGFKTYUMD-HAGHYFMRSA-N 0 1 385.508 2.936 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000831919356 604367826 /nfs/dbraw/zinc/36/78/26/604367826.db2.gz WBRIOWPONVPTKA-FUHWJXTLSA-N 0 1 386.448 2.674 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](CNc3cc(C)ccn3)C2)c1 ZINC000832040974 604464728 /nfs/dbraw/zinc/46/47/28/604464728.db2.gz MOLCXIFGQFNKAS-QRWLVFNGSA-N 0 1 385.464 2.967 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](CNc3cc(C)ccn3)C2)c1 ZINC000832040974 604464733 /nfs/dbraw/zinc/46/47/33/604464733.db2.gz MOLCXIFGQFNKAS-QRWLVFNGSA-N 0 1 385.464 2.967 20 0 GFADMN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000568064357 604482371 /nfs/dbraw/zinc/48/23/71/604482371.db2.gz BQOJZPVRUIUBRN-QYBDOPJKSA-N 0 1 377.462 2.699 20 0 GFADMN COC(=O)c1c(NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)sc2c1CCCC2 ZINC000831230940 604746081 /nfs/dbraw/zinc/74/60/81/604746081.db2.gz RNIFGXRXNXZUJH-NSHDSACASA-N 0 1 394.493 2.537 20 0 GFADMN COc1cc(-c2noc(C[N@H+](CCC(=O)[O-])C[C@@H]3CCCO3)n2)ccc1C ZINC000566357132 604763760 /nfs/dbraw/zinc/76/37/60/604763760.db2.gz HQXKVRMSGSUVLK-HNNXBMFYSA-N 0 1 375.425 2.509 20 0 GFADMN COc1cc(-c2noc(C[N@@H+](CCC(=O)[O-])C[C@@H]3CCCO3)n2)ccc1C ZINC000566357132 604763763 /nfs/dbraw/zinc/76/37/63/604763763.db2.gz HQXKVRMSGSUVLK-HNNXBMFYSA-N 0 1 375.425 2.509 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000832849241 604776285 /nfs/dbraw/zinc/77/62/85/604776285.db2.gz VTBKJOMUWVAWDL-JSGCOSHPSA-N 0 1 397.317 2.558 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000832849242 604776518 /nfs/dbraw/zinc/77/65/18/604776518.db2.gz VTBKJOMUWVAWDL-OCCSQVGLSA-N 0 1 397.317 2.558 20 0 GFADMN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)c1OCC(=O)[O-] ZINC000832861298 604832205 /nfs/dbraw/zinc/83/22/05/604832205.db2.gz YVSBGUNBDFCNCR-QFBILLFUSA-N 0 1 386.492 2.856 20 0 GFADMN O=C([O-])c1cn(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc12 ZINC000833340331 604835224 /nfs/dbraw/zinc/83/52/24/604835224.db2.gz RLSXDUUWBJIEFB-DNVCBOLYSA-N 0 1 381.476 2.815 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1C(=O)[O-] ZINC000831301437 604850377 /nfs/dbraw/zinc/85/03/77/604850377.db2.gz YUNIYRIWQJRDGK-CQSZACIVSA-N 0 1 391.468 2.661 20 0 GFADMN O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000832248942 604908783 /nfs/dbraw/zinc/90/87/83/604908783.db2.gz ZTVOHGKXKDEZNU-NMLBUPMWSA-N 0 1 385.508 2.936 20 0 GFADMN C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)CC[C@@H]21 ZINC000830941023 604929043 /nfs/dbraw/zinc/92/90/43/604929043.db2.gz PUKWBRCVSKHXOV-WFASDCNBSA-N 0 1 381.860 2.751 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000652499742 604939791 /nfs/dbraw/zinc/93/97/91/604939791.db2.gz KRGGSOYVLLQGAK-HNNXBMFYSA-N 0 1 383.510 2.682 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000833290907 604949671 /nfs/dbraw/zinc/94/96/71/604949671.db2.gz XNCBFQQMXBYODE-APWZRJJASA-N 0 1 398.463 2.781 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000833421661 604954852 /nfs/dbraw/zinc/95/48/52/604954852.db2.gz WVGKIJNNXOFQMO-CQSZACIVSA-N 0 1 387.480 2.573 20 0 GFADMN C[C@]1(c2ccccc2)CC[N@@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833578770 605000844 /nfs/dbraw/zinc/00/08/44/605000844.db2.gz SJTNKWGUUQGBNO-YWZLYKJASA-N 0 1 384.457 2.742 20 0 GFADMN C[C@]1(c2ccccc2)CC[N@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)[O-])C2=O)C1 ZINC000833578770 605000847 /nfs/dbraw/zinc/00/08/47/605000847.db2.gz SJTNKWGUUQGBNO-YWZLYKJASA-N 0 1 384.457 2.742 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833614894 605020538 /nfs/dbraw/zinc/02/05/38/605020538.db2.gz XDAAUSHPONEGHY-LBPRGKRZSA-N 0 1 388.917 2.827 20 0 GFADMN CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833507604 605045094 /nfs/dbraw/zinc/04/50/94/605045094.db2.gz WXVGKFQOYWBCFK-HOTGVXAUSA-N 0 1 377.485 2.725 20 0 GFADMN CC(C)COc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833488830 605056032 /nfs/dbraw/zinc/05/60/32/605056032.db2.gz QCMVRLSWJYPOOY-IAGOWNOFSA-N 0 1 391.512 2.973 20 0 GFADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+]C1(c2ccccc2F)CC1 ZINC000833764914 605143475 /nfs/dbraw/zinc/14/34/75/605143475.db2.gz PJWHPUXZOZJPMP-LJQANCHMSA-N 0 1 395.434 2.698 20 0 GFADMN CC[N@H+]1C[C@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1C ZINC000833658326 605145198 /nfs/dbraw/zinc/14/51/98/605145198.db2.gz QZXFNTNCXOFJQL-OLZOCXBDSA-N 0 1 379.526 2.678 20 0 GFADMN C[C@H]1C[C@@H](CCNC(=O)NC2CCN(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833593135 605145913 /nfs/dbraw/zinc/14/59/13/605145913.db2.gz VWOYEKGRGYRPGP-FUHWJXTLSA-N 0 1 388.512 2.729 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccnc1Sc1ccccc1 ZINC000833627613 605160004 /nfs/dbraw/zinc/16/00/04/605160004.db2.gz ZPOQDNLBACVLJI-OAHLLOKOSA-N 0 1 385.489 2.854 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000833548805 605200034 /nfs/dbraw/zinc/20/00/34/605200034.db2.gz NEQSUZVSLUNOAS-GUYCJALGSA-N 0 1 392.452 2.638 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000184967598 605201069 /nfs/dbraw/zinc/20/10/69/605201069.db2.gz ZJTJOBLIOFCBQL-GJZGRUSLSA-N 0 1 398.500 2.799 20 0 GFADMN C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000825170632 605203344 /nfs/dbraw/zinc/20/33/44/605203344.db2.gz BXMZADVKQGBAMS-NOZJJQNGSA-N 0 1 390.362 2.636 20 0 GFADMN C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000825170632 605203347 /nfs/dbraw/zinc/20/33/47/605203347.db2.gz BXMZADVKQGBAMS-NOZJJQNGSA-N 0 1 390.362 2.636 20 0 GFADMN O=C([O-])CCC[NH+]1CCC(NCc2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000833772847 605222638 /nfs/dbraw/zinc/22/26/38/605222638.db2.gz CRICQDDTJGPBNF-UHFFFAOYSA-N 0 1 396.491 2.753 20 0 GFADMN C[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1CCC(=O)[O-] ZINC000833621031 605258822 /nfs/dbraw/zinc/25/88/22/605258822.db2.gz ZERSPEANEBUFHQ-MRXNPFEDSA-N 0 1 386.492 2.536 20 0 GFADMN C[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@H+]1CCC(=O)[O-] ZINC000833621031 605258823 /nfs/dbraw/zinc/25/88/23/605258823.db2.gz ZERSPEANEBUFHQ-MRXNPFEDSA-N 0 1 386.492 2.536 20 0 GFADMN O=C([O-])N(CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000831450755 605272567 /nfs/dbraw/zinc/27/25/67/605272567.db2.gz HEQLSUVPRWUGJC-UHFFFAOYSA-N 0 1 383.448 2.684 20 0 GFADMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c(C)n1Cc1ccccc1 ZINC000833742590 605277386 /nfs/dbraw/zinc/27/73/86/605277386.db2.gz QHEWEPQYDNFROZ-KRWDZBQOSA-N 0 1 383.492 2.774 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000825818543 605371217 /nfs/dbraw/zinc/37/12/17/605371217.db2.gz ZNISAPJJKXFJFH-WWGRRREGSA-N 0 1 382.892 2.773 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000834111003 605387305 /nfs/dbraw/zinc/38/73/05/605387305.db2.gz YSIKKMHMNHSXDU-ZYSHUDEJSA-N 0 1 387.480 2.905 20 0 GFADMN O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000834110999 605388279 /nfs/dbraw/zinc/38/82/79/605388279.db2.gz YSIKKMHMNHSXDU-AYOQOUSVSA-N 0 1 387.480 2.905 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=S)NCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500290 605418603 /nfs/dbraw/zinc/41/86/03/605418603.db2.gz PGBSYZKYCUHDFS-DOTOQJQBSA-N 0 1 385.480 2.818 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=S)NCCCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000833500290 605418605 /nfs/dbraw/zinc/41/86/05/605418605.db2.gz PGBSYZKYCUHDFS-DOTOQJQBSA-N 0 1 385.480 2.818 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Br)c3)C[C@@H]21 ZINC000834185923 605437177 /nfs/dbraw/zinc/43/71/77/605437177.db2.gz IOKYMMGYYXHBKJ-BVUBDWEXSA-N 0 1 383.286 2.851 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)C[C@H]21 ZINC000834188998 605445367 /nfs/dbraw/zinc/44/53/67/605445367.db2.gz RKNKODRSYTXJOG-MIGQKNRLSA-N 0 1 383.286 2.851 20 0 GFADMN C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000833523554 605447385 /nfs/dbraw/zinc/44/73/85/605447385.db2.gz RQQUVKUOTCFQGX-NVXWUHKLSA-N 0 1 388.489 2.574 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1F ZINC000830817915 605518800 /nfs/dbraw/zinc/51/88/00/605518800.db2.gz DZNZYWFKOVFDIB-SWLSCSKDSA-N 0 1 389.431 2.650 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000834166095 605519583 /nfs/dbraw/zinc/51/95/83/605519583.db2.gz CUBDJDNQKJDFST-OMQSBVIBSA-N 0 1 385.508 2.840 20 0 GFADMN O=C([O-])N1CCOC[C@@H]1c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000834118329 605711164 /nfs/dbraw/zinc/71/11/64/605711164.db2.gz WAKXLYHJEMODCZ-GDBMZVCRSA-N 0 1 390.415 2.640 20 0 GFADMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)o1 ZINC000827583532 605757143 /nfs/dbraw/zinc/75/71/43/605757143.db2.gz KKTVTXROGJGJSN-PBHICJAKSA-N 0 1 377.485 2.874 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)COCc1ccccc1Cl ZINC000834162560 605771397 /nfs/dbraw/zinc/77/13/97/605771397.db2.gz ZLOKEIVDNMZLSN-HMQMGEFJSA-N 0 1 382.888 2.871 20 0 GFADMN Cn1cc(-c2nc([C@H]3CCCCC[N@H+]3C[C@H]3CCCN(C(=O)[O-])C3)no2)cn1 ZINC000833945011 605777344 /nfs/dbraw/zinc/77/73/44/605777344.db2.gz LPEZIGNHMZYUEV-GDBMZVCRSA-N 0 1 388.472 2.777 20 0 GFADMN C[C@@H]1CCC[C@@H]([N@@H+](CC(=O)NCCC(=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000833607623 605779803 /nfs/dbraw/zinc/77/98/03/605779803.db2.gz HNJSLUPCXRRCCL-BFYDXBDKSA-N 0 1 390.480 2.633 20 0 GFADMN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833468097 605785520 /nfs/dbraw/zinc/78/55/20/605785520.db2.gz MOKJYQPKUGYNNT-VBNZEHGJSA-N 0 1 385.867 2.880 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833827288 605891490 /nfs/dbraw/zinc/89/14/90/605891490.db2.gz ANRYSKRKZLMFGD-BRWVUGGUSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000833833414 605896897 /nfs/dbraw/zinc/89/68/97/605896897.db2.gz XODKIAQVZLHZQF-WZRBSPASSA-N 0 1 377.268 2.711 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](CNC(=O)[O-])C[C@H]2C)cc1F ZINC000833918521 605917524 /nfs/dbraw/zinc/91/75/24/605917524.db2.gz OIUMISSVCDRMHN-IUODEOHRSA-N 0 1 389.431 2.507 20 0 GFADMN O=C([O-])Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000834265584 605991126 /nfs/dbraw/zinc/99/11/26/605991126.db2.gz YLLNLOVXMDIDPK-IBGZPJMESA-N 0 1 383.448 2.663 20 0 GFADMN C[NH+]1CCC(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000821622109 606020543 /nfs/dbraw/zinc/02/05/43/606020543.db2.gz SBHJJSHHNWQOMQ-UHFFFAOYSA-N 0 1 382.493 2.553 20 0 GFADMN O=C([O-])N[C@H](CC(F)F)C(=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000834138215 606028058 /nfs/dbraw/zinc/02/80/58/606028058.db2.gz QWPZBWCDGXTUMF-JKSUJKDBSA-N 0 1 382.407 2.584 20 0 GFADMN c1ccc(CN2CCC(Nc3nc4ccccc4cc3-c3nn[nH]n3)CC2)nc1 ZINC000823779751 606054077 /nfs/dbraw/zinc/05/40/77/606054077.db2.gz IEDJJZMWDNHBRG-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN O=C(Nc1cccc(CNCc2cc(-c3nn[nH]n3)cs2)c1)c1ccccn1 ZINC000823363792 606212020 /nfs/dbraw/zinc/21/20/20/606212020.db2.gz NOEPCYGOUOEBHH-UHFFFAOYSA-N 0 1 391.460 2.865 20 0 GFADMN COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](c2ccccc2C)C1 ZINC000821651650 606319205 /nfs/dbraw/zinc/31/92/05/606319205.db2.gz CZTGTNRITNNAMG-IEBWSBKVSA-N 0 1 377.448 2.879 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939922 606337246 /nfs/dbraw/zinc/33/72/46/606337246.db2.gz LNVNQYJDPKUKCC-QGZVFWFLSA-N 0 1 378.502 2.711 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939922 606337247 /nfs/dbraw/zinc/33/72/47/606337247.db2.gz LNVNQYJDPKUKCC-QGZVFWFLSA-N 0 1 378.502 2.711 20 0 GFADMN COc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000821790253 606414829 /nfs/dbraw/zinc/41/48/29/606414829.db2.gz LCGRNSLXURSOPU-UHFFFAOYSA-N 0 1 381.408 2.871 20 0 GFADMN COc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1OC(F)F ZINC000821790253 606414831 /nfs/dbraw/zinc/41/48/31/606414831.db2.gz LCGRNSLXURSOPU-UHFFFAOYSA-N 0 1 381.408 2.871 20 0 GFADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cccc(CN2CCSCC2)c1 ZINC000823108273 606539729 /nfs/dbraw/zinc/53/97/29/606539729.db2.gz KWEZIUIEEKYBOA-UHFFFAOYSA-N 0 1 394.504 2.597 20 0 GFADMN O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176283 606540447 /nfs/dbraw/zinc/54/04/47/606540447.db2.gz QZYRLUZYXLLGEQ-UHFFFAOYSA-N 0 1 388.522 2.632 20 0 GFADMN CN(C(=O)c1ccc(-c2nn[nH]n2)s1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821573638 606580912 /nfs/dbraw/zinc/58/09/12/606580912.db2.gz YIIQRUPFXGOMNG-OAHLLOKOSA-N 0 1 382.493 2.665 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761255 606584568 /nfs/dbraw/zinc/58/45/68/606584568.db2.gz WLSOVFIPTJCSCQ-DZGCQCFKSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761255 606584570 /nfs/dbraw/zinc/58/45/70/606584570.db2.gz WLSOVFIPTJCSCQ-DZGCQCFKSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761255 606584572 /nfs/dbraw/zinc/58/45/72/606584572.db2.gz WLSOVFIPTJCSCQ-DZGCQCFKSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761255 606584573 /nfs/dbraw/zinc/58/45/73/606584573.db2.gz WLSOVFIPTJCSCQ-DZGCQCFKSA-N 0 1 382.493 2.569 20 0 GFADMN COCCCOc1cc(C)ccc1CNCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821687741 606727555 /nfs/dbraw/zinc/72/75/55/606727555.db2.gz MMBFPLUHFNWRQB-UHFFFAOYSA-N 0 1 397.479 2.889 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804785 606783205 /nfs/dbraw/zinc/78/32/05/606783205.db2.gz ZNYSZABRAIXDME-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1csc2ccccc12 ZINC000820804785 606783206 /nfs/dbraw/zinc/78/32/06/606783206.db2.gz ZNYSZABRAIXDME-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1csc2ccccc12 ZINC000820804785 606783208 /nfs/dbraw/zinc/78/32/08/606783208.db2.gz ZNYSZABRAIXDME-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1csc2ccccc12 ZINC000820804785 606783210 /nfs/dbraw/zinc/78/32/10/606783210.db2.gz ZNYSZABRAIXDME-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN FC(F)(F)c1cc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1-c1nn[nH]n1 ZINC000822723789 606876777 /nfs/dbraw/zinc/87/67/77/606876777.db2.gz OMHMSYOCHQWRNI-CVEARBPZSA-N 0 1 396.417 2.941 20 0 GFADMN Cc1cccc([C@H](C)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822288568 606892269 /nfs/dbraw/zinc/89/22/69/606892269.db2.gz BVGHIXRCKBGFPH-LLVKDONJSA-N 0 1 393.419 2.535 20 0 GFADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000820427580 607055655 /nfs/dbraw/zinc/05/56/55/607055655.db2.gz TZIHARHHVGRERH-GFCCVEGCSA-N 0 1 382.399 2.813 20 0 GFADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000820426372 607058891 /nfs/dbraw/zinc/05/88/91/607058891.db2.gz IWTSXELKRBHROR-ZDUSSCGKSA-N 0 1 380.427 2.983 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](CC(C)C)C2)cc1-c1nn[nH]n1 ZINC000821971032 607072472 /nfs/dbraw/zinc/07/24/72/607072472.db2.gz WDOWZTSRHABCRG-NSHDSACASA-N 0 1 376.486 2.588 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2cnc(Cl)s2)c2ccc(Cl)cc12 ZINC000823658039 607168754 /nfs/dbraw/zinc/16/87/54/607168754.db2.gz YSLADNPCVRCYTK-UHFFFAOYSA-N 0 1 379.232 2.993 20 0 GFADMN CC(C)C[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824245372 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CC[C@H](NCc1cn(C)nc1I)[C@H](O)c1ccccc1 ZINC000895476721 663516527 /nfs/dbraw/zinc/51/65/27/663516527.db2.gz NCKKACGUALWZAL-UONOGXRCSA-N 0 1 385.249 2.627 20 0 GFADMN FC(F)(F)c1ccn(CCNCc2sc(N3CCOCC3)nc2Cl)n1 ZINC000895475176 663516534 /nfs/dbraw/zinc/51/65/34/663516534.db2.gz STQVKLUMRGEZKV-UHFFFAOYSA-N 0 1 395.838 2.638 20 0 GFADMN Cc1n[nH]c(I)c1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000895635347 663521752 /nfs/dbraw/zinc/52/17/52/663521752.db2.gz SGKWPUAEKKOJGY-LLVKDONJSA-N 0 1 382.205 2.695 20 0 GFADMN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000895766829 663526777 /nfs/dbraw/zinc/52/67/77/663526777.db2.gz YOVQPUYOKJJLFB-QGZVFWFLSA-N 0 1 381.270 2.642 20 0 GFADMN CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCCN1CCC(O)CC1 ZINC000895881811 663531766 /nfs/dbraw/zinc/53/17/66/663531766.db2.gz NXGVCEUQBSRYFQ-MRXNPFEDSA-N 0 1 398.345 2.526 20 0 GFADMN CCN(CC)[C@H](CNC(=O)c1nn2c(c1Br)CCC2)c1ccco1 ZINC000895935500 663534144 /nfs/dbraw/zinc/53/41/44/663534144.db2.gz HGQPYGWMSUBKQB-CYBMUJFWSA-N 0 1 395.301 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O=C(Nc1cccc2c(Br)ccnc12)C1CN([C@H]2CCOC2)C1 ZINC000897919680 663625928 /nfs/dbraw/zinc/62/59/28/663625928.db2.gz PRCJNVWCJKKTNE-LBPRGKRZSA-N 0 1 376.254 2.657 20 0 GFADMN COc1cc(CN[C@H]2c3ccccc3OC[C@H]2CO)cc(Br)c1O ZINC000897952872 663626942 /nfs/dbraw/zinc/62/69/42/663626942.db2.gz KPRITNYHKKLLRZ-SJKOYZFVSA-N 0 1 394.265 2.995 20 0 GFADMN COc1ccc(Br)c(CNC[C@]2(c3cnn(C)c3)CCCO2)c1 ZINC000898059088 663631554 /nfs/dbraw/zinc/63/15/54/663631554.db2.gz XVBDKVKYKPLHAS-KRWDZBQOSA-N 0 1 380.286 2.987 20 0 GFADMN O=C(c1nc(Br)ccc1Br)N1CC(N2CCCC2)C1 ZINC000898603953 663657620 /nfs/dbraw/zinc/65/76/20/663657620.db2.gz SKDYFSJCUREOPS-UHFFFAOYSA-N 0 1 389.091 2.527 20 0 GFADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898853856 663666187 /nfs/dbraw/zinc/66/61/87/663666187.db2.gz GGMOCLMFFDNVRK-ZJUUUORDSA-N 0 1 385.251 2.699 20 0 GFADMN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898853856 663666188 /nfs/dbraw/zinc/66/61/88/663666188.db2.gz GGMOCLMFFDNVRK-ZJUUUORDSA-N 0 1 385.251 2.699 20 0 GFADMN COc1ccc(C(=O)CCC(=O)NCc2nc(CSC)n[nH]2)c(Cl)c1 ZINC000899473015 663689961 /nfs/dbraw/zinc/68/99/61/663689961.db2.gz HDYKVEGRNIMRKK-UHFFFAOYSA-N 0 1 382.873 2.609 20 0 GFADMN COc1ccc(C(=O)CCC(=O)NCc2nnc(CSC)[nH]2)c(Cl)c1 ZINC000899473015 663689962 /nfs/dbraw/zinc/68/99/62/663689962.db2.gz HDYKVEGRNIMRKK-UHFFFAOYSA-N 0 1 382.873 2.609 20 0 GFADMN COc1ccc([C@@H]([NH2+]Cc2cc(Br)cnc2OC)C(=O)[O-])cc1F ZINC000901858834 663748393 /nfs/dbraw/zinc/74/83/93/663748393.db2.gz DGWFRZWWEJIQKJ-CQSZACIVSA-N 0 1 399.216 2.916 20 0 GFADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000901866053 663748570 /nfs/dbraw/zinc/74/85/70/663748570.db2.gz SAHNAAZQTCCNCY-KRWDZBQOSA-N 0 1 384.270 2.697 20 0 GFADMN Cc1cc(Br)cn2c(C[N@@H+]3CCSC[C@H](C(=O)[O-])C3)cnc12 ZINC000901892490 663749763 /nfs/dbraw/zinc/74/97/63/663749763.db2.gz XVQMUXUQJJDFKD-LLVKDONJSA-N 0 1 384.299 2.655 20 0 GFADMN Cc1cc(Br)cn2c(C[N@H+]3CCSC[C@H](C(=O)[O-])C3)cnc12 ZINC000901892490 663749764 /nfs/dbraw/zinc/74/97/64/663749764.db2.gz XVQMUXUQJJDFKD-LLVKDONJSA-N 0 1 384.299 2.655 20 0 GFADMN COC(=O)c1cc2[nH]c(NCc3cn(C(C)C)nn3)nc2c(Br)c1 ZINC000902301654 663758728 /nfs/dbraw/zinc/75/87/28/663758728.db2.gz ZYVOGERYVHSNDM-UHFFFAOYSA-N 0 1 393.245 2.897 20 0 GFADMN CC(C)C[C@@H](NCc1nn(C)cc1I)C1CCOCC1 ZINC000903012705 663771182 /nfs/dbraw/zinc/77/11/82/663771182.db2.gz SCZJEMYKHCJDRO-CQSZACIVSA-N 0 1 391.297 2.956 20 0 GFADMN Cc1cc(NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n(-c2ccncc2)n1 ZINC000903095765 663773349 /nfs/dbraw/zinc/77/33/49/663773349.db2.gz YGXYZIBSMIOSGK-CYBMUJFWSA-N 0 1 375.281 2.901 20 0 GFADMN O=S(=O)(NCCN[C@H](c1ccccn1)C1CC1)c1ccc(F)cc1Cl ZINC000903164905 663776621 /nfs/dbraw/zinc/77/66/21/663776621.db2.gz JPEXPTIUYBCDQR-KRWDZBQOSA-N 0 1 383.876 2.893 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(N3CCC3)CC2)c1 ZINC000903203784 663778471 /nfs/dbraw/zinc/77/84/71/663778471.db2.gz FIRRMNVVCLRFNC-UHFFFAOYSA-N 0 1 378.416 2.573 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCS(=O)(=O)N=S(C)(C)=O ZINC000903226730 663779271 /nfs/dbraw/zinc/77/92/71/663779271.db2.gz NPYDOJICHSOXJX-MRXNPFEDSA-N 0 1 383.539 2.501 20 0 GFADMN C[C@H](NCC1(O)CCC2(CC1)OCCO2)c1nc(Br)cs1 ZINC000903373426 663783324 /nfs/dbraw/zinc/78/33/24/663783324.db2.gz VUSZTGCOXGNUEW-JTQLQIEISA-N 0 1 377.304 2.604 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(Br)cs1)C[C@@H]2C(=O)[O-] ZINC000903417054 663784280 /nfs/dbraw/zinc/78/42/80/663784280.db2.gz TWUQVAPCDXXOTF-YAKODHLKSA-N 0 1 388.283 2.596 20 0 GFADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCc3ccccc3Br)C2)nn1 ZINC000903604503 663791866 /nfs/dbraw/zinc/79/18/66/663791866.db2.gz XZZLUSCCMSQEJL-CYBMUJFWSA-N 0 1 379.258 2.618 20 0 GFADMN CC1(C)COc2c(S(=O)(=O)Nc3nc(Cl)ccc3Cl)cnn2C1 ZINC000903619614 663792954 /nfs/dbraw/zinc/79/29/54/663792954.db2.gz JHVVXGYEWHLXQR-UHFFFAOYSA-N 0 1 377.253 2.804 20 0 GFADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnc(F)c(Cl)c3)cc2C[C@H]1C ZINC000903672615 663801202 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GFADMN O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000905797372 663892922 /nfs/dbraw/zinc/89/29/22/663892922.db2.gz WRTCZLUUDWBHPD-NSHDSACASA-N 0 1 394.225 2.697 20 0 GFADMN O=C([O-])C1CC[NH+](Cc2cn(Cc3cccc(F)c3Br)nn2)CC1 ZINC000905834418 663895239 /nfs/dbraw/zinc/89/52/39/663895239.db2.gz VNKWNKCFNMFMSK-UHFFFAOYSA-N 0 1 397.248 2.525 20 0 GFADMN NC(=O)[C@H](NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(Br)cc1 ZINC000905850509 663896511 /nfs/dbraw/zinc/89/65/11/663896511.db2.gz IRNMGLZNGYIVCA-SDDRHHMPSA-N 0 1 381.192 2.675 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000906807788 663972834 /nfs/dbraw/zinc/97/28/34/663972834.db2.gz NBLWAZINQHZZNC-LLVKDONJSA-N 0 1 392.880 2.720 20 0 GFADMN CC[N@@H+](CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000906944454 663985005 /nfs/dbraw/zinc/98/50/05/663985005.db2.gz LHOVXJVQXZIPBW-UHFFFAOYSA-N 0 1 383.297 2.700 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccccc2)oc1Cl ZINC000907311976 664022097 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GFADMN Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)no1 ZINC000191090314 552518754 /nfs/dbraw/zinc/51/87/54/552518754.db2.gz WAGHFSHDXZJHPK-UHFFFAOYSA-N 0 1 393.285 2.745 20 0 GFADMN C[C@@H](O)C1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191639829 552533984 /nfs/dbraw/zinc/53/39/84/552533984.db2.gz VSOKIWLPZXIING-CQSZACIVSA-N 0 1 383.330 2.879 20 0 GFADMN Cc1c(Br)cccc1CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000191677866 552534462 /nfs/dbraw/zinc/53/44/62/552534462.db2.gz KZRABVUHQLHDEO-SFHVURJKSA-N 0 1 396.373 2.688 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2cc(Br)c(F)cc2F)C[C@@H](C)O1 ZINC000191896871 552541557 /nfs/dbraw/zinc/54/15/57/552541557.db2.gz PQNUOTITFNKJNX-GHMZBOCLSA-N 0 1 391.256 2.956 20 0 GFADMN O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)Nc1ccc(Br)cn1 ZINC000191932649 552543361 /nfs/dbraw/zinc/54/33/61/552543361.db2.gz UXIDUWBAWDIRQE-PBHICJAKSA-N 0 1 376.254 2.902 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)c3scc(C)c3Br)C2)CC1 ZINC000192041668 552547250 /nfs/dbraw/zinc/54/72/50/552547250.db2.gz 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553013942 /nfs/dbraw/zinc/01/39/42/553013942.db2.gz RYZLUFUDIDDKKO-JOCHJYFZSA-N 0 1 388.287 2.596 20 0 GFADMN [NH3+]C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCC1 ZINC000194776274 553029118 /nfs/dbraw/zinc/02/91/18/553029118.db2.gz ZPBVYVFWTGIOCD-LBPRGKRZSA-N 0 1 383.258 2.523 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3cc(Br)cs3)cn2)CC1 ZINC000195006483 553035794 /nfs/dbraw/zinc/03/57/94/553035794.db2.gz XOYWZUIJYIYOBB-UHFFFAOYSA-N 0 1 381.299 2.910 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)[N-]CC(F)(F)F ZINC000195100994 553038026 /nfs/dbraw/zinc/03/80/26/553038026.db2.gz XOXGZZNKHWJIPD-ZDUSSCGKSA-N 0 1 379.448 2.547 20 0 GFADMN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncccc1Br ZINC000226476863 553061677 /nfs/dbraw/zinc/06/16/77/553061677.db2.gz NGZWOVZEIJDGPQ-UHFFFAOYSA-N 0 1 391.268 2.801 20 0 GFADMN O=C(NCCOc1cccc(Br)c1)[C@@H]1NCCc2ccccc21 ZINC000236573217 553069474 /nfs/dbraw/zinc/06/94/74/553069474.db2.gz ODVCLGUCAZVFRX-QGZVFWFLSA-N 0 1 375.266 2.831 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)[C@H]2COc3ccc(Br)cc32)C[C@H](C)O1 ZINC000245586849 553093717 /nfs/dbraw/zinc/09/37/17/553093717.db2.gz FDDHZOGJIRVWKV-ZENOOKHLSA-N 0 1 397.313 2.541 20 0 GFADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000246540382 553109454 /nfs/dbraw/zinc/10/94/54/553109454.db2.gz JVWIVKLDKIDAMG-CVEARBPZSA-N 0 1 384.929 2.589 20 0 GFADMN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000246540382 553109457 /nfs/dbraw/zinc/10/94/57/553109457.db2.gz JVWIVKLDKIDAMG-CVEARBPZSA-N 0 1 384.929 2.589 20 0 GFADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000247560167 553124152 /nfs/dbraw/zinc/12/41/52/553124152.db2.gz FXFLREBAURKDFV-GRDNDAEWSA-N 0 1 398.345 2.553 20 0 GFADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Br)c2)CCN1C[C@H](C)O ZINC000247560167 553124155 /nfs/dbraw/zinc/12/41/55/553124155.db2.gz FXFLREBAURKDFV-GRDNDAEWSA-N 0 1 398.345 2.553 20 0 GFADMN NC(=O)CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249305431 553141784 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/nfs/dbraw/zinc/34/22/03/563342203.db2.gz DJQMRXRQGUMFEH-UHFFFAOYSA-N 0 1 392.315 2.610 20 0 GFADMN CN(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000369465863 563214812 /nfs/dbraw/zinc/21/48/12/563214812.db2.gz FSOHTINXUFDKHI-SJLPKXTDSA-N 0 1 379.913 2.772 20 0 GFADMN COC(=O)c1nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)sc1C ZINC000369533710 563216609 /nfs/dbraw/zinc/21/66/09/563216609.db2.gz VEEKQMXEASAMND-UHFFFAOYSA-N 0 1 377.432 3.455 20 0 GFADMN Brc1ccc(CNCc2n[nH]c(C3CC3)n2)c(N2CCOCC2)c1 ZINC000294902635 563220817 /nfs/dbraw/zinc/22/08/17/563220817.db2.gz XJSKVFPYECKART-UHFFFAOYSA-N 0 1 392.301 2.571 20 0 GFADMN C[C@H](O)C(=O)OCCCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000295055086 563227413 /nfs/dbraw/zinc/22/74/13/563227413.db2.gz UXBMHOYKFYAODN-VIFPVBQESA-N 0 1 386.271 2.640 20 0 GFADMN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000277830770 563228131 /nfs/dbraw/zinc/22/81/31/563228131.db2.gz WDPCYMIAHHOOMA-JTQLQIEISA-N 0 1 387.914 2.831 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000370022187 563231157 /nfs/dbraw/zinc/23/11/57/563231157.db2.gz YWSXRXNIYFETOL-SECBINFHSA-N 0 1 383.524 2.933 20 0 GFADMN Cc1nccc(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000370028140 563231716 /nfs/dbraw/zinc/23/17/16/563231716.db2.gz CYKUAAIAIWCRNY-CYBMUJFWSA-N 0 1 390.285 2.793 20 0 GFADMN CCc1cnc(CNS(=O)(=O)c2cc(Br)c(F)cc2F)o1 ZINC000277936545 563232906 /nfs/dbraw/zinc/23/29/06/563232906.db2.gz USMKMSUFMRKVNP-UHFFFAOYSA-N 0 1 381.198 2.756 20 0 GFADMN COC(=O)c1cc(NC(=O)CCCCc2cn[nH]n2)cc(Br)c1F ZINC000278029901 563236676 /nfs/dbraw/zinc/23/66/76/563236676.db2.gz WWLHZVUQGNECKZ-UHFFFAOYSA-N 0 1 399.220 2.844 20 0 GFADMN Cc1nocc1CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000295226886 563236887 /nfs/dbraw/zinc/23/68/87/563236887.db2.gz CIDVPQIJQAVZJJ-UHFFFAOYSA-N 0 1 379.258 2.991 20 0 GFADMN C[C@@H]1CN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)[C@@H](C)CN1CCO ZINC000419328344 563237151 /nfs/dbraw/zinc/23/71/51/563237151.db2.gz OOQOFLOGCFLNMA-NEPJUHHUSA-N 0 1 385.295 2.930 20 0 GFADMN Cc1nocc1CN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000295262407 563239052 /nfs/dbraw/zinc/23/90/52/563239052.db2.gz HAFPNLKBFZSLBC-GFCCVEGCSA-N 0 1 379.258 2.991 20 0 GFADMN O=C([C@H](O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000295308251 563241308 /nfs/dbraw/zinc/24/13/08/563241308.db2.gz OQQKPMGEBXCNLG-CXAGYDPISA-N 0 1 387.307 2.598 20 0 GFADMN CCc1nc(CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)n[nH]1 ZINC000295360660 563243824 /nfs/dbraw/zinc/24/38/24/563243824.db2.gz NYDQAQLNPAEHJM-MRXNPFEDSA-N 0 1 392.301 2.583 20 0 GFADMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc(F)c(Br)cc1Cl ZINC000295403845 563246220 /nfs/dbraw/zinc/24/62/20/563246220.db2.gz IVSQJACXQYRREZ-JTQLQIEISA-N 0 1 393.684 2.818 20 0 GFADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@H](CO)[C@@H](C)O ZINC000419795625 563250669 /nfs/dbraw/zinc/25/06/69/563250669.db2.gz KTBBSLTZKIMYOT-MLGOLLRUSA-N 0 1 382.302 2.590 20 0 GFADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401602 563253591 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ZINC000278529531 563260471 /nfs/dbraw/zinc/26/04/71/563260471.db2.gz RNPLBAMRNVZIMI-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN CC(C)(O)CONC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000278638074 563264163 /nfs/dbraw/zinc/26/41/63/563264163.db2.gz NQULRFQHRFHTTJ-UHFFFAOYSA-N 0 1 391.312 2.995 20 0 GFADMN Cn1ccnc1-c1nnc(NC(=O)c2ccc(Br)cc2O)s1 ZINC000371065320 563264498 /nfs/dbraw/zinc/26/44/98/563264498.db2.gz VMFNZHCKMRMQBL-UHFFFAOYSA-N 0 1 380.227 2.659 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 ZINC000295902328 563267568 /nfs/dbraw/zinc/26/75/68/563267568.db2.gz IJUXDUILCOCXOO-UHFFFAOYSA-N 0 1 378.416 2.619 20 0 GFADMN COCC1(O)CCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000371197926 563268273 /nfs/dbraw/zinc/26/82/73/563268273.db2.gz ZCJUPGZAYCKKOE-UHFFFAOYSA-N 0 1 386.945 2.613 20 0 GFADMN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](C)c2cccc(Br)c2)C1 ZINC000278763305 563269900 /nfs/dbraw/zinc/26/99/00/563269900.db2.gz UAWHGLOJDZFWFE-RLFYNMQTSA-N 0 1 386.330 2.898 20 0 GFADMN Cc1nc(CNS(=O)(=O)c2sccc2Br)c2n1CCCC2 ZINC000371303685 563271302 /nfs/dbraw/zinc/27/13/02/563271302.db2.gz FQYFUMCELGXAOA-UHFFFAOYSA-N 0 1 390.328 2.830 20 0 GFADMN Brc1cnn(Cc2cnc(N3CC[C@H](N4CC=CC4)C3)s2)c1 ZINC000278856967 563273869 /nfs/dbraw/zinc/27/38/69/563273869.db2.gz XVOPGBGLQVTECS-ZDUSSCGKSA-N 0 1 380.315 2.601 20 0 GFADMN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420704066 563276707 /nfs/dbraw/zinc/27/67/07/563276707.db2.gz HOTQOCSOEGLVED-DGCLKSJQSA-N 0 1 378.416 2.674 20 0 GFADMN CN1C(=O)CC[C@@H](NS(=O)(=O)c2c(F)cccc2F)[C@@H]1c1cccs1 ZINC000371405688 563276844 /nfs/dbraw/zinc/27/68/44/563276844.db2.gz GHPSHRTXEKPTCN-IUODEOHRSA-N 0 1 386.445 2.667 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1c(F)cccc1Br ZINC000278959224 563277728 /nfs/dbraw/zinc/27/77/28/563277728.db2.gz ZWUMQYMFJGLGMF-LBPRGKRZSA-N 0 1 385.277 2.914 20 0 GFADMN O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296346604 563283592 /nfs/dbraw/zinc/28/35/92/563283592.db2.gz VVJFZTOJIFYYOV-LBPRGKRZSA-N 0 1 389.250 2.622 20 0 GFADMN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000371919002 563291113 /nfs/dbraw/zinc/29/11/13/563291113.db2.gz QSBGQMNYESNERR-NSHDSACASA-N 0 1 379.258 2.741 20 0 GFADMN O=C(Cc1cc(Br)ccc1F)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000372111684 563296358 /nfs/dbraw/zinc/29/63/58/563296358.db2.gz WGRRPWNDGJDRSR-CXAGYDPISA-N 0 1 399.304 2.748 20 0 GFADMN Cn1nccc1[C@H]1[C@H](NCc2cccc(Br)c2F)CCC(=O)N1C ZINC000296700629 563297815 /nfs/dbraw/zinc/29/78/15/563297815.db2.gz IESYLYCBSVLYRT-CXAGYDPISA-N 0 1 395.276 2.773 20 0 GFADMN CC(C)OC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000372178536 563297985 /nfs/dbraw/zinc/29/79/85/563297985.db2.gz KOLBOAYWXZXMLO-LBPRGKRZSA-N 0 1 382.258 2.591 20 0 GFADMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)Cn3cc(Br)cn3)n2)c1 ZINC000279617688 563303277 /nfs/dbraw/zinc/30/32/77/563303277.db2.gz YAJSVJZRAYWSMW-RYUDHWBXSA-N 0 1 390.289 2.873 20 0 GFADMN COc1ccccc1-c1nnc(NC(=O)CCSc2nnc(C)[nH]2)s1 ZINC000296921416 563308416 /nfs/dbraw/zinc/30/84/16/563308416.db2.gz MZKQUIGRSDBNII-UHFFFAOYSA-N 0 1 376.467 2.761 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000279874264 563313841 /nfs/dbraw/zinc/31/38/41/563313841.db2.gz DWGPLQQZUICFOE-CYBMUJFWSA-N 0 1 380.432 2.590 20 0 GFADMN Cc1ncc(CN2CC[C@H](NC(=O)c3cn4ccnc4s3)[C@@H](C)C2)s1 ZINC000372700823 563314552 /nfs/dbraw/zinc/31/45/52/563314552.db2.gz FZDDJYGSAOFANQ-FZMZJTMJSA-N 0 1 375.523 2.801 20 0 GFADMN Cc1ncc(CN2CC[C@H](NC(=O)c3cn4ccnc4s3)[C@H](C)C2)s1 ZINC000372700827 563314680 /nfs/dbraw/zinc/31/46/80/563314680.db2.gz FZDDJYGSAOFANQ-RISCZKNCSA-N 0 1 375.523 2.801 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@](C)(O)CC1 ZINC000279926300 563315160 /nfs/dbraw/zinc/31/51/60/563315160.db2.gz FRBCLMNAOXCPEF-HNNXBMFYSA-N 0 1 375.332 2.706 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000372733319 563315351 /nfs/dbraw/zinc/31/53/51/563315351.db2.gz WTNJONXTHRQHPC-AWEZNQCLSA-N 0 1 383.330 2.642 20 0 GFADMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000297141937 563317347 /nfs/dbraw/zinc/31/73/47/563317347.db2.gz COSKQFFYDIFZSQ-IINYFYTJSA-N 0 1 384.267 2.826 20 0 GFADMN COCCOC[C@H](O)CN1CCC[C@H]1c1cc(Br)ccc1OC ZINC000297149601 563317418 /nfs/dbraw/zinc/31/74/18/563317418.db2.gz OGAGYFIIPHWXJX-ZBFHGGJFSA-N 0 1 388.302 2.619 20 0 GFADMN C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[S@]1=O ZINC000297232890 563320928 /nfs/dbraw/zinc/32/09/28/563320928.db2.gz NIHJMAPQXZNKJU-WHEFHEQHSA-N 0 1 383.583 2.513 20 0 GFADMN Cn1nc(Br)cc1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000372988733 563325148 /nfs/dbraw/zinc/32/51/48/563325148.db2.gz DGIKUGYNQJFXEZ-UHFFFAOYSA-N 0 1 383.315 2.639 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC2(CCN(C)C2=O)CC1 ZINC000373148538 563329771 /nfs/dbraw/zinc/32/97/71/563329771.db2.gz XGIUYZLHVHFECI-ZDUSSCGKSA-N 0 1 394.313 2.720 20 0 GFADMN Cc1cccc(CC2(O)CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000280288334 563330722 /nfs/dbraw/zinc/33/07/22/563330722.db2.gz 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Cc1sc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1Br ZINC000424659788 563386460 /nfs/dbraw/zinc/38/64/60/563386460.db2.gz SPJJVPAJDPNUKY-CQSZACIVSA-N 0 1 388.375 2.821 20 0 GFADMN Cn1ccc(N2CC[C@H](NC(=O)c3cn[nH]c3-c3ccc(Cl)s3)C2)n1 ZINC000375299792 563399246 /nfs/dbraw/zinc/39/92/46/563399246.db2.gz NLFQFZCMAKBOPR-JTQLQIEISA-N 0 1 376.873 2.534 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000424989498 563399901 /nfs/dbraw/zinc/39/99/01/563399901.db2.gz ILOJJVJBCZAPSG-UHFFFAOYSA-N 0 1 383.330 2.951 20 0 GFADMN CC(C)(C)N1CCc2nc(NC(=O)CNC(=O)c3cccs3)sc2C1 ZINC000425076744 563403964 /nfs/dbraw/zinc/40/39/64/563403964.db2.gz GKYUNYLHKWWERW-UHFFFAOYSA-N 0 1 378.523 2.730 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)C2(c3cncc(Br)c3)CC2)n[nH]1 ZINC000282262219 563404255 /nfs/dbraw/zinc/40/42/55/563404255.db2.gz JCKGBEQCIBWIQC-SNVBAGLBSA-N 0 1 378.274 2.995 20 0 GFADMN CS(=O)(=O)c1ccc(-c2nc(CN[C@H]3CCO[C@@H]3C3CC3)cs2)cc1 ZINC000375425386 563405216 /nfs/dbraw/zinc/40/52/16/563405216.db2.gz 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Cc1[nH]ncc1CNC(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000425990434 563441439 /nfs/dbraw/zinc/44/14/39/563441439.db2.gz ZNFIXCKIIIOVKW-UHFFFAOYSA-N 0 1 387.237 2.889 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000321601845 563448869 /nfs/dbraw/zinc/44/88/69/563448869.db2.gz KPJCDFAIEZWIBK-CQSZACIVSA-N 0 1 383.286 2.737 20 0 GFADMN Cc1cnc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c(O)c1 ZINC000426592675 563453574 /nfs/dbraw/zinc/45/35/74/563453574.db2.gz FWPFDQBDQKOMEL-UHFFFAOYSA-N 0 1 392.253 2.947 20 0 GFADMN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN1C1CC1 ZINC000426762976 563455153 /nfs/dbraw/zinc/45/51/53/563455153.db2.gz PAENKKXVPCIMMZ-ZDUSSCGKSA-N 0 1 377.794 2.876 20 0 GFADMN CCOC(=O)C1(NC(=O)c2cc(C)c(Br)cc2C)CCN(C)CC1 ZINC000376870319 563456650 /nfs/dbraw/zinc/45/66/50/563456650.db2.gz OCMVSHSDELGANO-UHFFFAOYSA-N 0 1 397.313 2.823 20 0 GFADMN O=S(=O)(C1CCN(Cc2c[nH]nc2-c2cccs2)CC1)N1CCCC1 ZINC000328646660 563462231 /nfs/dbraw/zinc/46/22/31/563462231.db2.gz 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20 0 GFADMN CC1(C)CC[C@H](CNC(=O)c2n[nH]c3ccc(I)cc32)O1 ZINC000428889719 563504133 /nfs/dbraw/zinc/50/41/33/563504133.db2.gz RPGKGZHKLYFQIL-SNVBAGLBSA-N 0 1 399.232 2.855 20 0 GFADMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc(O)ccc2Br)cn1 ZINC000378382543 563505267 /nfs/dbraw/zinc/50/52/67/563505267.db2.gz ZHURHUITWUEPAX-RHSMWYFYSA-N 0 1 380.286 2.976 20 0 GFADMN Cc1ccc(NC(=O)CCN[C@@H](CO)c2ccc(Br)c(F)c2)nc1 ZINC000429021835 563507765 /nfs/dbraw/zinc/50/77/65/563507765.db2.gz QTTKOWRSNGDSIU-HNNXBMFYSA-N 0 1 396.260 2.943 20 0 GFADMN Cc1cc(NC(=O)N2CCOC[C@@H]2c2nnc[nH]2)cc(C)c1Br ZINC000285266636 563511751 /nfs/dbraw/zinc/51/17/51/563511751.db2.gz PNDRFMQELZPRFP-GFCCVEGCSA-N 0 1 380.246 2.789 20 0 GFADMN COc1ccc(C(=O)N2CCC(C3N=NC(=S)O3)CC2)nc1Br ZINC000378619465 563512886 /nfs/dbraw/zinc/51/28/86/563512886.db2.gz VOHPGCBLMYGDME-UHFFFAOYSA-N 0 1 399.270 2.544 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1OC ZINC000285389078 563518158 /nfs/dbraw/zinc/51/81/58/563518158.db2.gz SGIMVYSWTSCQIG-OLZOCXBDSA-N 0 1 388.917 2.605 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000390433398 563522919 /nfs/dbraw/zinc/52/29/19/563522919.db2.gz VDACNMVBSUTEHN-ZDUSSCGKSA-N 0 1 383.286 2.594 20 0 GFADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1ccccc1Br ZINC000397065421 563531998 /nfs/dbraw/zinc/53/19/98/563531998.db2.gz HXIVAXBOSNOMEK-GXTWGEPZSA-N 0 1 383.286 2.593 20 0 GFADMN CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1Cl)N1CCN(C)CC1 ZINC000331205113 563540100 /nfs/dbraw/zinc/54/01/00/563540100.db2.gz XPFHAJZMNFLAHU-HNNXBMFYSA-N 0 1 394.368 2.544 20 0 GFADMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1Br ZINC000331207396 563540578 /nfs/dbraw/zinc/54/05/78/563540578.db2.gz YUHMVIJKZICYIF-ZIAGYGMSSA-N 0 1 379.295 2.538 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@@H](C)C1 ZINC000408049335 563542482 /nfs/dbraw/zinc/54/24/82/563542482.db2.gz YDJJSHROWKXHQA-QWHCGFSZSA-N 0 1 396.329 2.857 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 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O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408462022 563557135 /nfs/dbraw/zinc/55/71/35/563557135.db2.gz XRQQPONNGYYOMY-WFASDCNBSA-N 0 1 379.400 2.727 20 0 GFADMN Cc1cc(I)ccc1NC(=O)NCCN1CC=CCC1 ZINC000431429505 563560356 /nfs/dbraw/zinc/56/03/56/563560356.db2.gz ZCCSNPCCMFAJFQ-UHFFFAOYSA-N 0 1 385.249 2.983 20 0 GFADMN COC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000286486281 563562295 /nfs/dbraw/zinc/56/22/95/563562295.db2.gz LPBKGWFZZGTVAX-IUODEOHRSA-N 0 1 381.778 2.507 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC[C@@](F)(CO)C1 ZINC000286597028 563566561 /nfs/dbraw/zinc/56/65/61/563566561.db2.gz AWOTTWFSTDNHCN-INIZCTEOSA-N 0 1 382.233 2.776 20 0 GFADMN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286591556 563566789 /nfs/dbraw/zinc/56/67/89/563566789.db2.gz ARMZFYFGVNEEEU-CYBMUJFWSA-N 0 1 378.853 2.718 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(Br)c1 ZINC000431717632 563567318 /nfs/dbraw/zinc/56/73/18/563567318.db2.gz 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20 0 GFADMN [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)C1 ZINC000333336287 563628872 /nfs/dbraw/zinc/62/88/72/563628872.db2.gz XDQJFSLUNVLQMX-XJKSGUPXSA-N 0 1 383.286 2.513 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)NCc2cc3cc(Br)ccc3[nH]2)n[nH]1 ZINC000288166406 563632112 /nfs/dbraw/zinc/63/21/12/563632112.db2.gz MJUYVMCBOPGVOP-MRVPVSSYSA-N 0 1 377.246 2.917 20 0 GFADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1cc(F)ccc1Br ZINC000434557979 563632130 /nfs/dbraw/zinc/63/21/30/563632130.db2.gz TVUOXICEBXVUSD-ZDUSSCGKSA-N 0 1 398.276 2.660 20 0 GFADMN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(Br)cc1OCCCO ZINC000411747227 563632955 /nfs/dbraw/zinc/63/29/55/563632955.db2.gz VPUBVUSBHUQWHJ-WFASDCNBSA-N 0 1 385.302 2.530 20 0 GFADMN O=C(c1ccc(Br)s1)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333551946 563635131 /nfs/dbraw/zinc/63/51/31/563635131.db2.gz JOURFMVLDTVINU-UHFFFAOYSA-N 0 1 381.299 2.788 20 0 GFADMN OC[C@@H](NCc1ncc(-c2ccccc2Br)o1)[C@@H]1CCCOC1 ZINC000412000818 563643871 /nfs/dbraw/zinc/64/38/71/563643871.db2.gz ZLOIRNJVWNSXRI-IUODEOHRSA-N 0 1 381.270 2.981 20 0 GFADMN Cc1c(S(=O)(=O)N2CCC[C@H]2CN(C)C)cnn1-c1ccc(Cl)cc1 ZINC000435228286 563646255 /nfs/dbraw/zinc/64/62/55/563646255.db2.gz YOWVKCUZANJZLC-INIZCTEOSA-N 0 1 382.917 2.549 20 0 GFADMN COC(=O)[C@@]1(C)CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000412099926 563648796 /nfs/dbraw/zinc/64/87/96/563648796.db2.gz HYNUHMWQOYSBIL-SFHVURJKSA-N 0 1 397.313 2.683 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)N[C@@H]2CCOc3c(Br)cccc32)n[nH]1 ZINC000288592510 563648926 /nfs/dbraw/zinc/64/89/26/563648926.db2.gz OOEFWPSWCLPXGR-PRHODGIISA-N 0 1 380.246 2.760 20 0 GFADMN CCC[C@@]1(CO)CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000288669500 563652605 /nfs/dbraw/zinc/65/26/05/563652605.db2.gz CCGVOOCGKHEDBL-MRXNPFEDSA-N 0 1 389.359 2.954 20 0 GFADMN CC(C)N1CCO[C@H](C(=O)NCc2cccc(Br)c2Cl)C1 ZINC000412489203 563659494 /nfs/dbraw/zinc/65/94/94/563659494.db2.gz MXBNQMWXXSUYLW-ZDUSSCGKSA-N 0 1 375.694 2.828 20 0 GFADMN Cn1cc(-c2[nH]ncc2C(=O)NCc2cc(F)cc(Br)c2)cn1 ZINC000436080514 563663649 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C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)nc1 ZINC000289570604 563679204 /nfs/dbraw/zinc/67/92/04/563679204.db2.gz DIKAIVFEKLRTFV-ZDUSSCGKSA-N 0 1 377.286 2.927 20 0 GFADMN Cc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)ccc1Cl ZINC000436797100 563680023 /nfs/dbraw/zinc/68/00/23/563680023.db2.gz MFVQATNRRMNCHM-UHFFFAOYSA-N 0 1 382.869 2.534 20 0 GFADMN COc1ncc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cc1Br ZINC000351281341 563684630 /nfs/dbraw/zinc/68/46/30/563684630.db2.gz AFJRLDQGVKRRLI-BLLLJJGKSA-N 0 1 395.257 2.829 20 0 GFADMN Cc1c(Br)cccc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000360535090 563692948 /nfs/dbraw/zinc/69/29/48/563692948.db2.gz AAYNMVORHJFWHF-HOTGVXAUSA-N 0 1 382.302 2.820 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)ccc1OC ZINC000437308069 563693252 /nfs/dbraw/zinc/69/32/52/563693252.db2.gz LEPIXSLFWWUBRN-UHFFFAOYSA-N 0 1 391.232 2.984 20 0 GFADMN Cc1cc(Br)cn2cc(CCNCc3cn(C(C)C)nn3)nc12 ZINC000290030222 563695463 /nfs/dbraw/zinc/69/54/63/563695463.db2.gz DVWLGVSNRZFJQF-UHFFFAOYSA-N 0 1 377.290 2.910 20 0 GFADMN C[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nc(-c2cccc(F)c2)no1 ZINC000361375384 563699167 /nfs/dbraw/zinc/69/91/67/563699167.db2.gz BYEOKDQGJUIEDY-ZETCQYMHSA-N 0 1 397.482 2.985 20 0 GFADMN O=C(COc1ccc(Br)cc1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000361461710 563700126 /nfs/dbraw/zinc/70/01/26/563700126.db2.gz HSLSLHVATCWCIS-UHFFFAOYSA-N 0 1 397.313 2.541 20 0 GFADMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000438765212 563710502 /nfs/dbraw/zinc/71/05/02/563710502.db2.gz IGOHVIKWCDLZHD-UHFFFAOYSA-N 0 1 378.797 2.760 20 0 GFADMN COc1cc(Br)c(CN2CC[C@H](C(=O)N3CCCC3)C2)c(OC)c1 ZINC000290461508 563710636 /nfs/dbraw/zinc/71/06/36/563710636.db2.gz NBJHRWUCEMGHDS-ZDUSSCGKSA-N 0 1 397.313 2.911 20 0 GFADMN C[C@@H](Cn1cc(Br)ccc1=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000414082205 563718032 /nfs/dbraw/zinc/71/80/32/563718032.db2.gz VCHGCHJIEZPEHK-NSHDSACASA-N 0 1 398.688 2.881 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C)CC[C@@H]1C ZINC000439342226 563722717 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COc1cc(C)cc(CNCc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414358183 563729039 /nfs/dbraw/zinc/72/90/39/563729039.db2.gz FZSRTGBAEHQTLF-UHFFFAOYSA-N 0 1 399.310 2.703 20 0 GFADMN Cn1ccc(N2CCC[C@@H](NCc3cc(F)cc(Br)c3)C2=O)n1 ZINC000439568951 563729193 /nfs/dbraw/zinc/72/91/93/563729193.db2.gz ZTFBJPVBEVVKOZ-CQSZACIVSA-N 0 1 381.249 2.607 20 0 GFADMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(SC)c2)cn1C ZINC000414388842 563732854 /nfs/dbraw/zinc/73/28/54/563732854.db2.gz NLJIDDADZOKSSO-UHFFFAOYSA-N 0 1 384.479 2.733 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)s1 ZINC000440079493 563735594 /nfs/dbraw/zinc/73/55/94/563735594.db2.gz YKCJEDZJRRVEEO-MLGOLLRUSA-N 0 1 382.507 2.504 20 0 GFADMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1Br ZINC000440084574 563736387 /nfs/dbraw/zinc/73/63/87/563736387.db2.gz WRUZLBMAWFFEMZ-RYUDHWBXSA-N 0 1 393.322 2.987 20 0 GFADMN CN1C[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@H](c2ccccc2)C1 ZINC000414457855 563740132 /nfs/dbraw/zinc/74/01/32/563740132.db2.gz 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C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183530 564240757 /nfs/dbraw/zinc/24/07/57/564240757.db2.gz ZXEHNOOOZKSKCJ-OCCSQVGLSA-N 0 1 378.897 2.618 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)sc1Br ZINC000564701085 564245083 /nfs/dbraw/zinc/24/50/83/564245083.db2.gz LKYYSIOHJROFFC-ZWNOBZJWSA-N 0 1 395.344 2.698 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1C(=O)N(C)C ZINC000507884592 564246440 /nfs/dbraw/zinc/24/64/40/564246440.db2.gz AFOFUYTXPZVOAH-UHFFFAOYSA-N 0 1 398.282 2.655 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCS[C@H](C)CC1)c1ccsc1 ZINC000564740748 564247120 /nfs/dbraw/zinc/24/71/20/564247120.db2.gz FWTMJTBBPFXKIJ-ZBFHGGJFSA-N 0 1 383.583 2.601 20 0 GFADMN CC(C)(C(=O)NCCc1ccc(I)s1)c1cnc[nH]1 ZINC000540546246 564251367 /nfs/dbraw/zinc/25/13/67/564251367.db2.gz BBXWZKHGCNZYES-UHFFFAOYSA-N 0 1 389.262 2.712 20 0 GFADMN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C1CCCCC1 ZINC000473914021 564256550 /nfs/dbraw/zinc/25/65/50/564256550.db2.gz WDBRCSPXAIHOSB-GFCCVEGCSA-N 0 1 379.320 2.831 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000565189680 564269899 /nfs/dbraw/zinc/26/98/99/564269899.db2.gz IQSHJHMPFXZEDK-LLVKDONJSA-N 0 1 384.249 2.511 20 0 GFADMN C[C@@H](CNC(=O)c1conc1C(C)(C)N)Oc1ccccc1Br ZINC000565216430 564271034 /nfs/dbraw/zinc/27/10/34/564271034.db2.gz OIFLMTVWOVMGAP-JTQLQIEISA-N 0 1 382.258 2.828 20 0 GFADMN CN(C)CCN(Cc1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451092939 564272786 /nfs/dbraw/zinc/27/27/86/564272786.db2.gz ZDVPSHHRCSLLMF-OAHLLOKOSA-N 0 1 378.460 2.955 20 0 GFADMN Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC000508782020 564273440 /nfs/dbraw/zinc/27/34/40/564273440.db2.gz IQCCVUVBUSSZPT-OAHLLOKOSA-N 0 1 376.302 2.919 20 0 GFADMN CC(C)N1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000508974024 564278177 /nfs/dbraw/zinc/27/81/77/564278177.db2.gz ZWNHIZGOTVXOJM-UHFFFAOYSA-N 0 1 394.317 2.687 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H]1CCc2c1cccc2Br ZINC000565389754 564279227 /nfs/dbraw/zinc/27/92/27/564279227.db2.gz ANLFAXXZUVDUMC-OAHLLOKOSA-N 0 1 375.332 2.698 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@@H](C)O1 ZINC000509053354 564280242 /nfs/dbraw/zinc/28/02/42/564280242.db2.gz SWGIJTDUCOXCFO-VXGBXAGGSA-N 0 1 385.295 2.870 20 0 GFADMN CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 ZINC000509083057 564281856 /nfs/dbraw/zinc/28/18/56/564281856.db2.gz QZTHCQNCHOWQQI-OAHLLOKOSA-N 0 1 380.491 2.810 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000565490108 564283687 /nfs/dbraw/zinc/28/36/87/564283687.db2.gz GTYVBCSUFPQDBJ-CYBMUJFWSA-N 0 1 388.917 2.525 20 0 GFADMN CCNC(=O)CC(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC000509156085 564284311 /nfs/dbraw/zinc/28/43/11/564284311.db2.gz RPNDTXXIKPYTND-UHFFFAOYSA-N 0 1 379.258 2.866 20 0 GFADMN CN(C)S(=O)(=O)CCN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000509182791 564285167 /nfs/dbraw/zinc/28/51/67/564285167.db2.gz VATDUISBGOTBGE-OAHLLOKOSA-N 0 1 393.322 2.910 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214817 564287572 /nfs/dbraw/zinc/28/75/72/564287572.db2.gz YJWKWWJOWJOQOI-CYBMUJFWSA-N 0 1 385.961 2.974 20 0 GFADMN O=C(CNC(=O)c1cccc(O)c1)Nc1cc(Cl)cc(Br)c1O ZINC000474731175 564287660 /nfs/dbraw/zinc/28/76/60/564287660.db2.gz RFZAUMSUMUAIRX-UHFFFAOYSA-N 0 1 399.628 2.882 20 0 GFADMN COC1CCN(C(C)(C)CNCc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000541793693 564288927 /nfs/dbraw/zinc/28/89/27/564288927.db2.gz HQBGZLQWRNZIJO-UHFFFAOYSA-N 0 1 388.961 2.723 20 0 GFADMN CSC[C@H](CCO)NCc1c(F)ccc(I)c1F ZINC000474794807 564289307 /nfs/dbraw/zinc/28/93/07/564289307.db2.gz LPZRQZNEIHIJGP-QMMMGPOBSA-N 0 1 387.233 2.773 20 0 GFADMN NC(=O)c1ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000541846130 564291519 /nfs/dbraw/zinc/29/15/19/564291519.db2.gz ZXNBKIDHXSDNBL-INIZCTEOSA-N 0 1 378.259 2.987 20 0 GFADMN COc1cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000451297383 564297691 /nfs/dbraw/zinc/29/76/91/564297691.db2.gz NXMXUNDVHYTNOH-CMPLNLGQSA-N 0 1 378.416 2.618 20 0 GFADMN O=[S@](CCN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1cc(Cl)ccc1Cl ZINC000451297607 564297868 /nfs/dbraw/zinc/29/78/68/564297868.db2.gz HIQUFTJYPYJPBB-GOOTWGCPSA-N 0 1 392.348 2.963 20 0 GFADMN O=C(NCCN1CC=CCC1)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000565870602 564299655 /nfs/dbraw/zinc/29/96/55/564299655.db2.gz YMHRTKCHRJSSBE-UHFFFAOYSA-N 0 1 381.267 2.958 20 0 GFADMN O=S(=O)(N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1c[nH]cn1 ZINC000542055142 564300293 /nfs/dbraw/zinc/30/02/93/564300293.db2.gz HFNMZHXBXDDXFJ-SNVBAGLBSA-N 0 1 389.277 2.890 20 0 GFADMN COC(=O)C1(N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCCC1 ZINC000451332146 564300937 /nfs/dbraw/zinc/30/09/37/564300937.db2.gz VHJNQIOMRFIBAR-UHFFFAOYSA-N 0 1 381.372 2.517 20 0 GFADMN COc1cncc(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000542314627 564309365 /nfs/dbraw/zinc/30/93/65/564309365.db2.gz SSTQUYCLVNACHN-SUMWQHHRSA-N 0 1 381.523 2.513 20 0 GFADMN O=S(=O)(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000509789040 564313638 /nfs/dbraw/zinc/31/36/38/564313638.db2.gz SZOYHFHTJOUSDH-OAHLLOKOSA-N 0 1 380.832 2.860 20 0 GFADMN O=S(=O)(N[C@@H]1CCC[C@H]1OC(F)F)c1cc(C(F)(F)F)ccc1O ZINC000451510531 564320495 /nfs/dbraw/zinc/32/04/95/564320495.db2.gz OQVAJSYAGZWNEJ-PSASIEDQSA-N 0 1 375.315 2.850 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)c2cccc(I)c2C)n1 ZINC000509988054 564321184 /nfs/dbraw/zinc/32/11/84/564321184.db2.gz VFLLMOJKHIIJAE-UHFFFAOYSA-N 0 1 399.188 2.752 20 0 GFADMN Cc1oc2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)nc3)cc2c1C ZINC000475816341 564322282 /nfs/dbraw/zinc/32/22/82/564322282.db2.gz UIRPMXCYOOWWIN-UHFFFAOYSA-N 0 1 380.447 2.649 20 0 GFADMN O=S1(=O)CCC(O)(CN2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000451523873 564322458 /nfs/dbraw/zinc/32/24/58/564322458.db2.gz AYDFQUJJBVTMTA-UHFFFAOYSA-N 0 1 389.920 2.626 20 0 GFADMN COc1ccc(CNC(=O)CN[C@@H](C)c2cncc(Br)c2)cc1 ZINC000566500740 564329380 /nfs/dbraw/zinc/32/93/80/564329380.db2.gz QLMGCAFFXYHYIR-LBPRGKRZSA-N 0 1 378.270 2.820 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CN2CCC(C)CC2)cc1Cl ZINC000566494726 564330000 /nfs/dbraw/zinc/33/00/00/564330000.db2.gz TUZDJTOVMYCTHK-ZDUSSCGKSA-N 0 1 387.933 2.697 20 0 GFADMN Cc1c(Br)ccnc1NC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000566569665 564332684 /nfs/dbraw/zinc/33/26/84/564332684.db2.gz AIDVFOLZWQEXGF-CQSZACIVSA-N 0 1 397.317 2.871 20 0 GFADMN C[C@@H]1CN(Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H](C)N1CCO ZINC000451653815 564336260 /nfs/dbraw/zinc/33/62/60/564336260.db2.gz NJHMKSNGDVKWJA-OKILXGFUSA-N 0 1 394.313 2.991 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(F)ccc1Br ZINC000510522141 564336771 /nfs/dbraw/zinc/33/67/71/564336771.db2.gz GTXPXXOSTULPOK-AAEUAGOBSA-N 0 1 391.306 2.836 20 0 GFADMN CC(C)(NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543502064 564352545 /nfs/dbraw/zinc/35/25/45/564352545.db2.gz ICGJMHKEGPQRSB-OAHLLOKOSA-N 0 1 384.567 2.531 20 0 GFADMN CN1CC[C@H]2OCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000451802798 564352971 /nfs/dbraw/zinc/35/29/71/564352971.db2.gz PEFQETWHMDELBV-CHWSQXEVSA-N 0 1 391.668 2.787 20 0 GFADMN CN1C(=O)CN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@@H]1c1ccccc1 ZINC000476939502 564360157 /nfs/dbraw/zinc/36/01/57/564360157.db2.gz KAVUJAMADWCVCO-QGZVFWFLSA-N 0 1 399.248 2.938 20 0 GFADMN CN1CC[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Br)C[C@@H]21 ZINC000451875477 564361321 /nfs/dbraw/zinc/36/13/21/564361321.db2.gz CAWLNKPPVAATGK-YGRLFVJLSA-N 0 1 393.734 2.568 20 0 GFADMN O[C@H]([C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1)C(F)(F)F ZINC000451918769 564366310 /nfs/dbraw/zinc/36/63/10/564366310.db2.gz YXBOKROFWNEWOH-PKFCDNJMSA-N 0 1 388.213 2.978 20 0 GFADMN CCN1CCN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@H](C)C1 ZINC000451916515 564366355 /nfs/dbraw/zinc/36/63/55/564366355.db2.gz LEDPBTISVZZKEK-CYBMUJFWSA-N 0 1 377.286 2.801 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1N1CCCC1 ZINC000477143113 564367181 /nfs/dbraw/zinc/36/71/81/564367181.db2.gz JAJZOPLFSLLCPA-KBPBESRZSA-N 0 1 394.484 2.906 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000511342805 564368138 /nfs/dbraw/zinc/36/81/38/564368138.db2.gz LOSLKXILWFAHQD-UHFFFAOYSA-N 0 1 388.917 2.623 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(OC)ccc2Br)C1 ZINC000511477078 564373628 /nfs/dbraw/zinc/37/36/28/564373628.db2.gz JUXOHXSFZCUVEW-KGLIPLIRSA-N 0 1 399.329 2.821 20 0 GFADMN Cn1c(=O)oc2cc(CN[C@H](CO)c3cccc(Br)c3)ccc21 ZINC000511589047 564376814 /nfs/dbraw/zinc/37/68/14/564376814.db2.gz UUOGKWYQHFNKAI-CQSZACIVSA-N 0 1 377.238 2.717 20 0 GFADMN CC(C)CN1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC000477452372 564377838 /nfs/dbraw/zinc/37/78/38/564377838.db2.gz ZBDKNTYJBCAAAF-UHFFFAOYSA-N 0 1 390.240 2.844 20 0 GFADMN CN(CCCS(=O)(=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000452032723 564384482 /nfs/dbraw/zinc/38/44/82/564384482.db2.gz AYSONKFQPUDWSL-UHFFFAOYSA-N 0 1 378.460 2.809 20 0 GFADMN O=S(=O)(CCC(F)(F)F)NCc1nc2cccc(Br)c2[nH]1 ZINC000452083739 564389322 /nfs/dbraw/zinc/38/93/22/564389322.db2.gz LVAZKYNHBMFIBS-UHFFFAOYSA-N 0 1 386.193 2.697 20 0 GFADMN COc1cccc(OC)c1CNC[C@@H](O)COc1ccccc1Br ZINC000512051461 564390754 /nfs/dbraw/zinc/39/07/54/564390754.db2.gz HYCUIWUCPUXIKN-CYBMUJFWSA-N 0 1 396.281 2.996 20 0 GFADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000452098236 564392028 /nfs/dbraw/zinc/39/20/28/564392028.db2.gz AMYWTKDYCAQEQL-NSHDSACASA-N 0 1 379.295 2.691 20 0 GFADMN C[C@@H]1CN(C(=O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000512185548 564395055 /nfs/dbraw/zinc/39/50/55/564395055.db2.gz JYZRVKKJTGRFMH-HSMVNMDESA-N 0 1 375.296 2.642 20 0 GFADMN C[C@H](Sc1ccccc1C(=O)NC[C@H](c1cccs1)N(C)C)C(N)=O ZINC000512314555 564397937 /nfs/dbraw/zinc/39/79/37/564397937.db2.gz HLWSHLPQIHCQGQ-GXTWGEPZSA-N 0 1 377.535 2.747 20 0 GFADMN C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000544780790 564399625 /nfs/dbraw/zinc/39/96/25/564399625.db2.gz QWGMDLMHBBJPCU-NSHDSACASA-N 0 1 377.491 2.844 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000568066324 564403626 /nfs/dbraw/zinc/40/36/26/564403626.db2.gz XFSUZRWGBRPVOX-SDNTUTLCSA-N 0 1 398.297 2.907 20 0 GFADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCOc3cc(Cl)ccc3Cl)C2)nn1 ZINC000568072979 564403764 /nfs/dbraw/zinc/40/37/64/564403764.db2.gz QVJDHQCIOLMZPN-GFCCVEGCSA-N 0 1 385.251 2.999 20 0 GFADMN COc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(Br)c1O ZINC000544928319 564404052 /nfs/dbraw/zinc/40/40/52/564404052.db2.gz XKKXUMPHSPWSGC-QWHCGFSZSA-N 0 1 383.286 2.654 20 0 GFADMN CN(CC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000478495189 564405171 /nfs/dbraw/zinc/40/51/71/564405171.db2.gz WSUSIARBJNOFSK-SMDDNHRTSA-N 0 1 396.862 2.946 20 0 GFADMN CCc1cccnc1-c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000544957600 564406127 /nfs/dbraw/zinc/40/61/27/564406127.db2.gz GBOKROIWBFPLLU-UHFFFAOYSA-N 0 1 384.870 2.887 20 0 GFADMN CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(F)cc2Cl)c1 ZINC000512613441 564406785 /nfs/dbraw/zinc/40/67/85/564406785.db2.gz LLRIPAKCLKSRPA-UHFFFAOYSA-N 0 1 385.892 2.931 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000568174380 564407164 /nfs/dbraw/zinc/40/71/64/564407164.db2.gz XBJDTMUOGZLIGN-SJCJKPOMSA-N 0 1 390.237 2.801 20 0 GFADMN O=C(c1cccc2c[nH]nc21)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000478564053 564407324 /nfs/dbraw/zinc/40/73/24/564407324.db2.gz UWBLKQJJTHKUOA-MRXNPFEDSA-N 0 1 399.248 2.639 20 0 GFADMN COCCN1CCCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000478561711 564407512 /nfs/dbraw/zinc/40/75/12/564407512.db2.gz NGVSLFJUNRNFSE-UHFFFAOYSA-N 0 1 375.296 2.943 20 0 GFADMN O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H]1CCCN1CCCO ZINC000452356755 564408181 /nfs/dbraw/zinc/40/81/81/564408181.db2.gz DGURCGWMWNRUSB-LLVKDONJSA-N 0 1 393.336 2.981 20 0 GFADMN COC[C@]1(C)CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000452367093 564408731 /nfs/dbraw/zinc/40/87/31/564408731.db2.gz YUSXHEUEHAGYKY-QGZVFWFLSA-N 0 1 379.254 2.789 20 0 GFADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000478604518 564409012 /nfs/dbraw/zinc/40/90/12/564409012.db2.gz 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COCc1ccccc1S(=O)(=O)Nc1ccccc1SCCC(N)=O ZINC000484596234 564591954 /nfs/dbraw/zinc/59/19/54/564591954.db2.gz GHLSUSDJYCDUTH-UHFFFAOYSA-N 0 1 380.491 2.601 20 0 GFADMN CN(CC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCSC1 ZINC000485146380 564608314 /nfs/dbraw/zinc/60/83/14/564608314.db2.gz PZROUNPSIXRSBU-ZBFHGGJFSA-N 0 1 398.370 2.581 20 0 GFADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000520679223 564610437 /nfs/dbraw/zinc/61/04/37/564610437.db2.gz RDTXHTGXZOJOBO-UHFFFAOYSA-N 0 1 379.825 2.594 20 0 GFADMN COc1ccc(S(=O)(=O)N2CC(NCCc3cccc(Cl)c3)C2)cc1 ZINC000485234386 564610706 /nfs/dbraw/zinc/61/07/06/564610706.db2.gz BBLIVIGLRGUFLF-UHFFFAOYSA-N 0 1 380.897 2.554 20 0 GFADMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1)OCC(=O)N2 ZINC000485395499 564613858 /nfs/dbraw/zinc/61/38/58/564613858.db2.gz FYHGCNGUKYECQC-UHFFFAOYSA-N 0 1 382.825 2.789 20 0 GFADMN COc1cc(CN[C@H](CC(N)=O)c2ccccc2)cc(Br)c1O ZINC000550292397 564619246 /nfs/dbraw/zinc/61/92/46/564619246.db2.gz 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ZINC000618538155 565305123 /nfs/dbraw/zinc/30/51/23/565305123.db2.gz ISZUYONDPOYAOX-OAHLLOKOSA-N 0 1 395.341 2.856 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000661140437 565310064 /nfs/dbraw/zinc/31/00/64/565310064.db2.gz IIQDHEJEFJQWPE-ZDUSSCGKSA-N 0 1 382.295 2.565 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618772615 565315577 /nfs/dbraw/zinc/31/55/77/565315577.db2.gz HSBWBPBYYDTUCT-MLGOLLRUSA-N 0 1 378.270 2.951 20 0 GFADMN CN(C)Cc1ccnc(NC(=O)NCCCCn2cc(Br)cn2)c1 ZINC000640568843 565316791 /nfs/dbraw/zinc/31/67/91/565316791.db2.gz FTDHWJNRFPGZAK-UHFFFAOYSA-N 0 1 395.305 2.704 20 0 GFADMN C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1cscn1 ZINC000661419723 565322566 /nfs/dbraw/zinc/32/25/66/565322566.db2.gz PTOUTXDKKLICLA-AWEZNQCLSA-N 0 1 376.551 2.981 20 0 GFADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000593333326 565327562 /nfs/dbraw/zinc/32/75/62/565327562.db2.gz UGBRJNHBVCFNLX-LLVKDONJSA-N 0 1 393.221 2.603 20 0 GFADMN CNC(C)(C)c1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000640793878 565327558 /nfs/dbraw/zinc/32/75/58/565327558.db2.gz FGEVXQRQPLXSRS-UHFFFAOYSA-N 0 1 377.246 2.593 20 0 GFADMN O[C@@H](COCc1ccco1)CN1CCN(c2ccc(Br)cc2)CC1 ZINC000661577026 565329161 /nfs/dbraw/zinc/32/91/61/565329161.db2.gz UMAGGUZEOQFSJT-QGZVFWFLSA-N 0 1 395.297 2.742 20 0 GFADMN CCCN(C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccc(Cl)cc1 ZINC000593404857 565330211 /nfs/dbraw/zinc/33/02/11/565330211.db2.gz WIDRDTMMTFUNML-RRNUEHDVSA-N 0 1 383.945 2.638 20 0 GFADMN CCCCNC(=O)[C@H](C)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000640903938 565336188 /nfs/dbraw/zinc/33/61/88/565336188.db2.gz IXDNGHGTUYMULN-NHYWBVRUSA-N 0 1 380.290 2.566 20 0 GFADMN CCCCCNC(=O)[C@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640905158 565336377 /nfs/dbraw/zinc/33/63/77/565336377.db2.gz WXOFYIAIUMPXPA-BLLLJJGKSA-N 0 1 394.317 2.956 20 0 GFADMN CNCc1cn(Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)nn1 ZINC000640989652 565339791 /nfs/dbraw/zinc/33/97/91/565339791.db2.gz 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ZINC000662870707 565388095 /nfs/dbraw/zinc/38/80/95/565388095.db2.gz LRNVWXIZSMNTCD-UHFFFAOYSA-N 0 1 393.285 2.593 20 0 GFADMN O[C@H](CNCc1cc(Br)sc1Br)[C@H]1CCCO1 ZINC000641775633 565398842 /nfs/dbraw/zinc/39/88/42/565398842.db2.gz NSZJEODVXKGISV-RKDXNWHRSA-N 0 1 385.121 2.903 20 0 GFADMN CCOCC[C@H](O)CNCc1cc(Cl)ccc1I ZINC000594717627 565410708 /nfs/dbraw/zinc/41/07/08/565410708.db2.gz DCEOSWLNCRABEB-LBPRGKRZSA-N 0 1 383.657 2.822 20 0 GFADMN O[C@@H](CNCc1cc(Cl)ccc1I)COCC1CC1 ZINC000594717777 565411181 /nfs/dbraw/zinc/41/11/81/565411181.db2.gz GEECEZJWUBXFFN-ZDUSSCGKSA-N 0 1 395.668 2.822 20 0 GFADMN CN(CC(=O)Nc1ccccc1Br)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621265484 565412944 /nfs/dbraw/zinc/41/29/44/565412944.db2.gz CSTLVOICNVOJSO-UHFFFAOYSA-N 0 1 379.258 2.547 20 0 GFADMN CC[C@@H](Cc1ccc(Br)cc1)N1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000663326821 565413590 /nfs/dbraw/zinc/41/35/90/565413590.db2.gz VXUJPCPXGNAPJM-GJZGRUSLSA-N 0 1 391.269 2.656 20 0 GFADMN Brc1ccc2nnc(NC3CCN(Cc4ccccn4)CC3)n2c1 ZINC000663393397 565418085 /nfs/dbraw/zinc/41/80/85/565418085.db2.gz ANTOYLZPEULPRH-UHFFFAOYSA-N 0 1 387.285 2.963 20 0 GFADMN O=C(CN[C@@H]1CCCSc2ccc(Br)cc21)N1CCOCC1 ZINC000663443093 565421546 /nfs/dbraw/zinc/42/15/46/565421546.db2.gz OLZHGDTVWUXTNM-CQSZACIVSA-N 0 1 385.327 2.825 20 0 GFADMN COc1cc(N2CCC(CCN3CCOCC3)CC2)c(Br)cn1 ZINC000663479901 565422492 /nfs/dbraw/zinc/42/24/92/565422492.db2.gz LMCZXASPIDZXNJ-UHFFFAOYSA-N 0 1 384.318 2.791 20 0 GFADMN O=C(c1cc2c(cc1Br)OCO2)N1CCN(C2CCCC2)CC1 ZINC000621481460 565426963 /nfs/dbraw/zinc/42/69/63/565426963.db2.gz PRWUKJIDTHILNR-UHFFFAOYSA-N 0 1 381.270 2.878 20 0 GFADMN C[C@H](NCc1cc(Cl)ccc1I)[C@H]1CN(C)CCO1 ZINC000594931313 565435521 /nfs/dbraw/zinc/43/55/21/565435521.db2.gz NPYDTUVQLHPLED-IINYFYTJSA-N 0 1 394.684 2.753 20 0 GFADMN C[C@]1(CNCc2cc(Cl)ccc2I)CCC(=O)N1 ZINC000594947161 565437507 /nfs/dbraw/zinc/43/75/07/565437507.db2.gz WSYNGYGCLZVWRS-CYBMUJFWSA-N 0 1 378.641 2.703 20 0 GFADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594964830 565438337 /nfs/dbraw/zinc/43/83/37/565438337.db2.gz GPZVFINLZSJNRO-ALLJEULLSA-N 0 1 377.959 2.913 20 0 GFADMN O=C(NCc1cccc(Br)c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000663856456 565439394 /nfs/dbraw/zinc/43/93/94/565439394.db2.gz RQSVPLQLPQNROP-QGZVFWFLSA-N 0 1 396.329 2.845 20 0 GFADMN CC(C)(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)c1cnc[nH]1 ZINC000621977742 565453272 /nfs/dbraw/zinc/45/32/72/565453272.db2.gz WSZYHZUZGPRUOX-ZDUSSCGKSA-N 0 1 377.286 2.845 20 0 GFADMN CC[C@H](Cc1ccccc1Br)NC(=O)NCCCc1nc[nH]n1 ZINC000664419107 565462257 /nfs/dbraw/zinc/46/22/57/565462257.db2.gz BFQQFAIFXKROMU-CYBMUJFWSA-N 0 1 380.290 2.820 20 0 GFADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@H]1CO ZINC000622234516 565468612 /nfs/dbraw/zinc/46/86/12/565468612.db2.gz XMGTZRMUCDLTCI-DGCLKSJQSA-N 0 1 378.270 2.930 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NCC(F)(F)c2ccc(F)cc2)oc1C ZINC000595364131 565468589 /nfs/dbraw/zinc/46/85/89/565468589.db2.gz 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Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCCN1CC[C@H](O)C1 ZINC000629915557 565875510 /nfs/dbraw/zinc/87/55/10/565875510.db2.gz CNJAMADVZJTKJD-LBPRGKRZSA-N 0 1 384.263 2.753 20 0 GFADMN O=C(NCCN1CC[C@H](O)C1)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000629915424 565875847 /nfs/dbraw/zinc/87/58/47/565875847.db2.gz IEKNYXIGBHRCIX-YSVLISHTSA-N 0 1 387.307 2.644 20 0 GFADMN COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000674604726 565878755 /nfs/dbraw/zinc/87/87/55/565878755.db2.gz SRHDWSPMDCDZPN-NSHDSACASA-N 0 1 391.693 2.649 20 0 GFADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cscc3Br)C2)CC1 ZINC000603012423 565878858 /nfs/dbraw/zinc/87/88/58/565878858.db2.gz IPZDOTIAAIHGED-GFCCVEGCSA-N 0 1 387.347 2.754 20 0 GFADMN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccc(Br)cc1OCCCO ZINC000629994343 565878924 /nfs/dbraw/zinc/87/89/24/565878924.db2.gz OKCBKAQUFIZXFU-CYBMUJFWSA-N 0 1 399.329 2.872 20 0 GFADMN CCN(CC)[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccccc1Cl ZINC000603023519 565880542 /nfs/dbraw/zinc/88/05/42/565880542.db2.gz CGMDBAJNFZUZDA-HNNXBMFYSA-N 0 1 382.917 2.877 20 0 GFADMN CCN1CCN(CC(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC000674837724 565885631 /nfs/dbraw/zinc/88/56/31/565885631.db2.gz JDWTXVFSNOLGLM-KRWDZBQOSA-N 0 1 380.330 2.750 20 0 GFADMN O=S(=O)(NC[C@@]1(CO)CCc2ccccc21)c1c(Cl)ccc(F)c1F ZINC000651787242 565893051 /nfs/dbraw/zinc/89/30/51/565893051.db2.gz JOFDDXWXPUZUGM-QGZVFWFLSA-N 0 1 387.835 2.773 20 0 GFADMN O=S(=O)(N[C@H](CO)CCF)c1c(Cl)cc(Br)cc1Cl ZINC000651896127 565903027 /nfs/dbraw/zinc/90/30/27/565903027.db2.gz IBWKJCATWGDUKE-ZETCQYMHSA-N 0 1 395.077 2.755 20 0 GFADMN CN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000675519588 565907781 /nfs/dbraw/zinc/90/77/81/565907781.db2.gz KOUDBXFOIIHVCG-ZDUSSCGKSA-N 0 1 377.535 2.732 20 0 GFADMN O=S(=O)(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)c(Cl)c1 ZINC000603505181 565908946 /nfs/dbraw/zinc/90/89/46/565908946.db2.gz UCYSUVMPWUNAGK-UHFFFAOYSA-N 0 1 384.795 2.882 20 0 GFADMN O=S(=O)(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 ZINC000603505181 565908951 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CN(C)C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000631136904 565944406 /nfs/dbraw/zinc/94/44/06/565944406.db2.gz RIJHIGZIRZXFNW-MRXNPFEDSA-N 0 1 385.892 2.519 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652902689 565946465 /nfs/dbraw/zinc/94/64/65/565946465.db2.gz WROIZBGWZKCSRN-GFCCVEGCSA-N 0 1 382.295 2.635 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652902159 565946576 /nfs/dbraw/zinc/94/65/76/565946576.db2.gz BFEUJIMTYWCPRC-ZIAGYGMSSA-N 0 1 380.279 2.559 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000631186085 565946822 /nfs/dbraw/zinc/94/68/22/565946822.db2.gz GWBPPWMGIWGWBK-SJORKVTESA-N 0 1 384.860 2.746 20 0 GFADMN CO[C@H](CC(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)C(F)(F)F ZINC000653031286 565952018 /nfs/dbraw/zinc/95/20/18/565952018.db2.gz SMRSPLBQBADIAR-LLVKDONJSA-N 0 1 376.766 2.751 20 0 GFADMN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000653226953 565959726 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GFADMN O=C(C1CCCCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737786572 598297934 /nfs/dbraw/zinc/29/79/34/598297934.db2.gz UNSHZWBQIBGKIB-UHFFFAOYSA-N 0 1 382.512 2.871 20 0 GFADMN COc1ccc(-c2n[nH]cc2CNCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000737057796 598315333 /nfs/dbraw/zinc/31/53/33/598315333.db2.gz SWKIJLJFMZKKLL-UHFFFAOYSA-N 0 1 379.399 2.694 20 0 GFADMN C[C@@H](NC(=S)NNc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cccs1 ZINC000736126489 598323716 /nfs/dbraw/zinc/32/37/16/598323716.db2.gz OEKLHTAQYGHHNQ-MRVPVSSYSA-N 0 1 392.514 2.766 20 0 GFADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076840 598431401 /nfs/dbraw/zinc/43/14/01/598431401.db2.gz RJDBWLPZBYGLSG-ZIAGYGMSSA-N 0 1 380.452 2.862 20 0 GFADMN Cc1nn(C)c(Oc2ccccc2)c1CNCc1cccc(-c2nn[nH]n2)c1 ZINC000737511144 598465510 /nfs/dbraw/zinc/46/55/10/598465510.db2.gz KWRAXLFTEBIJES-UHFFFAOYSA-N 0 1 375.436 2.991 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000738372431 598503547 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CC[C@@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736333423 598815963 /nfs/dbraw/zinc/81/59/63/598815963.db2.gz PZSGFQMKTZLPFP-SFHVURJKSA-N 0 1 384.528 2.973 20 0 GFADMN CCn1cc(CNCc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cn1 ZINC000736722476 599333391 /nfs/dbraw/zinc/33/33/91/599333391.db2.gz MWNBBOKZJKOBDN-UHFFFAOYSA-N 0 1 389.463 2.952 20 0 GFADMN CC[C@@H](C)NC(=O)c1cccc(CNCc2ccc(OC)c(-c3nn[nH]n3)c2)c1 ZINC000820876985 599405445 /nfs/dbraw/zinc/40/54/45/599405445.db2.gz XRHGOBLYBFTEPW-CQSZACIVSA-N 0 1 394.479 2.693 20 0 GFADMN Brc1cc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cs1 ZINC000735368410 599484133 /nfs/dbraw/zinc/48/41/33/599484133.db2.gz LTUKOUWFPGXVJF-UHFFFAOYSA-N 0 1 390.270 2.628 20 0 GFADMN C[C@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C[C@H](O)c1ccccc1 ZINC000820768771 599531046 /nfs/dbraw/zinc/53/10/46/599531046.db2.gz PNLRDDDXJMEUMF-LIRRHRJNSA-N 0 1 398.898 2.764 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1-c1nn[nH]n1 ZINC000821969570 599545565 /nfs/dbraw/zinc/54/55/65/599545565.db2.gz BKSRZTHBJMIPFH-HZMBPMFUSA-N 0 1 382.449 2.522 20 0 GFADMN CSc1n[nH]c(NC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)n1 ZINC000737189756 599567890 /nfs/dbraw/zinc/56/78/90/599567890.db2.gz PZFGMLDVNLRNMU-UHFFFAOYSA-N 0 1 393.436 2.703 20 0 GFADMN CCc1ccccc1Nc1nc(N)nc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000737274172 599713176 /nfs/dbraw/zinc/71/31/76/599713176.db2.gz JEMPFCPRFDZPIG-XIRDDKMYSA-N 0 1 396.495 2.978 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000736213436 599718740 /nfs/dbraw/zinc/71/87/40/599718740.db2.gz CVFUCLYQGGDBMS-QRWLVFNGSA-N 0 1 382.460 2.635 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000736213436 599718741 /nfs/dbraw/zinc/71/87/41/599718741.db2.gz CVFUCLYQGGDBMS-QRWLVFNGSA-N 0 1 382.460 2.635 20 0 GFADMN COc1c(C)cc(C[N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)[O-])cc1C ZINC000737838935 599720755 /nfs/dbraw/zinc/72/07/55/599720755.db2.gz FMISOGBPJGCPHR-YVLHZVERSA-N 0 1 378.494 2.635 20 0 GFADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000737492870 599734266 /nfs/dbraw/zinc/73/42/66/599734266.db2.gz XJWVQVOTFUGQKA-UHFFFAOYSA-N 0 1 378.432 2.852 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000738799521 599761114 /nfs/dbraw/zinc/76/11/14/599761114.db2.gz HCUCZSGRYDWZJC-UPJWGTAASA-N 0 1 390.465 2.763 20 0 GFADMN Cc1ccsc1-c1nnc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000738799521 599761117 /nfs/dbraw/zinc/76/11/17/599761117.db2.gz HCUCZSGRYDWZJC-UPJWGTAASA-N 0 1 390.465 2.763 20 0 GFADMN Cc1ccc(C[N@H+](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000738594519 599812077 /nfs/dbraw/zinc/81/20/77/599812077.db2.gz QRMYHJAMUPPXIS-GOSISDBHSA-N 0 1 385.489 2.782 20 0 GFADMN Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000738594519 599812079 /nfs/dbraw/zinc/81/20/79/599812079.db2.gz QRMYHJAMUPPXIS-GOSISDBHSA-N 0 1 385.489 2.782 20 0 GFADMN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000521886985 599875042 /nfs/dbraw/zinc/87/50/42/599875042.db2.gz UUQDQUNDXFXKBR-WMZOPIPTSA-N 0 1 385.416 2.690 20 0 GFADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737115603 599910235 /nfs/dbraw/zinc/91/02/35/599910235.db2.gz NISHZSFVMBFPNT-UHFFFAOYSA-N 0 1 396.447 2.807 20 0 GFADMN C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736605526 599930653 /nfs/dbraw/zinc/93/06/53/599930653.db2.gz HEMBODMFRHZKAH-INIZCTEOSA-N 0 1 382.464 2.717 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC1)C(=O)[O-] ZINC000736578299 599951216 /nfs/dbraw/zinc/95/12/16/599951216.db2.gz LMNDIVZOEFIVOC-LBPRGKRZSA-N 0 1 383.286 2.593 20 0 GFADMN Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000738369625 599969004 /nfs/dbraw/zinc/96/90/04/599969004.db2.gz NSXOIRONMSXHBM-CQSZACIVSA-N 0 1 376.482 2.753 20 0 GFADMN Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000738369625 599969006 /nfs/dbraw/zinc/96/90/06/599969006.db2.gz NSXOIRONMSXHBM-CQSZACIVSA-N 0 1 376.482 2.753 20 0 GFADMN Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)c1 ZINC000738332377 599975837 /nfs/dbraw/zinc/97/58/37/599975837.db2.gz RJGVFGGRKBNOLJ-CYBMUJFWSA-N 0 1 388.493 2.716 20 0 GFADMN Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C2)c1 ZINC000738332377 599975839 /nfs/dbraw/zinc/97/58/39/599975839.db2.gz RJGVFGGRKBNOLJ-CYBMUJFWSA-N 0 1 388.493 2.716 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(NC(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000738408928 599980614 /nfs/dbraw/zinc/98/06/14/599980614.db2.gz QQCCXOOVOOSUIU-INIZCTEOSA-N 0 1 384.440 2.974 20 0 GFADMN C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H](C)O1 ZINC000736809595 600020834 /nfs/dbraw/zinc/02/08/34/600020834.db2.gz MGFWZGHAPFBDRB-GASCZTMLSA-N 0 1 395.525 2.625 20 0 GFADMN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000737987000 600046046 /nfs/dbraw/zinc/04/60/46/600046046.db2.gz PGLLWSYWTFLQNQ-LEWJYISDSA-N 0 1 394.471 2.870 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000738533979 600050412 /nfs/dbraw/zinc/05/04/12/600050412.db2.gz XBCBSFPNGPPKDR-UHFFFAOYSA-N 0 1 393.447 2.554 20 0 GFADMN Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])c1 ZINC000738705039 600070603 /nfs/dbraw/zinc/07/06/03/600070603.db2.gz ZMORGQFESANBJI-SFTDATJTSA-N 0 1 395.503 2.662 20 0 GFADMN CC(C)(C)OC(=O)CC[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736262793 600079011 /nfs/dbraw/zinc/07/90/11/600079011.db2.gz TUCIFOKOFVNMQV-QGZVFWFLSA-N 0 1 382.888 2.815 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000737868649 600111790 /nfs/dbraw/zinc/11/17/90/600111790.db2.gz VKHXMQFZJUIZAM-SWLSCSKDSA-N 0 1 394.493 2.899 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C(C)(C)C(=O)[O-] ZINC000737408008 600137039 /nfs/dbraw/zinc/13/70/39/600137039.db2.gz 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388.512 2.682 20 0 GFADMN CC(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)NC(=O)[O-])cc1 ZINC000738882214 602655887 /nfs/dbraw/zinc/65/58/87/602655887.db2.gz KPMJYVFFNIHRJV-MAUKXSAKSA-N 0 1 376.501 2.760 20 0 GFADMN Cc1cc(N2CCC[C@H](OC(=O)Cc3ccc(NC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000740079983 602684689 /nfs/dbraw/zinc/68/46/89/602684689.db2.gz NBEZRRHMYYSNGG-KRWDZBQOSA-N 0 1 384.436 2.938 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(NC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738230633 602689639 /nfs/dbraw/zinc/68/96/39/602689639.db2.gz NUKPJICSICQJLO-INIZCTEOSA-N 0 1 384.440 2.974 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000739080692 602699220 /nfs/dbraw/zinc/69/92/20/602699220.db2.gz OCFIXHLQNNSWAU-IXDOHACOSA-N 0 1 382.549 2.822 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739176363 602764149 /nfs/dbraw/zinc/76/41/49/602764149.db2.gz DBNCBBBEOVXEGA-JOYOIKCWSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739176363 602764150 /nfs/dbraw/zinc/76/41/50/602764150.db2.gz DBNCBBBEOVXEGA-JOYOIKCWSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@H]1NC(=O)[O-] ZINC000739187827 602775367 /nfs/dbraw/zinc/77/53/67/602775367.db2.gz JDFMNZPAPGMWRB-ZYHUDNBSSA-N 0 1 375.498 2.630 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC[C@H]1NC(=O)[O-] ZINC000739187827 602775368 /nfs/dbraw/zinc/77/53/68/602775368.db2.gz JDFMNZPAPGMWRB-ZYHUDNBSSA-N 0 1 375.498 2.630 20 0 GFADMN CC[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000739258432 602817956 /nfs/dbraw/zinc/81/79/56/602817956.db2.gz SUKOYEKQVZREGJ-ATZDWAIDSA-N 0 1 388.512 2.511 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739143982 602821215 /nfs/dbraw/zinc/82/12/15/602821215.db2.gz WBLXVBAYVQBICK-YJBOKZPZSA-N 0 1 376.501 2.714 20 0 GFADMN CSCC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000739999924 602850325 /nfs/dbraw/zinc/85/03/25/602850325.db2.gz SSQZVFMPYMTPGE-NXHRZFHOSA-N 0 1 393.553 2.887 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084859 602863712 /nfs/dbraw/zinc/86/37/12/602863712.db2.gz UNHDOALIPDUXRO-CVEARBPZSA-N 0 1 391.516 2.882 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084859 602863714 /nfs/dbraw/zinc/86/37/14/602863714.db2.gz UNHDOALIPDUXRO-CVEARBPZSA-N 0 1 391.516 2.882 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000832692632 602908849 /nfs/dbraw/zinc/90/88/49/602908849.db2.gz ZIQXMEXKZHRSSE-ALOPSCKCSA-N 0 1 383.448 2.973 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)CC1CCN(C(=O)[O-])CC1 ZINC000739636216 602930523 /nfs/dbraw/zinc/93/05/23/602930523.db2.gz YXOQLGCIXBUUOK-CQSZACIVSA-N 0 1 390.402 2.767 20 0 GFADMN Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1NC(=O)[O-] ZINC000830211579 603013232 /nfs/dbraw/zinc/01/32/32/603013232.db2.gz UHPKQONQOFTBDI-UHFFFAOYSA-N 0 1 388.512 2.765 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000740396547 603133456 /nfs/dbraw/zinc/13/34/56/603133456.db2.gz AGJMLYBJTVPHIZ-CABCVRRESA-N 0 1 385.386 2.538 20 0 GFADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000826893148 603139841 /nfs/dbraw/zinc/13/98/41/603139841.db2.gz PWEJNPDSKDJUDI-GOSISDBHSA-N 0 1 387.524 2.889 20 0 GFADMN CCN(Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1)C(=O)[O-] ZINC000739448518 603143530 /nfs/dbraw/zinc/14/35/30/603143530.db2.gz WMDDCXJHDDMCCR-SFHVURJKSA-N 0 1 392.500 2.665 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416870 603176387 /nfs/dbraw/zinc/17/63/87/603176387.db2.gz MXMWXXZIFDEZSH-KXBFYZLASA-N 0 1 383.448 2.855 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000825416870 603176390 /nfs/dbraw/zinc/17/63/90/603176390.db2.gz MXMWXXZIFDEZSH-KXBFYZLASA-N 0 1 383.448 2.855 20 0 GFADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736583684 603213684 /nfs/dbraw/zinc/21/36/84/603213684.db2.gz ADZIOEVURBJTBR-MRXNPFEDSA-N 0 1 382.464 2.717 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740568826 603251980 /nfs/dbraw/zinc/25/19/80/603251980.db2.gz NYZIYTCDGSPQTK-HRCADAONSA-N 0 1 379.526 2.903 20 0 GFADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)CCCNC(=O)[O-])cc1 ZINC000739891155 603254079 /nfs/dbraw/zinc/25/40/79/603254079.db2.gz CQRQPHFJZVAKSM-SFHVURJKSA-N 0 1 377.485 2.728 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CCN1C(=O)[O-] ZINC000739184499 603365985 /nfs/dbraw/zinc/36/59/85/603365985.db2.gz WMGGICAJBPXZEH-JTQLQIEISA-N 0 1 388.237 2.601 20 0 GFADMN C[N@@H+]1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000828494190 603436206 /nfs/dbraw/zinc/43/62/06/603436206.db2.gz HZARFBXVNBGORW-PMACEKPBSA-N 0 1 381.476 2.771 20 0 GFADMN C[N@H+]1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000828494190 603436208 /nfs/dbraw/zinc/43/62/08/603436208.db2.gz HZARFBXVNBGORW-PMACEKPBSA-N 0 1 381.476 2.771 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)NC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825787516 603444294 /nfs/dbraw/zinc/44/42/94/603444294.db2.gz AZGZECJQDIXUNU-WBVHZDCISA-N 0 1 376.501 2.727 20 0 GFADMN C[C@@H](CNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)[N@H+]1CCCC[C@@H]1C ZINC000825902434 603476606 /nfs/dbraw/zinc/47/66/06/603476606.db2.gz XQQGQOPAAKKVBG-HOTGVXAUSA-N 0 1 380.533 2.813 20 0 GFADMN CCN(CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1)C(=O)[O-] ZINC000827089570 603542469 /nfs/dbraw/zinc/54/24/69/603542469.db2.gz MENFYYMWVVYINK-AWEZNQCLSA-N 0 1 390.484 2.684 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000826067369 603663118 /nfs/dbraw/zinc/66/31/18/603663118.db2.gz KNVVBCLSLGLICH-JYPHPWERSA-N 0 1 388.512 2.775 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000826069542 603666272 /nfs/dbraw/zinc/66/62/72/603666272.db2.gz VLJVWEHNKGSYLZ-OQIJWPOYSA-N 0 1 388.512 2.633 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000825996415 603674938 /nfs/dbraw/zinc/67/49/38/603674938.db2.gz MDBMESUJGKVORE-RWQQGDIJSA-N 0 1 388.512 2.585 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824330080 603705824 /nfs/dbraw/zinc/70/58/24/603705824.db2.gz QMAXLXJEQVLVHI-GOSISDBHSA-N 0 1 376.501 2.811 20 0 GFADMN C[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000828162864 603782533 /nfs/dbraw/zinc/78/25/33/603782533.db2.gz RFKBFNBAUZLXMD-ZZVGESKWSA-N 0 1 376.497 2.952 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000831647924 603801990 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C[C@H](CCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000824786068 605556230 /nfs/dbraw/zinc/55/62/30/605556230.db2.gz ISALUAIDDWNSIN-RYRKJORJSA-N 0 1 376.501 2.727 20 0 GFADMN CCOC(=O)c1cnc(N2CC[NH+](Cc3cccc(NC(=O)[O-])c3)CC2)s1 ZINC000833861158 605598013 /nfs/dbraw/zinc/59/80/13/605598013.db2.gz LRFFOYIABVXCFE-UHFFFAOYSA-N 0 1 390.465 2.732 20 0 GFADMN O=C([O-])Nc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000834268836 605607787 /nfs/dbraw/zinc/60/77/87/605607787.db2.gz LGJMHNACOKZHEQ-UHFFFAOYSA-N 0 1 386.427 2.672 20 0 GFADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833606599 605701046 /nfs/dbraw/zinc/70/10/46/605701046.db2.gz RWQHYYCWZKVRFV-UHOFOFEASA-N 0 1 384.398 2.687 20 0 GFADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833606599 605701049 /nfs/dbraw/zinc/70/10/49/605701049.db2.gz RWQHYYCWZKVRFV-UHOFOFEASA-N 0 1 384.398 2.687 20 0 GFADMN C[C@@H]1C[C@@H]1[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000825861076 605744902 /nfs/dbraw/zinc/74/49/02/605744902.db2.gz OIJQOIJPYBXXCM-PUECVXPYSA-N 0 1 379.888 2.885 20 0 GFADMN C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824881067 605802625 /nfs/dbraw/zinc/80/26/25/605802625.db2.gz STEYQQFPAHXLBJ-WBVHZDCISA-N 0 1 385.468 2.515 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833291 605884523 /nfs/dbraw/zinc/88/45/23/605884523.db2.gz XFVOFLKAFPBPGG-ZJUUUORDSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833291 605884526 /nfs/dbraw/zinc/88/45/26/605884526.db2.gz XFVOFLKAFPBPGG-ZJUUUORDSA-N 0 1 391.802 2.858 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000833993284 605902735 /nfs/dbraw/zinc/90/27/35/605902735.db2.gz SUXCMFFJKYZWKG-UHFFFAOYSA-N 0 1 379.888 2.812 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833613276 605903096 /nfs/dbraw/zinc/90/30/96/605903096.db2.gz GGKIDRJZZGFWGY-LBPRGKRZSA-N 0 1 395.887 2.603 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000833833509 605906083 /nfs/dbraw/zinc/90/60/83/605906083.db2.gz YSDWYBZINQUZEV-WCQYABFASA-N 0 1 388.295 2.930 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833830624 605906485 /nfs/dbraw/zinc/90/64/85/605906485.db2.gz KVESCOFSSQMVKI-UTUOFQBUSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000740596471 605936655 /nfs/dbraw/zinc/93/66/55/605936655.db2.gz YGPYWTJJWWNDRZ-ICSRJNTNSA-N 0 1 379.460 2.503 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000740596471 605936660 /nfs/dbraw/zinc/93/66/60/605936660.db2.gz YGPYWTJJWWNDRZ-ICSRJNTNSA-N 0 1 379.460 2.503 20 0 GFADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000833871441 605942499 /nfs/dbraw/zinc/94/24/99/605942499.db2.gz ZVVLTIKNNXUYFT-UHFFFAOYSA-N 0 1 383.876 2.860 20 0 GFADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000833869860 606019020 /nfs/dbraw/zinc/01/90/20/606019020.db2.gz CHSBBMALSNCJBH-UHFFFAOYSA-N 0 1 382.436 2.738 20 0 GFADMN CN(C)[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000821579534 606114903 /nfs/dbraw/zinc/11/49/03/606114903.db2.gz FLNRKKQSGZNODS-INIZCTEOSA-N 0 1 385.859 2.945 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]2CCCC[C@H]12 ZINC000820723127 606189505 /nfs/dbraw/zinc/18/95/05/606189505.db2.gz WMDSXKZQZLYQKY-OLMNPRSZSA-N 0 1 389.525 2.541 20 0 GFADMN O=C(Nc1cccc(CNCc2cc(-c3nn[nH]n3)cs2)c1)c1ccncc1 ZINC000823363386 606213529 /nfs/dbraw/zinc/21/35/29/606213529.db2.gz ARIKGVSMLWWUNH-UHFFFAOYSA-N 0 1 391.460 2.865 20 0 GFADMN Cc1nnc(NC(=O)c2ccc(Sc3ccccc3-c3nn[nH]n3)cc2)[nH]1 ZINC000822452964 606278928 /nfs/dbraw/zinc/27/89/28/606278928.db2.gz CPKIBHBCYAUKGP-UHFFFAOYSA-N 0 1 378.421 2.697 20 0 GFADMN O=C1[C@@H](N2CC[C@H](c3ccccc3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504098 606318234 /nfs/dbraw/zinc/31/82/34/606318234.db2.gz MALNTSWKJBHBBM-HOCLYGCPSA-N 0 1 380.477 2.523 20 0 GFADMN CC(C)(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000749142460 606429846 /nfs/dbraw/zinc/42/98/46/606429846.db2.gz KTDXBMRRMHACRV-UHFFFAOYSA-N 0 1 385.449 2.896 20 0 GFADMN Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822356124 606527457 /nfs/dbraw/zinc/52/74/57/606527457.db2.gz JXCRLWWBXXWIEL-UHFFFAOYSA-N 0 1 382.493 2.631 20 0 GFADMN Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822356124 606527458 /nfs/dbraw/zinc/52/74/58/606527458.db2.gz JXCRLWWBXXWIEL-UHFFFAOYSA-N 0 1 382.493 2.631 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000819866567 606717299 /nfs/dbraw/zinc/71/72/99/606717299.db2.gz NYZBIFCAJIFDRD-YCRPNKLZSA-N 0 1 376.464 2.857 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)cc1 ZINC000822138065 606796746 /nfs/dbraw/zinc/79/67/46/606796746.db2.gz ZLBBZGBSCVWSEX-GFCCVEGCSA-N 0 1 390.407 2.577 20 0 GFADMN C[C@H](c1ccccc1)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820438256 606893087 /nfs/dbraw/zinc/89/30/87/606893087.db2.gz LQVMWQSAHXNRJT-QWRGUYRKSA-N 0 1 393.419 2.615 20 0 GFADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[N@@H+](C)Cc1ccccc1 ZINC000820548840 606896844 /nfs/dbraw/zinc/89/68/44/606896844.db2.gz GRIBXFAEBZSRDK-INIZCTEOSA-N 0 1 395.463 2.699 20 0 GFADMN CC[C@@H](C(=O)Nc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)N(C)C ZINC000820843182 606968978 /nfs/dbraw/zinc/96/89/78/606968978.db2.gz UZLHWOXZXYHSRV-SFHVURJKSA-N 0 1 380.452 2.724 20 0 GFADMN COc1cccc([C@@H](C)N2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC000821860122 607064208 /nfs/dbraw/zinc/06/42/08/607064208.db2.gz XIYFKIDCRRQQRV-OAHLLOKOSA-N 0 1 396.470 2.893 20 0 GFADMN Cc1nc2ccccn2c1CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822461996 607064931 /nfs/dbraw/zinc/06/49/31/607064931.db2.gz BXCOSJDXIIIYFQ-UHFFFAOYSA-N 0 1 389.463 2.866 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1-c1nn[nH]n1 ZINC000821979811 607092360 /nfs/dbraw/zinc/09/23/60/607092360.db2.gz YLHGMPATURPUEV-UHFFFAOYSA-N 0 1 398.448 2.655 20 0 GFADMN O=S(=O)(Nc1cccc(OCCF)c1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823589083 607113830 /nfs/dbraw/zinc/11/38/30/607113830.db2.gz MESPSLARZIWUPX-UHFFFAOYSA-N 0 1 397.819 2.669 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000819875667 607177338 /nfs/dbraw/zinc/17/73/38/607177338.db2.gz BFQHDLGJIAUNQD-NVXWUHKLSA-N 0 1 391.479 2.770 20 0 GFADMN c1cn(CN2CCC(c3ccccn3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826520657 607818427 /nfs/dbraw/zinc/81/84/27/607818427.db2.gz OZDYIWNFBCSOSF-UHFFFAOYSA-N 0 1 386.463 2.962 20 0 GFADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187741 608064573 /nfs/dbraw/zinc/06/45/73/608064573.db2.gz DAULWRPESXREQB-PZJWPPBQSA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826187741 608064574 /nfs/dbraw/zinc/06/45/74/608064574.db2.gz DAULWRPESXREQB-PZJWPPBQSA-N 0 1 397.454 2.887 20 0 GFADMN COc1cc(Br)ccc1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000826177044 608136066 /nfs/dbraw/zinc/13/60/66/608136066.db2.gz PHLINWVRQLTARK-UHFFFAOYSA-N 0 1 392.257 2.953 20 0 GFADMN COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(Cl)cc1O ZINC000826161744 608138304 /nfs/dbraw/zinc/13/83/04/608138304.db2.gz XPGSWHKTODQOQS-UHFFFAOYSA-N 0 1 389.799 2.503 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cc2cccnc2)CC1 ZINC000824047078 608208121 /nfs/dbraw/zinc/20/81/21/608208121.db2.gz WRJJDXNXJFGCEN-OAHLLOKOSA-N 0 1 391.479 2.543 20 0 GFADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188069 608418608 /nfs/dbraw/zinc/41/86/08/608418608.db2.gz MVFMDXGNNIFANN-RXVVDRJESA-N 0 1 397.454 2.887 20 0 GFADMN COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826188069 608418609 /nfs/dbraw/zinc/41/86/09/608418609.db2.gz MVFMDXGNNIFANN-RXVVDRJESA-N 0 1 397.454 2.887 20 0 GFADMN C[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc(OC(F)F)c1 ZINC000824564112 608443869 /nfs/dbraw/zinc/44/38/69/608443869.db2.gz RRXDBOQVSXYKOB-NSHDSACASA-N 0 1 388.378 2.757 20 0 GFADMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554372 608460495 /nfs/dbraw/zinc/46/04/95/608460495.db2.gz OZPREOOKLRLFAJ-ZIAGYGMSSA-N 0 1 382.443 2.876 20 0 GFADMN CC(C)c1ccc(CCNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824347814 608464569 /nfs/dbraw/zinc/46/45/69/608464569.db2.gz OQEWKOJTFOWASV-MRXNPFEDSA-N 0 1 392.507 3.000 20 0 GFADMN C[C@@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555105 608466445 /nfs/dbraw/zinc/46/64/45/608466445.db2.gz USFKEFBSQWBJBA-LSDHHAIUSA-N 0 1 376.464 2.885 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000826183929 608475610 /nfs/dbraw/zinc/47/56/10/608475610.db2.gz FQDJHTYPYULAPP-ZDUSSCGKSA-N 0 1 394.435 2.683 20 0 GFADMN C[C@H](c1ccccc1)N(C)C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824770526 608532067 /nfs/dbraw/zinc/53/20/67/608532067.db2.gz LJCLVKWBZQQARU-OAHLLOKOSA-N 0 1 376.464 2.665 20 0 GFADMN CC(C)[C@@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000824193482 608532236 /nfs/dbraw/zinc/53/22/36/608532236.db2.gz YUBCSJYCPAWFHS-HXUWFJFHSA-N 0 1 390.491 2.959 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000826412470 608534140 /nfs/dbraw/zinc/53/41/40/608534140.db2.gz PCDVALNMNOGUAY-IBGZPJMESA-N 0 1 388.475 2.639 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)[C@H](C)CN1C ZINC000824974709 608597444 /nfs/dbraw/zinc/59/74/44/608597444.db2.gz DHLOLGFIBNFXPM-HUUCEWRRSA-N 0 1 392.463 2.824 20 0 GFADMN O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826457402 608631456 /nfs/dbraw/zinc/63/14/56/608631456.db2.gz ZUHPNYQBJNXZMJ-UHFFFAOYSA-N 0 1 383.481 2.714 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826505688 608859683 /nfs/dbraw/zinc/85/96/83/608859683.db2.gz CHRVBZVYLHTLPE-KRWDZBQOSA-N 0 1 375.885 2.761 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000826505688 608859685 /nfs/dbraw/zinc/85/96/85/608859685.db2.gz CHRVBZVYLHTLPE-KRWDZBQOSA-N 0 1 375.885 2.761 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826505688 608859687 /nfs/dbraw/zinc/85/96/87/608859687.db2.gz CHRVBZVYLHTLPE-KRWDZBQOSA-N 0 1 375.885 2.761 20 0 GFADMN O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000826505688 608859688 /nfs/dbraw/zinc/85/96/88/608859688.db2.gz CHRVBZVYLHTLPE-KRWDZBQOSA-N 0 1 375.885 2.761 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000824047092 609147400 /nfs/dbraw/zinc/14/74/00/609147400.db2.gz XEEPPTOHKFECDO-CVEARBPZSA-N 0 1 392.463 2.595 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccnc(Cl)c1 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O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc2c(cccc2Br)[nH]1 ZINC000848276291 661637959 /nfs/dbraw/zinc/63/79/59/661637959.db2.gz OPJIHWRGTNZWRL-ZDUSSCGKSA-N 0 1 390.241 2.830 20 0 GFADMN O=C1CC2(CN1)CCN(Cn1cc(-c3ccc(Br)cc3)cn1)CC2 ZINC000848481034 661653291 /nfs/dbraw/zinc/65/32/91/661653291.db2.gz VEYACOXTAMHUFU-UHFFFAOYSA-N 0 1 389.297 2.872 20 0 GFADMN Cn1c(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1Cl ZINC000848526345 661661612 /nfs/dbraw/zinc/66/16/12/661661612.db2.gz XOSHFKOFNBFDJL-UHFFFAOYSA-N 0 1 382.917 2.538 20 0 GFADMN CCc1nc([C@H](C)OC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)n[nH]1 ZINC000849721807 661742490 /nfs/dbraw/zinc/74/24/90/661742490.db2.gz PNNVLVXHTVLNCI-ISVAXAHUSA-N 0 1 378.376 2.576 20 0 GFADMN C[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000850065146 661764485 /nfs/dbraw/zinc/76/44/85/661764485.db2.gz BQFJQCXSQADDGV-JTQLQIEISA-N 0 1 376.404 2.661 20 0 GFADMN O=[S@@](CCNCc1cc(Br)cnc1Cl)CC(F)(F)F ZINC000850349873 661771303 /nfs/dbraw/zinc/77/13/03/661771303.db2.gz 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CC[C@@H](CNC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1)CC(F)(F)F ZINC000868706137 662615625 /nfs/dbraw/zinc/61/56/25/662615625.db2.gz RYKAUQNFWXPGOS-SKDRFNHKSA-N 0 1 377.329 2.818 20 0 GFADMN CSc1ccc(Cl)c(C(=O)OCC(=O)CCNC(=O)C(F)(F)F)c1 ZINC000869317321 662641263 /nfs/dbraw/zinc/64/12/63/662641263.db2.gz BMDNJMIWHCXURS-UHFFFAOYSA-N 0 1 383.775 2.856 20 0 GFADMN CCc1cc2c(CC(=O)NCCCN3CCC[C@H]3C(N)=O)csc2s1 ZINC000869400578 662645195 /nfs/dbraw/zinc/64/51/95/662645195.db2.gz BFQRKUVCNBFJBM-HNNXBMFYSA-N 0 1 379.551 2.524 20 0 GFADMN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH]cn1 ZINC000869412882 662645857 /nfs/dbraw/zinc/64/58/57/662645857.db2.gz VMTIIKJIVUTHAB-DZGCQCFKSA-N 0 1 380.242 2.578 20 0 GFADMN O=C(Nc1n[nH]c2cnc(Br)cc21)c1ccnn1C1CCOCC1 ZINC000869769843 662660621 /nfs/dbraw/zinc/66/06/21/662660621.db2.gz DFSBBJCLFIXBKN-UHFFFAOYSA-N 0 1 391.229 2.521 20 0 GFADMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c2cnc(Br)cc21 ZINC000869772449 662661023 /nfs/dbraw/zinc/66/10/23/662661023.db2.gz 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Cc1cc([C@H]2CCCN2C(=O)c2cnc(I)c(O)c2)no1 ZINC000873954242 662819716 /nfs/dbraw/zinc/81/97/16/662819716.db2.gz GJWOBPTXLJYLIR-LLVKDONJSA-N 0 1 399.188 2.666 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1CC[C@@H](c2ccco2)C1 ZINC000874454432 662831556 /nfs/dbraw/zinc/83/15/56/662831556.db2.gz BBXLVZLBZIGQQB-SECBINFHSA-N 0 1 384.173 2.615 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)NCc1cccc(Br)c1 ZINC000875175383 662842902 /nfs/dbraw/zinc/84/29/02/662842902.db2.gz FLSGLQCPVPYOKJ-UHFFFAOYSA-N 0 1 396.329 2.703 20 0 GFADMN CCN(CCNC(=O)N1CCO[C@H](C(F)(F)F)CC1)CCC(F)(F)F ZINC000875530194 662847446 /nfs/dbraw/zinc/84/74/46/662847446.db2.gz IQELEWHJTSCGGI-NSHDSACASA-N 0 1 379.345 2.624 20 0 GFADMN CCN(CCNC(=O)NCc1ccc(Br)cn1)CCC(F)(F)F ZINC000875530364 662847491 /nfs/dbraw/zinc/84/74/91/662847491.db2.gz NQVDDKVSKHNTMG-UHFFFAOYSA-N 0 1 397.239 2.918 20 0 GFADMN CCc1nc([C@H](C)NC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)n[nH]1 ZINC000876375786 662860759 /nfs/dbraw/zinc/86/07/59/662860759.db2.gz YNYGQXZDZNFPLQ-ZETCQYMHSA-N 0 1 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C[N@H+](Cc1ncc(Br)cc1[O-])C[C@H](O)COCc1ccccc1 ZINC000891796778 663350792 /nfs/dbraw/zinc/35/07/92/663350792.db2.gz PTGWDTCEKRTMIK-HNNXBMFYSA-N 0 1 381.270 2.559 20 0 GFADMN CSCc1n[nH]c(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)n1 ZINC000891936472 663356089 /nfs/dbraw/zinc/35/60/89/663356089.db2.gz UBVIQGGKXYDWND-UHFFFAOYSA-N 0 1 389.815 2.514 20 0 GFADMN CSCc1nnc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2Cl)[nH]1 ZINC000891936472 663356091 /nfs/dbraw/zinc/35/60/91/663356091.db2.gz UBVIQGGKXYDWND-UHFFFAOYSA-N 0 1 389.815 2.514 20 0 GFADMN O=S1(=O)CC[C@H](CNCc2cc(Br)ccc2Br)C1 ZINC000892506108 663376048 /nfs/dbraw/zinc/37/60/48/663376048.db2.gz UMXABRVRTMFWKV-SECBINFHSA-N 0 1 397.132 2.736 20 0 GFADMN COc1cc([C@H](C)[NH2+]Cc2ncc(Br)cc2[O-])ccc1OCCO ZINC000892672873 663380887 /nfs/dbraw/zinc/38/08/87/663380887.db2.gz YGVXNGXPDHUDSY-NSHDSACASA-N 0 1 397.269 2.780 20 0 GFADMN Cc1cc(C)n(-c2ccc(CCNCc3nc(Br)nn3C)cc2)n1 ZINC000894175338 663447145 /nfs/dbraw/zinc/44/71/45/663447145.db2.gz HBHKUTXFPAOLBV-UHFFFAOYSA-N 0 1 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COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000152161800 551427505 /nfs/dbraw/zinc/42/75/05/551427505.db2.gz RNACDSZLOGRZMV-CYBMUJFWSA-N 0 1 379.869 2.851 20 0 GFADMN Cc1cccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000152151547 551427558 /nfs/dbraw/zinc/42/75/58/551427558.db2.gz NUWFORYCXLMWHF-HNNXBMFYSA-N 0 1 380.535 2.928 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)c1Br ZINC000152431154 551432408 /nfs/dbraw/zinc/43/24/08/551432408.db2.gz XKTPRYBLYILZNT-UHFFFAOYSA-N 0 1 397.250 2.889 20 0 GFADMN COC(=O)c1cccc(CCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000152696121 551437930 /nfs/dbraw/zinc/43/79/30/551437930.db2.gz LPEVJMZSCZKAMO-MRXNPFEDSA-N 0 1 391.265 2.594 20 0 GFADMN CCNC(=O)N1CC[C@@H](NCc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000152759375 551438990 /nfs/dbraw/zinc/43/89/90/551438990.db2.gz BJWHJBIJVMVUCD-CQSZACIVSA-N 0 1 392.301 2.733 20 0 GFADMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000152959505 551443884 /nfs/dbraw/zinc/44/38/84/551443884.db2.gz 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552345347 /nfs/dbraw/zinc/34/53/47/552345347.db2.gz PWYZPUXVUKBSPC-WCQYABFASA-N 0 1 379.258 2.633 20 0 GFADMN C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000184889822 552347336 /nfs/dbraw/zinc/34/73/36/552347336.db2.gz DFDTXHGLJLKPKV-HNNXBMFYSA-N 0 1 382.869 2.619 20 0 GFADMN Cc1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sc1C(=O)[O-] ZINC000184919546 552347797 /nfs/dbraw/zinc/34/77/97/552347797.db2.gz LMZJGULSTINBCB-BETUJISGSA-N 0 1 388.555 2.791 20 0 GFADMN O=C(c1ccco1)N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000184930998 552348196 /nfs/dbraw/zinc/34/81/96/552348196.db2.gz NHTVGANDTDEHLZ-UHFFFAOYSA-N 0 1 389.253 2.876 20 0 GFADMN CC(C)OCCN1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185016542 552351377 /nfs/dbraw/zinc/35/13/77/552351377.db2.gz XMMFHIGDMSKYMD-QGZVFWFLSA-N 0 1 389.309 2.664 20 0 GFADMN Cc1cc(Br)cc(C(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000185101885 552354163 /nfs/dbraw/zinc/35/41/63/552354163.db2.gz SOVLTYNXBKEJPS-UHFFFAOYSA-N 0 1 381.314 2.942 20 0 GFADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000185164927 552356004 /nfs/dbraw/zinc/35/60/04/552356004.db2.gz VTHWYKNHOJNWCL-RNCFNFMXSA-N 0 1 395.308 2.652 20 0 GFADMN Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1Br ZINC000185488535 552364335 /nfs/dbraw/zinc/36/43/35/552364335.db2.gz VAZWVPHWRMGGNT-AWEZNQCLSA-N 0 1 382.302 2.944 20 0 GFADMN C[C@@H]1CN(CCCNC(=O)N2Cc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000185510116 552364605 /nfs/dbraw/zinc/36/46/05/552364605.db2.gz NNQGFADAKWYOOE-ZIAGYGMSSA-N 0 1 396.329 2.974 20 0 GFADMN C[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)c1nnc[nH]1 ZINC000185584034 552367121 /nfs/dbraw/zinc/36/71/21/552367121.db2.gz CSQNNMJCYKNAFT-SECBINFHSA-N 0 1 381.255 2.760 20 0 GFADMN O=C(CCc1nc[nH]n1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000185625951 552367369 /nfs/dbraw/zinc/36/73/69/552367369.db2.gz LVNDNAJYHLUXRT-UHFFFAOYSA-N 0 1 379.258 2.570 20 0 GFADMN O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000186129948 552379801 /nfs/dbraw/zinc/37/98/01/552379801.db2.gz 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O=C(c1[nH]nc2c1CNCC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000188509583 552446635 /nfs/dbraw/zinc/44/66/35/552446635.db2.gz ZSNMQGGPRIBWJB-HNNXBMFYSA-N 0 1 381.263 2.576 20 0 GFADMN O=S(=O)(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(F)cc(F)cc1F ZINC000188548792 552447490 /nfs/dbraw/zinc/44/74/90/552447490.db2.gz TWFOGPOWYYCNSP-SDBXPKJASA-N 0 1 391.333 2.866 20 0 GFADMN C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188680325 552452068 /nfs/dbraw/zinc/45/20/68/552452068.db2.gz UUDOSEVURMHXMK-LSDHHAIUSA-N 0 1 397.357 2.931 20 0 GFADMN O=S(=O)(N[C@@H]1CCC[C@H]1CCO)c1cc(F)c(Br)cc1F ZINC000188917456 552458588 /nfs/dbraw/zinc/45/85/88/552458588.db2.gz HJORAHJFLQTXCA-QPUJVOFHSA-N 0 1 384.242 2.557 20 0 GFADMN Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000189165606 552465118 /nfs/dbraw/zinc/46/51/18/552465118.db2.gz JIIFGTZULNVWHD-UHFFFAOYSA-N 0 1 376.869 2.955 20 0 GFADMN O=S(=O)(CCO)c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000189161670 552465217 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C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CCN1CC(C)(C)O ZINC000190130534 552488221 /nfs/dbraw/zinc/48/82/21/552488221.db2.gz WZKANRCKKNLELC-LLVKDONJSA-N 0 1 388.281 2.897 20 0 GFADMN CO[C@H]1CC[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000190186399 552489888 /nfs/dbraw/zinc/48/98/88/552489888.db2.gz IUKHXAVZEMVTNI-OLZOCXBDSA-N 0 1 394.273 2.601 20 0 GFADMN CO[C@H]1CC[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000190186399 552489890 /nfs/dbraw/zinc/48/98/90/552489890.db2.gz IUKHXAVZEMVTNI-OLZOCXBDSA-N 0 1 394.273 2.601 20 0 GFADMN Cc1nn(C)c(N2CCOCC2)c1CNCc1cc(Br)ccc1C ZINC000190296112 552491967 /nfs/dbraw/zinc/49/19/67/552491967.db2.gz NFGKUZCWLFVYKW-UHFFFAOYSA-N 0 1 393.329 2.926 20 0 GFADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000190371658 552494368 /nfs/dbraw/zinc/49/43/68/552494368.db2.gz FOMGCXAUUHJIHZ-QGZVFWFLSA-N 0 1 382.551 2.774 20 0 GFADMN C[C@@H]1CC[C@H](C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)O1 ZINC000191084248 552518163 /nfs/dbraw/zinc/51/81/63/552518163.db2.gz 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CCCN(C)[C@H](CNS(=O)(=O)c1cncn1CC)c1ccc(Cl)cc1 ZINC000509635690 564307013 /nfs/dbraw/zinc/30/70/13/564307013.db2.gz RUVOGFNMLVVQJG-MRXNPFEDSA-N 0 1 384.933 2.918 20 0 GFADMN CC(C)N1CCC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451408111 564310419 /nfs/dbraw/zinc/31/04/19/564310419.db2.gz YJYJTULIADJFHI-ZDUSSCGKSA-N 0 1 393.322 2.880 20 0 GFADMN O[C@@H](CNCc1nc2c(cccc2Br)[nH]1)COCc1ccccc1 ZINC000566121300 564310764 /nfs/dbraw/zinc/31/07/64/564310764.db2.gz CVQYYDLDUUJCGG-AWEZNQCLSA-N 0 1 390.281 2.993 20 0 GFADMN COC(=O)C[C@H]1CSCCN1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000475883144 564323457 /nfs/dbraw/zinc/32/34/57/564323457.db2.gz QKQGDOHUYHLGFY-STQMWFEESA-N 0 1 394.320 2.714 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000542760357 564324951 /nfs/dbraw/zinc/32/49/51/564324951.db2.gz KLNYLXOGWKDXNA-AWEZNQCLSA-N 0 1 389.323 2.673 20 0 GFADMN COCCn1cc2c(n1)[C@H](NC(=O)c1cccc(Br)c1O)CCC2 ZINC000542822321 564327683 /nfs/dbraw/zinc/32/76/83/564327683.db2.gz 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CCn1cc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)nn1 ZINC000637273192 565149249 /nfs/dbraw/zinc/14/92/49/565149249.db2.gz ZGFDKHJDMSHPGA-OAHLLOKOSA-N 0 1 385.299 2.707 20 0 GFADMN COc1cccc(OC)c1CN[C@H](C)Cn1cc(Br)ccc1=O ZINC000658118988 565150596 /nfs/dbraw/zinc/15/05/96/565150596.db2.gz LRJMAXARJYRWAO-GFCCVEGCSA-N 0 1 381.270 2.806 20 0 GFADMN CN1C[C@H]2CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@H]2C1 ZINC000615187890 565151217 /nfs/dbraw/zinc/15/12/17/565151217.db2.gz RIERKCHGCXIDEJ-RQJHMYQMSA-N 0 1 381.167 2.782 20 0 GFADMN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)c(Br)c1 ZINC000658122302 565151515 /nfs/dbraw/zinc/15/15/15/565151515.db2.gz UFACNBARJZGKQF-GFCCVEGCSA-N 0 1 382.302 2.685 20 0 GFADMN C[C@H]1CC(=O)NCCN1C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000637471993 565158619 /nfs/dbraw/zinc/15/86/19/565158619.db2.gz CRVVLIJMVAYQKO-XHDPSFHLSA-N 0 1 387.311 2.516 20 0 GFADMN CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CCN(C)C1 ZINC000658359059 565161245 /nfs/dbraw/zinc/16/12/45/565161245.db2.gz 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/nfs/dbraw/zinc/18/38/24/565183824.db2.gz JAIZALIORSDZKR-UHFFFAOYSA-N 0 1 380.535 2.824 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)c2cc(Br)cc3c2OCCO3)n[nH]1 ZINC000616222864 565194786 /nfs/dbraw/zinc/19/47/86/565194786.db2.gz ZVRFEXWIUODXII-UHFFFAOYSA-N 0 1 395.257 2.566 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cc1c(Cl)cccc1Br ZINC000616341238 565198324 /nfs/dbraw/zinc/19/83/24/565198324.db2.gz MRZVDDKULXKYMY-NWDGAFQWSA-N 0 1 389.721 2.559 20 0 GFADMN O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000616421048 565200963 /nfs/dbraw/zinc/20/09/63/565200963.db2.gz YCGOLUODPKNUCJ-NSHDSACASA-N 0 1 388.225 2.852 20 0 GFADMN COCCSc1ccc([C@@H](C)NCc2ccc(S(N)(=O)=O)s2)cc1 ZINC000638538884 565201519 /nfs/dbraw/zinc/20/15/19/565201519.db2.gz XQJSDZMUVFFTFB-GFCCVEGCSA-N 0 1 386.564 2.985 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCN1CCCC1 ZINC000590796178 565204486 /nfs/dbraw/zinc/20/44/86/565204486.db2.gz HNGKJZCCJPJBIG-UHFFFAOYSA-N 0 1 391.331 2.564 20 0 GFADMN COc1nsc(CNCCCOCC2CCOCC2)c1Br ZINC000638678062 565206594 /nfs/dbraw/zinc/20/65/94/565206594.db2.gz JMFXIZKRUITFJW-UHFFFAOYSA-N 0 1 379.320 2.837 20 0 GFADMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCN(C(C)(C)CO)CC1 ZINC000616765479 565208219 /nfs/dbraw/zinc/20/82/19/565208219.db2.gz UXEZKBBQCDQTQA-OAHLLOKOSA-N 0 1 375.296 2.596 20 0 GFADMN Nc1ccncc1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000638842049 565214596 /nfs/dbraw/zinc/21/45/96/565214596.db2.gz KLVXDDXYBOSUIN-UHFFFAOYSA-N 0 1 388.265 2.965 20 0 GFADMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000617013567 565219632 /nfs/dbraw/zinc/21/96/32/565219632.db2.gz WWIGISLCAFTVIR-GFCCVEGCSA-N 0 1 392.297 2.893 20 0 GFADMN COc1ccc(CCNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1O ZINC000639048160 565222003 /nfs/dbraw/zinc/22/20/03/565222003.db2.gz YGVIIIHDMPDJEE-SFHVURJKSA-N 0 1 393.281 2.696 20 0 GFADMN COc1ncc(Br)cc1CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000659855453 565227106 /nfs/dbraw/zinc/22/71/06/565227106.db2.gz DZYQTCGXNJYVIW-GRDNDAEWSA-N 0 1 398.345 2.926 20 0 GFADMN CN(C)C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1Br ZINC000660009755 565237682 /nfs/dbraw/zinc/23/76/82/565237682.db2.gz ZYEIHJGPZAAWFL-CQSZACIVSA-N 0 1 375.332 2.695 20 0 GFADMN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2CN(C)C)cc1Cl ZINC000660008454 565237889 /nfs/dbraw/zinc/23/78/89/565237889.db2.gz BUOODBXHAOIADG-LBPRGKRZSA-N 0 1 391.896 2.542 20 0 GFADMN CCCN1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2OCC)C1 ZINC000660026327 565241034 /nfs/dbraw/zinc/24/10/34/565241034.db2.gz FLLMGGANNHGSBJ-ZDUSSCGKSA-N 0 1 391.331 2.610 20 0 GFADMN O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000639435684 565245280 /nfs/dbraw/zinc/24/52/80/565245280.db2.gz YLSKYCZVLDCDSN-DLBZAZTESA-N 0 1 389.323 2.530 20 0 GFADMN CN(CC[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000660083863 565250082 /nfs/dbraw/zinc/25/00/82/565250082.db2.gz VSJGMOMTPJFESH-XIRDDKMYSA-N 0 1 382.551 2.777 20 0 GFADMN FC(F)(F)c1cccnc1CN(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639770931 565258853 /nfs/dbraw/zinc/25/88/53/565258853.db2.gz 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ZINC000660803530 565293953 /nfs/dbraw/zinc/29/39/53/565293953.db2.gz MNINPYOJCIYQJO-CVEARBPZSA-N 0 1 390.281 2.554 20 0 GFADMN COc1ncc(Br)cc1CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803530 565293958 /nfs/dbraw/zinc/29/39/58/565293958.db2.gz MNINPYOJCIYQJO-CVEARBPZSA-N 0 1 390.281 2.554 20 0 GFADMN CN(CC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000618365008 565296120 /nfs/dbraw/zinc/29/61/20/565296120.db2.gz SWMPXBOZWKEEMV-HZPDHXFCSA-N 0 1 399.354 2.786 20 0 GFADMN O=C(NCc1ccccc1N1CCOCC1)c1cccc(Br)c1O ZINC000592849744 565300784 /nfs/dbraw/zinc/30/07/84/565300784.db2.gz YKVZEQCJZXQTLX-UHFFFAOYSA-N 0 1 391.265 2.921 20 0 GFADMN CCc1nc(CNc2ncnc3cc(I)sc32)n[nH]1 ZINC000593474911 565335767 /nfs/dbraw/zinc/33/57/67/565335767.db2.gz DLTHGQYUCXTPFQ-UHFFFAOYSA-N 0 1 386.222 2.589 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2)C[C@@H]1N1CCCC1 ZINC000593584400 565344230 /nfs/dbraw/zinc/34/42/30/565344230.db2.gz NHNVWRMQYZYYED-GJZGRUSLSA-N 0 1 378.922 2.679 20 0 GFADMN O=C1CCCN1C[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000662050412 565347179 /nfs/dbraw/zinc/34/71/79/565347179.db2.gz KBKFEVXWVBAKIQ-LBPRGKRZSA-N 0 1 377.286 2.770 20 0 GFADMN Cc1ccc(Br)cc1Cn1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000641139946 565350148 /nfs/dbraw/zinc/35/01/48/565350148.db2.gz WPOVQDQPDMURED-UHFFFAOYSA-N 0 1 393.285 2.694 20 0 GFADMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)[C@H](C)CO1 ZINC000593805085 565361491 /nfs/dbraw/zinc/36/14/91/565361491.db2.gz BEIWDKTUUJVCSK-MWLCHTKSSA-N 0 1 399.232 2.807 20 0 GFADMN COc1ncc(Br)c(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000641470833 565375874 /nfs/dbraw/zinc/37/58/74/565375874.db2.gz SUTSSYHPRIUISU-JTQLQIEISA-N 0 1 379.262 2.627 20 0 GFADMN COc1ncc(Br)c(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000641470833 565375881 /nfs/dbraw/zinc/37/58/81/565375881.db2.gz SUTSSYHPRIUISU-JTQLQIEISA-N 0 1 379.262 2.627 20 0 GFADMN C[C@H](CNC(=O)c1cc(C(C)(C)N)no1)Oc1ccc(Br)cc1 ZINC000662629921 565379613 /nfs/dbraw/zinc/37/96/13/565379613.db2.gz 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ZINC000620781755 565396094 /nfs/dbraw/zinc/39/60/94/565396094.db2.gz MKEYJOZBLPAVSC-PBHICJAKSA-N 0 1 391.313 2.987 20 0 GFADMN Ic1ccc(OCCN[C@H]2CCCn3ccnc32)cc1 ZINC000594503669 565396731 /nfs/dbraw/zinc/39/67/31/565396731.db2.gz GTPWROWYNIVYFF-AWEZNQCLSA-N 0 1 383.233 2.991 20 0 GFADMN COC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccn1 ZINC000641750705 565397381 /nfs/dbraw/zinc/39/73/81/565397381.db2.gz OLLLKOFFXBGXAJ-INIZCTEOSA-N 0 1 381.270 2.520 20 0 GFADMN C[C@H]1OCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621305538 565418025 /nfs/dbraw/zinc/41/80/25/565418025.db2.gz ANRCCTILSDFBMZ-SKDRFNHKSA-N 0 1 384.242 2.638 20 0 GFADMN C[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000643199939 565423526 /nfs/dbraw/zinc/42/35/26/565423526.db2.gz CQFPQBPZZPSJOG-XKQJLSEDSA-N 0 1 381.314 2.610 20 0 GFADMN CCOc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000643223160 565425389 /nfs/dbraw/zinc/42/53/89/565425389.db2.gz CSPRNHPJVLSNEA-ZDUSSCGKSA-N 0 1 391.331 2.563 20 0 GFADMN 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C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736236100 598959720 /nfs/dbraw/zinc/95/97/20/598959720.db2.gz GWSCBBJAKBWEPW-QLFBSQMISA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736236100 598959721 /nfs/dbraw/zinc/95/97/21/598959721.db2.gz GWSCBBJAKBWEPW-QLFBSQMISA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736236100 598959723 /nfs/dbraw/zinc/95/97/23/598959723.db2.gz GWSCBBJAKBWEPW-QLFBSQMISA-N 0 1 378.484 2.652 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736236100 598959724 /nfs/dbraw/zinc/95/97/24/598959724.db2.gz GWSCBBJAKBWEPW-QLFBSQMISA-N 0 1 378.484 2.652 20 0 GFADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773109 599107647 /nfs/dbraw/zinc/10/76/47/599107647.db2.gz WCDJXZAUQKVGFT-YJBOKZPZSA-N 0 1 393.495 2.757 20 0 GFADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)[NH2+][C@@H](C)c1ccccc1 ZINC000735773109 599107649 /nfs/dbraw/zinc/10/76/49/599107649.db2.gz WCDJXZAUQKVGFT-YJBOKZPZSA-N 0 1 393.495 2.757 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1N1CCN(CCCCOc2ccccc2)CC1 ZINC000737640744 599134213 /nfs/dbraw/zinc/13/42/13/599134213.db2.gz OMPYFVYRMFWBCC-UHFFFAOYSA-N 0 1 396.470 2.987 20 0 GFADMN O=C([O-])C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000819357602 597059556 /nfs/dbraw/zinc/05/95/56/597059556.db2.gz HNTQHUBNAXMMIK-JKSUJKDBSA-N 0 1 379.526 2.856 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000532712746 597077958 /nfs/dbraw/zinc/07/79/58/597077958.db2.gz QGPRLNPWBQNVSN-CQSZACIVSA-N 0 1 390.871 2.710 20 0 GFADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000532712746 597077961 /nfs/dbraw/zinc/07/79/61/597077961.db2.gz QGPRLNPWBQNVSN-CQSZACIVSA-N 0 1 390.871 2.710 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000533202839 597078009 /nfs/dbraw/zinc/07/80/09/597078009.db2.gz PHNLFAXBLSEJOM-WBVHZDCISA-N 0 1 390.480 2.554 20 0 GFADMN c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1([NH+]2CCOCC2)CCCCC1 ZINC000738438294 599256225 /nfs/dbraw/zinc/25/62/25/599256225.db2.gz YCJXQJMUOLMREP-UHFFFAOYSA-N 0 1 393.495 2.862 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nnn[n-]2)C1 ZINC000736227557 598345249 /nfs/dbraw/zinc/34/52/49/598345249.db2.gz LKORNERBJCEJBY-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2nccnc2-c2nn[n-]n2)C1 ZINC000736227557 598345251 /nfs/dbraw/zinc/34/52/51/598345251.db2.gz LKORNERBJCEJBY-HUUCEWRRSA-N 0 1 378.484 2.747 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1OCC(F)F ZINC000737362932 598366997 /nfs/dbraw/zinc/36/69/97/598366997.db2.gz YXICVNCVSVHFRE-UHFFFAOYSA-N 0 1 395.391 2.620 20 0 GFADMN CCCN(C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736472861 598408650 /nfs/dbraw/zinc/40/86/50/598408650.db2.gz UWMVJCCVLDMWDK-UHFFFAOYSA-N 0 1 380.452 2.726 20 0 GFADMN CC(C)CNC(=O)c1cccc(CN(C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000735839397 598459910 /nfs/dbraw/zinc/45/99/10/598459910.db2.gz SLDKDZKDMRLTOY-UHFFFAOYSA-N 0 1 378.480 2.885 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000737187414 598473022 /nfs/dbraw/zinc/47/30/22/598473022.db2.gz RMVDGQNNRIQOLO-LLVKDONJSA-N 0 1 384.465 2.565 20 0 GFADMN CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736440886 598529707 /nfs/dbraw/zinc/52/97/07/598529707.db2.gz HVJNSNRXPXMITM-GXFFZTMASA-N 0 1 376.486 2.778 20 0 GFADMN CCc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc1 ZINC000736690244 598547990 /nfs/dbraw/zinc/54/79/90/598547990.db2.gz IAHXBCFJFBJAJU-UHFFFAOYSA-N 0 1 395.391 2.831 20 0 GFADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1C(F)(F)F ZINC000103059350 598662831 /nfs/dbraw/zinc/66/28/31/598662831.db2.gz XAORRDJESNQZET-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000736750164 598683631 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GFADMN COc1ccc(OC)c(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737109221 598766762 /nfs/dbraw/zinc/76/67/62/598766762.db2.gz GHOKJWATTVKZNF-UHFFFAOYSA-N 0 1 395.463 2.927 20 0 GFADMN C[C@H]1C[C@H]1COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736236214 598785894 /nfs/dbraw/zinc/78/58/94/598785894.db2.gz IPUUMZZZLBCXJR-AAEUAGOBSA-N 0 1 398.423 2.530 20 0 GFADMN C[C@H]1C[C@@H]1COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736236219 598785921 /nfs/dbraw/zinc/78/59/21/598785921.db2.gz IPUUMZZZLBCXJR-WCQYABFASA-N 0 1 398.423 2.530 20 0 GFADMN CCN1CCN(c2ccc(CNc3ccc(Cl)cc3-c3nn[nH]n3)cn2)CC1 ZINC000736569673 598793101 /nfs/dbraw/zinc/79/31/01/598793101.db2.gz SJABXDRCUWPPNI-UHFFFAOYSA-N 0 1 398.902 2.669 20 0 GFADMN COc1ccc(F)cc1CN1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737100295 599308569 /nfs/dbraw/zinc/30/85/69/599308569.db2.gz WAILNSPVGYQWNY-HNNXBMFYSA-N 0 1 396.470 2.893 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000736199126 599310217 /nfs/dbraw/zinc/31/02/17/599310217.db2.gz VSEDXHYVVGJNAE-HNNXBMFYSA-N 0 1 394.454 2.915 20 0 GFADMN Cc1oc(NC(=O)CN[C@H](c2ncccc2C)C(C)C)c(-c2nn[nH]n2)c1C ZINC000737436478 599355752 /nfs/dbraw/zinc/35/57/52/599355752.db2.gz TVCJTYQLIOQZQK-INIZCTEOSA-N 0 1 383.456 2.705 20 0 GFADMN COc1ccc(OCCCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000737109768 599522538 /nfs/dbraw/zinc/52/25/38/599522538.db2.gz MQINHVOTZSQGCF-UHFFFAOYSA-N 0 1 377.404 2.659 20 0 GFADMN CN(CCc1ccc(F)cc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821605227 599567139 /nfs/dbraw/zinc/56/71/39/599567139.db2.gz ZZSSBXBDLXEMPC-UHFFFAOYSA-N 0 1 379.399 2.730 20 0 GFADMN CCc1cc(CNC(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000736676029 599569682 /nfs/dbraw/zinc/56/96/82/599569682.db2.gz OIJAOWVBEHQCNP-UHFFFAOYSA-N 0 1 388.435 2.826 20 0 GFADMN O=C([O-])C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000650506566 599711246 /nfs/dbraw/zinc/71/12/46/599711246.db2.gz QNEUNJYQMVTKKT-SFHVURJKSA-N 0 1 391.537 2.503 20 0 GFADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000650506566 599711249 /nfs/dbraw/zinc/71/12/49/599711249.db2.gz QNEUNJYQMVTKKT-SFHVURJKSA-N 0 1 391.537 2.503 20 0 GFADMN CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC000737149625 599713518 /nfs/dbraw/zinc/71/35/18/599713518.db2.gz XGDIHNUZQQMVOY-KKUMJFAQSA-N 0 1 376.453 2.709 20 0 GFADMN Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738767748 599752717 /nfs/dbraw/zinc/75/27/17/599752717.db2.gz HDIKIRLLRZVQLP-FPOVZHCZSA-N 0 1 378.472 2.822 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000650504344 599754270 /nfs/dbraw/zinc/75/42/70/599754270.db2.gz JDSFTAKRHJVBII-MAUKXSAKSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccccc1[C@H]1CCC[N@H+]1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000738130748 599773835 /nfs/dbraw/zinc/77/38/35/599773835.db2.gz UOBZOXFIBDRKRB-PWDRBQJJSA-N 0 1 376.478 2.724 20 0 GFADMN Cc1nn(-c2ccc(C(=O)N(C)C[C@@H]3CC[N@@H+](C)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896668 599773961 /nfs/dbraw/zinc/77/39/61/599773961.db2.gz UHTOESFRCKSHMW-QGZVFWFLSA-N 0 1 398.507 2.530 20 0 GFADMN C[C@H](CNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)[N@@H+](C)C1CC1 ZINC000736596226 599831184 /nfs/dbraw/zinc/83/11/84/599831184.db2.gz SVGBLOCBVXLOPH-ABAIWWIYSA-N 0 1 398.301 2.747 20 0 GFADMN O=C([O-])c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(F)c1 ZINC000739402392 599836065 /nfs/dbraw/zinc/83/60/65/599836065.db2.gz AKSLFVOJDHWTTD-UHFFFAOYSA-N 0 1 379.432 2.681 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736931918 599841144 /nfs/dbraw/zinc/84/11/44/599841144.db2.gz KKMLWVCLJPGGNM-KXBFYZLASA-N 0 1 393.871 2.784 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000736794134 599864366 /nfs/dbraw/zinc/86/43/66/599864366.db2.gz OAJJVOBYSLLLMD-APWZRJJASA-N 0 1 388.512 2.860 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000737514447 599881192 /nfs/dbraw/zinc/88/11/92/599881192.db2.gz LCYSVGCODCAYBM-LLVKDONJSA-N 0 1 389.374 2.789 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)C1CC1)C(=O)[O-] ZINC000736578277 599950861 /nfs/dbraw/zinc/95/08/61/599950861.db2.gz LAKYFJGEJFUUPQ-RYUDHWBXSA-N 0 1 383.286 2.811 20 0 GFADMN C[N@@H+]([C@@H](C(=O)[O-])c1ccc(F)cc1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000737384090 599962363 /nfs/dbraw/zinc/96/23/63/599962363.db2.gz QWLIAVKQXJCERW-SJLPKXTDSA-N 0 1 388.443 2.808 20 0 GFADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000739561351 599962454 /nfs/dbraw/zinc/96/24/54/599962454.db2.gz ZCTOPYPXJHFSMN-JQFCIGGWSA-N 0 1 393.447 2.739 20 0 GFADMN Cc1oc(CN(C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000738966646 599988668 /nfs/dbraw/zinc/98/86/68/599988668.db2.gz ANWWUMYXPQNNOK-SFHVURJKSA-N 0 1 399.491 2.992 20 0 GFADMN O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3O)cc2)CC1 ZINC000739804269 600066719 /nfs/dbraw/zinc/06/67/19/600066719.db2.gz WHPBMHNSBYSCJZ-UHFFFAOYSA-N 0 1 389.839 2.505 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738236159 600085786 /nfs/dbraw/zinc/08/57/86/600085786.db2.gz LDFPSNGRSYVPGF-GJZGRUSLSA-N 0 1 398.463 2.647 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000738236159 600085789 /nfs/dbraw/zinc/08/57/89/600085789.db2.gz LDFPSNGRSYVPGF-GJZGRUSLSA-N 0 1 398.463 2.647 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)c1C(=O)[O-] ZINC000738230352 600092113 /nfs/dbraw/zinc/09/21/13/600092113.db2.gz QDGXLEVFFKGZIM-DZGCQCFKSA-N 0 1 391.512 2.774 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738089962 600105164 /nfs/dbraw/zinc/10/51/64/600105164.db2.gz FOWUVDLWTGQODZ-INIZCTEOSA-N 0 1 397.475 2.711 20 0 GFADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H](C)C1 ZINC000737168450 600183296 /nfs/dbraw/zinc/18/32/96/600183296.db2.gz VDEDFSNLTPSKKC-CZUORRHYSA-N 0 1 381.448 2.782 20 0 GFADMN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1-c1nn[nH]n1 ZINC000820165455 607430707 /nfs/dbraw/zinc/43/07/07/607430707.db2.gz QGMKZAOWZHZKTH-DLBZAZTESA-N 0 1 399.499 2.744 20 0 GFADMN COc1ccc(Cc2nn(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)c(=S)o2)cc1 ZINC000738015119 600280679 /nfs/dbraw/zinc/28/06/79/600280679.db2.gz FENLPDKVGQTHPW-OAHLLOKOSA-N 0 1 389.477 2.949 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736788257 600303694 /nfs/dbraw/zinc/30/36/94/600303694.db2.gz CLEQDZKTJCKKLG-ZDUSSCGKSA-N 0 1 395.887 2.748 20 0 GFADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738499985 600304937 /nfs/dbraw/zinc/30/49/37/600304937.db2.gz OTNRDTUWJREMAH-GOSISDBHSA-N 0 1 396.491 2.923 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000739716141 600328490 /nfs/dbraw/zinc/32/84/90/600328490.db2.gz CGGFXNPAMVBRFJ-UHFFFAOYSA-N 0 1 392.358 2.609 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000739716141 600328493 /nfs/dbraw/zinc/32/84/93/600328493.db2.gz CGGFXNPAMVBRFJ-UHFFFAOYSA-N 0 1 392.358 2.609 20 0 GFADMN C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736820703 600331165 /nfs/dbraw/zinc/33/11/65/600331165.db2.gz GNSGPFLZEFJSMT-WMZOPIPTSA-N 0 1 389.496 2.698 20 0 GFADMN CN(Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1)C(=O)[O-] ZINC000737479119 600331456 /nfs/dbraw/zinc/33/14/56/600331456.db2.gz UEMFASKQZOLWKR-HXUWFJFHSA-N 0 1 397.475 2.933 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)CN(C)[C@H]3CC[N@H+](C4CC4)C3)c2C(=O)[O-])C1 ZINC000736803048 600336556 /nfs/dbraw/zinc/33/65/56/600336556.db2.gz RXUPGCMDBVHAMU-JSGCOSHPSA-N 0 1 391.537 2.678 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)[C@@H](C)C1 ZINC000737168814 600356405 /nfs/dbraw/zinc/35/64/05/600356405.db2.gz WVMFIQNRJHJNCG-YJBOKZPZSA-N 0 1 392.500 2.713 20 0 GFADMN O=C([O-])c1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000739443073 600397829 /nfs/dbraw/zinc/39/78/29/600397829.db2.gz TVBURDSXYMVIOZ-UHFFFAOYSA-N 0 1 387.411 2.678 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736763559 600404935 /nfs/dbraw/zinc/40/49/35/600404935.db2.gz YXNQNQFZYSTAJQ-FCEWJHQRSA-N 0 1 388.512 2.730 20 0 GFADMN CCCN(C(=O)c1cccc(C(=O)[O-])n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000737009153 600422903 /nfs/dbraw/zinc/42/29/03/600422903.db2.gz PDJGIPLEURDGNE-UHFFFAOYSA-N 0 1 397.479 2.708 20 0 GFADMN O=C([O-])c1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000740159773 600431150 /nfs/dbraw/zinc/43/11/50/600431150.db2.gz DGTQEOZWRLWRLP-QGZVFWFLSA-N 0 1 393.443 2.790 20 0 GFADMN C[NH+](C)CCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737367543 600433316 /nfs/dbraw/zinc/43/33/16/600433316.db2.gz NBAYHKJXKDDLRW-SFHVURJKSA-N 0 1 389.883 2.547 20 0 GFADMN COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738126599 600471699 /nfs/dbraw/zinc/47/16/99/600471699.db2.gz HUCDFHSMHSKLQK-QUCCMNQESA-N 0 1 394.471 2.523 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736808807 600478228 /nfs/dbraw/zinc/47/82/28/600478228.db2.gz JFBIBTHAXBMRQX-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736808807 600478229 /nfs/dbraw/zinc/47/82/29/600478229.db2.gz JFBIBTHAXBMRQX-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN COc1cc(-c2nc(C[N@H+](CCC(=O)[O-])C[C@@H]3CCCO3)cs2)ccc1O ZINC000737846399 600510784 /nfs/dbraw/zinc/51/07/84/600510784.db2.gz XMBCPELLLAWIGF-HNNXBMFYSA-N 0 1 392.477 2.980 20 0 GFADMN COc1cc(-c2nc(C[N@@H+](CCC(=O)[O-])C[C@@H]3CCCO3)cs2)ccc1O ZINC000737846399 600510786 /nfs/dbraw/zinc/51/07/86/600510786.db2.gz XMBCPELLLAWIGF-HNNXBMFYSA-N 0 1 392.477 2.980 20 0 GFADMN O=C([O-])CC[N@H+](Cc1cn2cc(Br)ccc2n1)C[C@H]1CCCO1 ZINC000739723584 600515488 /nfs/dbraw/zinc/51/54/88/600515488.db2.gz NSCNBBYTHHCQLY-CQSZACIVSA-N 0 1 382.258 2.553 20 0 GFADMN C[C@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000736215341 600536235 /nfs/dbraw/zinc/53/62/35/600536235.db2.gz NVLAABBOAVFNHF-QGZVFWFLSA-N 0 1 396.487 2.993 20 0 GFADMN C[C@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736215341 600536237 /nfs/dbraw/zinc/53/62/37/600536237.db2.gz NVLAABBOAVFNHF-QGZVFWFLSA-N 0 1 396.487 2.993 20 0 GFADMN CC[C@](C)([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(=O)[O-] ZINC000736860889 600560952 /nfs/dbraw/zinc/56/09/52/600560952.db2.gz CLHVUQXFRNTAFY-ACJLOTCBSA-N 0 1 375.450 2.862 20 0 GFADMN O=C([O-])COc1cccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000739833289 600639428 /nfs/dbraw/zinc/63/94/28/600639428.db2.gz PSBYSQVLSCCNBS-NRFANRHFSA-N 0 1 382.460 2.993 20 0 GFADMN O=C([O-])[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Cc1ccc(O)cc1 ZINC000739499607 600668228 /nfs/dbraw/zinc/66/82/28/600668228.db2.gz SUTIINVJYCPQRE-TZIWHRDSSA-N 0 1 396.487 2.806 20 0 GFADMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000285113035 600691691 /nfs/dbraw/zinc/69/16/91/600691691.db2.gz PJASQIJYWGWYIL-IBGZPJMESA-N 0 1 390.505 2.837 20 0 GFADMN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000285113042 600691744 /nfs/dbraw/zinc/69/17/44/600691744.db2.gz PJASQIJYWGWYIL-LJQANCHMSA-N 0 1 390.505 2.837 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809547 600715631 /nfs/dbraw/zinc/71/56/31/600715631.db2.gz LXLRUNMGGICXHY-BBRMVZONSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809547 600715633 /nfs/dbraw/zinc/71/56/33/600715633.db2.gz LXLRUNMGGICXHY-BBRMVZONSA-N 0 1 391.468 2.558 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+]3CCC4(CCCC4)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000833004914 600718815 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C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738007020 603278185 /nfs/dbraw/zinc/27/81/85/603278185.db2.gz WQKVKBMYAQHGPP-SFHVURJKSA-N 0 1 385.464 2.918 20 0 GFADMN CN(C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000739640956 603309005 /nfs/dbraw/zinc/30/90/05/603309005.db2.gz IAPPHHVZTRUCNC-OALUTQOASA-N 0 1 388.512 2.682 20 0 GFADMN O=C([O-])NC[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000832408049 603312875 /nfs/dbraw/zinc/31/28/75/603312875.db2.gz NHUDCURUHBREDH-HXUWFJFHSA-N 0 1 381.476 2.602 20 0 GFADMN CCC(CC)[C@H](CNC(=O)c1ccc(C)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000826566239 603315349 /nfs/dbraw/zinc/31/53/49/603315349.db2.gz CBSGIAVBSFKJBU-SFHVURJKSA-N 0 1 377.485 2.952 20 0 GFADMN CCC[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000739359255 603345196 /nfs/dbraw/zinc/34/51/96/603345196.db2.gz VSUJGKCKFSQBCI-QGZVFWFLSA-N 0 1 375.517 2.774 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 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388.512 2.586 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000826066115 603674785 /nfs/dbraw/zinc/67/47/85/603674785.db2.gz BUAJJCVYUBHUEG-BHIYHBOVSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2CNC(=O)[O-])C1 ZINC000825924440 603697022 /nfs/dbraw/zinc/69/70/22/603697022.db2.gz HXNICTGWPUZORK-LPHOPBHVSA-N 0 1 388.512 2.860 20 0 GFADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CCN(C(=O)[O-])CC3)cc2)C1 ZINC000825951125 603765518 /nfs/dbraw/zinc/76/55/18/603765518.db2.gz RLPLHOZHIUGRMT-HNNXBMFYSA-N 0 1 375.469 2.736 20 0 GFADMN CC(=O)Nc1ccc2c(C[N@H+](C)C3CCC(NC(=O)[O-])CC3)cc(=O)oc2c1 ZINC000823611037 603834818 /nfs/dbraw/zinc/83/48/18/603834818.db2.gz KZRJPFFQNRRILQ-UHFFFAOYSA-N 0 1 387.436 2.762 20 0 GFADMN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC000831580292 603878994 /nfs/dbraw/zinc/87/89/94/603878994.db2.gz JPRCMRLLLMSYCB-YQQQUEKLSA-N 0 1 386.496 2.577 20 0 GFADMN 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O=C(CCNC1(c2nccs2)CCCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822969620 606094447 /nfs/dbraw/zinc/09/44/47/606094447.db2.gz UFEVVGFIHRBXCK-UHFFFAOYSA-N 0 1 383.481 2.711 20 0 GFADMN CN(C)[C@H](CNC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1 ZINC000821579699 606115175 /nfs/dbraw/zinc/11/51/75/606115175.db2.gz KXHGHRVCBNKUIR-MRXNPFEDSA-N 0 1 385.859 2.945 20 0 GFADMN CC(C)OCC[NH+]1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820145947 606163961 /nfs/dbraw/zinc/16/39/61/606163961.db2.gz GVNUMFNXLHSRNR-UHFFFAOYSA-N 0 1 381.484 2.716 20 0 GFADMN CC(C)OCC[NH+]1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820145947 606163962 /nfs/dbraw/zinc/16/39/62/606163962.db2.gz GVNUMFNXLHSRNR-UHFFFAOYSA-N 0 1 381.484 2.716 20 0 GFADMN CC(C)N(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000820116048 606187476 /nfs/dbraw/zinc/18/74/76/606187476.db2.gz FCGHPCFDTIWCKU-UHFFFAOYSA-N 0 1 377.514 2.684 20 0 GFADMN CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821189104 606196728 /nfs/dbraw/zinc/19/67/28/606196728.db2.gz HVRPNLBXVJBNSV-CQSZACIVSA-N 0 1 399.499 2.799 20 0 GFADMN CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821189104 606196729 /nfs/dbraw/zinc/19/67/29/606196729.db2.gz HVRPNLBXVJBNSV-CQSZACIVSA-N 0 1 399.499 2.799 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1-c1nn[nH]n1 ZINC000821970485 606295677 /nfs/dbraw/zinc/29/56/77/606295677.db2.gz OKNZVAVFXZOUFY-YPMHNXCESA-N 0 1 396.476 2.707 20 0 GFADMN O=S(=O)(Nc1ccsc1)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823589049 606340163 /nfs/dbraw/zinc/34/01/63/606340163.db2.gz JXXUTJGINCOQKT-UHFFFAOYSA-N 0 1 375.357 2.748 20 0 GFADMN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCCC1 ZINC000821883548 606406454 /nfs/dbraw/zinc/40/64/54/606406454.db2.gz XJSOUORGUWFCIY-MRXNPFEDSA-N 0 1 384.509 2.864 20 0 GFADMN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC000821883548 606406455 /nfs/dbraw/zinc/40/64/55/606406455.db2.gz XJSOUORGUWFCIY-MRXNPFEDSA-N 0 1 384.509 2.864 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000819933166 606412152 /nfs/dbraw/zinc/41/21/52/606412152.db2.gz IJOAVQFREPCRIW-GFCCVEGCSA-N 0 1 378.502 2.807 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000819933166 606412154 /nfs/dbraw/zinc/41/21/54/606412154.db2.gz IJOAVQFREPCRIW-GFCCVEGCSA-N 0 1 378.502 2.807 20 0 GFADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000823104507 606538734 /nfs/dbraw/zinc/53/87/34/606538734.db2.gz YFQIIXCZPVBGOY-QGZVFWFLSA-N 0 1 389.419 2.776 20 0 GFADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823363585 606540294 /nfs/dbraw/zinc/54/02/94/606540294.db2.gz HJLJKVFIGIJJGV-UHFFFAOYSA-N 0 1 386.506 2.729 20 0 GFADMN O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175437 606541781 /nfs/dbraw/zinc/54/17/81/606541781.db2.gz IOGHQSAWAKAYHP-GFCCVEGCSA-N 0 1 388.522 2.632 20 0 GFADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175437 606541783 /nfs/dbraw/zinc/54/17/83/606541783.db2.gz IOGHQSAWAKAYHP-GFCCVEGCSA-N 0 1 388.522 2.632 20 0 GFADMN O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175437 606541785 /nfs/dbraw/zinc/54/17/85/606541785.db2.gz IOGHQSAWAKAYHP-GFCCVEGCSA-N 0 1 388.522 2.632 20 0 GFADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175437 606541787 /nfs/dbraw/zinc/54/17/87/606541787.db2.gz IOGHQSAWAKAYHP-GFCCVEGCSA-N 0 1 388.522 2.632 20 0 GFADMN C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821623606 606545192 /nfs/dbraw/zinc/54/51/92/606545192.db2.gz OBUCMCXJXWUNDE-UHFFFAOYSA-N 0 1 383.481 2.687 20 0 GFADMN C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821623606 606545194 /nfs/dbraw/zinc/54/51/94/606545194.db2.gz OBUCMCXJXWUNDE-UHFFFAOYSA-N 0 1 383.481 2.687 20 0 GFADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000819877368 606713962 /nfs/dbraw/zinc/71/39/62/606713962.db2.gz UTNHQZNLLSZKBE-DZGCQCFKSA-N 0 1 380.427 2.822 20 0 GFADMN C[C@@]1(c2ccccc2)CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000820633368 606718028 /nfs/dbraw/zinc/71/80/28/606718028.db2.gz AUGYNMKZOIJWAM-OXQOHEQNSA-N 0 1 394.504 2.697 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926409 606742314 /nfs/dbraw/zinc/74/23/14/606742314.db2.gz SVVRXYUNGRILDC-ROUUACIJSA-N 0 1 398.536 2.697 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000820926409 606742316 /nfs/dbraw/zinc/74/23/16/606742316.db2.gz SVVRXYUNGRILDC-ROUUACIJSA-N 0 1 398.536 2.697 20 0 GFADMN CC(C)CC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCC1 ZINC000820061494 606784446 /nfs/dbraw/zinc/78/44/46/606784446.db2.gz DITVHQCXRVKJHP-UHFFFAOYSA-N 0 1 399.499 2.597 20 0 GFADMN O=S(=O)(Nc1cc(F)ccc1Cl)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823583066 606866912 /nfs/dbraw/zinc/86/69/12/606866912.db2.gz GOIVZABYNPPZID-UHFFFAOYSA-N 0 1 389.746 2.738 20 0 GFADMN Cc1cccc([C@@H](C)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822288569 606892027 /nfs/dbraw/zinc/89/20/27/606892027.db2.gz BVGHIXRCKBGFPH-NSHDSACASA-N 0 1 393.419 2.535 20 0 GFADMN CC(=O)N1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000819797071 606930751 /nfs/dbraw/zinc/93/07/51/606930751.db2.gz SAKXYUZJUWDGKZ-HNNXBMFYSA-N 0 1 376.464 2.586 20 0 GFADMN CC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1)N(C)C ZINC000820842428 607021499 /nfs/dbraw/zinc/02/14/99/607021499.db2.gz MTXGJHNJKMZFKA-SFHVURJKSA-N 0 1 380.452 2.724 20 0 GFADMN O=c1[nH]nc(SCc2cc(F)ccc2-c2nn[nH]n2)n1CCc1ccccc1 ZINC000823656389 607038409 /nfs/dbraw/zinc/03/84/09/607038409.db2.gz CVIUFVVTFAKBBL-UHFFFAOYSA-N 0 1 397.439 2.838 20 0 GFADMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)n[nH]1 ZINC000822200000 607155045 /nfs/dbraw/zinc/15/50/45/607155045.db2.gz QHMHTOUDPBEECT-CQSZACIVSA-N 0 1 396.499 2.697 20 0 GFADMN CCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825323345 607923362 /nfs/dbraw/zinc/92/33/62/607923362.db2.gz UCPDHYATUGUXSC-KBAYOESNSA-N 0 1 399.495 2.679 20 0 GFADMN CCC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000825323345 607923363 /nfs/dbraw/zinc/92/33/63/607923363.db2.gz UCPDHYATUGUXSC-KBAYOESNSA-N 0 1 399.495 2.679 20 0 GFADMN CCN(CC)[C@@H](C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21)c1ccccc1 ZINC000825405443 607948619 /nfs/dbraw/zinc/94/86/19/607948619.db2.gz AXKVYEQCZSCHFW-LJQANCHMSA-N 0 1 376.464 2.839 20 0 GFADMN COc1cc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)c(Br)cc1O ZINC000826167165 607974272 /nfs/dbraw/zinc/97/42/72/607974272.db2.gz RWMAYOLMXHZLIP-UHFFFAOYSA-N 0 1 387.197 2.887 20 0 GFADMN Cc1c(CNCc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)cnn1C ZINC000826236366 607976494 /nfs/dbraw/zinc/97/64/94/607976494.db2.gz JCZWHHKPPZJHQT-UHFFFAOYSA-N 0 1 389.463 2.777 20 0 GFADMN O=S(=O)(Nc1cncc2ccccc21)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826493167 607982950 /nfs/dbraw/zinc/98/29/50/607982950.db2.gz WTODUAUGJYYHTE-UHFFFAOYSA-N 0 1 386.824 2.869 20 0 GFADMN CCc1nc([C@H](C)Nc2cc(C)c(-c3nn[nH]n3)c3nc4ccccc4n32)n[nH]1 ZINC000825744586 608099531 /nfs/dbraw/zinc/09/95/31/608099531.db2.gz DDPRHYYZTTUYQA-NSHDSACASA-N 0 1 388.439 2.830 20 0 GFADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826402539 608249248 /nfs/dbraw/zinc/24/92/48/608249248.db2.gz WNLRCMVKHXYKPU-ZNFPLGDCSA-N 0 1 379.420 2.681 20 0 GFADMN C[C@@H]1CN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000824970420 608310840 /nfs/dbraw/zinc/31/08/40/608310840.db2.gz XCVLUCZXSZXLTI-SJORKVTESA-N 0 1 390.491 2.531 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826332369 608313356 /nfs/dbraw/zinc/31/33/56/608313356.db2.gz RNIGEIMJDDDKGJ-UHFFFAOYSA-N 0 1 383.500 2.591 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](CCCO)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826332369 608313358 /nfs/dbraw/zinc/31/33/58/608313358.db2.gz RNIGEIMJDDDKGJ-UHFFFAOYSA-N 0 1 383.500 2.591 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826332369 608313360 /nfs/dbraw/zinc/31/33/60/608313360.db2.gz RNIGEIMJDDDKGJ-UHFFFAOYSA-N 0 1 383.500 2.591 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+](CCCO)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826332369 608313362 /nfs/dbraw/zinc/31/33/62/608313362.db2.gz RNIGEIMJDDDKGJ-UHFFFAOYSA-N 0 1 383.500 2.591 20 0 GFADMN COC[C@@H](NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150429 608314122 /nfs/dbraw/zinc/31/41/22/608314122.db2.gz DQFFPIFPWCTZFC-MRXNPFEDSA-N 0 1 375.379 2.631 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332266 608318561 /nfs/dbraw/zinc/31/85/61/608318561.db2.gz OXKXXINUWXGSMY-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826332266 608318563 /nfs/dbraw/zinc/31/85/63/608318563.db2.gz OXKXXINUWXGSMY-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332266 608318564 /nfs/dbraw/zinc/31/85/64/608318564.db2.gz OXKXXINUWXGSMY-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826332266 608318566 /nfs/dbraw/zinc/31/85/66/608318566.db2.gz OXKXXINUWXGSMY-QGZVFWFLSA-N 0 1 393.495 2.609 20 0 GFADMN COCCN(CCOc1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826158499 608394059 /nfs/dbraw/zinc/39/40/59/608394059.db2.gz RRCRWIXURQAGHX-UHFFFAOYSA-N 0 1 389.406 2.672 20 0 GFADMN CCN(C[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1)CC(F)(F)F ZINC000825417109 608399425 /nfs/dbraw/zinc/39/94/25/608399425.db2.gz ONSLECAAUIETEF-GFCCVEGCSA-N 0 1 386.397 2.712 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1)CC(F)(F)F ZINC000825417109 608399427 /nfs/dbraw/zinc/39/94/27/608399427.db2.gz ONSLECAAUIETEF-GFCCVEGCSA-N 0 1 386.397 2.712 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564425 608460839 /nfs/dbraw/zinc/46/08/39/608460839.db2.gz SYPIHSPNWCQHCE-OAHLLOKOSA-N 0 1 391.479 2.756 20 0 GFADMN O[C@@H](CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000826502512 608463483 /nfs/dbraw/zinc/46/34/83/608463483.db2.gz FHGWMLNXRVHMNJ-IBGZPJMESA-N 0 1 383.402 2.968 20 0 GFADMN C[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562223 608464992 /nfs/dbraw/zinc/46/49/92/608464992.db2.gz CZGAYGBZBOIENG-LLVKDONJSA-N 0 1 395.448 2.873 20 0 GFADMN O[C@H](COc1ccccc1F)CN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826505353 608468480 /nfs/dbraw/zinc/46/84/80/608468480.db2.gz TXMFTEQHFZQUSG-SFHVURJKSA-N 0 1 395.438 2.535 20 0 GFADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826321864 608484678 /nfs/dbraw/zinc/48/46/78/608484678.db2.gz SCRWMXNNCPHREA-UHFFFAOYSA-N 0 1 377.452 2.951 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826514824 608511641 /nfs/dbraw/zinc/51/16/41/608511641.db2.gz DTOCVJVOAIIGSK-ZDUSSCGKSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nnn[n-]2)sc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826514824 608511643 /nfs/dbraw/zinc/51/16/43/608511643.db2.gz DTOCVJVOAIIGSK-ZDUSSCGKSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826514824 608511645 /nfs/dbraw/zinc/51/16/45/608511645.db2.gz DTOCVJVOAIIGSK-ZDUSSCGKSA-N 0 1 384.513 2.626 20 0 GFADMN c1cc(-c2nn[n-]n2)sc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000826514824 608511648 /nfs/dbraw/zinc/51/16/48/608511648.db2.gz DTOCVJVOAIIGSK-ZDUSSCGKSA-N 0 1 384.513 2.626 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NC1(c2ccccc2)CCC1 ZINC000826412238 608530031 /nfs/dbraw/zinc/53/00/31/608530031.db2.gz HMFCARNYCIBIKO-UHFFFAOYSA-N 0 1 388.475 2.641 20 0 GFADMN C[C@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1Cl ZINC000824477658 608533198 /nfs/dbraw/zinc/53/31/98/608533198.db2.gz BRVLLOXZCBBPTM-ZDUSSCGKSA-N 0 1 396.882 2.976 20 0 GFADMN C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)CN1C ZINC000824974708 608597119 /nfs/dbraw/zinc/59/71/19/608597119.db2.gz DHLOLGFIBNFXPM-GJZGRUSLSA-N 0 1 392.463 2.824 20 0 GFADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000825825481 608659970 /nfs/dbraw/zinc/65/99/70/608659970.db2.gz DUAYKNLMBWTZLU-GFCCVEGCSA-N 0 1 378.502 2.760 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000824507204 608674138 /nfs/dbraw/zinc/67/41/38/608674138.db2.gz VJWXJENZKGPFRD-GFCCVEGCSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983544 608700909 /nfs/dbraw/zinc/70/09/09/608700909.db2.gz BLLZMJVVDAZMEU-DGCLKSJQSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983544 608700913 /nfs/dbraw/zinc/70/09/13/608700913.db2.gz BLLZMJVVDAZMEU-DGCLKSJQSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824983544 608700914 /nfs/dbraw/zinc/70/09/14/608700914.db2.gz BLLZMJVVDAZMEU-DGCLKSJQSA-N 0 1 378.502 2.663 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC[C@H]1NC(=O)OC(C)(C)C 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CCc1[nH]nc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)c1Br ZINC000329549922 563482841 /nfs/dbraw/zinc/48/28/41/563482841.db2.gz COUWHNIKKQHMGZ-ZUZCIYMTSA-N 0 1 382.262 2.710 20 0 GFADMN Cn1nccc1[C@H]1[C@H](NCc2ccc(F)cc2Br)CCC(=O)N1C ZINC000284633482 563483470 /nfs/dbraw/zinc/48/34/70/563483470.db2.gz UCPZGZVUKLDGED-RHSMWYFYSA-N 0 1 395.276 2.773 20 0 GFADMN CCCOc1c(Br)cc(CN2CC[C@H](CC(N)=O)C2)cc1OC ZINC000377847003 563488654 /nfs/dbraw/zinc/48/86/54/563488654.db2.gz IHZUFGMHPVGJAG-GFCCVEGCSA-N 0 1 385.302 2.944 20 0 GFADMN CSc1nc(=O)[nH]c(C)c1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000377941029 563491882 /nfs/dbraw/zinc/49/18/82/563491882.db2.gz AAGBNBKPWDOEGU-BXUZGUMPSA-N 0 1 378.523 2.697 20 0 GFADMN CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000377941029 563491883 /nfs/dbraw/zinc/49/18/83/563491883.db2.gz AAGBNBKPWDOEGU-BXUZGUMPSA-N 0 1 378.523 2.697 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1ccsc1 ZINC000284860145 563492762 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OC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429016000 563507948 /nfs/dbraw/zinc/50/79/48/563507948.db2.gz AIRAOGPZAOZUEU-CXAGYDPISA-N 0 1 384.245 2.651 20 0 GFADMN CC(C)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000330509562 563508794 /nfs/dbraw/zinc/50/87/94/563508794.db2.gz JARFSHXMTAXFMV-OAHLLOKOSA-N 0 1 387.977 2.625 20 0 GFADMN CNS(=O)(=O)[C@H]1CCN(CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000378489179 563509079 /nfs/dbraw/zinc/50/90/79/563509079.db2.gz AGRVLYZTFGVZGB-ZDUSSCGKSA-N 0 1 385.942 2.604 20 0 GFADMN Cc1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(Br)c2)n[nH]1 ZINC000285286160 563512606 /nfs/dbraw/zinc/51/26/06/563512606.db2.gz GACCWZDDRFZFQU-LURJTMIESA-N 0 1 379.667 2.569 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cc(Br)ccc1F ZINC000330609184 563513475 /nfs/dbraw/zinc/51/34/75/563513475.db2.gz NMSLQKREUSBBQK-KBPBESRZSA-N 0 1 379.295 2.538 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000330800955 563521474 /nfs/dbraw/zinc/52/14/74/563521474.db2.gz 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2.958 20 0 GFADMN COc1cc(C)c(Br)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000286244858 563553762 /nfs/dbraw/zinc/55/37/62/563553762.db2.gz UFOAVCUEQTVVKD-UHFFFAOYSA-N 0 1 397.313 2.703 20 0 GFADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431124887 563554421 /nfs/dbraw/zinc/55/44/21/563554421.db2.gz LVCQZTVYHVMLBJ-XJKSGUPXSA-N 0 1 380.838 2.958 20 0 GFADMN CC[S@](=O)[C@H]1CCC[C@H](NCc2ncc(I)s2)C1 ZINC000286515357 563563412 /nfs/dbraw/zinc/56/34/12/563563412.db2.gz NADCXGKUDDVNHJ-RAALSFIWSA-N 0 1 398.335 2.917 20 0 GFADMN CC(=O)N[C@@H](C)C1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000331919038 563567074 /nfs/dbraw/zinc/56/70/74/563567074.db2.gz BSIJJVPMZBWVGY-JTQLQIEISA-N 0 1 393.285 2.702 20 0 GFADMN Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1Br ZINC000332049611 563573567 /nfs/dbraw/zinc/57/35/67/563573567.db2.gz MONWTQLUKWUVNJ-CZUORRHYSA-N 0 1 394.313 2.557 20 0 GFADMN Cc1cc(I)cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c1C ZINC000332106648 563577113 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O=c1c(Cl)c(NCCc2nc[nH]n2)cnn1-c1ccc(Cl)cc1Cl ZINC000433414712 563612103 /nfs/dbraw/zinc/61/21/03/563612103.db2.gz YBLXRPPTEZJEEG-UHFFFAOYSA-N 0 1 385.642 2.965 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)sc1Cl ZINC000433623033 563616572 /nfs/dbraw/zinc/61/65/72/563616572.db2.gz STZFLAXELVKMPW-MRVPVSSYSA-N 0 1 399.763 2.927 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)sc1Cl ZINC000433623033 563616574 /nfs/dbraw/zinc/61/65/74/563616574.db2.gz STZFLAXELVKMPW-MRVPVSSYSA-N 0 1 399.763 2.927 20 0 GFADMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000433664175 563617974 /nfs/dbraw/zinc/61/79/74/563617974.db2.gz MYCSMHZDIUZICF-UHFFFAOYSA-N 0 1 387.752 2.880 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1C)c1ccsc1 ZINC000433882277 563622719 /nfs/dbraw/zinc/62/27/19/563622719.db2.gz KNZZVOJUZORDBI-CQSZACIVSA-N 0 1 389.882 2.911 20 0 GFADMN Cn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000333167663 563622756 /nfs/dbraw/zinc/62/27/56/563622756.db2.gz NBOBSJNCMIOXGK-OAHLLOKOSA-N 0 1 379.873 2.866 20 0 GFADMN Cc1nc(Cl)ccc1C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000288048237 563626970 /nfs/dbraw/zinc/62/69/70/563626970.db2.gz DXFDVYQCZLQTMO-FWDPORAESA-N 0 1 377.794 2.961 20 0 GFADMN O=C(NCC1(N2CCSCC2)CCCC1)c1ncsc1Br ZINC000288122426 563630070 /nfs/dbraw/zinc/63/00/70/563630070.db2.gz WOWBBUMEPPDJRH-UHFFFAOYSA-N 0 1 390.372 2.997 20 0 GFADMN COc1cc2nccc(N3CC[C@]4(CNC(=O)C4)C3)c2cc1Br ZINC000333469303 563633477 /nfs/dbraw/zinc/63/34/77/563633477.db2.gz NGWCMRBAMQULNI-KRWDZBQOSA-N 0 1 376.254 2.722 20 0 GFADMN Cc1cc(CC(C)(C)NCc2nc(N)nc(N(C)C)n2)ccc1Br ZINC000411761226 563633739 /nfs/dbraw/zinc/63/37/39/563633739.db2.gz UPXVYNFSZPWWTG-UHFFFAOYSA-N 0 1 393.333 2.702 20 0 GFADMN COC[C@H](NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000434796706 563638491 /nfs/dbraw/zinc/63/84/91/563638491.db2.gz RHOIEZRLCFUVOT-UVBJJODRSA-N 0 1 375.296 2.954 20 0 GFADMN COC[C@H](NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000434796705 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UAPZEZKFGURKQG-UHFFFAOYSA-N 0 1 379.302 2.866 20 0 GFADMN C[S@](=O)C1(CNCc2ccc(F)cc2I)CCC1 ZINC000418051269 563896871 /nfs/dbraw/zinc/89/68/71/563896871.db2.gz YBRWSYKYOMRYQU-SFHVURJKSA-N 0 1 381.254 2.821 20 0 GFADMN COCCNC(=O)[C@H](CC(C)C)NCc1cc(F)cc(Br)c1 ZINC000449206746 563908193 /nfs/dbraw/zinc/90/81/93/563908193.db2.gz BENIASDUSFDKBN-HNNXBMFYSA-N 0 1 375.282 2.855 20 0 GFADMN CC[C@H](Cc1ccccc1Br)N(C)Cc1cn(CC(=O)OC)nn1 ZINC000449255688 564177985 /nfs/dbraw/zinc/17/79/85/564177985.db2.gz GCJYBOZNTJSWRD-OAHLLOKOSA-N 0 1 395.301 2.667 20 0 GFADMN O=C(c1ccn(-c2ccc(Br)cc2)n1)N1CCN2CCC1CC2 ZINC000505405309 564182107 /nfs/dbraw/zinc/18/21/07/564182107.db2.gz UFCVTOFGEAELTQ-UHFFFAOYSA-N 0 1 375.270 2.555 20 0 GFADMN COc1sc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Br ZINC000449432318 564185868 /nfs/dbraw/zinc/18/58/68/564185868.db2.gz GTSZPJIBQNXYTG-JTNHKYCSSA-N 0 1 376.316 2.881 20 0 GFADMN CC[C@@H](CNS(C)(=O)=O)NCc1cc(Br)c(Cl)s1 ZINC000449442118 564186794 /nfs/dbraw/zinc/18/67/94/564186794.db2.gz JPZQYJZEKJVXCX-ZETCQYMHSA-N 0 1 375.741 2.581 20 0 GFADMN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1[nH]ncc1C ZINC000449461700 564187822 /nfs/dbraw/zinc/18/78/22/564187822.db2.gz QRNBEHPKHXGLSX-HNNXBMFYSA-N 0 1 382.258 2.835 20 0 GFADMN CN(C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1cccs1 ZINC000505704617 564188599 /nfs/dbraw/zinc/18/85/99/564188599.db2.gz FFSOLWDUJNMNDF-FRRDWIJNSA-N 0 1 379.448 2.553 20 0 GFADMN COc1cc(C)c(Br)cc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000506010948 564193880 /nfs/dbraw/zinc/19/38/80/564193880.db2.gz WPKCMEMSCXHJAN-CQSZACIVSA-N 0 1 399.329 2.853 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCO1 ZINC000538810564 564202227 /nfs/dbraw/zinc/20/22/27/564202227.db2.gz TZJOPUCZZAIUDG-GWCFXTLKSA-N 0 1 394.273 2.601 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCO1 ZINC000538810564 564202234 /nfs/dbraw/zinc/20/22/34/564202234.db2.gz TZJOPUCZZAIUDG-GWCFXTLKSA-N 0 1 394.273 2.601 20 0 GFADMN Cc1nc(S(=O)(=O)NCc2cnc(C3CC3)o2)sc1Br ZINC000563681347 564202350 /nfs/dbraw/zinc/20/23/50/564202350.db2.gz NIGGOWUTOAWTSA-UHFFFAOYSA-N 0 1 378.273 2.558 20 0 GFADMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cc(Cl)c(F)cc1Br ZINC000449927457 564209720 /nfs/dbraw/zinc/20/97/20/564209720.db2.gz OMOCQNWTHPUHFE-UHFFFAOYSA-N 0 1 388.628 2.954 20 0 GFADMN COc1cc(Br)c(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1OC ZINC000449959344 564210503 /nfs/dbraw/zinc/21/05/03/564210503.db2.gz LIRGVNMHAUBSCK-AWEZNQCLSA-N 0 1 385.302 2.879 20 0 GFADMN Cc1nc([C@H]2CN(C(=O)CCc3cccc(F)c3Br)CCO2)n[nH]1 ZINC000449981232 564211765 /nfs/dbraw/zinc/21/17/65/564211765.db2.gz MSQLFWFFYULJOU-CYBMUJFWSA-N 0 1 397.248 2.547 20 0 GFADMN CCc1nc([C@H]2CN(C(=O)c3cc(Br)c(C)cc3C)CCO2)n[nH]1 ZINC000449983061 564211954 /nfs/dbraw/zinc/21/19/54/564211954.db2.gz YOYBIJSIMGBHAQ-CQSZACIVSA-N 0 1 393.285 2.960 20 0 GFADMN COC(=O)CCN1CCN(Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000539318684 564215874 /nfs/dbraw/zinc/21/58/74/564215874.db2.gz IXMKHGGESVCUII-ZDUSSCGKSA-N 0 1 385.302 2.527 20 0 GFADMN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(c2cnc[nH]2)CC1 ZINC000472246682 564217203 /nfs/dbraw/zinc/21/72/03/564217203.db2.gz JAIYWCAQTPFSLA-INIZCTEOSA-N 0 1 376.254 2.882 20 0 GFADMN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000539623864 564224484 /nfs/dbraw/zinc/22/44/84/564224484.db2.gz UQSONMVCUFLCKU-GRYCIOLGSA-N 0 1 393.336 2.583 20 0 GFADMN C[C@]1(CO)CCC[C@@H]1NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000472619833 564229836 /nfs/dbraw/zinc/22/98/36/564229836.db2.gz SKDPNXAODLCRIN-FUHWJXTLSA-N 0 1 380.535 2.854 20 0 GFADMN COc1nc(N2CCN(C[C@@H]3CCC(F)(F)C3)CC2)ncc1Br ZINC000450476143 564234920 /nfs/dbraw/zinc/23/49/20/564234920.db2.gz NFMPAOZGKLYGST-LLVKDONJSA-N 0 1 391.260 2.805 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@H](C)CN1C ZINC000450541621 564237613 /nfs/dbraw/zinc/23/76/13/564237613.db2.gz RKJRLVYKONFUCF-CHWSQXEVSA-N 0 1 377.286 2.799 20 0 GFADMN CC1(C)C[C@H]1CNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000540099155 564240204 /nfs/dbraw/zinc/24/02/04/564240204.db2.gz PSGRKQVGUGGNMJ-VIFPVBQESA-N 0 1 396.228 2.909 20 0 GFADMN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2I)C1 ZINC000540157909 564241039 /nfs/dbraw/zinc/24/10/39/564241039.db2.gz MNEOJQRZNLSXCU-RYUDHWBXSA-N 0 1 387.265 2.746 20 0 GFADMN C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)c(F)c1 ZINC000540183528 564241124 /nfs/dbraw/zinc/24/11/24/564241124.db2.gz ZXEHNOOOZKSKCJ-JSGCOSHPSA-N 0 1 378.897 2.618 20 0 GFADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1nnc(C)[nH]1 ZINC000540243256 564243497 /nfs/dbraw/zinc/24/34/97/564243497.db2.gz RVKLZDWCMNOIJS-XPTSAGLGSA-N 0 1 399.314 2.860 20 0 GFADMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1nc(C)n[nH]1 ZINC000540243256 564243502 /nfs/dbraw/zinc/24/35/02/564243502.db2.gz RVKLZDWCMNOIJS-XPTSAGLGSA-N 0 1 399.314 2.860 20 0 GFADMN C[C@H](NC[C@H]1CS(=O)(=O)CCO1)c1cc2cc(Br)ccc2o1 ZINC000540609404 564252190 /nfs/dbraw/zinc/25/21/90/564252190.db2.gz SEAKECSAWBUXLT-GWCFXTLKSA-N 0 1 388.283 2.660 20 0 GFADMN O=S1(=O)CCCN1CCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540589180 564252577 /nfs/dbraw/zinc/25/25/77/564252577.db2.gz QMAWKZWJSLZFAT-UHFFFAOYSA-N 0 1 392.352 2.541 20 0 GFADMN CN(C)c1noc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000540769133 564256788 /nfs/dbraw/zinc/25/67/88/564256788.db2.gz OHPMNESEULIFOJ-UHFFFAOYSA-N 0 1 381.259 2.976 20 0 GFADMN COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473947915 564259635 /nfs/dbraw/zinc/25/96/35/564259635.db2.gz WIHSIRQQHLAEPN-ZCFIWIBFSA-N 0 1 398.161 2.905 20 0 GFADMN CN(CCC[NH+]1CCCC1)C(=O)c1ccc(I)c([O-])c1 ZINC000508398416 564262458 /nfs/dbraw/zinc/26/24/58/564262458.db2.gz BFNAKEANJRLSPL-UHFFFAOYSA-N 0 1 388.249 2.555 20 0 GFADMN CS(=O)(=O)N1CC[C@H](CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000451021346 564264429 /nfs/dbraw/zinc/26/44/29/564264429.db2.gz PJCAOPYOPWJJQM-WBMJQRKESA-N 0 1 382.917 2.635 20 0 GFADMN C[C@H](C[N@@H+](C)CCc1cn(CC(=O)[O-])nn1)Oc1ccc(Cl)c(Cl)c1 ZINC000565106467 564266692 /nfs/dbraw/zinc/26/66/92/564266692.db2.gz QGFBTIBQMSRTCQ-LLVKDONJSA-N 0 1 387.267 2.611 20 0 GFADMN C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000565153999 564267399 /nfs/dbraw/zinc/26/73/99/564267399.db2.gz PCHYISKPMIHLPH-BGJPBQGDSA-N 0 1 396.310 2.822 20 0 GFADMN O=S(=O)(C[C@H]1CCCC1(F)F)NCC1(N2CCSCC2)CCCC1 ZINC000451049734 564267746 /nfs/dbraw/zinc/26/77/46/564267746.db2.gz NZADDJPTLUZEGD-CQSZACIVSA-N 0 1 382.542 2.703 20 0 GFADMN COc1ccc(Br)c(-c2nnc(N3CCN(C(C)C)CC3)n2C)c1 ZINC000508589456 564267808 /nfs/dbraw/zinc/26/78/08/564267808.db2.gz FHGZUYFNOYCEJM-UHFFFAOYSA-N 0 1 394.317 2.784 20 0 GFADMN Cc1c2cccc(Br)c2oc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000541152373 564267796 /nfs/dbraw/zinc/26/77/96/564267796.db2.gz VMJUIJKWFICQCE-GFCCVEGCSA-N 0 1 394.313 2.869 20 0 GFADMN COC(=O)COc1ccc(CN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000541215372 564269712 /nfs/dbraw/zinc/26/97/12/564269712.db2.gz XVJVRRWVOLYNIS-QGZVFWFLSA-N 0 1 394.265 2.824 20 0 GFADMN Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1Br ZINC000474200023 564269754 /nfs/dbraw/zinc/26/97/54/564269754.db2.gz SZFQXQFUCKYPPF-AWEZNQCLSA-N 0 1 383.330 2.604 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000565190856 564269820 /nfs/dbraw/zinc/26/98/20/564269820.db2.gz IINGZWHTITZUGX-BMIGLBTASA-N 0 1 381.263 2.817 20 0 GFADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(F)c(F)cc1Br ZINC000474218068 564270450 /nfs/dbraw/zinc/27/04/50/564270450.db2.gz YZNKKXXZILCBNA-SNVBAGLBSA-N 0 1 391.256 2.645 20 0 GFADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC000451096423 564274083 /nfs/dbraw/zinc/27/40/83/564274083.db2.gz ODHLHRCMCZHYOQ-UHFFFAOYSA-N 0 1 387.454 2.655 20 0 GFADMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(CC)c1ccc(OC)cc1 ZINC000451125443 564277977 /nfs/dbraw/zinc/27/79/77/564277977.db2.gz MEYIXPRFIRFMLP-CYBMUJFWSA-N 0 1 383.388 2.735 20 0 GFADMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000509074615 564280467 /nfs/dbraw/zinc/28/04/67/564280467.db2.gz KXRQLVGOHHRUCZ-UHFFFAOYSA-N 0 1 383.491 2.657 20 0 GFADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000509094241 564281286 /nfs/dbraw/zinc/28/12/86/564281286.db2.gz BKHVLBFAFRNCQL-UHFFFAOYSA-N 0 1 394.396 2.613 20 0 GFADMN C[C@@]1(CCC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCC(=O)N1 ZINC000541515721 564281329 /nfs/dbraw/zinc/28/13/29/564281329.db2.gz WWSDUIQTYNESNV-MRXNPFEDSA-N 0 1 392.257 2.622 20 0 GFADMN C[C@@H]1CN(CC2CCN(S(=O)(=O)c3sccc3Cl)CC2)C[C@@H](C)O1 ZINC000451159218 564281926 /nfs/dbraw/zinc/28/19/26/564281926.db2.gz PKWXDBFJABOBDW-CHWSQXEVSA-N 0 1 392.974 2.911 20 0 GFADMN CN(CCO)Cc1cc(NCc2cccc(S(C)(=O)=O)c2)ccc1Cl ZINC000451172744 564282228 /nfs/dbraw/zinc/28/22/28/564282228.db2.gz XGJADEZSZNCMNS-UHFFFAOYSA-N 0 1 382.913 2.780 20 0 GFADMN COC[C@H](C)CS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000474584108 564282491 /nfs/dbraw/zinc/28/24/91/564282491.db2.gz GDGWCVGWFGVXDX-INIZCTEOSA-N 0 1 388.961 2.850 20 0 GFADMN O=S(=O)(CC1CC(F)(F)C1)NCC1(N2CCSCC2)CCCCC1 ZINC000451186520 564284204 /nfs/dbraw/zinc/28/42/04/564284204.db2.gz BTBLUQVWDJOICB-UHFFFAOYSA-N 0 1 382.542 2.703 20 0 GFADMN O=C(NCCN1CC=CCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000565610752 564288522 /nfs/dbraw/zinc/28/85/22/564288522.db2.gz QLGLMBZVNBVDDJ-HNNXBMFYSA-N 0 1 380.286 2.834 20 0 GFADMN CC(C)(NC(=O)c1csc(-c2cc(Br)cs2)n1)c1nn[nH]n1 ZINC000475015012 564297383 /nfs/dbraw/zinc/29/73/83/564297383.db2.gz LCMWXLJVIKXHLV-UHFFFAOYSA-N 0 1 399.299 2.812 20 0 GFADMN C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C)CN1C ZINC000509433378 564299415 /nfs/dbraw/zinc/29/94/15/564299415.db2.gz UNFHQBZMYTUTKA-OLZOCXBDSA-N 0 1 379.302 2.947 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000509461855 564300508 /nfs/dbraw/zinc/30/05/08/564300508.db2.gz FNQAGTQUMSDEIE-MWLCHTKSSA-N 0 1 395.308 2.541 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000509461855 564300511 /nfs/dbraw/zinc/30/05/11/564300511.db2.gz FNQAGTQUMSDEIE-MWLCHTKSSA-N 0 1 395.308 2.541 20 0 GFADMN Cc1nc2ccc(Br)cn2c1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000475120816 564300787 /nfs/dbraw/zinc/30/07/87/564300787.db2.gz PVJPTPFFFWPFHA-UHFFFAOYSA-N 0 1 398.224 2.838 20 0 GFADMN COC[C@@]1(C(=O)OC)CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000451341531 564302744 /nfs/dbraw/zinc/30/27/44/564302744.db2.gz LZRIKRBFXIRCKP-MRXNPFEDSA-N 0 1 383.242 2.602 20 0 GFADMN COC(=O)c1ncccc1S(=O)(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000451388351 564307305 /nfs/dbraw/zinc/30/73/05/564307305.db2.gz KCQIKUQQXGXIKL-CYBMUJFWSA-N 0 1 380.388 2.658 20 0 GFADMN CCc1nc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n[nH]1 ZINC000566054416 564307750 /nfs/dbraw/zinc/30/77/50/564307750.db2.gz SNHOGIDJXZLHEA-LLVKDONJSA-N 0 1 383.283 2.752 20 0 GFADMN COc1cccc(C[C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)n1 ZINC000475438216 564308396 /nfs/dbraw/zinc/30/83/96/564308396.db2.gz FSALZGZOLFGONE-BZNIZROVSA-N 0 1 378.270 2.600 20 0 GFADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc3ncsc3c2)o1 ZINC000475585182 564313548 /nfs/dbraw/zinc/31/35/48/564313548.db2.gz JQVWDEJSTNVQAM-UHFFFAOYSA-N 0 1 379.507 2.950 20 0 GFADMN COc1ccccc1[C@@H](CNc1cc(Br)cnc1C(N)=O)N(C)C ZINC000542467918 564315675 /nfs/dbraw/zinc/31/56/75/564315675.db2.gz CSORBZYDJUFSGC-CQSZACIVSA-N 0 1 393.285 2.666 20 0 GFADMN [NH3+]C1C[C@H]2CC[C@@H](C1)C2[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000566224148 564317313 /nfs/dbraw/zinc/31/73/13/564317313.db2.gz GMEXQFHBJURCHW-FIMLBJSESA-N 0 1 395.269 2.522 20 0 GFADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(CN3CCN(C)CC3)c(Br)c2)CO1 ZINC000475755109 564318554 /nfs/dbraw/zinc/31/85/54/564318554.db2.gz GKPXYDXYAAXZOZ-UKRRQHHQSA-N 0 1 396.329 2.560 20 0 GFADMN COc1cc(CNCc2ccc3c(c2)C(=O)NCC3)cc(Br)c1O ZINC000542717100 564322799 /nfs/dbraw/zinc/32/27/99/564322799.db2.gz CDDGKWMXEAGUCN-UHFFFAOYSA-N 0 1 391.265 2.739 20 0 GFADMN O=C([O-])C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cc1ccccc1 ZINC000566367454 564324838 /nfs/dbraw/zinc/32/48/38/564324838.db2.gz PMBXHEVBLOVLQM-QGZVFWFLSA-N 0 1 378.266 2.939 20 0 GFADMN CS(=O)(=O)c1nnc(CSc2nc(C=Cc3ccccc3)n[nH]2)s1 ZINC000475975011 564325289 /nfs/dbraw/zinc/32/52/89/564325289.db2.gz ISYIWRZCMJDVSA-BQYQJAHWSA-N 0 1 379.492 2.522 20 0 GFADMN O=C1NCCN1Cc1ccccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000510100573 564325373 /nfs/dbraw/zinc/32/53/73/564325373.db2.gz BGPJDWFIIWODSX-UHFFFAOYSA-N 0 1 383.832 2.805 20 0 GFADMN COc1cc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccn1 ZINC000451568969 564326265 /nfs/dbraw/zinc/32/62/65/564326265.db2.gz SAEBBPWVTQOZNR-SECBINFHSA-N 0 1 376.356 2.854 20 0 GFADMN CN(CCNC(=O)C(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000510499597 564335662 /nfs/dbraw/zinc/33/56/62/564335662.db2.gz HCVOPNQRCJMSLW-UHFFFAOYSA-N 0 1 375.266 2.880 20 0 GFADMN C[C@@H](NC(=O)CN1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000451652554 564336498 /nfs/dbraw/zinc/33/64/98/564336498.db2.gz JYHKFZKLRXLVJH-HZSPNIEDSA-N 0 1 388.339 2.558 20 0 GFADMN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000476410766 564338214 /nfs/dbraw/zinc/33/82/14/564338214.db2.gz QIFCMXADPCRBER-UHFFFAOYSA-N 0 1 376.825 2.781 20 0 GFADMN CCN(CC)[C@@H](CNS(=O)(=O)CCC(F)(F)F)c1cccc(OC)c1 ZINC000566693739 564338384 /nfs/dbraw/zinc/33/83/84/564338384.db2.gz VVIFRTFUMXKBGA-HNNXBMFYSA-N 0 1 382.448 2.950 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1F ZINC000510554954 564338401 /nfs/dbraw/zinc/33/84/01/564338401.db2.gz SPCFAWJFAVSBHO-AAEUAGOBSA-N 0 1 391.306 2.836 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)Cc1ccccc1Br ZINC000566823020 564344602 /nfs/dbraw/zinc/34/46/02/564344602.db2.gz CEVONJQYYFUGLR-CQSZACIVSA-N 0 1 375.332 2.695 20 0 GFADMN Cc1oc(C[N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000566921101 564350087 /nfs/dbraw/zinc/35/00/87/564350087.db2.gz WKZKZGMAZQRHSF-CYBMUJFWSA-N 0 1 398.253 2.920 20 0 GFADMN C[C@@H]1CCCCN1CCNS(=O)(=O)Cc1ccccc1Br ZINC000566991795 564352669 /nfs/dbraw/zinc/35/26/69/564352669.db2.gz YCWUOUYCTCREIK-CYBMUJFWSA-N 0 1 375.332 2.743 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cncc(Br)c2)n(-c2ccccn2)n1 ZINC000476922576 564359125 /nfs/dbraw/zinc/35/91/25/564359125.db2.gz QVEKAJDQEGXCRL-UHFFFAOYSA-N 0 1 394.254 2.534 20 0 GFADMN O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882491 564362750 /nfs/dbraw/zinc/36/27/50/564362750.db2.gz CEGYEEMBHXKCLK-PUYPPJJSSA-N 0 1 388.213 2.978 20 0 GFADMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000477105410 564364427 /nfs/dbraw/zinc/36/44/27/564364427.db2.gz CPEDIAUKOUDIHO-UHFFFAOYSA-N 0 1 381.841 2.507 20 0 GFADMN C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511273039 564364942 /nfs/dbraw/zinc/36/49/42/564364942.db2.gz LBJODSRJYRTHBE-CQSZACIVSA-N 0 1 382.961 2.879 20 0 GFADMN CCCN(CCN1CCCC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000511329288 564367360 /nfs/dbraw/zinc/36/73/60/564367360.db2.gz ZSLJKOYQHTXFRB-UHFFFAOYSA-N 0 1 380.432 2.924 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544032750 564371392 /nfs/dbraw/zinc/37/13/92/564371392.db2.gz KJKPMRUYFPNCHN-UHFFFAOYSA-N 0 1 379.295 2.693 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](C)C[C@H](C)O)cc1 ZINC000544026942 564371903 /nfs/dbraw/zinc/37/19/03/564371903.db2.gz QYMZCMSUSUXSDG-STQMWFEESA-N 0 1 382.507 2.747 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](C)C[C@@H](C)O)cc1 ZINC000544026939 564371924 /nfs/dbraw/zinc/37/19/24/564371924.db2.gz QYMZCMSUSUXSDG-CHWSQXEVSA-N 0 1 382.507 2.747 20 0 GFADMN CCc1nc([C@H](C)NC(=O)c2ccc(F)c(I)c2)n[nH]1 ZINC000477298146 564372566 /nfs/dbraw/zinc/37/25/66/564372566.db2.gz OJEHULQVWRISFE-ZETCQYMHSA-N 0 1 388.184 2.602 20 0 GFADMN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000477328242 564373557 /nfs/dbraw/zinc/37/35/57/564373557.db2.gz GCDMOPRLOJRNMC-NSHDSACASA-N 0 1 375.778 2.650 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(F)ccc2Br)C1 ZINC000511498363 564373762 /nfs/dbraw/zinc/37/37/62/564373762.db2.gz YNKNZWKYRUSRMZ-STQMWFEESA-N 0 1 387.293 2.951 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(O)ccc2Br)C1 ZINC000511507211 564374149 /nfs/dbraw/zinc/37/41/49/564374149.db2.gz KLMZRBOCMRVNLG-CHWSQXEVSA-N 0 1 385.302 2.518 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)c1ccc(Cl)cc1Cl ZINC000567585238 564379063 /nfs/dbraw/zinc/37/90/63/564379063.db2.gz WFJWCSWRPPKYJQ-KGLIPLIRSA-N 0 1 396.292 2.552 20 0 GFADMN Cc1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000477515806 564379741 /nfs/dbraw/zinc/37/97/41/564379741.db2.gz INWWEGSUUPLWOL-AWEZNQCLSA-N 0 1 375.332 2.909 20 0 GFADMN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000477767287 564386603 /nfs/dbraw/zinc/38/66/03/564386603.db2.gz VICOFFMAPYUPBN-GUYCJALGSA-N 0 1 387.307 2.862 20 0 GFADMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000452102713 564392850 /nfs/dbraw/zinc/39/28/50/564392850.db2.gz JAXJZRZXANVBTQ-JTQLQIEISA-N 0 1 397.285 2.831 20 0 GFADMN CCCCNC(=O)NC(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512165801 564393578 /nfs/dbraw/zinc/39/35/78/564393578.db2.gz QYWALYARJRGCIM-CQSZACIVSA-N 0 1 376.284 2.632 20 0 GFADMN C[C@@H]1CN(CCO)CCN1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000452117098 564394862 /nfs/dbraw/zinc/39/48/62/564394862.db2.gz NQBOFCTXVMUUAZ-CYBMUJFWSA-N 0 1 380.286 2.603 20 0 GFADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Br)o1 ZINC000544722285 564396564 /nfs/dbraw/zinc/39/65/64/564396564.db2.gz VAPNCGZKJXQBNI-UHFFFAOYSA-N 0 1 393.328 2.856 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)o2)C(=O)N1c1ccccc1 ZINC000544724593 564396628 /nfs/dbraw/zinc/39/66/28/564396628.db2.gz WJCNWJWIFMVYEP-CMPLNLGQSA-N 0 1 399.266 2.514 20 0 GFADMN C[C@@H](Sc1ccccc1C(=O)NC[C@@H](c1cccs1)N(C)C)C(N)=O ZINC000512314568 564397505 /nfs/dbraw/zinc/39/75/05/564397505.db2.gz HLWSHLPQIHCQGQ-OCCSQVGLSA-N 0 1 377.535 2.747 20 0 GFADMN COc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(Br)c1O ZINC000544928320 564404613 /nfs/dbraw/zinc/40/46/13/564404613.db2.gz XKKXUMPHSPWSGC-STQMWFEESA-N 0 1 383.286 2.654 20 0 GFADMN COc1cc([C@@H](C)NCCNS(=O)(=O)c2ccc(Cl)cc2C)ccn1 ZINC000568238889 564410207 /nfs/dbraw/zinc/41/02/07/564410207.db2.gz FJLDTRRJCDMCAQ-CYBMUJFWSA-N 0 1 383.901 2.681 20 0 GFADMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000512762712 564410511 /nfs/dbraw/zinc/41/05/11/564410511.db2.gz UUOGSLQFDAJBLJ-HSZRJFAPSA-N 0 1 387.866 2.665 20 0 GFADMN Cc1cc(Br)oc1C(=O)N1CCC(n2ncc3c2CNC3)CC1 ZINC000568253939 564410957 /nfs/dbraw/zinc/41/09/57/564410957.db2.gz PLEWZQFKPBPTNS-UHFFFAOYSA-N 0 1 379.258 2.628 20 0 GFADMN CCN1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)s3)cn2)CC1 ZINC000513043389 564418945 /nfs/dbraw/zinc/41/89/45/564418945.db2.gz AJWIARRQDSIWQI-UHFFFAOYSA-N 0 1 378.929 2.797 20 0 GFADMN CN(CC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000452533033 564419065 /nfs/dbraw/zinc/41/90/65/564419065.db2.gz LMPPJUBCBKQNKU-HUUCEWRRSA-N 0 1 376.444 2.682 20 0 GFADMN O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000513096568 564419847 /nfs/dbraw/zinc/41/98/47/564419847.db2.gz WBUJAKJMGRDOAE-CYBMUJFWSA-N 0 1 391.306 2.634 20 0 GFADMN Cc1nc([C@H]2CCCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)n[nH]1 ZINC000513271413 564425509 /nfs/dbraw/zinc/42/55/09/564425509.db2.gz ILKOHNMGZPJERI-UKRRQHHQSA-N 0 1 391.269 2.933 20 0 GFADMN NC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000568829613 564436188 /nfs/dbraw/zinc/43/61/88/564436188.db2.gz YPIIDEOODLIGDX-UHFFFAOYSA-N 0 1 394.250 2.830 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C)cc2Br)s1 ZINC000513789865 564438635 /nfs/dbraw/zinc/43/86/35/564438635.db2.gz OLNUOKCPCCQZCS-UHFFFAOYSA-N 0 1 391.268 2.801 20 0 GFADMN Cc1cccc(I)c1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452948997 564438752 /nfs/dbraw/zinc/43/87/52/564438752.db2.gz YEROZCLMLKEHHI-UHFFFAOYSA-N 0 1 382.205 2.525 20 0 GFADMN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000513812647 564439523 /nfs/dbraw/zinc/43/95/23/564439523.db2.gz OTHCRPPNAXLSJM-UHFFFAOYSA-N 0 1 389.882 2.867 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)n[nH]1 ZINC000513810154 564439599 /nfs/dbraw/zinc/43/95/99/564439599.db2.gz WMMOYWAOHDFHBS-ZUZCIYMTSA-N 0 1 382.917 2.935 20 0 GFADMN CNC(=O)C[C@@H](NC(=O)c1cccc(Br)c1O)c1ccccc1 ZINC000568945657 564441665 /nfs/dbraw/zinc/44/16/65/564441665.db2.gz ZKBOILSMSJSUDB-CQSZACIVSA-N 0 1 377.238 2.762 20 0 GFADMN CCOc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C ZINC000568938113 564441763 /nfs/dbraw/zinc/44/17/63/564441763.db2.gz AWLJSPNJFTWQRH-UHFFFAOYSA-N 0 1 392.543 2.514 20 0 GFADMN Cc1cc2[nH]c(CNC[C@@H](O)CS(=O)(=O)c3cccs3)cc2c(C)c1 ZINC000479464262 564441754 /nfs/dbraw/zinc/44/17/54/564441754.db2.gz HVUJICCQDLHNAR-OAHLLOKOSA-N 0 1 378.519 2.771 20 0 GFADMN O=S1(=O)CC[C@@H](NCCN2CC=CCC2)c2cc(Br)ccc21 ZINC000479526069 564443366 /nfs/dbraw/zinc/44/33/66/564443366.db2.gz KSFNYHIJIZWKSI-OAHLLOKOSA-N 0 1 385.327 2.519 20 0 GFADMN Cc1c([C@H](C)NC[C@]2(C)CCC(=O)N2)nnn1-c1cccc(Br)c1 ZINC000453405353 564457129 /nfs/dbraw/zinc/45/71/29/564457129.db2.gz QJLXYYNDEAGRMR-GTNSWQLSSA-N 0 1 392.301 2.658 20 0 GFADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1CCC[C@H]1O ZINC000453620866 564459955 /nfs/dbraw/zinc/45/99/55/564459955.db2.gz VWBTWIFYTUMPHT-HUUCEWRRSA-N 0 1 384.263 2.969 20 0 GFADMN Clc1cccc(-n2c(SCCc3c[nH]nn3)nnc2N2CCCC2)c1 ZINC000569421237 564462675 /nfs/dbraw/zinc/46/26/75/564462675.db2.gz BPIWVQFOFSSALE-UHFFFAOYSA-N 0 1 375.889 2.974 20 0 GFADMN CCCOc1c(Cl)cc(CNCCS(=O)(=O)N(C)C)cc1OCC ZINC000514975247 564464630 /nfs/dbraw/zinc/46/46/30/564464630.db2.gz FALMZOOQIPZTDF-UHFFFAOYSA-N 0 1 378.922 2.509 20 0 GFADMN C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)N(C)C1CC1 ZINC000480220645 564464901 /nfs/dbraw/zinc/46/49/01/564464901.db2.gz RXNXFQYCAWAUPI-IAQYHMDHSA-N 0 1 387.343 2.740 20 0 GFADMN CC(C)[C@](C)(O)CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480240116 564465730 /nfs/dbraw/zinc/46/57/30/564465730.db2.gz JLFCCYZMCUAWTD-UKRRQHHQSA-N 0 1 376.316 2.664 20 0 GFADMN CO[C@H]1C[C@H](CC(=O)[O-])[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000515065316 564467556 /nfs/dbraw/zinc/46/75/56/564467556.db2.gz DQMMZBRAIBBRSC-OCCSQVGLSA-N 0 1 376.222 2.531 20 0 GFADMN O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000515197078 564471589 /nfs/dbraw/zinc/47/15/89/564471589.db2.gz QYRLLVMJEANKDF-UHFFFAOYSA-N 0 1 398.216 2.786 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000480410590 564471889 /nfs/dbraw/zinc/47/18/89/564471889.db2.gz NQUDEHDWCUIZSN-CQSZACIVSA-N 0 1 399.310 2.843 20 0 GFADMN O=S(=O)([N-]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)o1 ZINC000480410590 564471893 /nfs/dbraw/zinc/47/18/93/564471893.db2.gz NQUDEHDWCUIZSN-CQSZACIVSA-N 0 1 399.310 2.843 20 0 GFADMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000569672590 564473296 /nfs/dbraw/zinc/47/32/96/564473296.db2.gz VWPDEMLMBBIOKC-VXGBXAGGSA-N 0 1 380.432 2.968 20 0 GFADMN CN(CC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)[C@@H]1CCSC1 ZINC000480440260 564473602 /nfs/dbraw/zinc/47/36/02/564473602.db2.gz UCBCQCIIVBIQJK-XQAQDONZSA-N 0 1 389.348 2.847 20 0 GFADMN O=S1(=O)CCN(Cc2nc3ccc(Br)cc3[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000480579683 564478244 /nfs/dbraw/zinc/47/82/44/564478244.db2.gz LDNQMKHIMHAMLE-CABCVRRESA-N 0 1 398.326 2.867 20 0 GFADMN O=C(CN[C@H](c1cc(F)cc(Br)c1)C1CC1)NC1CCOCC1 ZINC000547517845 564491730 /nfs/dbraw/zinc/49/17/30/564491730.db2.gz ONXDQBJAVDNVCY-KRWDZBQOSA-N 0 1 385.277 2.924 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CCc2cc(Br)cc(F)c21 ZINC000570141077 564492668 /nfs/dbraw/zinc/49/26/68/564492668.db2.gz MSJMPGMCZDGOBQ-UHFFFAOYSA-N 0 1 380.221 2.856 20 0 GFADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1c(O)cnc2c(Br)cccc21 ZINC000516121706 564494286 /nfs/dbraw/zinc/49/42/86/564494286.db2.gz CAMVCWHVXOFRQY-SECBINFHSA-N 0 1 387.237 2.713 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000516630179 564508322 /nfs/dbraw/zinc/50/83/22/564508322.db2.gz XPAUHNCZYPMARB-NEPJUHHUSA-N 0 1 380.235 2.746 20 0 GFADMN Cc1c(S(=O)(=O)NC[C@H](C)N2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000547715000 564508721 /nfs/dbraw/zinc/50/87/21/564508721.db2.gz BKLQDNXQGJSQIN-ZDUSSCGKSA-N 0 1 382.917 2.597 20 0 GFADMN CN(C)c1cc(Cl)cc(Cl)c1CNC[C@@H]1CCCCN1S(C)(=O)=O ZINC000570554882 564511533 /nfs/dbraw/zinc/51/15/33/564511533.db2.gz FMSJRSDRPCHNBH-ZDUSSCGKSA-N 0 1 394.368 2.963 20 0 GFADMN CCN(CC)[C@@H](C)CNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000454606754 564516291 /nfs/dbraw/zinc/51/62/91/564516291.db2.gz DMFNHHINFOBOGN-AWEZNQCLSA-N 0 1 389.949 2.533 20 0 GFADMN CCc1cc(NC(=O)NCc2nc3cccc(Br)c3[nH]2)n(C)n1 ZINC000454804948 564522454 /nfs/dbraw/zinc/52/24/54/564522454.db2.gz MTCJJHWYWCPHHX-UHFFFAOYSA-N 0 1 377.246 2.943 20 0 GFADMN CC(C)NC(=O)CCCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000517098405 564524669 /nfs/dbraw/zinc/52/46/69/564524669.db2.gz YDOXJVONEJTXDW-UHFFFAOYSA-N 0 1 394.273 2.868 20 0 GFADMN COc1ccc(CCN[C@H](C(N)=O)c2ccc(Br)cc2)c(OC)c1 ZINC000517168874 564526515 /nfs/dbraw/zinc/52/65/15/564526515.db2.gz NYNJFCMVABSWJW-KRWDZBQOSA-N 0 1 393.281 2.825 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)oc1C ZINC000481868762 564526875 /nfs/dbraw/zinc/52/68/75/564526875.db2.gz CLCMPCXQHXMXMU-UHFFFAOYSA-N 0 1 386.857 2.890 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cnn(-c2cccc(Br)c2)c1 ZINC000517370099 564531694 /nfs/dbraw/zinc/53/16/94/564531694.db2.gz BBTFEYZQCIEHKI-CQSZACIVSA-N 0 1 375.270 2.601 20 0 GFADMN CN(C)[C@H](CNS(=O)(=O)c1ccc2ncsc2c1)Cc1ccccc1 ZINC000548117466 564532044 /nfs/dbraw/zinc/53/20/44/564532044.db2.gz NPNIVQRLJMVGQX-HNNXBMFYSA-N 0 1 375.519 2.748 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482077345 564533362 /nfs/dbraw/zinc/53/33/62/564533362.db2.gz FCMXHYZIEGRFJN-JSGCOSHPSA-N 0 1 385.917 2.834 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000455139424 564538672 /nfs/dbraw/zinc/53/86/72/564538672.db2.gz JLIYKLNRMCWLCL-UHFFFAOYSA-N 0 1 398.349 2.690 20 0 GFADMN COC[C@H](Cc1ccccc1)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000571163762 564538751 /nfs/dbraw/zinc/53/87/51/564538751.db2.gz JJJHRCMHTNVHIJ-HKUYNNGSSA-N 0 1 391.309 2.997 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000517690507 564539502 /nfs/dbraw/zinc/53/95/02/564539502.db2.gz WQXIQPDJYXBMHE-LBPRGKRZSA-N 0 1 395.380 2.839 20 0 GFADMN COCCN(C)CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000482247438 564540224 /nfs/dbraw/zinc/54/02/24/564540224.db2.gz MDVGRASJOAKGEX-CYBMUJFWSA-N 0 1 396.333 2.567 20 0 GFADMN Cc1nc(CNC(=O)N2CCN(C)[C@@H](C(C)C)C2)sc1Br ZINC000455241581 564545128 /nfs/dbraw/zinc/54/51/28/564545128.db2.gz YQYWKHBROIHYBS-LLVKDONJSA-N 0 1 375.336 2.696 20 0 GFADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ncc(Br)cn1 ZINC000571311447 564545490 /nfs/dbraw/zinc/54/54/90/564545490.db2.gz JZKYTRJWSPZYRT-GWCFXTLKSA-N 0 1 398.330 2.964 20 0 GFADMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000518200693 564547860 /nfs/dbraw/zinc/54/78/60/564547860.db2.gz MQBKTWJWOJEOKZ-HNNXBMFYSA-N 0 1 389.233 2.604 20 0 GFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1csc(Br)c1 ZINC000483468640 564568234 /nfs/dbraw/zinc/56/82/34/564568234.db2.gz DUCNDPRBANHDQW-UHFFFAOYSA-N 0 1 393.266 2.950 20 0 GFADMN OC12C[C@@H]3C[C@H](C1)CC(NCc1ncc(I)s1)(C3)C2 ZINC000519033008 564568627 /nfs/dbraw/zinc/56/86/27/564568627.db2.gz FHXIQEUSRNINRC-XYAOECAESA-N 0 1 390.290 2.921 20 0 GFADMN CNS(=O)(=O)CCCN(Cc1ccccc1Br)CC(C)C ZINC000483536662 564568881 /nfs/dbraw/zinc/56/88/81/564568881.db2.gz CMJJJNLJMXYLDV-UHFFFAOYSA-N 0 1 377.348 2.846 20 0 GFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCc1sccc1Br ZINC000483585152 564569999 /nfs/dbraw/zinc/56/99/99/564569999.db2.gz OMNQVFQIKJZLOP-UHFFFAOYSA-N 0 1 393.266 2.950 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)cn2)CCN1C ZINC000455860106 564575654 /nfs/dbraw/zinc/57/56/54/564575654.db2.gz DQOPPMICUFEMCM-AWEZNQCLSA-N 0 1 384.322 2.714 20 0 GFADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)N(C)C)CC1 ZINC000572012382 564577364 /nfs/dbraw/zinc/57/73/64/564577364.db2.gz XRBYVOJEFDAWCF-OAHLLOKOSA-N 0 1 382.346 2.996 20 0 GFADMN Cc1nc2cc(Cl)c(NC(=O)C(=O)N3CCN(C)CC[C@H]3C)cc2s1 ZINC000484323396 564586548 /nfs/dbraw/zinc/58/65/48/564586548.db2.gz GWAFFRLGDACNRA-SNVBAGLBSA-N 0 1 380.901 2.749 20 0 GFADMN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000484588091 564591914 /nfs/dbraw/zinc/59/19/14/564591914.db2.gz FTEPMPNZRGFQPH-DEOSSOPVSA-N 0 1 385.438 2.541 20 0 GFADMN O=C([C@H]1CCc2cc(Br)ccc21)N1CCN(C2CCOCC2)CC1 ZINC000519827043 564592300 /nfs/dbraw/zinc/59/23/00/564592300.db2.gz OFKHYUITNSMJIK-SFHVURJKSA-N 0 1 393.325 2.802 20 0 GFADMN CCO[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(Br)cc1Cl ZINC000484642040 564593824 /nfs/dbraw/zinc/59/38/24/564593824.db2.gz RDLNBHMROVFKMK-ZIAGYGMSSA-N 0 1 391.693 2.825 20 0 GFADMN Cc1cc(CCC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)ccc1Br ZINC000456206281 564595199 /nfs/dbraw/zinc/59/51/99/564595199.db2.gz DMPQCNJWCIADRH-GASCZTMLSA-N 0 1 383.330 2.604 20 0 GFADMN O=C(COc1ccc(F)cc1Br)Nc1nc(-c2ccncc2)n[nH]1 ZINC000520132967 564598266 /nfs/dbraw/zinc/59/82/66/564598266.db2.gz WLTRRCHELYSCJS-UHFFFAOYSA-N 0 1 392.188 2.786 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)cc2Br)C1 ZINC000456326877 564600401 /nfs/dbraw/zinc/60/04/01/564600401.db2.gz GWGIFFNGIVJICK-CQSZACIVSA-N 0 1 391.313 2.777 20 0 GFADMN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H]1CN(C)CCN1C ZINC000520309757 564600639 /nfs/dbraw/zinc/60/06/39/564600639.db2.gz MVZMIUPDACTUDG-HNNXBMFYSA-N 0 1 378.929 2.748 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456342485 564601669 /nfs/dbraw/zinc/60/16/69/564601669.db2.gz WHHNQFFYMHOHOU-WZRBSPASSA-N 0 1 378.270 2.949 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1csnn1 ZINC000456363785 564602792 /nfs/dbraw/zinc/60/27/92/564602792.db2.gz FYKWRUOCLKAYHP-SNVBAGLBSA-N 0 1 396.314 2.693 20 0 GFADMN O=C(N1CCc2[nH]nnc2C1)C1(c2ccc(Br)cc2)CCCC1 ZINC000485000734 564603960 /nfs/dbraw/zinc/60/39/60/564603960.db2.gz GHBYRJUSXBKUIL-UHFFFAOYSA-N 0 1 375.270 2.964 20 0 GFADMN C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456369239 564603974 /nfs/dbraw/zinc/60/39/74/564603974.db2.gz LQSUKVAQZOFANY-VNHYZAJKSA-N 0 1 396.329 2.953 20 0 GFADMN CC(C)(C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F)c1cnc[nH]1 ZINC000456478619 564609671 /nfs/dbraw/zinc/60/96/71/564609671.db2.gz DKCAUXGXMPPLCM-LLVKDONJSA-N 0 1 398.276 2.556 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCCN(CC(F)(F)F)CC1 ZINC000520735363 564611427 /nfs/dbraw/zinc/61/14/27/564611427.db2.gz BLOJATFVKSXINR-UHFFFAOYSA-N 0 1 381.192 2.865 20 0 GFADMN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000572869629 564613835 /nfs/dbraw/zinc/61/38/35/564613835.db2.gz GGKOEZXGGOAEFJ-HZPDHXFCSA-N 0 1 381.929 2.515 20 0 GFADMN C[C@@H](NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)c1ccc(F)cc1Cl ZINC000520881464 564615426 /nfs/dbraw/zinc/61/54/26/564615426.db2.gz PIEMHUBQVWYXIG-OCCSQVGLSA-N 0 1 377.913 2.791 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)Cc3ccc(F)cc3Br)cc21 ZINC000485484749 564617061 /nfs/dbraw/zinc/61/70/61/564617061.db2.gz ADPXGUIFTOMJRR-UHFFFAOYSA-N 0 1 391.200 2.745 20 0 GFADMN CC(C)(O)CN1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000521234597 564622377 /nfs/dbraw/zinc/62/23/77/564622377.db2.gz KRGFBWOFNWYNRC-UHFFFAOYSA-N 0 1 381.929 2.797 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000521234607 564622468 /nfs/dbraw/zinc/62/24/68/564622468.db2.gz XIWPQRGOBBJVKG-CYBMUJFWSA-N 0 1 380.945 2.634 20 0 GFADMN CCCCc1nc(C(=O)OCC)c(NC(=O)Cn2cc(Br)cn2)[nH]1 ZINC000485712962 564623385 /nfs/dbraw/zinc/62/33/85/564623385.db2.gz UQJZMSINDLEPPD-UHFFFAOYSA-N 0 1 398.261 2.527 20 0 GFADMN COc1ccccc1[C@H](CNc1ncc(Br)c(OC)n1)N(C)C ZINC000521579769 564630737 /nfs/dbraw/zinc/63/07/37/564630737.db2.gz YUIQOSWWSYANET-ZDUSSCGKSA-N 0 1 381.274 2.971 20 0 GFADMN COc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc(OC)c1Br ZINC000522043013 564642478 /nfs/dbraw/zinc/64/24/78/564642478.db2.gz DTWVMAAYJMVHPD-CYBMUJFWSA-N 0 1 383.286 2.633 20 0 GFADMN C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457017631 564643480 /nfs/dbraw/zinc/64/34/80/564643480.db2.gz ASUIMZVVSCZSPW-GHMZBOCLSA-N 0 1 382.258 2.526 20 0 GFADMN CCc1noc(C)c1CNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000573558431 564643552 /nfs/dbraw/zinc/64/35/52/564643552.db2.gz UHOYBHCLYHVOQO-ZDUSSCGKSA-N 0 1 387.249 2.977 20 0 GFADMN CCCNC(=O)CCCC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457057691 564645342 /nfs/dbraw/zinc/64/53/42/564645342.db2.gz MZVTZJMWJVFLEH-UHFFFAOYSA-N 0 1 381.274 2.638 20 0 GFADMN CCc1ccc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCN3C)n2)s1 ZINC000573615941 564646024 /nfs/dbraw/zinc/64/60/24/564646024.db2.gz SMVZIIJZXXJHPM-NSHDSACASA-N 0 1 378.523 2.583 20 0 GFADMN COC(C)(C)CC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000486436650 564652429 /nfs/dbraw/zinc/65/24/29/564652429.db2.gz SQSPVXMAMIWWOB-UHFFFAOYSA-N 0 1 384.318 2.955 20 0 GFADMN CCC1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000457287462 564654353 /nfs/dbraw/zinc/65/43/53/564654353.db2.gz YOMXTRPCZLYVGR-UHFFFAOYSA-N 0 1 382.201 2.615 20 0 GFADMN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cncc(F)c1 ZINC000486527920 564655960 /nfs/dbraw/zinc/65/59/60/564655960.db2.gz NTNGCHATDDTTGO-UHFFFAOYSA-N 0 1 388.211 2.909 20 0 GFADMN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)[nH]1 ZINC000457335684 564656884 /nfs/dbraw/zinc/65/68/84/564656884.db2.gz WXAMOZIIRQXORQ-GFCCVEGCSA-N 0 1 382.287 2.726 20 0 GFADMN Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)n1 ZINC000457335684 564656890 /nfs/dbraw/zinc/65/68/90/564656890.db2.gz WXAMOZIIRQXORQ-GFCCVEGCSA-N 0 1 382.287 2.726 20 0 GFADMN C[C@H](NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1Br ZINC000457472663 564662862 /nfs/dbraw/zinc/66/28/62/564662862.db2.gz XNIRGBWBCXSTEX-MJBXVCDLSA-N 0 1 384.318 2.607 20 0 GFADMN CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCCN(C)C1 ZINC000457593557 564666295 /nfs/dbraw/zinc/66/62/95/564666295.db2.gz HPMRYSOKIHMZAG-CQSZACIVSA-N 0 1 382.295 2.799 20 0 GFADMN O=C(NCCCc1nc[nH]n1)Nc1cccc2cc(Br)cnc21 ZINC000486870806 564669166 /nfs/dbraw/zinc/66/91/66/564669166.db2.gz UEQAXFMVRNYASR-UHFFFAOYSA-N 0 1 375.230 2.870 20 0 GFADMN CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000523649926 564670138 /nfs/dbraw/zinc/67/01/38/564670138.db2.gz WFHOBLBJQUXKJL-CYBMUJFWSA-N 0 1 390.281 2.599 20 0 GFADMN Cn1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)n1 ZINC000524058798 564676001 /nfs/dbraw/zinc/67/60/01/564676001.db2.gz WXGXDAUTUSSHEN-UHFFFAOYSA-N 0 1 382.873 2.500 20 0 GFADMN COc1ccc(Br)c(CNC(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000457867760 564676552 /nfs/dbraw/zinc/67/65/52/564676552.db2.gz BHPTUECLKXEGAG-UHFFFAOYSA-N 0 1 382.262 2.699 20 0 GFADMN COc1cc(OC)c([C@H](C)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000552100362 564677057 /nfs/dbraw/zinc/67/70/57/564677057.db2.gz HLDVEZUYVLEQEN-STQMWFEESA-N 0 1 390.933 2.822 20 0 GFADMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCOc1ccc(Br)cc1 ZINC000524136996 564677696 /nfs/dbraw/zinc/67/76/96/564677696.db2.gz XGJASQJBKPSJOS-INIZCTEOSA-N 0 1 384.318 2.810 20 0 GFADMN C[N@@H+]1CC[C@H]2CCN(C(=O)c3c([O-])cnc4c(Br)cccc43)[C@H]2C1 ZINC000487175571 564677977 /nfs/dbraw/zinc/67/79/77/564677977.db2.gz ZWVZPHXVYFUGFP-FZMZJTMJSA-N 0 1 390.281 2.869 20 0 GFADMN C[N@H+]1CC[C@H]2CCN(C(=O)c3c([O-])cnc4c(Br)cccc43)[C@H]2C1 ZINC000487175571 564677981 /nfs/dbraw/zinc/67/79/81/564677981.db2.gz ZWVZPHXVYFUGFP-FZMZJTMJSA-N 0 1 390.281 2.869 20 0 GFADMN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]nnc2c1 ZINC000552262192 564683346 /nfs/dbraw/zinc/68/33/46/564683346.db2.gz KFVNVIACYUQPRF-UHFFFAOYSA-N 0 1 378.841 2.804 20 0 GFADMN C[C@H](Oc1ccccc1Br)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458018552 564684512 /nfs/dbraw/zinc/68/45/12/564684512.db2.gz HWSPINAGGZIHLY-JTQLQIEISA-N 0 1 381.274 2.948 20 0 GFADMN COc1cc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc(Br)c1OC ZINC000458033484 564685369 /nfs/dbraw/zinc/68/53/69/564685369.db2.gz VEZQUHAEARVQSQ-UHFFFAOYSA-N 0 1 397.273 2.812 20 0 GFADMN CC(C)(C(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1)c1cnc[nH]1 ZINC000458099721 564687601 /nfs/dbraw/zinc/68/76/01/564687601.db2.gz HGTKNFNLWLBVBW-LBPRGKRZSA-N 0 1 398.276 2.556 20 0 GFADMN O=S(=O)(c1cccc(Br)c1F)N1CC[C@H](N2CCCCC2)C1 ZINC000574940280 564688601 /nfs/dbraw/zinc/68/86/01/564688601.db2.gz BYWSYRQTVVSTAZ-LBPRGKRZSA-N 0 1 391.306 2.837 20 0 GFADMN Cc1n[nH]c(C(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1C ZINC000458145693 564690290 /nfs/dbraw/zinc/69/02/90/564690290.db2.gz NLPWHBJSUCWPDE-LBPRGKRZSA-N 0 1 384.249 2.509 20 0 GFADMN Cc1n[nH]c(C(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)c1C ZINC000458145690 564690302 /nfs/dbraw/zinc/69/03/02/564690302.db2.gz NLPWHBJSUCWPDE-GFCCVEGCSA-N 0 1 384.249 2.509 20 0 GFADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCCn1cc(Br)cn1 ZINC000575460011 564699457 /nfs/dbraw/zinc/69/94/57/564699457.db2.gz JXTGWEATYMPEGO-UHFFFAOYSA-N 0 1 383.294 2.508 20 0 GFADMN C[C@@H](CC(C)(C)O)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458434665 564701722 /nfs/dbraw/zinc/70/17/22/564701722.db2.gz RSCPLKULDDOWSD-JTQLQIEISA-N 0 1 396.289 2.583 20 0 GFADMN C[C@@H](CC(C)(C)O)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458434665 564701725 /nfs/dbraw/zinc/70/17/25/564701725.db2.gz RSCPLKULDDOWSD-JTQLQIEISA-N 0 1 396.289 2.583 20 0 GFADMN COCCN(C)S(=O)(=O)[C@H]1CCCN(CCCc2ccccc2Cl)C1 ZINC000488102760 564703693 /nfs/dbraw/zinc/70/36/93/564703693.db2.gz HSKIXGPAZUDKBA-KRWDZBQOSA-N 0 1 388.961 2.645 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)NCc2ccc(O)c(Br)c2)n[nH]1 ZINC000458562738 564706651 /nfs/dbraw/zinc/70/66/51/564706651.db2.gz YGLWNWYWJDYDIX-UHFFFAOYSA-N 0 1 382.262 2.570 20 0 GFADMN CCCC[C@H](CC)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000576233539 564709211 /nfs/dbraw/zinc/70/92/11/564709211.db2.gz CMHJVOLXXKIEAQ-AWEZNQCLSA-N 0 1 388.555 2.969 20 0 GFADMN CCc1nc(CNC(=O)N[C@H](C)c2ccc(Br)cc2OC)n[nH]1 ZINC000458689306 564712343 /nfs/dbraw/zinc/71/23/43/564712343.db2.gz IESXTXGBULVQIF-SECBINFHSA-N 0 1 382.262 2.699 20 0 GFADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000525981777 564714228 /nfs/dbraw/zinc/71/42/28/564714228.db2.gz JQDVVPUXGDJGMJ-OURXLALMSA-N 0 1 383.583 2.682 20 0 GFADMN CCCN1C(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C(=O)[C@@H]1C ZINC000526040862 564717484 /nfs/dbraw/zinc/71/74/84/564717484.db2.gz SKQLKTVCERYRLV-JTQLQIEISA-N 0 1 392.257 2.797 20 0 GFADMN CCCN1C(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C(=O)[C@@H]1C ZINC000526040862 564717488 /nfs/dbraw/zinc/71/74/88/564717488.db2.gz SKQLKTVCERYRLV-JTQLQIEISA-N 0 1 392.257 2.797 20 0 GFADMN O=S(=O)([N-][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)c(F)cc1F ZINC000488850044 564722274 /nfs/dbraw/zinc/72/22/74/564722274.db2.gz FQJNOLVJKVMEBB-STQMWFEESA-N 0 1 395.269 2.632 20 0 GFADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Br)c(F)cc1F ZINC000488850044 564722276 /nfs/dbraw/zinc/72/22/76/564722276.db2.gz FQJNOLVJKVMEBB-STQMWFEESA-N 0 1 395.269 2.632 20 0 GFADMN CCOC(=O)c1cc(Br)ccc1NS(=O)(=O)CCCCOC ZINC000576995153 564722339 /nfs/dbraw/zinc/72/23/39/564722339.db2.gz PXLVLDZQTMGVNJ-UHFFFAOYSA-N 0 1 394.287 2.794 20 0 GFADMN CN(CC(=O)Nc1nc2ccc(F)cc2[nH]1)C(=O)c1ccc(Br)o1 ZINC000488902072 564723644 /nfs/dbraw/zinc/72/36/44/564723644.db2.gz QOUBTFUWZSHZKM-UHFFFAOYSA-N 0 1 395.188 2.768 20 0 GFADMN CC[C@H]1CN(CC)CCN1C(=O)NCc1nc(C)c(Br)s1 ZINC000458919610 564724094 /nfs/dbraw/zinc/72/40/94/564724094.db2.gz DTABKBLDVMMTKB-NSHDSACASA-N 0 1 375.336 2.840 20 0 GFADMN CC(C)Oc1ccc([C@H](C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)[NH+](C)C)cc1 ZINC000577087782 564724527 /nfs/dbraw/zinc/72/45/27/564724527.db2.gz UAKYWNFEEBKFEX-DOMZBBRYSA-N 0 1 382.448 2.947 20 0 GFADMN CC(C)c1nc(CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)n[nH]1 ZINC000458939090 564724903 /nfs/dbraw/zinc/72/49/03/564724903.db2.gz JTEYFRNXUXFKHU-UHFFFAOYSA-N 0 1 382.921 2.670 20 0 GFADMN O=C(CCNS(=O)(=O)c1cccs1)Nc1cc(Cl)c(O)cc1F ZINC000553683430 564731408 /nfs/dbraw/zinc/73/14/08/564731408.db2.gz UJUFWDASEPBXGB-UHFFFAOYSA-N 0 1 378.834 2.553 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H](CO)C1CCCC1 ZINC000459137686 564732639 /nfs/dbraw/zinc/73/26/39/564732639.db2.gz LDFAVGUSMGVLAL-ZDUSSCGKSA-N 0 1 381.274 2.676 20 0 GFADMN CC(C)CCc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 ZINC000527247196 564735693 /nfs/dbraw/zinc/73/56/93/564735693.db2.gz XAZGCPAWLDORTO-UHFFFAOYSA-N 0 1 382.507 2.875 20 0 GFADMN CN(CCOCC1CC1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459219858 564736058 /nfs/dbraw/zinc/73/60/58/564736058.db2.gz SFDBUXZYJSHFRJ-UHFFFAOYSA-N 0 1 381.274 2.893 20 0 GFADMN CC[C@H](C[C@@H](C)CO)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459225127 564737510 /nfs/dbraw/zinc/73/75/10/564737510.db2.gz XKMAGOVTVYKRBO-GHMZBOCLSA-N 0 1 383.290 2.922 20 0 GFADMN Cc1nc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3Cl)C2)n[nH]1 ZINC000577991771 564739172 /nfs/dbraw/zinc/73/91/72/564739172.db2.gz WCENMYAJRBCJGM-JTQLQIEISA-N 0 1 398.692 2.957 20 0 GFADMN Cc1nnc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3Cl)C2)[nH]1 ZINC000577991771 564739174 /nfs/dbraw/zinc/73/91/74/564739174.db2.gz WCENMYAJRBCJGM-JTQLQIEISA-N 0 1 398.692 2.957 20 0 GFADMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCc2ccc(Br)cc2C1 ZINC000577994458 564739199 /nfs/dbraw/zinc/73/91/99/564739199.db2.gz GMSMYPKBBQNLQN-AWEZNQCLSA-N 0 1 375.270 2.797 20 0 GFADMN CSc1nnc(CNC(=O)c2n[nH]c3ccc(Br)cc32)s1 ZINC000527365391 564741506 /nfs/dbraw/zinc/74/15/06/564741506.db2.gz MVQAVMRSSIROBR-UHFFFAOYSA-N 0 1 384.284 2.829 20 0 GFADMN O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnc2n1CCC2 ZINC000527357317 564741959 /nfs/dbraw/zinc/74/19/59/564741959.db2.gz ZDICERAWCROARW-UHFFFAOYSA-N 0 1 377.857 2.528 20 0 GFADMN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1ccn(C)n1 ZINC000459772664 564761191 /nfs/dbraw/zinc/76/11/91/564761191.db2.gz BYOCUUHXDDYRCL-CMPLNLGQSA-N 0 1 388.693 2.927 20 0 GFADMN C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cc(F)c(Br)cc1F ZINC000527874888 564763523 /nfs/dbraw/zinc/76/35/23/564763523.db2.gz HXWRZSUPJVSBDX-NXEZZACHSA-N 0 1 397.285 2.802 20 0 GFADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc(O)cc(Br)c1 ZINC000528034524 564767336 /nfs/dbraw/zinc/76/73/36/564767336.db2.gz MIDUDFJSIKUZDS-UHFFFAOYSA-N 0 1 390.281 2.944 20 0 GFADMN O=S(=O)([N-][C@H]1CC[NH2+]C12CCC2)c1cc(Br)sc1Cl ZINC000528050904 564768004 /nfs/dbraw/zinc/76/80/04/564768004.db2.gz GMHIUXWHUIIOQZ-QMMMGPOBSA-N 0 1 385.736 2.727 20 0 GFADMN Cc1nc([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000580731768 564770837 /nfs/dbraw/zinc/77/08/37/564770837.db2.gz WHDJPRURWSZNII-PIAMENMFSA-N 0 1 375.270 2.957 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000580832892 564776429 /nfs/dbraw/zinc/77/64/29/564776429.db2.gz IKRSPQPRFKGHCA-MRXNPFEDSA-N 0 1 377.286 2.849 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000580908208 564779184 /nfs/dbraw/zinc/77/91/84/564779184.db2.gz QMEBCFJASZBZLM-JTQLQIEISA-N 0 1 395.308 2.543 20 0 GFADMN CCc1ncc(S(=O)(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)s1 ZINC000460761200 564780421 /nfs/dbraw/zinc/78/04/21/564780421.db2.gz VTCQTDDMSKUMNU-UHFFFAOYSA-N 0 1 390.870 2.955 20 0 GFADMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1 ZINC000460820730 564781448 /nfs/dbraw/zinc/78/14/48/564781448.db2.gz PUDMOJSIXFIMAC-UHFFFAOYSA-N 0 1 378.475 2.773 20 0 GFADMN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528390576 564781775 /nfs/dbraw/zinc/78/17/75/564781775.db2.gz NKSAPJPFKJPFFP-YJBOKZPZSA-N 0 1 397.357 2.794 20 0 GFADMN O=C(NC[C@@H]1COCCN1)Nc1cc(C(F)(F)F)ccc1Br ZINC000528691294 564800494 /nfs/dbraw/zinc/80/04/94/564800494.db2.gz QRIWYNMYYCZYII-SECBINFHSA-N 0 1 382.180 2.578 20 0 GFADMN O=c1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Br)cc2)n[nH]1 ZINC000528787576 564805713 /nfs/dbraw/zinc/80/57/13/564805713.db2.gz AWOIRVKBEQSAAD-CJNGLKHVSA-N 0 1 394.269 2.522 20 0 GFADMN CNS(=O)(=O)C[C@H]1CCCN1CCSc1ccnc2cc(Cl)ccc21 ZINC000492938178 564805819 /nfs/dbraw/zinc/80/58/19/564805819.db2.gz XVVLGXGPZILVLF-CQSZACIVSA-N 0 1 399.969 2.994 20 0 GFADMN COc1ccc([C@@H](NCC(=O)Nc2ccc(Br)cn2)C2CC2)cn1 ZINC000528847653 564808255 /nfs/dbraw/zinc/80/82/55/564808255.db2.gz NGDVQBIKDLLBGP-KRWDZBQOSA-N 0 1 391.269 2.927 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2Br)CCN1C ZINC000493899623 564813076 /nfs/dbraw/zinc/81/30/76/564813076.db2.gz GDLPNTDYXFYXRU-UWVGGRQHSA-N 0 1 381.723 2.864 20 0 GFADMN Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000581682680 564814026 /nfs/dbraw/zinc/81/40/26/564814026.db2.gz GNIBLNMMUGFATD-GDBMZVCRSA-N 0 1 390.281 2.686 20 0 GFADMN CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000556350045 564819521 /nfs/dbraw/zinc/81/95/21/564819521.db2.gz YKOBOTFPPYIAEF-UHFFFAOYSA-N 0 1 399.799 2.962 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(Cn2cccn2)on1 ZINC000556387252 564822525 /nfs/dbraw/zinc/82/25/25/564822525.db2.gz LIPDKHUVQIQZGG-UHFFFAOYSA-N 0 1 387.197 2.811 20 0 GFADMN O=C(NC[C@H]1COCCN1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000529374232 564832070 /nfs/dbraw/zinc/83/20/70/564832070.db2.gz JCCJIDFUQSFMTH-JSGCOSHPSA-N 0 1 388.295 2.535 20 0 GFADMN CCN(CCNC(=O)Nc1cnn(CC(F)(F)F)c1)CCC(F)(F)F ZINC000494759607 564839347 /nfs/dbraw/zinc/83/93/47/564839347.db2.gz WEPNYYJFAZMNAC-UHFFFAOYSA-N 0 1 375.317 2.841 20 0 GFADMN Cc1cc(C(=O)N2CCN(Cc3ccsc3Br)[C@H](C)C2)n[nH]1 ZINC000529600512 564843910 /nfs/dbraw/zinc/84/39/10/564843910.db2.gz LRGBVGKLCQFRRI-LLVKDONJSA-N 0 1 383.315 2.889 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)c2cc(F)ccc2I)[C@H](C)C1 ZINC000582444641 564847145 /nfs/dbraw/zinc/84/71/45/564847145.db2.gz MLMPPDYAUBBXDN-GHMZBOCLSA-N 0 1 390.240 2.985 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@H](C)c2cccc(Br)c2)CCN1C[C@H](C)O ZINC000462589429 564850928 /nfs/dbraw/zinc/85/09/28/564850928.db2.gz HKLUSUXFCQOPGI-JJRVBVJISA-N 0 1 383.330 2.856 20 0 GFADMN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000582560985 564851736 /nfs/dbraw/zinc/85/17/36/564851736.db2.gz GSIJTKBNOIKASA-UHFFFAOYSA-N 0 1 388.898 2.912 20 0 GFADMN CN1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000582603345 564854000 /nfs/dbraw/zinc/85/40/00/564854000.db2.gz VLVQPDJCTMSILU-UHFFFAOYSA-N 0 1 381.723 2.616 20 0 GFADMN CCn1nc(C)c(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)c1C ZINC000582662733 564856240 /nfs/dbraw/zinc/85/62/40/564856240.db2.gz AJJFOWTYLFEZMV-KRWDZBQOSA-N 0 1 379.302 2.773 20 0 GFADMN NC1(c2noc(-c3cc4c(cc3Br)NC(=O)CO4)n2)CCCC1 ZINC000582725156 564858855 /nfs/dbraw/zinc/85/88/55/564858855.db2.gz OSZKRBGHOLLWSB-UHFFFAOYSA-N 0 1 379.214 2.558 20 0 GFADMN COCc1nn(C)cc1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031771 564860741 /nfs/dbraw/zinc/86/07/41/564860741.db2.gz CSKNRUJVTYQEMI-HNNXBMFYSA-N 0 1 385.295 2.906 20 0 GFADMN CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2C)C[C@@H]1C ZINC000557526054 564866169 /nfs/dbraw/zinc/86/61/69/564866169.db2.gz TTXJODNQNMVHRJ-NWDGAFQWSA-N 0 1 381.322 2.502 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000497428843 564867498 /nfs/dbraw/zinc/86/74/98/564867498.db2.gz LUMJDRPFZVPICS-CQSZACIVSA-N 0 1 380.491 2.766 20 0 GFADMN Cc1[nH]c(=O)c(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1Br ZINC000463319987 564875530 /nfs/dbraw/zinc/87/55/30/564875530.db2.gz MLDKGGPFIXFMMD-UHFFFAOYSA-N 0 1 379.189 2.804 20 0 GFADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000497877557 564878781 /nfs/dbraw/zinc/87/87/81/564878781.db2.gz WZDHCOUEQARMMP-UHFFFAOYSA-N 0 1 376.385 2.578 20 0 GFADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCn1cc(Br)ccc1=O ZINC000497899724 564879268 /nfs/dbraw/zinc/87/92/68/564879268.db2.gz PYDQZHVEGKTMCQ-UHFFFAOYSA-N 0 1 375.173 2.609 20 0 GFADMN CN(CCc1cccc(Br)c1)CC(=O)NC(=O)NCc1ccco1 ZINC000463426503 564880018 /nfs/dbraw/zinc/88/00/18/564880018.db2.gz AWOPTMUNVNJELH-UHFFFAOYSA-N 0 1 394.269 2.542 20 0 GFADMN CN(Cc1cccnc1)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000463451961 564881236 /nfs/dbraw/zinc/88/12/36/564881236.db2.gz HNLNJUFZFDVQDW-UHFFFAOYSA-N 0 1 392.200 2.835 20 0 GFADMN Cc1cccc2nc(CNS(=O)(=O)c3cncc(Br)c3)[nH]c21 ZINC000497949570 564881634 /nfs/dbraw/zinc/88/16/34/564881634.db2.gz JMDRPIRFJDYEEK-UHFFFAOYSA-N 0 1 381.255 2.507 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498013235 564885386 /nfs/dbraw/zinc/88/53/86/564885386.db2.gz NIBMSMXHJIYSGX-RDJZCZTQSA-N 0 1 395.341 2.808 20 0 GFADMN C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530590113 564888501 /nfs/dbraw/zinc/88/85/01/564888501.db2.gz CBLDLXWIIPMAQF-IUODEOHRSA-N 0 1 379.913 2.939 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000558482325 564903508 /nfs/dbraw/zinc/90/35/08/564903508.db2.gz WURMMKHNWQCOBA-ZDUSSCGKSA-N 0 1 377.348 2.641 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@H](O)C12CCCC2 ZINC000558506856 564904293 /nfs/dbraw/zinc/90/42/93/564904293.db2.gz MWTKXTOKSDGYJN-HNNXBMFYSA-N 0 1 391.265 2.810 20 0 GFADMN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCN1C1CC1 ZINC000583729386 564904955 /nfs/dbraw/zinc/90/49/55/564904955.db2.gz RILOAJXOQIOVQM-KRWDZBQOSA-N 0 1 389.297 2.878 20 0 GFADMN O=S(=O)(N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1c(F)cccc1Cl ZINC000464422516 564906226 /nfs/dbraw/zinc/90/62/26/564906226.db2.gz RFVHQUYIDYDAGX-KBPBESRZSA-N 0 1 393.814 2.995 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000558654272 564909508 /nfs/dbraw/zinc/90/95/08/564909508.db2.gz WRQOWVIYPFBVKO-GOSISDBHSA-N 0 1 376.250 2.931 20 0 GFADMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000498813951 564909890 /nfs/dbraw/zinc/90/98/90/564909890.db2.gz ZHIZNPWSKAHOQX-GHMZBOCLSA-N 0 1 375.270 2.818 20 0 GFADMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000498813951 564909892 /nfs/dbraw/zinc/90/98/92/564909892.db2.gz ZHIZNPWSKAHOQX-GHMZBOCLSA-N 0 1 375.270 2.818 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000531442855 564910302 /nfs/dbraw/zinc/91/03/02/564910302.db2.gz QYSKSFDWXFAPLG-IAGOWNOFSA-N 0 1 395.345 2.541 20 0 GFADMN CN(C)S(=O)(=O)CCN[C@H]1CCc2c1cc(Cl)cc2Br ZINC000583901746 564911569 /nfs/dbraw/zinc/91/15/69/564911569.db2.gz QNXXMKNOWUOFAF-ZDUSSCGKSA-N 0 1 381.723 2.571 20 0 GFADMN CCCN(Cc1cc(Br)cc2cccnc21)[C@@H]1CC(=O)N(C)C1=O ZINC000558727934 564913512 /nfs/dbraw/zinc/91/35/12/564913512.db2.gz BGVZRXXDTBCNAZ-OAHLLOKOSA-N 0 1 390.281 2.967 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C1 ZINC000558846111 564916542 /nfs/dbraw/zinc/91/65/42/564916542.db2.gz LTDNDGKMXPIZEG-ZDUSSCGKSA-N 0 1 379.917 2.831 20 0 GFADMN C[C@H](NC(=O)CN1CCC[C@@]2(CNC(=O)C2)C1)c1ccc(Cl)cc1Cl ZINC000464803091 564918889 /nfs/dbraw/zinc/91/88/89/564918889.db2.gz VYLOFHKIEFRADT-KPZWWZAWSA-N 0 1 384.307 2.773 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000531756445 564919951 /nfs/dbraw/zinc/91/99/51/564919951.db2.gz LGTTYNZBEBYFMY-CYBMUJFWSA-N 0 1 377.238 2.981 20 0 GFADMN CCC[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CCN1CCOC ZINC000499444552 564928208 /nfs/dbraw/zinc/92/82/08/564928208.db2.gz FXQFEEXPRRYMTK-QGZVFWFLSA-N 0 1 383.330 2.951 20 0 GFADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cncc(Br)c1 ZINC000465488296 564928820 /nfs/dbraw/zinc/92/88/20/564928820.db2.gz DAJUXZQASOFOAX-UHFFFAOYSA-N 0 1 390.347 2.729 20 0 GFADMN CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000532288834 564934177 /nfs/dbraw/zinc/93/41/77/564934177.db2.gz UNHUKYSJUHVWOV-ZDUSSCGKSA-N 0 1 380.901 2.899 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1cc(F)ccc1Br ZINC000532456824 564938522 /nfs/dbraw/zinc/93/85/22/564938522.db2.gz QGKGZNPIMKJHDV-UHFFFAOYSA-N 0 1 384.205 2.978 20 0 GFADMN COCC1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CC1 ZINC000559986835 564944102 /nfs/dbraw/zinc/94/41/02/564944102.db2.gz IGZYJHAHRZKYBJ-UHFFFAOYSA-N 0 1 376.214 2.962 20 0 GFADMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C[NH+](C)C)c(Br)c1 ZINC000466963601 564951720 /nfs/dbraw/zinc/95/17/20/564951720.db2.gz FEVGUDMOTSXEFU-UHFFFAOYSA-N 0 1 388.287 2.916 20 0 GFADMN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(I)cc1Cl ZINC000500376047 564952259 /nfs/dbraw/zinc/95/22/59/564952259.db2.gz KDDKKXWJKHOOCS-PRHODGIISA-N 0 1 378.641 2.559 20 0 GFADMN Cc1cc(C(=O)NCCN2CCCOCC2)cc(Cl)c1Br ZINC000560231075 564954460 /nfs/dbraw/zinc/95/44/60/564954460.db2.gz IWDKERULLVQLHB-UHFFFAOYSA-N 0 1 375.694 2.863 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@H]1N1CCCC1 ZINC000560292928 564955908 /nfs/dbraw/zinc/95/59/08/564955908.db2.gz HHPKWOJRYSYLQT-HOCLYGCPSA-N 0 1 384.498 2.772 20 0 GFADMN Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCCc1nc[nH]n1 ZINC000560445705 564962539 /nfs/dbraw/zinc/96/25/39/564962539.db2.gz VXXCHIWSKGEHAR-UHFFFAOYSA-N 0 1 376.258 2.648 20 0 GFADMN Cc1nc(C)c(CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)o1 ZINC000560552870 564967393 /nfs/dbraw/zinc/96/73/93/564967393.db2.gz XJHRMQNDBKPINO-UHFFFAOYSA-N 0 1 376.210 2.825 20 0 GFADMN O=C(c1cc(F)c(Br)c(Cl)c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000560606027 564970056 /nfs/dbraw/zinc/97/00/56/564970056.db2.gz KNRNDJFDXWUXHQ-SSDOTTSWSA-N 0 1 388.628 2.775 20 0 GFADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccsc2)c(OC)c1 ZINC000534162571 564981061 /nfs/dbraw/zinc/98/10/61/564981061.db2.gz GHNPTLWDFJLWRK-UHFFFAOYSA-N 0 1 390.508 2.709 20 0 GFADMN COCCN(CCN1CCO[C@@H](C)C1)Cc1ccc(Br)s1 ZINC000501877042 564987344 /nfs/dbraw/zinc/98/73/44/564987344.db2.gz WLFRDLIITRQPET-ZDUSSCGKSA-N 0 1 377.348 2.680 20 0 GFADMN CCN1CCCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468608217 564987832 /nfs/dbraw/zinc/98/78/32/564987832.db2.gz LNZTXNGMXPRDSH-AWEZNQCLSA-N 0 1 393.285 2.990 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2COc3ccccc3C2)s1 ZINC000561274018 564989274 /nfs/dbraw/zinc/98/92/74/564989274.db2.gz UXKKFGVKLOCPCZ-HNNXBMFYSA-N 0 1 380.535 2.872 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)n[nH]1 ZINC000561382695 564992931 /nfs/dbraw/zinc/99/29/31/564992931.db2.gz VNZMOOWYAJDLAE-SECBINFHSA-N 0 1 375.230 2.552 20 0 GFADMN CCSCc1ccnc(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)c1 ZINC000534907456 564999544 /nfs/dbraw/zinc/99/95/44/564999544.db2.gz WNTNGEATIKFROF-UHFFFAOYSA-N 0 1 382.463 2.628 20 0 GFADMN O=S(=O)(c1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)o1)N1CCCC1 ZINC000502479803 564999601 /nfs/dbraw/zinc/99/96/01/564999601.db2.gz GCIIDUPATUFELN-ZIAGYGMSSA-N 0 1 378.441 2.704 20 0 GFADMN CSc1n[nH]c(NC(=O)c2scc(C)c2I)n1 ZINC000469000634 565001509 /nfs/dbraw/zinc/00/15/09/565001509.db2.gz QDBCTBWIFQUBPR-UHFFFAOYSA-N 0 1 380.236 2.753 20 0 GFADMN COc1ccc(NC(=O)CCN2CCC[C@H](S(C)(=O)=O)CC2)cc1Cl ZINC000502800903 565005081 /nfs/dbraw/zinc/00/50/81/565005081.db2.gz BTEYYRVVIKFDPG-AWEZNQCLSA-N 0 1 388.917 2.576 20 0 GFADMN CO[C@@H](CCNS(=O)(=O)c1sccc1Br)C(F)(F)F ZINC000469093693 565005580 /nfs/dbraw/zinc/00/55/80/565005580.db2.gz UIKVJTZDCNNHLG-ZETCQYMHSA-N 0 1 382.223 2.756 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)c3c(F)cc(Br)cc3F)cc21 ZINC000535563503 565015236 /nfs/dbraw/zinc/01/52/36/565015236.db2.gz XARNVXXXPJHJLQ-UHFFFAOYSA-N 0 1 395.163 2.955 20 0 GFADMN COc1ccc2c(c1)OC[C@@H](NC(=O)c1cccc(Br)c1O)C2 ZINC000535827406 565022071 /nfs/dbraw/zinc/02/20/71/565022071.db2.gz IBQZTDNOXVGZBK-NSHDSACASA-N 0 1 378.222 2.897 20 0 GFADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000503551432 565023296 /nfs/dbraw/zinc/02/32/96/565023296.db2.gz MOCFEFMHYDSZRM-HZSPNIEDSA-N 0 1 384.318 2.607 20 0 GFADMN CSc1nc(=NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)s[n-]1 ZINC000469676542 565023819 /nfs/dbraw/zinc/02/38/19/565023819.db2.gz FDBWKROHDMLUOF-AWEZNQCLSA-N 0 1 379.555 2.960 20 0 GFADMN CCN1CCCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000536065076 565027758 /nfs/dbraw/zinc/02/77/58/565027758.db2.gz NAVBTTXJGHITDT-HNNXBMFYSA-N 0 1 382.302 2.720 20 0 GFADMN COC(=O)[C@H](CNC(=O)c1cccc(Br)c1O)c1ccc(F)cc1 ZINC000562445295 565029749 /nfs/dbraw/zinc/02/97/49/565029749.db2.gz KPFNEJYNZGLDFG-CYBMUJFWSA-N 0 1 396.212 2.980 20 0 GFADMN CC[C@@H](CNC(=O)CN1CCN(CC)CC1)Cc1cccc(Br)c1 ZINC000469853655 565030039 /nfs/dbraw/zinc/03/00/39/565030039.db2.gz CMWPPJMUKWAEFX-MRXNPFEDSA-N 0 1 396.373 2.772 20 0 GFADMN O=S(=O)(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000536141904 565030772 /nfs/dbraw/zinc/03/07/72/565030772.db2.gz ONHLRMYMUPUYAJ-ZDUSSCGKSA-N 0 1 381.322 2.996 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000504104688 565035500 /nfs/dbraw/zinc/03/55/00/565035500.db2.gz SFUHFROWFQAEHM-MYLCLEHYSA-N 0 1 386.323 2.946 20 0 GFADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C ZINC000536393199 565036236 /nfs/dbraw/zinc/03/62/36/565036236.db2.gz QKECNEXQHWBUKU-GFCCVEGCSA-N 0 1 392.543 2.512 20 0 GFADMN COc1ccc2c(c1)OC[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000504388165 565038941 /nfs/dbraw/zinc/03/89/41/565038941.db2.gz OOTHJAZLSMKSTP-RHSMWYFYSA-N 0 1 391.265 2.577 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)NC[C@H](C)Oc2cccc(Br)c2)n[nH]1 ZINC000536522215 565039142 /nfs/dbraw/zinc/03/91/42/565039142.db2.gz TWSBYHFNHJHZFV-WDEREUQCSA-N 0 1 396.289 2.957 20 0 GFADMN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cccc(Br)c2O)cn1 ZINC000536711046 565045950 /nfs/dbraw/zinc/04/59/50/565045950.db2.gz XIBWUPBRIUAWIE-GFCCVEGCSA-N 0 1 392.253 2.766 20 0 GFADMN CS(=O)(=O)[C@@H]1CCCC[C@H]1N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406111 565058200 /nfs/dbraw/zinc/05/82/00/565058200.db2.gz DLFMUERNTXQLCN-HFBAOOFYSA-N 0 1 388.892 2.530 20 0 GFADMN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000684655654 565077571 /nfs/dbraw/zinc/07/75/71/565077571.db2.gz SFUBTTIAEUAAJD-UHFFFAOYSA-N 0 1 395.289 2.702 20 0 GFADMN O=C(NCc1nc(-c2cccc(Br)c2)no1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635873517 565078472 /nfs/dbraw/zinc/07/84/72/565078472.db2.gz CPRVEDJOSHOWBR-VXGBXAGGSA-N 0 1 388.225 2.642 20 0 GFADMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCCc2n[nH]nc21 ZINC000613902618 565085857 /nfs/dbraw/zinc/08/58/57/565085857.db2.gz REEVTTVYXIEEKO-RYUDHWBXSA-N 0 1 380.279 2.927 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000635986449 565086314 /nfs/dbraw/zinc/08/63/14/565086314.db2.gz DXKXTDYBZNCXCV-CQSZACIVSA-N 0 1 392.301 2.909 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc2ncsc2c1)c1ccccc1F ZINC000613934460 565086959 /nfs/dbraw/zinc/08/69/59/565086959.db2.gz QOYPBHKUWHHWHI-OAHLLOKOSA-N 0 1 380.422 2.628 20 0 GFADMN O=C(C1=CCS(=O)(=O)C1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000636014609 565087132 /nfs/dbraw/zinc/08/71/32/565087132.db2.gz OKMHGZAODJDGGJ-OAHLLOKOSA-N 0 1 379.869 2.625 20 0 GFADMN CCCn1c(=O)[nH]nc1SCC(=O)COc1ccc(Br)cc1 ZINC000657231928 565092003 /nfs/dbraw/zinc/09/20/03/565092003.db2.gz QJNQYIIZAQSYKR-UHFFFAOYSA-N 0 1 386.271 2.896 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000685074995 565095181 /nfs/dbraw/zinc/09/51/81/565095181.db2.gz AFGFOHZWBLRJBK-OKILXGFUSA-N 0 1 396.329 2.510 20 0 GFADMN O=C(c1cc(Cl)cc(Br)c1F)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000584819017 565099819 /nfs/dbraw/zinc/09/98/19/565099819.db2.gz ZFTZZEICAREEJU-ZETCQYMHSA-N 0 1 388.628 2.775 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cscc2Br)C1 ZINC000685411356 565104956 /nfs/dbraw/zinc/10/49/56/565104956.db2.gz QNKRKBUUUMLMPL-RYUDHWBXSA-N 0 1 375.332 2.874 20 0 GFADMN CO[C@H](CNCc1c(Br)cncc1Br)[C@H]1CCOC1 ZINC000657540605 565107458 /nfs/dbraw/zinc/10/74/58/565107458.db2.gz IRJCAUGFNIDGIO-TVQRCGJNSA-N 0 1 394.107 2.748 20 0 GFADMN COc1cc(CN[C@@H]2Cc3ccccc3N(C)C2=O)cc(Br)c1O ZINC000657572547 565110675 /nfs/dbraw/zinc/11/06/75/565110675.db2.gz ZZMFDUYGTLGFSQ-CQSZACIVSA-N 0 1 391.265 2.841 20 0 GFADMN CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)n1 ZINC000614389669 565110819 /nfs/dbraw/zinc/11/08/19/565110819.db2.gz ONXIJHYTGNXWRM-VIFPVBQESA-N 0 1 398.261 2.509 20 0 GFADMN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc3c(c2)COC3)c1O ZINC000586750626 565113656 /nfs/dbraw/zinc/11/36/56/565113656.db2.gz HSUHKBKSCXPTDX-UHFFFAOYSA-N 0 1 383.809 2.663 20 0 GFADMN O=C(NC[C@H]1CN2CCN1CCC2)c1cc(Br)cc2ccccc21 ZINC000614506826 565116353 /nfs/dbraw/zinc/11/63/53/565116353.db2.gz JERPYZZCEFORGK-INIZCTEOSA-N 0 1 388.309 2.722 20 0 GFADMN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1O ZINC000685734577 565120787 /nfs/dbraw/zinc/12/07/87/565120787.db2.gz JGXOPJHVYLWKSI-UHFFFAOYSA-N 0 1 375.233 2.616 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2cc(Br)cc(N3CCCC3)c2)n[nH]1 ZINC000614796204 565133077 /nfs/dbraw/zinc/13/30/77/565133077.db2.gz WFLJPMNXRFYKOS-SNVBAGLBSA-N 0 1 378.274 2.967 20 0 GFADMN CCc1cc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)n2ncnc2n1 ZINC000588663843 565135612 /nfs/dbraw/zinc/13/56/12/565135612.db2.gz CZSSWWNJUYVTLN-UHFFFAOYSA-N 0 1 399.256 2.846 20 0 GFADMN CCc1cc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)n2ncnc2n1 ZINC000588663843 565135615 /nfs/dbraw/zinc/13/56/15/565135615.db2.gz CZSSWWNJUYVTLN-UHFFFAOYSA-N 0 1 399.256 2.846 20 0 GFADMN O=C(CC[C@@H]1CCCO1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000588652947 565136173 /nfs/dbraw/zinc/13/61/73/565136173.db2.gz LHQIGNVFDIMJKQ-ZDUSSCGKSA-N 0 1 379.258 2.810 20 0 GFADMN O=C(CC[C@@H]1CCCO1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000588652947 565136176 /nfs/dbraw/zinc/13/61/76/565136176.db2.gz LHQIGNVFDIMJKQ-ZDUSSCGKSA-N 0 1 379.258 2.810 20 0 GFADMN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080862 565138035 /nfs/dbraw/zinc/13/80/35/565138035.db2.gz SASLPKIZSFEILJ-IINYFYTJSA-N 0 1 385.299 2.785 20 0 GFADMN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080861 565138327 /nfs/dbraw/zinc/13/83/27/565138327.db2.gz SASLPKIZSFEILJ-HZMBPMFUSA-N 0 1 385.299 2.785 20 0 GFADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc2cncc(Br)c2n1 ZINC000637380092 565153572 /nfs/dbraw/zinc/15/35/72/565153572.db2.gz PQHXXCJXUZYVOH-IJLUTSLNSA-N 0 1 377.286 2.945 20 0 GFADMN O=S1(=O)CC[C@H](N[C@@H]2C[C@@H](O)C23CCC3)c2cc(Br)ccc21 ZINC000658253990 565155926 /nfs/dbraw/zinc/15/59/26/565155926.db2.gz WZRTVEFNCYJJKH-NWANDNLSSA-N 0 1 386.311 2.561 20 0 GFADMN CN(C)C[C@@H](NC(=O)NC[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000637472680 565159384 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ZINC000637943480 565177696 /nfs/dbraw/zinc/17/76/96/565177696.db2.gz FYZPWOXTEVDAOE-UHFFFAOYSA-N 0 1 375.270 2.550 20 0 GFADMN CO[C@@H](CNCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCOC1 ZINC000638344298 565192891 /nfs/dbraw/zinc/19/28/91/565192891.db2.gz TWSPJNOSKOBKIM-SKDRFNHKSA-N 0 1 378.782 2.543 20 0 GFADMN COc1nsc(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1Br ZINC000638380769 565194023 /nfs/dbraw/zinc/19/40/23/565194023.db2.gz DMBUKRBZMAOFMZ-QMMMGPOBSA-N 0 1 388.253 2.888 20 0 GFADMN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCN(CCO)C(C)(C)C1 ZINC000616780630 565209382 /nfs/dbraw/zinc/20/93/82/565209382.db2.gz IBEFIWPTBXWYSM-HNNXBMFYSA-N 0 1 375.296 2.596 20 0 GFADMN COc1cccc([C@H](N)C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC000638831408 565214299 /nfs/dbraw/zinc/21/42/99/565214299.db2.gz KPYKGOUHXVZWTM-XOYOTBSWSA-N 0 1 387.277 2.912 20 0 GFADMN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cccc(Br)c1O ZINC000616910247 565215760 /nfs/dbraw/zinc/21/57/60/565215760.db2.gz HOWCPSSXWBNJEA-INIZCTEOSA-N 0 1 398.297 2.842 20 0 GFADMN CCN1CCCC[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000591162740 565217462 /nfs/dbraw/zinc/21/74/62/565217462.db2.gz IWUUQVLHSFRPPS-AWEZNQCLSA-N 0 1 383.286 2.711 20 0 GFADMN O=C([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc(Br)c1)C2 ZINC000659791033 565223594 /nfs/dbraw/zinc/22/35/94/565223594.db2.gz KAGLZEXGCJLFCJ-INIZCTEOSA-N 0 1 392.249 2.903 20 0 GFADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc(Br)c1)C2 ZINC000659791033 565223601 /nfs/dbraw/zinc/22/36/01/565223601.db2.gz KAGLZEXGCJLFCJ-INIZCTEOSA-N 0 1 392.249 2.903 20 0 GFADMN CNS(=O)(=O)c1ccc(CN(C)Cc2cccc(Br)c2)cc1 ZINC000659854577 565226388 /nfs/dbraw/zinc/22/63/88/565226388.db2.gz YWACBSVIHLOBTI-UHFFFAOYSA-N 0 1 383.311 2.989 20 0 GFADMN CN(Cc1cnn2cc(Br)cnc12)C[C@@H](O)Cc1ccccc1 ZINC000639204868 565232451 /nfs/dbraw/zinc/23/24/51/565232451.db2.gz UIHILCJKNSBAEI-INIZCTEOSA-N 0 1 375.270 2.527 20 0 GFADMN COc1nsc(CNC[C@@H](O)Cc2cccc(F)c2)c1Br ZINC000639212885 565234184 /nfs/dbraw/zinc/23/41/84/565234184.db2.gz AAPBMJDRILXMKE-NSHDSACASA-N 0 1 375.263 2.747 20 0 GFADMN COc1nsc(CNC[C@@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000639236739 565234555 /nfs/dbraw/zinc/23/45/55/565234555.db2.gz WJOOBFUOINTIBD-LLVKDONJSA-N 0 1 394.298 2.954 20 0 GFADMN CC(C)(C)N1C[C@@H](CNS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1=O ZINC000660042190 565242207 /nfs/dbraw/zinc/24/22/07/565242207.db2.gz HDZLILZIUGPFEE-SECBINFHSA-N 0 1 380.844 2.544 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000592095765 565255278 /nfs/dbraw/zinc/25/52/78/565255278.db2.gz KSTFJOKKDLFCFF-MRXNPFEDSA-N 0 1 381.314 2.708 20 0 GFADMN COCCN1CCC[C@H](NC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000592092772 565256218 /nfs/dbraw/zinc/25/62/18/565256218.db2.gz BITJDIBMXGSKRU-LBPRGKRZSA-N 0 1 380.286 2.771 20 0 GFADMN CC(C)c1nc(CC2CCN(Cc3nn(C)cc3Br)CC2)n[nH]1 ZINC000639717089 565257221 /nfs/dbraw/zinc/25/72/21/565257221.db2.gz XFNMLUIZQJFYNQ-UHFFFAOYSA-N 0 1 381.322 2.879 20 0 GFADMN CC(C)c1nnc(CC2CCN(Cc3nn(C)cc3Br)CC2)[nH]1 ZINC000639717089 565257226 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CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(CN)o1 ZINC000592538704 565280986 /nfs/dbraw/zinc/28/09/86/565280986.db2.gz BVNMXJSKANHGLZ-CQSZACIVSA-N 0 1 385.247 2.949 20 0 GFADMN COC(=O)[C@@H]1CNCCCN1C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000592550022 565281981 /nfs/dbraw/zinc/28/19/81/565281981.db2.gz CRDQZLIZMRHABQ-MFKMUULPSA-N 0 1 391.320 2.838 20 0 GFADMN COC(=O)[C@@H]1CNCCCN1C(=O)c1cc(Br)cc2ccccc21 ZINC000592548862 565282058 /nfs/dbraw/zinc/28/20/58/565282058.db2.gz FYXXVTUHXMVNQJ-INIZCTEOSA-N 0 1 391.265 2.579 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@](O)(C2CC2)C1 ZINC000618291200 565284804 /nfs/dbraw/zinc/28/48/04/565284804.db2.gz ATIOMKZHYAEZME-GOSISDBHSA-N 0 1 391.265 2.668 20 0 GFADMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CC1CN(C)C1 ZINC000660987108 565301449 /nfs/dbraw/zinc/30/14/49/565301449.db2.gz PLSMNYKTDCJSHA-MLGOLLRUSA-N 0 1 384.318 2.728 20 0 GFADMN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)N[C@H]1CCCc2cn[nH]c21 ZINC000640385815 565305892 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CC[C@@H](C(=O)[O-])[N@@H+](C)CCCOc1cccc(I)c1 ZINC000593288861 565325728 /nfs/dbraw/zinc/32/57/28/565325728.db2.gz PQDRXJQIGIGBLE-ZDUSSCGKSA-N 0 1 377.222 2.855 20 0 GFADMN O=C(CCN1CCN(c2ccc(Br)cc2)CC1)Nc1cccnc1 ZINC000661576670 565328706 /nfs/dbraw/zinc/32/87/06/565328706.db2.gz NEPJFPNLJDEXHF-UHFFFAOYSA-N 0 1 389.297 2.995 20 0 GFADMN C[C@@H]1CN(CCN2CCN(c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000661576908 565328880 /nfs/dbraw/zinc/32/88/80/565328880.db2.gz REWIEOCTAOJYTR-HZPDHXFCSA-N 0 1 382.346 2.680 20 0 GFADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661606229 565330590 /nfs/dbraw/zinc/33/05/90/565330590.db2.gz UVZMWVYFYFPPBM-CZUORRHYSA-N 0 1 384.307 2.552 20 0 GFADMN CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCCSc3ccccc3Cl)C[C@H]21 ZINC000661882658 565341473 /nfs/dbraw/zinc/34/14/73/565341473.db2.gz WJOUJGCRUOYBOM-BJJXKVORSA-N 0 1 375.943 2.566 20 0 GFADMN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593569977 565342927 /nfs/dbraw/zinc/34/29/27/565342927.db2.gz 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CCN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000632407787 566029658 /nfs/dbraw/zinc/02/96/58/566029658.db2.gz GRJOWLHHHWZBHA-UHFFFAOYSA-N 0 1 380.432 2.831 20 0 GFADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)c1nn[nH]n1 ZINC000632437337 566031754 /nfs/dbraw/zinc/03/17/54/566031754.db2.gz XEYQTTRKKMBQPV-HICWGWBUSA-N 0 1 378.274 2.502 20 0 GFADMN CSc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)ccn1 ZINC000679204897 566033045 /nfs/dbraw/zinc/03/30/45/566033045.db2.gz UIBWGMPTQMDQTN-UHFFFAOYSA-N 0 1 379.385 2.940 20 0 GFADMN COC(=O)c1cc(CNC(=O)c2cccc(Br)c2O)ccc1OC ZINC000609316744 566035535 /nfs/dbraw/zinc/03/55/35/566035535.db2.gz ATCCRBXEPHLNMA-UHFFFAOYSA-N 0 1 394.221 2.880 20 0 GFADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)CCc1c[nH]nn1 ZINC000632540545 566044254 /nfs/dbraw/zinc/04/42/54/566044254.db2.gz LTRZYMSZAUWSKH-INIZCTEOSA-N 0 1 395.301 2.654 20 0 GFADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)CCc1cnn[nH]1 ZINC000632540545 566044258 /nfs/dbraw/zinc/04/42/58/566044258.db2.gz 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COc1cc(Br)c(CNCc2n[nH]c([C@@H]3CCCO3)n2)cc1OC ZINC000655820492 566092096 /nfs/dbraw/zinc/09/20/96/566092096.db2.gz VDZZJNGIYFFIGT-LBPRGKRZSA-N 0 1 397.273 2.726 20 0 GFADMN O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000681196359 566097721 /nfs/dbraw/zinc/09/77/21/566097721.db2.gz DIDIGRWLUAWWBB-OAHLLOKOSA-N 0 1 387.237 2.698 20 0 GFADMN C[C@H](NCCOC[C@@H]1CCOC1)c1ccccc1I ZINC000610815096 566101222 /nfs/dbraw/zinc/10/12/22/566101222.db2.gz PZHLQCGSMJJQFS-QWHCGFSZSA-N 0 1 375.250 2.995 20 0 GFADMN O=S1(=O)CC[C@H](NC2CCN(CC(F)(F)F)CC2)c2cc(F)ccc21 ZINC000681392732 566104900 /nfs/dbraw/zinc/10/49/00/566104900.db2.gz QLQNCMXFKPYMCK-AWEZNQCLSA-N 0 1 380.407 2.661 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1sccc1Br ZINC000633532254 566107834 /nfs/dbraw/zinc/10/78/34/566107834.db2.gz RZANUPXRRFRCFD-ZDUSSCGKSA-N 0 1 392.282 2.755 20 0 GFADMN CCN(CCOCCO)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656259542 566119484 /nfs/dbraw/zinc/11/94/84/566119484.db2.gz KZZCRTNNRUAPNK-UHFFFAOYSA-N 0 1 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COc1nn(C)cc1NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000634791899 566176799 /nfs/dbraw/zinc/17/67/99/566176799.db2.gz SXUOIRDHJZPXDE-UHFFFAOYSA-N 0 1 385.314 2.884 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)n[nH]1 ZINC000613123680 566186394 /nfs/dbraw/zinc/18/63/94/566186394.db2.gz MWTSFKZQQVNXLA-SSDOTTSWSA-N 0 1 393.245 2.764 20 0 GFADMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656935898 566188056 /nfs/dbraw/zinc/18/80/56/566188056.db2.gz UPUVXFOJWJJSMG-LBPRGKRZSA-N 0 1 381.723 2.817 20 0 GFADMN Cc1nc(CC(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n[nH]1 ZINC000613435054 566197964 /nfs/dbraw/zinc/19/79/64/566197964.db2.gz KEHUMZJWGSLXET-UHFFFAOYSA-N 0 1 382.295 2.743 20 0 GFADMN CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1Br ZINC000657036055 566210648 /nfs/dbraw/zinc/21/06/48/566210648.db2.gz YBHUOSBTFZKOBI-CYBMUJFWSA-N 0 1 375.332 2.741 20 0 GFADMN O=S(=O)([N-]CC1CC[NH+](C2CCOCC2)CC1)c1sccc1Cl ZINC000657041931 566211793 /nfs/dbraw/zinc/21/17/93/566211793.db2.gz KLMGIGIWZYKZNK-UHFFFAOYSA-N 0 1 378.947 2.571 20 0 GFADMN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000657057088 566214354 /nfs/dbraw/zinc/21/43/54/566214354.db2.gz CWCCGRWRTHMWCI-GFCCVEGCSA-N 0 1 391.331 2.609 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)Cc2nc3ccccc3n2C)c1Br ZINC000684048739 566223814 /nfs/dbraw/zinc/22/38/14/566223814.db2.gz CQECRHUDSSVDFK-UHFFFAOYSA-N 0 1 376.258 2.894 20 0 GFADMN COCCOc1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635775599 566224629 /nfs/dbraw/zinc/22/46/29/566224629.db2.gz DIWDORAQISQQGM-VXGBXAGGSA-N 0 1 380.242 2.940 20 0 GFADMN Cc1cc(CNC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000684375405 566234777 /nfs/dbraw/zinc/23/47/77/566234777.db2.gz LELBPFRGQRYDCS-CYBMUJFWSA-N 0 1 376.766 2.923 20 0 GFADMN CS(=O)(=O)C1(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000684557992 566238694 /nfs/dbraw/zinc/23/86/94/566238694.db2.gz SQXJNSUTFOBPKJ-CABCVRRESA-N 0 1 388.327 2.836 20 0 GFADMN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Br)cc2Cl)cn1 ZINC000275702720 570698363 /nfs/dbraw/zinc/69/83/63/570698363.db2.gz XSTPRWMANWNIJL-ZBFHGGJFSA-N 0 1 397.704 2.946 20 0 GFADMN O=C(CCN1CCc2c(Cl)cccc2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737846210 598865603 /nfs/dbraw/zinc/86/56/03/598865603.db2.gz HKOBWDHQAUIDKH-UHFFFAOYSA-N 0 1 382.855 2.907 20 0 GFADMN C[C@@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115133 598878209 /nfs/dbraw/zinc/87/82/09/598878209.db2.gz XGHQAQNENDHISB-MRXNPFEDSA-N 0 1 397.527 2.663 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1sccc1-c1nn[nH]n1 ZINC000736286329 598943376 /nfs/dbraw/zinc/94/33/76/598943376.db2.gz BQNQFDWXWOJMLB-CQSZACIVSA-N 0 1 382.493 2.665 20 0 GFADMN Cn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1-c1cccs1 ZINC000737594540 598957069 /nfs/dbraw/zinc/95/70/69/598957069.db2.gz YBMPQHVNTHCRNC-UHFFFAOYSA-N 0 1 393.461 2.818 20 0 GFADMN C[NH+](C)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736759256 598960104 /nfs/dbraw/zinc/96/01/04/598960104.db2.gz LDAJRNXYCWQRFN-MRXNPFEDSA-N 0 1 378.415 2.664 20 0 GFADMN C[NH+](C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736759256 598960105 /nfs/dbraw/zinc/96/01/05/598960105.db2.gz LDAJRNXYCWQRFN-MRXNPFEDSA-N 0 1 378.415 2.664 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)CC1 ZINC000736275975 598962777 /nfs/dbraw/zinc/96/27/77/598962777.db2.gz LTIKHRIHPCJRLW-INIZCTEOSA-N 0 1 392.511 2.758 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)CC1 ZINC000736275975 598962778 /nfs/dbraw/zinc/96/27/78/598962778.db2.gz LTIKHRIHPCJRLW-INIZCTEOSA-N 0 1 392.511 2.758 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821824126 607255176 /nfs/dbraw/zinc/25/51/76/607255176.db2.gz HKKPGPSGIAJCNV-UHFFFAOYSA-N 0 1 379.829 2.638 20 0 GFADMN CC1CCC([NH+]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)CC1 ZINC000736240799 598969200 /nfs/dbraw/zinc/96/92/00/598969200.db2.gz LRROHTAXCONQJY-UHFFFAOYSA-N 0 1 378.484 2.511 20 0 GFADMN CC1CCC([NH+]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)CC1 ZINC000736240799 598969202 /nfs/dbraw/zinc/96/92/02/598969202.db2.gz LRROHTAXCONQJY-UHFFFAOYSA-N 0 1 378.484 2.511 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCCO[C@H](c2ccccc2)C1 ZINC000737033355 598986341 /nfs/dbraw/zinc/98/63/41/598986341.db2.gz UHJVEHSGAAIAET-FQEVSTJZSA-N 0 1 395.463 2.718 20 0 GFADMN CC(C)[C@@H](C(=O)OCCCOc1ccc(-c2nn[nH]n2)cc1)N1CCCCC1 ZINC000735692752 599016482 /nfs/dbraw/zinc/01/64/82/599016482.db2.gz UEKHXSSAUBUBQH-SFHVURJKSA-N 0 1 387.484 2.689 20 0 GFADMN C[C@@](CO)(NCc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000736038513 599176060 /nfs/dbraw/zinc/17/60/60/599176060.db2.gz VQWFXSLYIBRKKA-KRWDZBQOSA-N 0 1 377.370 2.883 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2ccco2)cc1-c1nn[nH]n1 ZINC000737187732 599183890 /nfs/dbraw/zinc/18/38/90/599183890.db2.gz SNEWZJUCYOMJPO-LBPRGKRZSA-N 0 1 386.437 2.650 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000737062846 599236537 /nfs/dbraw/zinc/23/65/37/599236537.db2.gz RBKFPHIPYUSXRL-UHFFFAOYSA-N 0 1 387.465 2.974 20 0 GFADMN O=C([O-])C1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000666540884 597814208 /nfs/dbraw/zinc/81/42/08/597814208.db2.gz UWANLESCJDSZIL-KMMPOOCJSA-N 0 1 385.508 2.840 20 0 GFADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1F)N1CCN(c2ccccc2)CC1 ZINC000736025173 598237814 /nfs/dbraw/zinc/23/78/14/598237814.db2.gz DWVJANMQNCSAEN-HNNXBMFYSA-N 0 1 381.459 2.628 20 0 GFADMN CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735597597 598246981 /nfs/dbraw/zinc/24/69/81/598246981.db2.gz QGTKSXZZXASBIS-MRXNPFEDSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735597597 598246983 /nfs/dbraw/zinc/24/69/83/598246983.db2.gz QGTKSXZZXASBIS-MRXNPFEDSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735597596 598247289 /nfs/dbraw/zinc/24/72/89/598247289.db2.gz QGTKSXZZXASBIS-INIZCTEOSA-N 0 1 394.483 2.501 20 0 GFADMN CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735597596 598247290 /nfs/dbraw/zinc/24/72/90/598247290.db2.gz QGTKSXZZXASBIS-INIZCTEOSA-N 0 1 394.483 2.501 20 0 GFADMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000736634546 598307482 /nfs/dbraw/zinc/30/74/82/598307482.db2.gz KYIYPDCDRAEVHS-UHFFFAOYSA-N 0 1 377.401 2.514 20 0 GFADMN Fc1cc(-c2nn[nH]n2)ccc1CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000737638271 598314910 /nfs/dbraw/zinc/31/49/10/598314910.db2.gz FLYSPVQKNOOVOS-GOSISDBHSA-N 0 1 383.427 2.853 20 0 GFADMN COc1ccc(C2(NCc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)cc1 ZINC000737076835 598486919 /nfs/dbraw/zinc/48/69/19/598486919.db2.gz QQNKWNCVQMEPEX-UHFFFAOYSA-N 0 1 383.427 2.810 20 0 GFADMN CC(C)N(C)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000735857282 598600213 /nfs/dbraw/zinc/60/02/13/598600213.db2.gz RTLDDDBLEVQQHS-UHFFFAOYSA-N 0 1 398.442 2.864 20 0 GFADMN Cc1[nH]ncc1C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000737201200 598601048 /nfs/dbraw/zinc/60/10/48/598601048.db2.gz DSFKKIIIUZBYMP-UHFFFAOYSA-N 0 1 393.382 2.869 20 0 GFADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccco1 ZINC000736533421 598627548 /nfs/dbraw/zinc/62/75/48/598627548.db2.gz GNARTOLAKRYMJK-OAHLLOKOSA-N 0 1 387.419 2.803 20 0 GFADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736265403 598666053 /nfs/dbraw/zinc/66/60/53/598666053.db2.gz JHUWLDSYZCSKPI-HNNXBMFYSA-N 0 1 388.541 2.587 20 0 GFADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737942388 598698046 /nfs/dbraw/zinc/69/80/46/598698046.db2.gz ZKYDDSLGVYMUFJ-UHFFFAOYSA-N 0 1 399.867 2.805 20 0 GFADMN C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135842 598712520 /nfs/dbraw/zinc/71/25/20/598712520.db2.gz YTRDGDMGTDZTKG-LRDDRELGSA-N 0 1 382.855 2.976 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736400948 598714957 /nfs/dbraw/zinc/71/49/57/598714957.db2.gz FMGGNJKEBFEKFK-HNNXBMFYSA-N 0 1 385.516 2.567 20 0 GFADMN Cc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737356979 598721274 /nfs/dbraw/zinc/72/12/74/598721274.db2.gz LPJLVYGGCRJSKF-UHFFFAOYSA-N 0 1 394.822 2.782 20 0 GFADMN C[C@@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736105421 598742437 /nfs/dbraw/zinc/74/24/37/598742437.db2.gz OMQLGJFWSJAAPY-SNVBAGLBSA-N 0 1 397.826 2.653 20 0 GFADMN O[C@H](CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1F ZINC000738379749 598766022 /nfs/dbraw/zinc/76/60/22/598766022.db2.gz CGTZBYUDZZMFLG-LJQANCHMSA-N 0 1 383.427 2.583 20 0 GFADMN COc1ccc(F)cc1CN1CCN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737100296 599308124 /nfs/dbraw/zinc/30/81/24/599308124.db2.gz WAILNSPVGYQWNY-OAHLLOKOSA-N 0 1 396.470 2.893 20 0 GFADMN COc1ccccc1CN1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737149382 599315415 /nfs/dbraw/zinc/31/54/15/599315415.db2.gz HVSFGCHQNNCTQP-INIZCTEOSA-N 0 1 378.480 2.754 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2ccccc2)C(C)C)cc1-c1nn[nH]n1 ZINC000821970200 599430855 /nfs/dbraw/zinc/43/08/55/599430855.db2.gz LCRVTMPERXUCPS-CQSZACIVSA-N 0 1 384.465 2.816 20 0 GFADMN COc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)cc1-c1nn[nH]n1 ZINC000821719917 599439273 /nfs/dbraw/zinc/43/92/73/599439273.db2.gz JLCCXJCOUNGXLR-NSHDSACASA-N 0 1 387.415 2.882 20 0 GFADMN CCN(C(=O)c1c[nH]c2ccccc2c1=O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821155378 599456325 /nfs/dbraw/zinc/45/63/25/599456325.db2.gz YRFSKRBRRSATNN-CYBMUJFWSA-N 0 1 388.431 2.932 20 0 GFADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccs1 ZINC000735521194 599560893 /nfs/dbraw/zinc/56/08/93/599560893.db2.gz TVXQCWSHIGZHES-HNNXBMFYSA-N 0 1 396.520 2.766 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](n3ccnc3)C1)CCCC2 ZINC000739282621 599712626 /nfs/dbraw/zinc/71/26/26/599712626.db2.gz DPVQVMCGGMYYKP-ZDUSSCGKSA-N 0 1 388.493 2.797 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](n3ccnc3)C1)CCCC2 ZINC000739282621 599712627 /nfs/dbraw/zinc/71/26/27/599712627.db2.gz DPVQVMCGGMYYKP-ZDUSSCGKSA-N 0 1 388.493 2.797 20 0 GFADMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2)C[C@H](C)O1 ZINC000736812095 599720781 /nfs/dbraw/zinc/72/07/81/599720781.db2.gz SVLBYHDAFYIIOW-KBPBESRZSA-N 0 1 384.432 2.952 20 0 GFADMN Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000738767742 599752646 /nfs/dbraw/zinc/75/26/46/599752646.db2.gz HDIKIRLLRZVQLP-CTNGQTDRSA-N 0 1 378.472 2.822 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000739622973 599815354 /nfs/dbraw/zinc/81/53/54/599815354.db2.gz YOUUZHZFINXZBU-ICSRJNTNSA-N 0 1 382.435 2.653 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cc2)C1 ZINC000736794067 599865748 /nfs/dbraw/zinc/86/57/48/599865748.db2.gz MQZQBDGSSQWVAW-VQIMIIECSA-N 0 1 388.512 2.860 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000738459370 599867249 /nfs/dbraw/zinc/86/72/49/599867249.db2.gz GQTMRNDGTNOVTP-HXUWFJFHSA-N 0 1 386.423 2.908 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000740165797 599960446 /nfs/dbraw/zinc/96/04/46/599960446.db2.gz RORSVFDXGWRZSO-UHFFFAOYSA-N 0 1 397.475 2.681 20 0 GFADMN Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738849446 599969061 /nfs/dbraw/zinc/96/90/61/599969061.db2.gz CPEPMTDVXATLTH-PBHICJAKSA-N 0 1 399.495 2.641 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000739217966 599976766 /nfs/dbraw/zinc/97/67/66/599976766.db2.gz CTHBPYPWRUOTKC-UHFFFAOYSA-N 0 1 384.480 2.853 20 0 GFADMN C[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@@H+]1CCc2sccc2C1 ZINC000736596129 600016789 /nfs/dbraw/zinc/01/67/89/600016789.db2.gz SBXNTEZDBGPPJZ-CYBMUJFWSA-N 0 1 385.489 2.918 20 0 GFADMN C[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[N@H+]1CCc2sccc2C1 ZINC000736596129 600016792 /nfs/dbraw/zinc/01/67/92/600016792.db2.gz SBXNTEZDBGPPJZ-CYBMUJFWSA-N 0 1 385.489 2.918 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000739622394 600050383 /nfs/dbraw/zinc/05/03/83/600050383.db2.gz JRHIHOTYRJPUKF-FQEVSTJZSA-N 0 1 382.435 2.828 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000739622394 600050385 /nfs/dbraw/zinc/05/03/85/600050385.db2.gz JRHIHOTYRJPUKF-FQEVSTJZSA-N 0 1 382.435 2.828 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)CC2)cs1 ZINC000738855564 600070177 /nfs/dbraw/zinc/07/01/77/600070177.db2.gz UMHSGNSVIPQYIC-UHFFFAOYSA-N 0 1 385.489 2.904 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@@H+](C2CC2)C2CCCC2)c(C(=O)[O-])c1C ZINC000737718119 600084272 /nfs/dbraw/zinc/08/42/72/600084272.db2.gz HJFDSCLXDGPMTQ-UHFFFAOYSA-N 0 1 380.466 2.887 20 0 GFADMN O=C([O-])[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308261 600098170 /nfs/dbraw/zinc/09/81/70/600098170.db2.gz YDJMRGCZMWXYSY-RDJZCZTQSA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000263308261 600098174 /nfs/dbraw/zinc/09/81/74/600098174.db2.gz YDJMRGCZMWXYSY-RDJZCZTQSA-N 0 1 379.888 2.811 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000737284955 600119503 /nfs/dbraw/zinc/11/95/03/600119503.db2.gz MRSZJIUFXDHIGR-OAHLLOKOSA-N 0 1 380.448 2.962 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000567279982 600145101 /nfs/dbraw/zinc/14/51/01/600145101.db2.gz JAQAEQOGBBBCJP-AZUAARDMSA-N 0 1 385.460 2.977 20 0 GFADMN CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000567279982 600145104 /nfs/dbraw/zinc/14/51/04/600145104.db2.gz JAQAEQOGBBBCJP-AZUAARDMSA-N 0 1 385.460 2.977 20 0 GFADMN C[C@@H]1CCC[C@H]([N@@H+](CCC(=O)NCC(=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000736774729 600160639 /nfs/dbraw/zinc/16/06/39/600160639.db2.gz HJECLHPQVZZWIT-INMHGKMJSA-N 0 1 390.480 2.633 20 0 GFADMN CCOCC[N@H+]1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@@H]1CC ZINC000584783125 600213951 /nfs/dbraw/zinc/21/39/51/600213951.db2.gz OREKPEBNCDFJAC-AWEZNQCLSA-N 0 1 392.525 2.943 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2F)CC1 ZINC000737115042 600219654 /nfs/dbraw/zinc/21/96/54/600219654.db2.gz GVZRDNJTEIISKA-KRWDZBQOSA-N 0 1 397.450 2.796 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000737861771 600232424 /nfs/dbraw/zinc/23/24/24/600232424.db2.gz FLCRBPRCUAAHHV-CVEARBPZSA-N 0 1 375.421 2.953 20 0 GFADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736944848 600275156 /nfs/dbraw/zinc/27/51/56/600275156.db2.gz UUIXNEFJLXCDKV-MRXNPFEDSA-N 0 1 385.468 2.518 20 0 GFADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736944848 600275158 /nfs/dbraw/zinc/27/51/58/600275158.db2.gz UUIXNEFJLXCDKV-MRXNPFEDSA-N 0 1 385.468 2.518 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC000737285416 600293253 /nfs/dbraw/zinc/29/32/53/600293253.db2.gz SAVZEVSHIWMGNU-HNNXBMFYSA-N 0 1 386.452 2.699 20 0 GFADMN O=C([O-])C[N@@H+](CC/C=C\c1ccc(Br)cc1)CCN1CCOCC1 ZINC000739785551 600319207 /nfs/dbraw/zinc/31/92/07/600319207.db2.gz OYCKDMNWHUUTTI-IWQZZHSRSA-N 0 1 397.313 2.571 20 0 GFADMN Cc1csc2nc(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)cc(=O)n12 ZINC000738820512 600328709 /nfs/dbraw/zinc/32/87/09/600328709.db2.gz GLIFZSYNINJVQW-UHFFFAOYSA-N 0 1 393.415 2.820 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737439404 600401752 /nfs/dbraw/zinc/40/17/52/600401752.db2.gz NTSBXLHXFUQNSN-SFHVURJKSA-N 0 1 377.462 2.617 20 0 GFADMN C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000578199583 600402222 /nfs/dbraw/zinc/40/22/22/600402222.db2.gz OFRLRBLRBWJKKY-GOSISDBHSA-N 0 1 377.462 2.617 20 0 GFADMN CCn1ccnc1CN1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000737302884 600406761 /nfs/dbraw/zinc/40/67/61/600406761.db2.gz KZCFSNRGTVLVFX-SFHVURJKSA-N 0 1 376.888 2.890 20 0 GFADMN C[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000736641996 600510853 /nfs/dbraw/zinc/51/08/53/600510853.db2.gz WGOWTKITWRYPCH-OXQOHEQNSA-N 0 1 384.476 2.973 20 0 GFADMN CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736950206 600510979 /nfs/dbraw/zinc/51/09/79/600510979.db2.gz OFWNAIWYTIAPDE-ZBFHGGJFSA-N 0 1 380.510 2.540 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736715353 600514955 /nfs/dbraw/zinc/51/49/55/600514955.db2.gz QXJHJFGOXHKYKD-DOTOQJQBSA-N 0 1 388.464 2.908 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000736639951 600515281 /nfs/dbraw/zinc/51/52/81/600515281.db2.gz HTTBUBWUOXDPAR-JXFKEZNVSA-N 0 1 388.508 2.698 20 0 GFADMN O=C([O-])c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000739437192 600532722 /nfs/dbraw/zinc/53/27/22/600532722.db2.gz BGYURHXHSMJJHY-ALOPSCKCSA-N 0 1 383.448 2.973 20 0 GFADMN O=C([O-])COc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000738611810 600542044 /nfs/dbraw/zinc/54/20/44/600542044.db2.gz BQWVKAVBVOHCCL-GOSISDBHSA-N 0 1 383.448 2.936 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+]3CCC[C@@H]3CC(C)C)n2C)c(C)c1CCC(=O)[O-] ZINC000738871916 600553234 /nfs/dbraw/zinc/55/32/34/600553234.db2.gz KZOBYYWZOOMGJX-MRXNPFEDSA-N 0 1 388.512 2.837 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCC[C@H](CCO)C3)c2C(=O)[O-])C1 ZINC000736803512 600555387 /nfs/dbraw/zinc/55/53/87/600555387.db2.gz WUPHZRWVEAPZOP-QWHCGFSZSA-N 0 1 380.510 2.604 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@H](CCO)C3)c2C(=O)[O-])C1 ZINC000736803512 600555389 /nfs/dbraw/zinc/55/53/89/600555389.db2.gz WUPHZRWVEAPZOP-QWHCGFSZSA-N 0 1 380.510 2.604 20 0 GFADMN Cc1cccc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C(=O)[O-] ZINC000738744690 600638939 /nfs/dbraw/zinc/63/89/39/600638939.db2.gz MWJHTCMQGLIODI-UHFFFAOYSA-N 0 1 380.510 2.578 20 0 GFADMN C[NH+](C)[C@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737360324 600648150 /nfs/dbraw/zinc/64/81/50/600648150.db2.gz IBJUYUOOXBXPAH-SFHVURJKSA-N 0 1 376.840 2.723 20 0 GFADMN COC(=O)c1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1C(=O)[O-] ZINC000831301373 600657322 /nfs/dbraw/zinc/65/73/22/600657322.db2.gz WDBPDYATLMAGLN-CQSZACIVSA-N 0 1 391.468 2.948 20 0 GFADMN CN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737318174 600671673 /nfs/dbraw/zinc/67/16/73/600671673.db2.gz PSGWNVJFSSVTMQ-PZJWPPBQSA-N 0 1 382.460 2.562 20 0 GFADMN CN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737318174 600671675 /nfs/dbraw/zinc/67/16/75/600671675.db2.gz PSGWNVJFSSVTMQ-PZJWPPBQSA-N 0 1 382.460 2.562 20 0 GFADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000738671480 600686548 /nfs/dbraw/zinc/68/65/48/600686548.db2.gz YLWKKNUNIWJYNX-HOCLYGCPSA-N 0 1 392.502 2.751 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809549 600715212 /nfs/dbraw/zinc/71/52/12/600715212.db2.gz LXLRUNMGGICXHY-CJNGLKHVSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736809549 600715215 /nfs/dbraw/zinc/71/52/15/600715215.db2.gz LXLRUNMGGICXHY-CJNGLKHVSA-N 0 1 391.468 2.558 20 0 GFADMN COc1ccc(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832323106 600718267 /nfs/dbraw/zinc/71/82/67/600718267.db2.gz FAXBZSYTXBTVGU-SFHVURJKSA-N 0 1 397.475 2.809 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1C(=O)[O-] ZINC000832902042 600721465 /nfs/dbraw/zinc/72/14/65/600721465.db2.gz VRYBBXHWLXJZEJ-OWCLPIDISA-N 0 1 380.510 2.719 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000830852599 600750956 /nfs/dbraw/zinc/75/09/56/600750956.db2.gz QRBJNJQJNHCQSR-IBGZPJMESA-N 0 1 397.475 2.566 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2)CC1 ZINC000830955015 600762026 /nfs/dbraw/zinc/76/20/26/600762026.db2.gz WVBHJYXGKZKEJL-IBGZPJMESA-N 0 1 393.487 2.653 20 0 GFADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582463 600770503 /nfs/dbraw/zinc/77/05/03/600770503.db2.gz IAXFMCLZNPUQGL-GHTZIAJQSA-N 0 1 396.487 2.637 20 0 GFADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582463 600770504 /nfs/dbraw/zinc/77/05/04/600770504.db2.gz IAXFMCLZNPUQGL-GHTZIAJQSA-N 0 1 396.487 2.637 20 0 GFADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C(=O)[O-] ZINC000248849348 600782750 /nfs/dbraw/zinc/78/27/50/600782750.db2.gz AJFXGPBFQNWBRW-SJORKVTESA-N 0 1 394.537 2.968 20 0 GFADMN Cc1ccccc1C[NH+]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000832980241 600793403 /nfs/dbraw/zinc/79/34/03/600793403.db2.gz ZYHKBFXWUDDSIT-GOSISDBHSA-N 0 1 399.516 2.678 20 0 GFADMN CCCCNC(=O)C1(NCc2cc(-c3nn[nH]n3)ccc2OC)CCCCC1 ZINC000825285199 607469279 /nfs/dbraw/zinc/46/92/79/607469279.db2.gz MLWWTIITMSXHSK-UHFFFAOYSA-N 0 1 386.500 2.584 20 0 GFADMN COc1ccccc1OCC[N@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832633226 600819847 /nfs/dbraw/zinc/81/98/47/600819847.db2.gz RSJHPCNEIJGHQQ-AWEZNQCLSA-N 0 1 390.461 2.571 20 0 GFADMN COc1ccccc1OCC[N@@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832633226 600819850 /nfs/dbraw/zinc/81/98/50/600819850.db2.gz RSJHPCNEIJGHQQ-AWEZNQCLSA-N 0 1 390.461 2.571 20 0 GFADMN CCn1nc2c(cc1=O)C[N@H+](Cc1c(C(=O)[O-])sc3cccc(F)c31)CC2 ZINC000830444923 600826676 /nfs/dbraw/zinc/82/66/76/600826676.db2.gz CIOHIIUFOKARND-UHFFFAOYSA-N 0 1 387.436 2.874 20 0 GFADMN O=C([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000833320997 600828114 /nfs/dbraw/zinc/82/81/14/600828114.db2.gz DGWSJGOINMXWCK-CQSZACIVSA-N 0 1 390.871 2.834 20 0 GFADMN Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000577185001 600832898 /nfs/dbraw/zinc/83/28/98/600832898.db2.gz YBJXOBXTYFMDAY-CDXJDZJCSA-N 0 1 385.460 2.895 20 0 GFADMN Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000577185001 600832900 /nfs/dbraw/zinc/83/29/00/600832900.db2.gz YBJXOBXTYFMDAY-CDXJDZJCSA-N 0 1 385.460 2.895 20 0 GFADMN Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)oc1C ZINC000833001168 600839290 /nfs/dbraw/zinc/83/92/90/600839290.db2.gz QDUMVGZOWNNEOE-IRXDYDNUSA-N 0 1 377.485 2.511 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)cc(C(=O)[O-])c1 ZINC000831258277 600851250 /nfs/dbraw/zinc/85/12/50/600851250.db2.gz SKXDKCPGPZOORX-BLLLJJGKSA-N 0 1 394.493 2.572 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)cc(C(=O)[O-])c1 ZINC000831258277 600851252 /nfs/dbraw/zinc/85/12/52/600851252.db2.gz SKXDKCPGPZOORX-BLLLJJGKSA-N 0 1 394.493 2.572 20 0 GFADMN CN(C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000564967431 600870851 /nfs/dbraw/zinc/87/08/51/600870851.db2.gz OTJTXDGDPJHERV-IBGZPJMESA-N 0 1 395.459 2.803 20 0 GFADMN CN(C(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000564209648 600870910 /nfs/dbraw/zinc/87/09/10/600870910.db2.gz BCOBNDLLUMSQMO-IBGZPJMESA-N 0 1 395.459 2.803 20 0 GFADMN CC(C)NC(=O)Nc1ccc(CNCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000820136809 607474419 /nfs/dbraw/zinc/47/44/19/607474419.db2.gz CEJAJHGEPQAHKT-UHFFFAOYSA-N 0 1 383.431 2.826 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000830327843 601000114 /nfs/dbraw/zinc/00/01/14/601000114.db2.gz ISUMBQHEVHBJQA-KRWDZBQOSA-N 0 1 394.878 2.719 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C[C@H]3CCCO3)C3CCCC3)nc(=O)c12 ZINC000832853511 601019411 /nfs/dbraw/zinc/01/94/11/601019411.db2.gz ZCLAXMFKLHYWOK-CYBMUJFWSA-N 0 1 391.493 2.915 20 0 GFADMN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)nc(=O)c12 ZINC000832853511 601019412 /nfs/dbraw/zinc/01/94/12/601019412.db2.gz ZCLAXMFKLHYWOK-CYBMUJFWSA-N 0 1 391.493 2.915 20 0 GFADMN C/C(=C\C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C(=O)[O-] ZINC000825734088 601051336 /nfs/dbraw/zinc/05/13/36/601051336.db2.gz HNEVXXWBFJREIP-IGEMTJHASA-N 0 1 382.258 2.526 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1OC ZINC000831903433 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HAFOXBGHBFTYGL-QWHCGFSZSA-N 0 1 380.510 2.868 20 0 GFADMN CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000829989534 601379736 /nfs/dbraw/zinc/37/97/36/601379736.db2.gz HAFOXBGHBFTYGL-QWHCGFSZSA-N 0 1 380.510 2.868 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1)CC(F)(F)F ZINC000829688183 601380653 /nfs/dbraw/zinc/38/06/53/601380653.db2.gz WYKAPXKHMGQGGW-CYBMUJFWSA-N 0 1 387.402 2.529 20 0 GFADMN Cc1ccc(C(=O)NC2CC[NH+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)s1 ZINC000832911765 601399327 /nfs/dbraw/zinc/39/93/27/601399327.db2.gz WMDFYTNUXDULCF-UHFFFAOYSA-N 0 1 398.488 2.956 20 0 GFADMN O=C([O-])c1nn(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000833132169 601399360 /nfs/dbraw/zinc/39/93/60/601399360.db2.gz WAMYPLZWBDMJPR-UHFFFAOYSA-N 0 1 399.495 2.788 20 0 GFADMN COc1ccccc1C[NH+]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000832614001 601399440 /nfs/dbraw/zinc/39/94/40/601399440.db2.gz UVECWVZFCPFKRV-UHFFFAOYSA-N 0 1 380.448 2.518 20 0 GFADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000828494096 601415529 /nfs/dbraw/zinc/41/55/29/601415529.db2.gz NHVFRDZJZKDKQV-MRXNPFEDSA-N 0 1 377.448 2.676 20 0 GFADMN CC[C@H](C)C[N@H+](CC)Cn1c(=O)c2c(nc(C)c(CCC(=O)[O-])c2C)n1C ZINC000828746513 601433372 /nfs/dbraw/zinc/43/33/72/601433372.db2.gz DYZIDBDBZSNSEH-ZDUSSCGKSA-N 0 1 376.501 2.695 20 0 GFADMN CC[C@H](C)C[N@@H+](CC)Cn1c(=O)c2c(nc(C)c(CCC(=O)[O-])c2C)n1C ZINC000828746513 601433373 /nfs/dbraw/zinc/43/33/73/601433373.db2.gz DYZIDBDBZSNSEH-ZDUSSCGKSA-N 0 1 376.501 2.695 20 0 GFADMN Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c2ccccc2)cc1 ZINC000832924372 601450309 /nfs/dbraw/zinc/45/03/09/601450309.db2.gz IZYOCIZSUOWBSF-SJBKTWHCSA-N 0 1 387.451 2.961 20 0 GFADMN Cc1ccc(N2CCC(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])CC2)[nH+]c1 ZINC000663148161 601477769 /nfs/dbraw/zinc/47/77/69/601477769.db2.gz QBYDCHNKAQMLHU-HXUWFJFHSA-N 0 1 379.460 2.817 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828438150 601506504 /nfs/dbraw/zinc/50/65/04/601506504.db2.gz DAAQLVCLCLKSCF-LRDDRELGSA-N 0 1 376.840 2.869 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828442281 601532948 /nfs/dbraw/zinc/53/29/48/601532948.db2.gz ZSGVSDWQDYRSOH-GOEBONIOSA-N 0 1 384.480 2.761 20 0 GFADMN COCc1cccc(CNC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000831817566 601540119 /nfs/dbraw/zinc/54/01/19/601540119.db2.gz QHUWINJWXJNGLE-UXHICEINSA-N 0 1 388.508 2.805 20 0 GFADMN COCc1cccc(CNC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000831817566 601540120 /nfs/dbraw/zinc/54/01/20/601540120.db2.gz QHUWINJWXJNGLE-UXHICEINSA-N 0 1 388.508 2.805 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000828433288 601540839 /nfs/dbraw/zinc/54/08/39/601540839.db2.gz TVYMHZLPHMBGGI-HBGVWJBISA-N 0 1 378.472 2.813 20 0 GFADMN O=C([O-])[C@]1(NC(=O)CCc2ccccc2O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833102655 601740670 /nfs/dbraw/zinc/74/06/70/601740670.db2.gz OTLUSIGAIQKEJF-QFIPXVFZSA-N 0 1 382.460 2.560 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128824 601741591 /nfs/dbraw/zinc/74/15/91/601741591.db2.gz NUMRHMJAKHIMLU-AYIOACQTSA-N 0 1 398.503 2.617 20 0 GFADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000826881196 601767176 /nfs/dbraw/zinc/76/71/76/601767176.db2.gz IKRTWMOVZITHFK-HNNXBMFYSA-N 0 1 398.507 2.912 20 0 GFADMN CC[N@@H+]1C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)[C@@H](C)C1 ZINC000829746469 601824060 /nfs/dbraw/zinc/82/40/60/601824060.db2.gz YEIAXOBMIMODTC-CQDKDKBSSA-N 0 1 398.301 2.604 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000830327840 601824638 /nfs/dbraw/zinc/82/46/38/601824638.db2.gz IRERFMODKRMNEK-UHFFFAOYSA-N 0 1 382.917 2.713 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccsc1 ZINC000830585095 601834919 /nfs/dbraw/zinc/83/49/19/601834919.db2.gz OQMUPYZXECDVHT-AWEZNQCLSA-N 0 1 388.898 2.681 20 0 GFADMN CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830781073 601837461 /nfs/dbraw/zinc/83/74/61/601837461.db2.gz GLJJTSVBXTVZOB-UHFFFAOYSA-N 0 1 388.917 2.923 20 0 GFADMN C[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000828128109 601883359 /nfs/dbraw/zinc/88/33/59/601883359.db2.gz PLOQCPXPJUMVOP-JOCHJYFZSA-N 0 1 393.443 2.775 20 0 GFADMN C[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000828128109 601883360 /nfs/dbraw/zinc/88/33/60/601883360.db2.gz PLOQCPXPJUMVOP-JOCHJYFZSA-N 0 1 393.443 2.775 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000833221375 601890323 /nfs/dbraw/zinc/89/03/23/601890323.db2.gz KDZQDMDBCLUSMD-ZDUSSCGKSA-N 0 1 387.299 2.670 20 0 GFADMN O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000740439338 601896172 /nfs/dbraw/zinc/89/61/72/601896172.db2.gz LAXVXUAZROGYCH-BMFZPTHFSA-N 0 1 377.510 2.534 20 0 GFADMN O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000740439338 601896173 /nfs/dbraw/zinc/89/61/73/601896173.db2.gz LAXVXUAZROGYCH-BMFZPTHFSA-N 0 1 377.510 2.534 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739101297 601898100 /nfs/dbraw/zinc/89/81/00/601898100.db2.gz BKFHBTDLUGWCRK-MSOLQXFVSA-N 0 1 387.524 2.935 20 0 GFADMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825972466 601926534 /nfs/dbraw/zinc/92/65/34/601926534.db2.gz SRVWXHBKNPEQGR-NEPJUHHUSA-N 0 1 388.892 2.718 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833220914 601927845 /nfs/dbraw/zinc/92/78/45/601927845.db2.gz CULWKRBCDJRBMO-QWRGUYRKSA-N 0 1 380.293 2.625 20 0 GFADMN Cc1cc(C(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000832857864 601934703 /nfs/dbraw/zinc/93/47/03/601934703.db2.gz BYMWDWOYGPNXCY-JOCHJYFZSA-N 0 1 398.459 2.861 20 0 GFADMN O=C([O-])N1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740416039 602018179 /nfs/dbraw/zinc/01/81/79/602018179.db2.gz ZTJCNZCLKLALGR-JKSUJKDBSA-N 0 1 394.541 2.649 20 0 GFADMN C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738977998 602067546 /nfs/dbraw/zinc/06/75/46/602067546.db2.gz XVWWVLBRCOLLFA-FUHWJXTLSA-N 0 1 376.501 2.586 20 0 GFADMN C[C@H](CC(=O)[O-])C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000827304387 602077160 /nfs/dbraw/zinc/07/71/60/602077160.db2.gz SOEITELUMCIKBO-QGZVFWFLSA-N 0 1 381.476 2.536 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1Cl ZINC000833153928 602104696 /nfs/dbraw/zinc/10/46/96/602104696.db2.gz SBHSBXGRNUNYFC-HZPDHXFCSA-N 0 1 381.860 2.803 20 0 GFADMN CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000826118568 602105869 /nfs/dbraw/zinc/10/58/69/602105869.db2.gz NOIJSQBZRWDHJC-MSOLQXFVSA-N 0 1 389.496 2.814 20 0 GFADMN CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000739234831 602145727 /nfs/dbraw/zinc/14/57/27/602145727.db2.gz LRENMCCOBLRASZ-WBMJQRKESA-N 0 1 382.892 2.713 20 0 GFADMN Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000740172214 602182288 /nfs/dbraw/zinc/18/22/88/602182288.db2.gz XUZDEOBYWZPGOA-MJGOQNOKSA-N 0 1 388.512 2.601 20 0 GFADMN CC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828957743 602263867 /nfs/dbraw/zinc/26/38/67/602263867.db2.gz AHDULTFFPMTIES-QZTJIDSGSA-N 0 1 399.491 2.739 20 0 GFADMN CC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828957743 602263868 /nfs/dbraw/zinc/26/38/68/602263868.db2.gz AHDULTFFPMTIES-QZTJIDSGSA-N 0 1 399.491 2.739 20 0 GFADMN O=C([O-])N1CCC([N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C2CC2)CC1 ZINC000740507819 602293406 /nfs/dbraw/zinc/29/34/06/602293406.db2.gz QDCVTTZDTOPXAR-UHFFFAOYSA-N 0 1 386.408 2.572 20 0 GFADMN Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000383258474 602327743 /nfs/dbraw/zinc/32/77/43/602327743.db2.gz CKIHXGLEILJLFZ-QGZVFWFLSA-N 0 1 388.489 2.588 20 0 GFADMN CC(C)C[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)C(=O)[O-] ZINC000826787794 602349233 /nfs/dbraw/zinc/34/92/33/602349233.db2.gz URHQJJMZUVHGMR-IKGGRYGDSA-N 0 1 380.485 2.563 20 0 GFADMN Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CN(C)C(=O)[O-])CC3)C2=O)cc1Cl ZINC000740130738 602391192 /nfs/dbraw/zinc/39/11/92/602391192.db2.gz PPPZNGYMHKWNIT-MRXNPFEDSA-N 0 1 393.871 2.602 20 0 GFADMN Cc1ccc(SCCNC(=O)C[NH+]2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000740152867 602448077 /nfs/dbraw/zinc/44/80/77/602448077.db2.gz OLQIGNODNJLHPC-HNNXBMFYSA-N 0 1 379.526 2.571 20 0 GFADMN C[N@@H+](CCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000737441526 602476741 /nfs/dbraw/zinc/47/67/41/602476741.db2.gz QASSDGSTYZGSFO-UHFFFAOYSA-N 0 1 396.491 2.666 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740050427 602540751 /nfs/dbraw/zinc/54/07/51/602540751.db2.gz ZHHPNQZMXLRCHE-GFCCVEGCSA-N 0 1 384.274 2.628 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740050427 602540752 /nfs/dbraw/zinc/54/07/52/602540752.db2.gz ZHHPNQZMXLRCHE-GFCCVEGCSA-N 0 1 384.274 2.628 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1)C(=O)[O-] ZINC000739658741 602541937 /nfs/dbraw/zinc/54/19/37/602541937.db2.gz BFEIEEJTYBXNBR-WCQYABFASA-N 0 1 377.268 2.665 20 0 GFADMN CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@H]1CCN(C(=O)[O-])C1 ZINC000739361910 602547626 /nfs/dbraw/zinc/54/76/26/602547626.db2.gz IBEKHSMLZHXLHY-NSHDSACASA-N 0 1 376.482 2.850 20 0 GFADMN CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@H]1CCN(C(=O)[O-])C1 ZINC000739361910 602547627 /nfs/dbraw/zinc/54/76/27/602547627.db2.gz IBEKHSMLZHXLHY-NSHDSACASA-N 0 1 376.482 2.850 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccccc1Cl ZINC000739608174 602563340 /nfs/dbraw/zinc/56/33/40/602563340.db2.gz MTBFOERCRQJAOC-MSOLQXFVSA-N 0 1 389.883 2.938 20 0 GFADMN C[C@H](C(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738613413 602589543 /nfs/dbraw/zinc/58/95/43/602589543.db2.gz JULXQMPSXGDRHA-NSISKUIASA-N 0 1 385.508 2.814 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738834691 602614192 /nfs/dbraw/zinc/61/41/92/602614192.db2.gz LWIDSUICXNRKBM-MRXNPFEDSA-N 0 1 376.501 2.668 20 0 GFADMN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000739105263 602615136 /nfs/dbraw/zinc/61/51/36/602615136.db2.gz OQNPEMBCHKMRLK-HZPDHXFCSA-N 0 1 376.501 2.859 20 0 GFADMN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000739102900 602615154 /nfs/dbraw/zinc/61/51/54/602615154.db2.gz GTKXQIIXFIPZBE-JKSUJKDBSA-N 0 1 376.501 2.716 20 0 GFADMN CC[N@H+]1CCC[C@H]1CNC(=S)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739453594 602624536 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C[C@@H](CCNC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000833817390 605528368 /nfs/dbraw/zinc/52/83/68/605528368.db2.gz OCEPHOHWRCFTBJ-XYJFISCASA-N 0 1 376.501 2.585 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(NC(=O)[O-])c(C)c3)C2)nc(C)[nH+]1 ZINC000830079839 605684150 /nfs/dbraw/zinc/68/41/50/605684150.db2.gz WUQKXRRDLZOFPP-INIZCTEOSA-N 0 1 383.452 2.891 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000825017386 605686273 /nfs/dbraw/zinc/68/62/73/605686273.db2.gz ZZHSEVFPKKALPR-LLVKDONJSA-N 0 1 388.295 2.773 20 0 GFADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833606600 605701091 /nfs/dbraw/zinc/70/10/91/605701091.db2.gz RWQHYYCWZKVRFV-WQVCFCJDSA-N 0 1 384.398 2.687 20 0 GFADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833606600 605701096 /nfs/dbraw/zinc/70/10/96/605701096.db2.gz RWQHYYCWZKVRFV-WQVCFCJDSA-N 0 1 384.398 2.687 20 0 GFADMN NC(=O)[C@@H]([NH2+]C[C@H](NC(=O)[O-])c1ccccc1)c1cccc(Br)c1 ZINC000833979771 605798706 /nfs/dbraw/zinc/79/87/06/605798706.db2.gz KAYQIDKQJGIGQG-GJZGRUSLSA-N 0 1 392.253 2.574 20 0 GFADMN CCN(CC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000827010065 605811920 /nfs/dbraw/zinc/81/19/20/605811920.db2.gz ZLKLWBFOXGECMA-KRWDZBQOSA-N 0 1 385.468 2.577 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CN3C[C@@H](c4cccc(F)c4)CC3=O)C2)CC1 ZINC000834091356 605862567 /nfs/dbraw/zinc/86/25/67/605862567.db2.gz ADRUFTFRAZLKTM-INIZCTEOSA-N 0 1 375.444 2.565 20 0 GFADMN CC[C@H]1CN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000833850987 605876810 /nfs/dbraw/zinc/87/68/10/605876810.db2.gz ZSUAZORZGYOPEN-DOTOQJQBSA-N 0 1 389.500 2.568 20 0 GFADMN Cn1ccnc1COc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)[O-])CC3)cc1 ZINC000833955249 605899379 /nfs/dbraw/zinc/89/93/79/605899379.db2.gz GRKCKQAFXFAGGE-UHFFFAOYSA-N 0 1 384.480 2.965 20 0 GFADMN O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000834060225 605902630 /nfs/dbraw/zinc/90/26/30/605902630.db2.gz XGDSOSIXZPQDEM-MRXNPFEDSA-N 0 1 389.521 2.954 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000833829199 605903532 /nfs/dbraw/zinc/90/35/32/605903532.db2.gz FXKRCEARXILUKN-VXGBXAGGSA-N 0 1 384.274 2.756 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](CNC(=O)[O-])C[C@H]2C)cc1F ZINC000833918518 605917756 /nfs/dbraw/zinc/91/77/56/605917756.db2.gz OIUMISSVCDRMHN-DOMZBBRYSA-N 0 1 389.431 2.507 20 0 GFADMN O=C([O-])N1CCC([C@H]([NH2+]C[C@H](O)CN2CCCCC2)c2ccc(F)cc2)CC1 ZINC000834075958 605982875 /nfs/dbraw/zinc/98/28/75/605982875.db2.gz VRWWCALSLFUFEU-VQTJNVASSA-N 0 1 393.503 2.693 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933253 606419688 /nfs/dbraw/zinc/41/96/88/606419688.db2.gz LDHWZIKHEBSZSD-LBPRGKRZSA-N 0 1 378.502 2.807 20 0 GFADMN CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933253 606419689 /nfs/dbraw/zinc/41/96/89/606419689.db2.gz LDHWZIKHEBSZSD-LBPRGKRZSA-N 0 1 378.502 2.807 20 0 GFADMN Cc1ccc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000822226168 606521657 /nfs/dbraw/zinc/52/16/57/606521657.db2.gz FZISNDQBIWINJY-UHFFFAOYSA-N 0 1 394.454 2.662 20 0 GFADMN Cc1ccccc1CN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000822356180 606524678 /nfs/dbraw/zinc/52/46/78/606524678.db2.gz LQRKQQCKDKXQFE-UHFFFAOYSA-N 0 1 382.493 2.585 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000822542045 606524763 /nfs/dbraw/zinc/52/47/63/606524763.db2.gz TWEKGGJTFXVAIE-AWEZNQCLSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000822542045 606524765 /nfs/dbraw/zinc/52/47/65/606524765.db2.gz TWEKGGJTFXVAIE-AWEZNQCLSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000822542045 606524767 /nfs/dbraw/zinc/52/47/67/606524767.db2.gz TWEKGGJTFXVAIE-AWEZNQCLSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000822542045 606524770 /nfs/dbraw/zinc/52/47/70/606524770.db2.gz TWEKGGJTFXVAIE-AWEZNQCLSA-N 0 1 397.483 2.553 20 0 GFADMN Cc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cs2)N2CCCC2)cc1 ZINC000822230242 606538914 /nfs/dbraw/zinc/53/89/14/606538914.db2.gz ACYVOVFVBXAIAE-INIZCTEOSA-N 0 1 382.493 2.804 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(-c2nn[nH]n2)s1 ZINC000823379605 606578581 /nfs/dbraw/zinc/57/85/81/606578581.db2.gz AJRSLLDQBDQRHX-UHFFFAOYSA-N 0 1 390.226 2.819 20 0 GFADMN C[C@@]1(c2ccccc2)CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635997 606717759 /nfs/dbraw/zinc/71/77/59/606717759.db2.gz OJPNGPLDOFEAFX-SIKLNZKXSA-N 0 1 388.475 2.636 20 0 GFADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1cccc(OCc2ccccc2)c1 ZINC000823690637 606743141 /nfs/dbraw/zinc/74/31/41/606743141.db2.gz QJAROUMNVXPLJF-IBGZPJMESA-N 0 1 391.431 2.862 20 0 GFADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000778659744 606786130 /nfs/dbraw/zinc/78/61/30/606786130.db2.gz GQHVSZITBFAZAY-UHFFFAOYSA-N 0 1 377.813 2.524 20 0 GFADMN CCO[C@@H]1C[C@@H](N(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C12CCC2 ZINC000821359294 606853807 /nfs/dbraw/zinc/85/38/07/606853807.db2.gz NJTVHUGIKUUZER-RTBURBONSA-N 0 1 393.495 2.967 20 0 GFADMN CN(Cc1csc(Br)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821616663 606857228 /nfs/dbraw/zinc/85/72/28/606857228.db2.gz BBXNYIZGWQSLIH-ZDUSSCGKSA-N 0 1 394.298 2.856 20 0 GFADMN O[C@@H](CN1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680939 606919964 /nfs/dbraw/zinc/91/99/64/606919964.db2.gz BKBRHDIEWWUHDS-SFTDATJTSA-N 0 1 386.459 2.807 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596680 606970447 /nfs/dbraw/zinc/97/04/47/606970447.db2.gz RHCORZUGEQKVOH-AWEZNQCLSA-N 0 1 390.463 2.695 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C(=O)OC(C)(C)C ZINC000821596680 606970449 /nfs/dbraw/zinc/97/04/49/606970449.db2.gz RHCORZUGEQKVOH-AWEZNQCLSA-N 0 1 390.463 2.695 20 0 GFADMN CCC[C@H](C)[C@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821016721 607146874 /nfs/dbraw/zinc/14/68/74/607146874.db2.gz YWLXVQVADCJNJB-WMLDXEAASA-N 0 1 377.514 2.541 20 0 GFADMN Cc1c(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cccc1C(F)(F)F ZINC000822129551 607155453 /nfs/dbraw/zinc/15/54/53/607155453.db2.gz LBMCDVAQOIFJMK-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822130603 607212689 /nfs/dbraw/zinc/21/26/89/607212689.db2.gz XDIIQRHBEKPXDO-UHFFFAOYSA-N 0 1 394.826 2.726 20 0 GFADMN Fc1ccc2c(c1)[C@H](N1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCC2 ZINC000826375978 607794915 /nfs/dbraw/zinc/79/49/15/607794915.db2.gz JPICTNOZYSCDKK-GOSISDBHSA-N 0 1 379.443 2.600 20 0 GFADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)Nc1ccccc1-c1nnc[nH]1 ZINC000826420660 607813668 /nfs/dbraw/zinc/81/36/68/607813668.db2.gz WACUBTTURJPHLF-UHFFFAOYSA-N 0 1 392.448 2.524 20 0 GFADMN CC(C)N(CCc1nccs1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000824293418 607831262 /nfs/dbraw/zinc/83/12/62/607831262.db2.gz LBFISIVXVSOXLJ-UHFFFAOYSA-N 0 1 396.480 2.826 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCCc1cccc2ccccc21 ZINC000825934621 608036935 /nfs/dbraw/zinc/03/69/35/608036935.db2.gz OUVXABKQTMTYFL-UHFFFAOYSA-N 0 1 390.495 2.822 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCCc1cccc2ccccc21 ZINC000825934621 608036936 /nfs/dbraw/zinc/03/69/36/608036936.db2.gz OUVXABKQTMTYFL-UHFFFAOYSA-N 0 1 390.495 2.822 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCCc1cccc2ccccc21 ZINC000825934621 608036937 /nfs/dbraw/zinc/03/69/37/608036937.db2.gz OUVXABKQTMTYFL-UHFFFAOYSA-N 0 1 390.495 2.822 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCCc1cccc2ccccc21 ZINC000825934621 608036938 /nfs/dbraw/zinc/03/69/38/608036938.db2.gz OUVXABKQTMTYFL-UHFFFAOYSA-N 0 1 390.495 2.822 20 0 GFADMN CCN(CCc1ccccn1)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825428593 608164684 /nfs/dbraw/zinc/16/46/84/608164684.db2.gz QVBZWTFOSGCTAK-CYBMUJFWSA-N 0 1 399.886 2.807 20 0 GFADMN CN(C)C1CN(C(=O)c2ccccc2SCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825855946 608209588 /nfs/dbraw/zinc/20/95/88/608209588.db2.gz MEXNBYHYTISFEF-UHFFFAOYSA-N 0 1 394.504 2.545 20 0 GFADMN CCCCc1nc2ccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cn3)cc2[nH]1 ZINC000825296359 608225698 /nfs/dbraw/zinc/22/56/98/608225698.db2.gz GABLNNJMUDPKPD-UHFFFAOYSA-N 0 1 391.439 2.531 20 0 GFADMN C[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(N2CCCC2=O)cc1 ZINC000824605479 608282552 /nfs/dbraw/zinc/28/25/52/608282552.db2.gz HZOFPCDZWJQOOW-ZDUSSCGKSA-N 0 1 380.427 2.983 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H]1C ZINC000825443771 608303612 /nfs/dbraw/zinc/30/36/12/608303612.db2.gz FXRDRFHHFORCRH-GHMZBOCLSA-N 0 1 397.405 2.832 20 0 GFADMN COc1ccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826188378 608431700 /nfs/dbraw/zinc/43/17/00/608431700.db2.gz VMIIDSVKXXQEMX-NSHDSACASA-N 0 1 386.843 2.818 20 0 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655227518 /nfs/dbraw/zinc/22/75/18/655227518.db2.gz LYFNDBVVZFPVQQ-UHFFFAOYSA-N 0 1 380.886 2.937 20 0 GFADMN O=S(=O)(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]c2ncccc12 ZINC000114735445 655227781 /nfs/dbraw/zinc/22/77/81/655227781.db2.gz OLSVXURVQXQVCW-AWEZNQCLSA-N 0 1 376.507 2.740 20 0 GFADMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)ccn1 ZINC000116601237 655250345 /nfs/dbraw/zinc/25/03/45/655250345.db2.gz MOXRLVIQMKGFNQ-UHFFFAOYSA-N 0 1 396.266 2.838 20 0 GFADMN COc1ccc2c(c1)[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)CCS2 ZINC000276112943 655263009 /nfs/dbraw/zinc/26/30/09/655263009.db2.gz IDOXYBWKAYATIZ-WFASDCNBSA-N 0 1 399.559 2.718 20 0 GFADMN CCCCCN(CCO)CC(=O)Nc1ccccc1I ZINC000118825699 655282836 /nfs/dbraw/zinc/28/28/36/655282836.db2.gz UURAHEWGJBMMLM-UHFFFAOYSA-N 0 1 390.265 2.714 20 0 GFADMN O=C(CN1CCCN(Cc2ccc(Br)c(F)c2)CC1)N1CCCC1 ZINC000177682236 655285774 /nfs/dbraw/zinc/28/57/74/655285774.db2.gz YNKAKIJLACZIBV-UHFFFAOYSA-N 0 1 398.320 2.718 20 0 GFADMN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000119010470 655286691 /nfs/dbraw/zinc/28/66/91/655286691.db2.gz CYCQUQLGLKQIAZ-MNOVXSKESA-N 0 1 394.273 2.553 20 0 GFADMN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000119010470 655286693 /nfs/dbraw/zinc/28/66/93/655286693.db2.gz CYCQUQLGLKQIAZ-MNOVXSKESA-N 0 1 394.273 2.553 20 0 GFADMN COC(=O)CC(C)(C)NCC(=O)Nc1ccc(Br)cc1Cl ZINC000177923049 655291648 /nfs/dbraw/zinc/29/16/48/655291648.db2.gz ZUPPWZHMQJDODK-UHFFFAOYSA-N 0 1 377.666 2.972 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)cc2)n[nH]1 ZINC000276971516 655295656 /nfs/dbraw/zinc/29/56/56/655295656.db2.gz YEOMTBFUNZJJNI-NXEZZACHSA-N 0 1 394.273 2.897 20 0 GFADMN CC(C)(C)n1cc(CNC[C@@H](CO)Cc2ccccc2Br)nn1 ZINC000277085056 655302387 /nfs/dbraw/zinc/30/23/87/655302387.db2.gz UQPXTZPTARVVOL-ZDUSSCGKSA-N 0 1 381.318 2.736 20 0 GFADMN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000119539174 655306339 /nfs/dbraw/zinc/30/63/39/655306339.db2.gz 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/nfs/dbraw/zinc/31/91/48/655319148.db2.gz GCNJJNUVQVHCSX-UHFFFAOYSA-N 0 1 383.491 2.657 20 0 GFADMN COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2ncccc2F)c1 ZINC000180260993 655324881 /nfs/dbraw/zinc/32/48/81/655324881.db2.gz GFAMMVNKDUSGDS-UHFFFAOYSA-N 0 1 389.202 2.571 20 0 GFADMN CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000120085588 655327177 /nfs/dbraw/zinc/32/71/77/655327177.db2.gz CAOHKGHQWUKEJC-UHFFFAOYSA-N 0 1 391.280 2.666 20 0 GFADMN CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000180962955 655331460 /nfs/dbraw/zinc/33/14/60/655331460.db2.gz CGAMYUNVAXMMKA-UHFFFAOYSA-N 0 1 390.658 2.867 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)CSc2n[n-]c(=S)s2)C[N@H+]1Cc1ccccc1 ZINC000120319941 655335057 /nfs/dbraw/zinc/33/50/57/655335057.db2.gz IKSWXZIVIYIJST-OCCSQVGLSA-N 0 1 394.591 2.946 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NCc1ccncc1OCC(F)(F)F ZINC000281594355 655335950 /nfs/dbraw/zinc/33/59/50/655335950.db2.gz MXGNJSRDRHQGQR-UHFFFAOYSA-N 0 1 396.441 2.571 20 0 GFADMN 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/nfs/dbraw/zinc/38/61/11/655386111.db2.gz OEKANNVLNOMHMG-CYBMUJFWSA-N 0 1 387.889 2.806 20 0 GFADMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1cnc(Cl)c(F)c1 ZINC000327798850 655386491 /nfs/dbraw/zinc/38/64/91/655386491.db2.gz FGWLKXALRVPUIH-INIZCTEOSA-N 0 1 383.876 2.990 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(Cl)cc1Cl ZINC000192134577 655402774 /nfs/dbraw/zinc/40/27/74/655402774.db2.gz ORMZXYYYCLJBPR-UHFFFAOYSA-N 0 1 398.161 2.959 20 0 GFADMN FC(F)(F)c1nc(NCCN2C[C@H]3CC[C@@H](C2)O3)sc1Br ZINC000418989113 655406381 /nfs/dbraw/zinc/40/63/81/655406381.db2.gz JLEFZTVBPIYMRA-OCAPTIKFSA-N 0 1 386.237 3.200 20 0 GFADMN CC[C@@]1(C)NC(=O)N(NC(=O)c2oc3ccc(Br)cc3c2C)C1=O ZINC000192728493 655406652 /nfs/dbraw/zinc/40/66/52/655406652.db2.gz FGAGYYSABWOJTP-MRXNPFEDSA-N 0 1 394.225 2.869 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccs1 ZINC000194046023 655413938 /nfs/dbraw/zinc/41/39/38/655413938.db2.gz CIWIALIFPPFMDF-LBPRGKRZSA-N 0 1 388.898 2.681 20 0 GFADMN Cc1nc2ncnn2c(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1C ZINC000530940626 655420583 /nfs/dbraw/zinc/42/05/83/655420583.db2.gz MBBKCVCUVNRMKC-UHFFFAOYSA-N 0 1 399.256 2.901 20 0 GFADMN Cc1nc2ncnn2c(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000530940626 655420584 /nfs/dbraw/zinc/42/05/84/655420584.db2.gz MBBKCVCUVNRMKC-UHFFFAOYSA-N 0 1 399.256 2.901 20 0 GFADMN C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)c1cc[nH]c(=O)c1 ZINC000574192341 655426065 /nfs/dbraw/zinc/42/60/65/655426065.db2.gz CUHQPZRCXIIFCI-NSHDSACASA-N 0 1 385.283 2.674 20 0 GFADMN CCC[N@H+](Cc1cc(Br)ccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000574332206 655429233 /nfs/dbraw/zinc/42/92/33/655429233.db2.gz PPFPUOPHZKZIOF-ZDUSSCGKSA-N 0 1 390.299 2.546 20 0 GFADMN CCC[N@@H+](Cc1cc(Br)ccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000574332206 655429234 /nfs/dbraw/zinc/42/92/34/655429234.db2.gz PPFPUOPHZKZIOF-ZDUSSCGKSA-N 0 1 390.299 2.546 20 0 GFADMN O=C([O-])c1cn(C2CC[NH+](Cc3ccc(F)cc3Br)CC2)nn1 ZINC000574824335 655431432 /nfs/dbraw/zinc/43/14/32/655431432.db2.gz 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O=C(Nc1c[nH]nn1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000935597661 664972551 /nfs/dbraw/zinc/97/25/51/664972551.db2.gz MEFNFXOWYZBAKH-UHFFFAOYSA-N 0 1 383.221 2.684 20 0 GFADMN CN1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1Cl)C2 ZINC000996390098 665031548 /nfs/dbraw/zinc/03/15/48/665031548.db2.gz QMNJWVBRJJEEKB-UQOMUDLDSA-N 0 1 381.929 2.748 20 0 GFADMN Cc1csc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCC2)C3)c1Cl ZINC000996561325 665032684 /nfs/dbraw/zinc/03/26/84/665032684.db2.gz CGUKLBRBOUSWIL-RDBSUJKOSA-N 0 1 381.929 2.667 20 0 GFADMN CCc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cscc2Cl)C3)n[nH]1 ZINC000997470384 665036782 /nfs/dbraw/zinc/03/67/82/665036782.db2.gz PVDQXDJYXVFQBW-DGFSRKRXSA-N 0 1 378.885 2.863 20 0 GFADMN Cc1csc(Cl)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C)[nH]1 ZINC000999032158 665041937 /nfs/dbraw/zinc/04/19/37/665041937.db2.gz HCZOBHYNTIYEGB-MDZLAQPJSA-N 0 1 378.885 2.917 20 0 GFADMN C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccsc1Cl ZINC001000459668 665046640 /nfs/dbraw/zinc/04/66/40/665046640.db2.gz OZCJKCWIZGUOFK-NEBZKDRISA-N 0 1 381.929 2.748 20 0 GFADMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2scc(C)c2Cl)C3)n[nH]1 ZINC001002964547 665058277 /nfs/dbraw/zinc/05/82/77/665058277.db2.gz MSZOPAKAWMJTFC-WZRBSPASSA-N 0 1 378.885 2.917 20 0 GFADMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](CNCc2csc(Cl)n2)C1 ZINC001024070892 665074408 /nfs/dbraw/zinc/07/44/08/665074408.db2.gz XNQAAEGTTWYGSW-BAGFCZJQSA-N 0 1 381.929 2.548 20 0 GFADMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CN(Cc3sccc3Cl)C[C@H]2C1 ZINC001048947033 665077187 /nfs/dbraw/zinc/07/71/87/665077187.db2.gz LHXXSDZONBUFJG-ZKQCLBICSA-N 0 1 378.925 2.715 20 0 GFADMN Cc1nc([C@H](C)NCc2ncc(Br)cc2Br)n[nH]1 ZINC000392372924 677409785 /nfs/dbraw/zinc/40/97/85/677409785.db2.gz MWMGHXFOTIYXPU-LURJTMIESA-N 0 1 375.068 2.884 20 0 GFADMN COc1ccc([C@H](C)NCc2cccc(S(N)(=O)=O)c2)cc1Br ZINC000390324240 677673077 /nfs/dbraw/zinc/67/30/77/677673077.db2.gz QZMSMCREXDBITL-NSHDSACASA-N 0 1 399.310 2.956 20 0 GFADMN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001164632294 719222773 /nfs/dbraw/zinc/22/27/73/719222773.db2.gz AWUDRQKYOSIEGF-ZIAGYGMSSA-N 0 1 378.517 2.886 20 0 GFADMN CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2[C@H](C1)OCCN2C ZINC001164672352 719434495 /nfs/dbraw/zinc/43/44/95/719434495.db2.gz QWPDEOCJBIFSDW-CABCVRRESA-N 0 1 375.856 2.584 20 0 GFADMN CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)C[C@H]21 ZINC001164670737 719464632 /nfs/dbraw/zinc/46/46/32/719464632.db2.gz YDMNOVDDQGOURQ-KGLIPLIRSA-N 0 1 376.913 2.866 20 0 GFADMN COc1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc(OC)n1 ZINC001164691135 719805915 /nfs/dbraw/zinc/80/59/15/719805915.db2.gz DTDLRPQOPGZVEG-UHFFFAOYSA-N 0 1 389.525 2.894 20 0 GFADMN CCCN(CCC)c1cncc(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164728007 720573347 /nfs/dbraw/zinc/57/33/47/720573347.db2.gz HGFXSFOIVFGYFZ-UHFFFAOYSA-N 0 1 397.571 2.958 20 0 GFADMN COC(=O)c1c[nH]c2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)ccc12 ZINC001164857054 720946203 /nfs/dbraw/zinc/94/62/03/720946203.db2.gz GHFFQUQSGWGMNY-AWEZNQCLSA-N 0 1 396.495 2.967 20 0 GFADMN CC(C)N(C)Cc1cnc2n1CCN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)[C@H]2C ZINC001164859306 720967897 /nfs/dbraw/zinc/96/78/97/720967897.db2.gz MMPKBVLDMCNEGG-LBPRGKRZSA-N 0 1 388.903 2.848 20 0 GFADMN COC(=O)c1nc(Cl)cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164857283 721012086 /nfs/dbraw/zinc/01/20/86/721012086.db2.gz CFPGOKNPANTROB-LBPRGKRZSA-N 0 1 392.891 2.535 20 0 GFADMN Cc1cccc2ccc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)nc12 ZINC001164871887 721261081 /nfs/dbraw/zinc/26/10/81/721261081.db2.gz BGKWCVNOMXYKMW-UHFFFAOYSA-N 0 1 396.535 2.550 20 0 GFADMN Cc1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164894107 721394597 /nfs/dbraw/zinc/39/45/97/721394597.db2.gz XSHFMTYOCNXNQA-CVDCTZTESA-N 0 1 395.551 2.704 20 0 GFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(C(C)(C)C)n4)C3)O2)CC1 ZINC001164892602 721404382 /nfs/dbraw/zinc/40/43/82/721404382.db2.gz YYWKJKARRNJKPR-PGRDOPGGSA-N 0 1 387.572 2.540 20 0 GFADMN Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c1Cl ZINC001164885840 721405231 /nfs/dbraw/zinc/40/52/31/721405231.db2.gz HQKJHMZJCNYRHN-FXAWDEMLSA-N 0 1 378.948 2.809 20 0 GFADMN Cc1nc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C ZINC001164883482 721413032 /nfs/dbraw/zinc/41/30/32/721413032.db2.gz ABXMZWQXQUUWNG-YLJYHZDGSA-N 0 1 393.963 2.512 20 0 GFADMN Cc1cc(C(C)C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164891366 721448475 /nfs/dbraw/zinc/44/84/75/721448475.db2.gz UMKBNZFVFIMHPP-SIKLNZKXSA-N 0 1 387.572 2.674 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc[nH]c32)[C@@H]2CCCO[C@@H]12 ZINC001164794397 721524321 /nfs/dbraw/zinc/52/43/21/721524321.db2.gz CVFUCVWBYURYRN-JFIYKMOQSA-N 0 1 398.898 2.875 20 0 GFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)nc3[nH]2)[C@@H]2CCCO[C@H]12 ZINC001164806280 721571582 /nfs/dbraw/zinc/57/15/82/721571582.db2.gz PQKARDQEEGYJCR-NUJGCVRESA-N 0 1 398.898 2.875 20 0 GFADMN COc1ncnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C ZINC001164908503 721701227 /nfs/dbraw/zinc/70/12/27/721701227.db2.gz ZONJTQXJONBSJN-IBGZPJMESA-N 0 1 389.450 2.926 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2cnc3cccc(Cl)c3n2)CC1 ZINC001165008816 721733238 /nfs/dbraw/zinc/73/32/38/721733238.db2.gz RPEQIESQLWEYQR-UHFFFAOYSA-N 0 1 387.915 2.806 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2nnc(Cl)c3ccsc32)CC1 ZINC001165010181 721734110 /nfs/dbraw/zinc/73/41/10/721734110.db2.gz FHDUUOMYSXSKSG-UHFFFAOYSA-N 0 1 393.944 2.868 20 0 GFADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3[nH]c4ccccc4c32)CC1 ZINC001165011150 721739016 /nfs/dbraw/zinc/73/90/16/721739016.db2.gz NLFBLACOBINRNQ-UHFFFAOYSA-N 0 1 392.507 2.634 20 0 GFADMN c1cc(CN2CCOCC3(CCN(c4ncnc5cnccc54)CC3)C2)ccn1 ZINC001164961921 722053366 /nfs/dbraw/zinc/05/33/66/722053366.db2.gz YSBVYELNZNWEFA-UHFFFAOYSA-N 0 1 390.491 2.539 20 0 GFADMN CCN(CC)c1ccnc([C@@H]2COCCN2c2ncccc2CN2CCCC2)n1 ZINC001164998610 722227458 /nfs/dbraw/zinc/22/74/58/722227458.db2.gz CVUUCJZCDPHHMN-IBGZPJMESA-N 0 1 396.539 2.892 20 0 GFADMN CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000186647192 209250104 /nfs/dbraw/zinc/25/01/04/209250104.db2.gz YBYIHXVYPNEJGI-IAGOWNOFSA-N 0 1 376.497 2.976 20 0 GFADMN CN1CC[C@H](CNS(=O)(=O)c2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000359899051 209199940 /nfs/dbraw/zinc/19/99/40/209199940.db2.gz MPEOWCDLPIKVIH-KDOFPFPSSA-N 0 1 379.913 2.894 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 ZINC000328603776 209145225 /nfs/dbraw/zinc/14/52/25/209145225.db2.gz HEKHIMOXQAJYFY-UHFFFAOYSA-N 0 1 382.526 2.544 20 0 GFADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1 ZINC000040692144 551135000 /nfs/dbraw/zinc/13/50/00/551135000.db2.gz AUHIJBQYZSSQHG-UHFFFAOYSA-N 0 1 375.332 2.944 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)N1CCC[C@@H](C)C1 ZINC000045744929 551148041 /nfs/dbraw/zinc/14/80/41/551148041.db2.gz YLTHVEYEWLYKSY-OLZOCXBDSA-N 0 1 380.432 2.984 20 0 GFADMN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047980262 551155180 /nfs/dbraw/zinc/15/51/80/551155180.db2.gz QXLIIKGKJDRUCU-AWEZNQCLSA-N 0 1 383.945 2.598 20 0 GFADMN CC(C)COc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000055636911 551173788 /nfs/dbraw/zinc/17/37/88/551173788.db2.gz DZOVGOADQDKYJN-UHFFFAOYSA-N 0 1 383.491 2.926 20 0 GFADMN CN1CCN(C[C@@H](Nc2ncc(Br)cn2)c2ccccc2)CC1 ZINC000067371736 551188110 /nfs/dbraw/zinc/18/81/10/551188110.db2.gz UQVYZNZPORGPAX-MRXNPFEDSA-N 0 1 376.302 2.640 20 0 GFADMN C[C@H](NC(=O)CN1CCC(C2OCCO2)CC1)c1ccc(Br)cc1 ZINC000110081887 551202087 /nfs/dbraw/zinc/20/20/87/551202087.db2.gz DZOAAYOTVZEVSA-ZDUSSCGKSA-N 0 1 397.313 2.711 20 0 GFADMN C[C@H]1CCCCN1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112629667 551206090 /nfs/dbraw/zinc/20/60/90/551206090.db2.gz AJLZUBNOGIKDBN-LBPRGKRZSA-N 0 1 392.297 2.895 20 0 GFADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(Br)c(C)c3)C2)CC1 ZINC000119150688 551215555 /nfs/dbraw/zinc/21/55/55/551215555.db2.gz YGFDFVAGARXCPD-MRXNPFEDSA-N 0 1 380.330 2.610 20 0 GFADMN O=S(=O)(NCc1cccnc1OCC(F)F)c1c(F)cc(F)cc1F ZINC000121948615 551293205 /nfs/dbraw/zinc/29/32/05/551293205.db2.gz BCQKZHAQCFTULA-UHFFFAOYSA-N 0 1 382.310 2.621 20 0 GFADMN CC(C)N1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)[C@@H](C)C1 ZINC000122242416 551296204 /nfs/dbraw/zinc/29/62/04/551296204.db2.gz IVJJCTRCWUHPLF-FZMZJTMJSA-N 0 1 375.441 2.533 20 0 GFADMN C[C@H](CN(C)C(=O)[C@@H](C)Sc1ccc(Br)cc1)c1nn[nH]n1 ZINC000124194461 551311936 /nfs/dbraw/zinc/31/19/36/551311936.db2.gz FYDBOXUSZWZQCX-NXEZZACHSA-N 0 1 384.303 2.705 20 0 GFADMN CC(C)Oc1cc(Br)cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000124233763 551312433 /nfs/dbraw/zinc/31/24/33/551312433.db2.gz LWYPAFOIPDPBNE-JTQLQIEISA-N 0 1 382.262 2.625 20 0 GFADMN CC(C)Oc1cc(Br)cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1 ZINC000124233763 551312434 /nfs/dbraw/zinc/31/24/34/551312434.db2.gz LWYPAFOIPDPBNE-JTQLQIEISA-N 0 1 382.262 2.625 20 0 GFADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1O ZINC000126008980 551325540 /nfs/dbraw/zinc/32/55/40/551325540.db2.gz USSDLKUYFAXHQW-UHFFFAOYSA-N 0 1 385.239 2.779 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1CCCS1(=O)=O ZINC000126833269 551333438 /nfs/dbraw/zinc/33/34/38/551333438.db2.gz AZMLWGDJRQLYLB-MRXNPFEDSA-N 0 1 398.326 2.610 20 0 GFADMN Cc1cc(NC(=O)CNC(=O)c2[nH]nc3c2CCCC3)ccc1Br ZINC000128285740 551348471 /nfs/dbraw/zinc/34/84/71/551348471.db2.gz NKABPWWEHNHOHK-UHFFFAOYSA-N 0 1 391.269 2.728 20 0 GFADMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000128909781 551353401 /nfs/dbraw/zinc/35/34/01/551353401.db2.gz OIBSHKSUVAJLMK-UHFFFAOYSA-N 0 1 398.282 2.655 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)Cc1cccc(I)c1 ZINC000130791815 551369199 /nfs/dbraw/zinc/36/91/99/551369199.db2.gz VNIVJZIZXLGRLR-UHFFFAOYSA-N 0 1 383.233 2.614 20 0 GFADMN O=C(c1ccc(Br)c(F)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000147894939 551398343 /nfs/dbraw/zinc/39/83/43/551398343.db2.gz GCWDJLQVYAJCBX-AWEZNQCLSA-N 0 1 385.277 2.915 20 0 GFADMN Cc1sc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1CS(C)(=O)=O ZINC000150867253 551403113 /nfs/dbraw/zinc/40/31/13/551403113.db2.gz KYFBFDRROHCAEB-UHFFFAOYSA-N 0 1 381.454 2.547 20 0 GFADMN CC(C)[C@H]1CN(C)CCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000151287471 551410924 /nfs/dbraw/zinc/41/09/24/551410924.db2.gz HYLHQTXSMSILDR-GDBMZVCRSA-N 0 1 381.929 2.942 20 0 GFADMN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000151773178 551420824 /nfs/dbraw/zinc/42/08/24/551420824.db2.gz IDZJJMXZVNDZQT-UHFFFAOYSA-N 0 1 381.361 2.909 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c1Br ZINC000152402081 551432441 /nfs/dbraw/zinc/43/24/41/551432441.db2.gz WAEKWNFZGYCQAJ-UHFFFAOYSA-N 0 1 394.254 2.534 20 0 GFADMN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)c1cccc(Br)c1)CC2 ZINC000152703283 551438697 /nfs/dbraw/zinc/43/86/97/551438697.db2.gz CKBSQJQJUAKXME-GVDBMIGSSA-N 0 1 384.314 2.734 20 0 GFADMN CCc1nc(C(=O)N2C[C@H](C)N[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000153389300 551451597 /nfs/dbraw/zinc/45/15/97/551451597.db2.gz 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COc1c(Br)ccc(C)c1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000424709091 563388399 /nfs/dbraw/zinc/38/83/99/563388399.db2.gz SKDLLVFZHMHBNF-UHFFFAOYSA-N 0 1 397.313 2.703 20 0 GFADMN C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)C(F)(F)F ZINC000424952163 563398659 /nfs/dbraw/zinc/39/86/59/563398659.db2.gz WDCQNXOPTULGFV-RXMQYKEDSA-N 0 1 383.111 2.848 20 0 GFADMN C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c([O-])cnc4c(Br)cccc43)[C@@H]2C1 ZINC000425063805 563402854 /nfs/dbraw/zinc/40/28/54/563402854.db2.gz GPNHEOJHUBXBPX-SMDDNHRTSA-N 0 1 390.281 2.869 20 0 GFADMN C[N@H+]1C[C@@H]2CCCN(C(=O)c3c([O-])cnc4c(Br)cccc43)[C@@H]2C1 ZINC000425063805 563402856 /nfs/dbraw/zinc/40/28/56/563402856.db2.gz GPNHEOJHUBXBPX-SMDDNHRTSA-N 0 1 390.281 2.869 20 0 GFADMN CC(C)(C)N1CCc2nc(NC(=O)C3CN(CC(F)(F)F)C3)sc2C1 ZINC000425044337 563402992 /nfs/dbraw/zinc/40/29/92/563402992.db2.gz ROIKIKWYWUCQQK-UHFFFAOYSA-N 0 1 376.448 2.732 20 0 GFADMN C[C@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc(F)cc1Br ZINC000375514055 563408176 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[NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000333262557 563626128 /nfs/dbraw/zinc/62/61/28/563626128.db2.gz JBQLYOGHIVNFKY-GDBMZVCRSA-N 0 1 383.286 2.513 20 0 GFADMN CSc1ccc(OC[C@H](O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000411634890 563627022 /nfs/dbraw/zinc/62/70/22/563627022.db2.gz MGYIHTQOZWOADF-ZENOOKHLSA-N 0 1 379.444 2.783 20 0 GFADMN Cc1c(Cl)cc(NC(=O)C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1Cl ZINC000411637729 563627136 /nfs/dbraw/zinc/62/71/36/563627136.db2.gz GMUXOSYLEHGLBY-UHFFFAOYSA-N 0 1 384.267 2.972 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCO[C@@H](C2CC2)C1 ZINC000333304511 563627332 /nfs/dbraw/zinc/62/73/32/563627332.db2.gz IAWNFRKQCWJAIH-OAHLLOKOSA-N 0 1 377.238 2.542 20 0 GFADMN COC(=O)c1cc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cs1 ZINC000411716622 563631023 /nfs/dbraw/zinc/63/10/23/563631023.db2.gz FRPSBVUGVKNAMV-LLVKDONJSA-N 0 1 378.416 2.815 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(I)c(F)cc1F ZINC000435009776 563641421 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Cc1cc(C(C)(C)C(=O)N(C)C[C@H](C)c2nn[nH]n2)ccc1Br ZINC000291693149 563754333 /nfs/dbraw/zinc/75/43/33/563754333.db2.gz OECRWRMBNVMKNE-NSHDSACASA-N 0 1 380.290 2.810 20 0 GFADMN CSc1ccccc1[C@H](C)NCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000441356264 563758274 /nfs/dbraw/zinc/75/82/74/563758274.db2.gz QCYVOFSRNKQIBN-KSSFIOAISA-N 0 1 379.551 2.990 20 0 GFADMN O=S(=O)(NCCNCc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000441334059 563758334 /nfs/dbraw/zinc/75/83/34/563758334.db2.gz WAJIKSBTAPGYKG-UHFFFAOYSA-N 0 1 378.803 2.825 20 0 GFADMN CN(C(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000364794863 563763901 /nfs/dbraw/zinc/76/39/01/563763901.db2.gz NHWMRBPIYJQWTO-LSDHHAIUSA-N 0 1 384.307 2.985 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2I)CCN1 ZINC000415279926 563765500 /nfs/dbraw/zinc/76/55/00/563765500.db2.gz FJGJWXVBHYNXTC-QMMMGPOBSA-N 0 1 379.629 2.770 20 0 GFADMN COC(=O)c1cc(Br)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000415321606 563766669 /nfs/dbraw/zinc/76/66/69/563766669.db2.gz 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Cc1cc(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1Br ZINC000366706174 563817749 /nfs/dbraw/zinc/81/77/49/563817749.db2.gz BHGJUFFZJZFNFN-ZDUSSCGKSA-N 0 1 378.274 2.609 20 0 GFADMN Cc1cc(CCC(=O)N2CCC[C@H](c3nn[nH]n3)C2)ccc1Br ZINC000366706174 563817753 /nfs/dbraw/zinc/81/77/53/563817753.db2.gz BHGJUFFZJZFNFN-ZDUSSCGKSA-N 0 1 378.274 2.609 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000416390603 563822007 /nfs/dbraw/zinc/82/20/07/563822007.db2.gz OSJBFFLXYRPGOP-LBPRGKRZSA-N 0 1 376.906 2.510 20 0 GFADMN CC[N@@H+](CC[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(C)C ZINC000444164960 563823511 /nfs/dbraw/zinc/82/35/11/563823511.db2.gz FCPMDEMITHQMSM-UHFFFAOYSA-N 0 1 397.875 2.585 20 0 GFADMN CC[N@H+](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(C)C ZINC000444174904 563823550 /nfs/dbraw/zinc/82/35/50/563823550.db2.gz IBOUPAIHRKHCDD-UHFFFAOYSA-N 0 1 385.274 2.736 20 0 GFADMN CC[N@@H+](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F)C(C)C ZINC000444174904 563823551 /nfs/dbraw/zinc/82/35/51/563823551.db2.gz 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CSc1cc(NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1Cl ZINC000417070329 563867184 /nfs/dbraw/zinc/86/71/84/563867184.db2.gz HEJOQAFQACBWOQ-HNNXBMFYSA-N 0 1 385.961 2.947 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000417304474 563877652 /nfs/dbraw/zinc/87/76/52/563877652.db2.gz UKBIMZMDAKJNML-ZDUSSCGKSA-N 0 1 398.301 2.504 20 0 GFADMN CN(C(=O)c1cncc(Br)c1)C1CCN(Cc2ccncc2)CC1 ZINC000368817802 563879429 /nfs/dbraw/zinc/87/94/29/563879429.db2.gz MVBFDYAMEYYLNH-UHFFFAOYSA-N 0 1 389.297 2.976 20 0 GFADMN CN(C(=O)c1ccc(Br)cn1)C1CCN(Cc2ccncc2)CC1 ZINC000368926040 563882197 /nfs/dbraw/zinc/88/21/97/563882197.db2.gz MLIGZFYVMZGKKW-UHFFFAOYSA-N 0 1 389.297 2.976 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000368950334 563883070 /nfs/dbraw/zinc/88/30/70/563883070.db2.gz MGNVGVQSBLPSSC-LLVKDONJSA-N 0 1 375.694 2.631 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)cc1OC ZINC000447780854 563885944 /nfs/dbraw/zinc/88/59/44/563885944.db2.gz AGPZZDVNCLEJRB-HSZRJFAPSA-N 0 1 389.882 2.895 20 0 GFADMN O=C(c1cc(F)c(Br)cc1Cl)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000369145151 563887949 /nfs/dbraw/zinc/88/79/49/563887949.db2.gz QFYAPKLAWHLKNE-SSDOTTSWSA-N 0 1 388.628 2.775 20 0 GFADMN C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000369224289 563889979 /nfs/dbraw/zinc/88/99/79/563889979.db2.gz JKZBTRSBZRWYJH-SNVBAGLBSA-N 0 1 380.407 2.880 20 0 GFADMN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(F)cc1I ZINC000418040328 563896340 /nfs/dbraw/zinc/89/63/40/563896340.db2.gz IUQBEOVWDBMJRI-TZMCWYRMSA-N 0 1 395.256 2.678 20 0 GFADMN Cc1ccc(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(Br)c1 ZINC000448602113 563898744 /nfs/dbraw/zinc/89/87/44/563898744.db2.gz ANMWUJYKQSCTTM-MRXNPFEDSA-N 0 1 383.330 2.773 20 0 GFADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNCCN1CCC1 ZINC000449184074 563907684 /nfs/dbraw/zinc/90/76/84/563907684.db2.gz FIZMPLFAWYKOAB-UHFFFAOYSA-N 0 1 383.279 2.761 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000537939014 564178293 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C[C@H]1CN(CCO)CCN1Cc1ccc(OC(F)F)c(Br)c1 ZINC000449789206 564201965 /nfs/dbraw/zinc/20/19/65/564201965.db2.gz ZEVCTFMPPFIYOZ-NSHDSACASA-N 0 1 379.245 2.549 20 0 GFADMN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCN(C2CCCC2)CC1 ZINC000471698032 564202451 /nfs/dbraw/zinc/20/24/51/564202451.db2.gz NVFDICIYCRKLIB-KRWDZBQOSA-N 0 1 379.298 2.839 20 0 GFADMN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCN(C2CCCC2)CC1 ZINC000471698033 564202477 /nfs/dbraw/zinc/20/24/77/564202477.db2.gz NVFDICIYCRKLIB-QGZVFWFLSA-N 0 1 379.298 2.839 20 0 GFADMN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(Br)c1O ZINC000538874137 564203885 /nfs/dbraw/zinc/20/38/85/564203885.db2.gz SLIUQIQAKMCYNJ-GFCCVEGCSA-N 0 1 389.249 2.969 20 0 GFADMN COCCc1nc(C)c([C@H](C)NCc2cccc(NS(C)(=O)=O)c2)s1 ZINC000539074804 564208884 /nfs/dbraw/zinc/20/88/84/564208884.db2.gz DZMLUCSEBAZULV-LBPRGKRZSA-N 0 1 383.539 2.863 20 0 GFADMN NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000506727412 564210833 /nfs/dbraw/zinc/21/08/33/564210833.db2.gz BNVLWSKIIFDHFM-UHFFFAOYSA-N 0 1 382.722 2.796 20 0 GFADMN Cc1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1Cl ZINC000539420246 564219424 /nfs/dbraw/zinc/21/94/24/564219424.db2.gz QUUCFUSWYUUVTK-UHFFFAOYSA-N 0 1 390.933 2.542 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000472338636 564221072 /nfs/dbraw/zinc/22/10/72/564221072.db2.gz ASJNRWGQCPZSSN-GXTWGEPZSA-N 0 1 387.343 2.969 20 0 GFADMN COc1ccc(Br)cc1[C@@H]1CCCN1CCC(=O)N1CCOCC1 ZINC000507202007 564221832 /nfs/dbraw/zinc/22/18/32/564221832.db2.gz GXHCQCQMQQYCJD-INIZCTEOSA-N 0 1 397.313 2.844 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(Cl)c1 ZINC000564366001 564230732 /nfs/dbraw/zinc/23/07/32/564230732.db2.gz AWRUZYAYUJBTSM-UHFFFAOYSA-N 0 1 375.233 2.902 20 0 GFADMN COCCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000507586592 564233539 /nfs/dbraw/zinc/23/35/39/564233539.db2.gz UHKYUJBGMUXXOH-UHFFFAOYSA-N 0 1 382.869 2.825 20 0 GFADMN C[C@H]1CN(C(=O)c2ccccc2-n2cc(Br)cn2)[C@@H](C)CN1C ZINC000450541624 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CCC[C@H](C)NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000507906036 564247212 /nfs/dbraw/zinc/24/72/12/564247212.db2.gz ZZDYGQYYGMFTPV-ZDUSSCGKSA-N 0 1 386.495 2.688 20 0 GFADMN COCCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000507963097 564248943 /nfs/dbraw/zinc/24/89/43/564248943.db2.gz QBETYHLAJNRQDA-UHFFFAOYSA-N 0 1 395.352 2.867 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000564950248 564259037 /nfs/dbraw/zinc/25/90/37/564259037.db2.gz ARKWHIDPZWKNJO-CYBMUJFWSA-N 0 1 379.917 2.834 20 0 GFADMN CC(C)C[C@H](N)c1noc(CN(C)S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000564959572 564260388 /nfs/dbraw/zinc/26/03/88/564260388.db2.gz MQTCNWIVNVCIGW-VIFPVBQESA-N 0 1 378.907 2.651 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000473975728 564260816 /nfs/dbraw/zinc/26/08/16/564260816.db2.gz GCKGJGOJGQHNPM-ZFWWWQNUSA-N 0 1 399.333 2.561 20 0 GFADMN CS(=O)(=O)c1nnc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s1 ZINC000451017680 564263737 /nfs/dbraw/zinc/26/37/37/564263737.db2.gz 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C[C@@H]1CN(Cc2ccc(Br)cc2C(F)(F)F)CCN1CCO ZINC000474936698 564294788 /nfs/dbraw/zinc/29/47/88/564294788.db2.gz YYRUXVYVHUESFV-LLVKDONJSA-N 0 1 381.236 2.966 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000565911446 564301772 /nfs/dbraw/zinc/30/17/72/564301772.db2.gz IQLHGAWVFWGTPT-CQSZACIVSA-N 0 1 383.945 2.806 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000451378083 564306593 /nfs/dbraw/zinc/30/65/93/564306593.db2.gz ZESNAWLIUTWSLH-SECBINFHSA-N 0 1 377.268 2.810 20 0 GFADMN CCCN(C)[C@H](CNS(=O)(=O)c1cnn(CC)c1)c1ccc(Cl)cc1 ZINC000509637590 564307260 /nfs/dbraw/zinc/30/72/60/564307260.db2.gz VOPHFTUQMSFUBA-QGZVFWFLSA-N 0 1 384.933 2.918 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000451453667 564314869 /nfs/dbraw/zinc/31/48/69/564314869.db2.gz OGWSBSYNWQYUQE-QAPCUYQASA-N 0 1 381.567 2.913 20 0 GFADMN C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000475747903 564317987 /nfs/dbraw/zinc/31/79/87/564317987.db2.gz 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O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(Br)c1[O-] ZINC000531928969 564925086 /nfs/dbraw/zinc/92/50/86/564925086.db2.gz MXLJJNSFMAUWJW-HUUCEWRRSA-N 0 1 383.286 2.528 20 0 GFADMN O=C(NC/C=C\c1ccc(Br)cc1)NCc1n[nH]c(C2CC2)n1 ZINC000584217149 564926018 /nfs/dbraw/zinc/92/60/18/564926018.db2.gz ALLGCXWOQOHSRY-UPHRSURJSA-N 0 1 376.258 2.957 20 0 GFADMN O=C(Cc1csc(-c2cccs2)n1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000559252252 564927831 /nfs/dbraw/zinc/92/78/31/564927831.db2.gz WRFJMIHHMCJRJU-UHFFFAOYSA-N 0 1 376.463 2.909 20 0 GFADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000465495365 564928935 /nfs/dbraw/zinc/92/89/35/564928935.db2.gz QJMKRZREQXEKFV-UHFFFAOYSA-N 0 1 390.347 2.729 20 0 GFADMN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000559394644 564932360 /nfs/dbraw/zinc/93/23/60/564932360.db2.gz YYEIMDDHRRDLMG-QLFBSQMISA-N 0 1 383.583 2.648 20 0 GFADMN Cn1cccc1CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000465981415 564934418 /nfs/dbraw/zinc/93/44/18/564934418.db2.gz 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PLSCBOLJPNAFPJ-UHFFFAOYSA-N 0 1 378.321 2.898 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)NC[C@H](C)Oc2ccccc2Br)n[nH]1 ZINC000534994600 565001115 /nfs/dbraw/zinc/00/11/15/565001115.db2.gz KHHGOYZXRIAILP-WDEREUQCSA-N 0 1 396.289 2.957 20 0 GFADMN NC(=O)CCC1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000502541695 565001328 /nfs/dbraw/zinc/00/13/28/565001328.db2.gz UEMDXTSFQOAUTA-UHFFFAOYSA-N 0 1 386.323 2.630 20 0 GFADMN CSCC[C@H](NCc1cnc2c(C)cc(Br)cn12)C(=O)N(C)C ZINC000561756538 565007898 /nfs/dbraw/zinc/00/78/98/565007898.db2.gz GSMHXKKPGVFTIR-AWEZNQCLSA-N 0 1 399.358 2.705 20 0 GFADMN C[C@@H](CNC(=O)CCCCc1cn[nH]n1)Oc1cccc(Br)c1 ZINC000469263526 565011453 /nfs/dbraw/zinc/01/14/53/565011453.db2.gz XVNXKPUTQLZUCP-LBPRGKRZSA-N 0 1 381.274 2.864 20 0 GFADMN O=C(NCCNC(=O)c1cc(Br)cc2nc[nH]c21)c1cccs1 ZINC000503137327 565012418 /nfs/dbraw/zinc/01/24/18/565012418.db2.gz KODKHUCWLOUJMP-UHFFFAOYSA-N 0 1 393.266 2.547 20 0 GFADMN O=S(=O)(CCOc1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000561991593 565014770 /nfs/dbraw/zinc/01/47/70/565014770.db2.gz YVHBLFLGVBRDRZ-KRWDZBQOSA-N 0 1 380.535 2.883 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cccc(Br)c2O)CCN1CC(F)F ZINC000535745675 565019591 /nfs/dbraw/zinc/01/95/91/565019591.db2.gz IBWRLDZFSBHSLA-SNVBAGLBSA-N 0 1 377.229 2.956 20 0 GFADMN CN(C)C(=O)CCN1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000562200664 565020397 /nfs/dbraw/zinc/02/03/97/565020397.db2.gz TZLNDTXAHUUAED-UHFFFAOYSA-N 0 1 387.355 2.655 20 0 GFADMN Cc1c(Br)cccc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000562230955 565020931 /nfs/dbraw/zinc/02/09/31/565020931.db2.gz HMOAIGFHDSYYCK-UHFFFAOYSA-N 0 1 397.250 2.889 20 0 GFADMN CC[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752555 565026325 /nfs/dbraw/zinc/02/63/25/565026325.db2.gz NVNWQHBNAFKCAO-QWRGUYRKSA-N 0 1 376.284 2.927 20 0 GFADMN CC[C@H](CN(C)[C@H](C)C(=O)NC(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469752553 565026413 /nfs/dbraw/zinc/02/64/13/565026413.db2.gz NVNWQHBNAFKCAO-GHMZBOCLSA-N 0 1 376.284 2.927 20 0 GFADMN O=C(c1cccc2c[nH]nc21)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000503839810 565028572 /nfs/dbraw/zinc/02/85/72/565028572.db2.gz KZSQOKFGEMSDTO-MRXNPFEDSA-N 0 1 399.248 2.639 20 0 GFADMN O=C(c1[nH]nc2ccccc21)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000503829446 565028921 /nfs/dbraw/zinc/02/89/21/565028921.db2.gz NRUFBQLHEWSJSK-MRXNPFEDSA-N 0 1 399.248 2.639 20 0 GFADMN C[C@@]1(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)CCO[C@@H]1C1CC1 ZINC000562546419 565033166 /nfs/dbraw/zinc/03/31/66/565033166.db2.gz ZIAGMXNTOLLJTG-CABCVRRESA-N 0 1 379.400 2.895 20 0 GFADMN CN(CCCNC(=O)C1CCC1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000469987060 565033925 /nfs/dbraw/zinc/03/39/25/565033925.db2.gz JPMJGJCQCSUSHH-UHFFFAOYSA-N 0 1 393.285 2.704 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000470077859 565037304 /nfs/dbraw/zinc/03/73/04/565037304.db2.gz BGLVUQWJCPWMFL-HNNXBMFYSA-N 0 1 395.341 2.786 20 0 GFADMN COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@H]1C ZINC000470088136 565037863 /nfs/dbraw/zinc/03/78/63/565037863.db2.gz QZPMISKQRXRZBP-GXFFZTMASA-N 0 1 392.253 2.863 20 0 GFADMN CCN1CCN(CC(=O)Nc2cc(Br)ccc2NC(C)C)CC1 ZINC000470084446 565038270 /nfs/dbraw/zinc/03/82/70/565038270.db2.gz VPAHRGSJLVTENL-UHFFFAOYSA-N 0 1 383.334 2.845 20 0 GFADMN Cc1nc([C@H]2CCN(CC(=O)Nc3ccc(C)cc3Br)C2)n[nH]1 ZINC000562704999 565039272 /nfs/dbraw/zinc/03/92/72/565039272.db2.gz YSINWMWUOLHBDK-LBPRGKRZSA-N 0 1 378.274 2.612 20 0 GFADMN Cc1nnc([C@H]2CCN(CC(=O)Nc3ccc(C)cc3Br)C2)[nH]1 ZINC000562704999 565039276 /nfs/dbraw/zinc/03/92/76/565039276.db2.gz YSINWMWUOLHBDK-LBPRGKRZSA-N 0 1 378.274 2.612 20 0 GFADMN Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)nn1 ZINC000562724217 565039595 /nfs/dbraw/zinc/03/95/95/565039595.db2.gz XZPLYPCQOSSJTK-UHFFFAOYSA-N 0 1 390.285 2.552 20 0 GFADMN CCc1nc(CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)n[nH]1 ZINC000562745855 565041243 /nfs/dbraw/zinc/04/12/43/565041243.db2.gz NCTLSQXQDLSGPH-DYVFJYSZSA-N 0 1 375.270 2.650 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CCN1 ZINC000562750421 565041457 /nfs/dbraw/zinc/04/14/57/565041457.db2.gz QGNJYBLAVWWCMS-NSHDSACASA-N 0 1 392.257 2.857 20 0 GFADMN O=C(CCCC(=O)c1ccc(Br)cc1)NCCCc1nc[nH]n1 ZINC000562852427 565045277 /nfs/dbraw/zinc/04/52/77/565045277.db2.gz HKEKWXOSEQVSGL-UHFFFAOYSA-N 0 1 379.258 2.669 20 0 GFADMN C[C@](NC(=O)c1cccc(Br)c1O)(C(N)=O)c1cccc(Cl)c1 ZINC000536725569 565045912 /nfs/dbraw/zinc/04/59/12/565045912.db2.gz KTDVGZYHPPVACJ-MRXNPFEDSA-N 0 1 397.656 2.939 20 0 GFADMN NC1(c2noc(CCOc3ccccc3I)n2)CCC1 ZINC000563120692 565056437 /nfs/dbraw/zinc/05/64/37/565056437.db2.gz DPQRFBCYDITASG-UHFFFAOYSA-N 0 1 385.205 2.634 20 0 GFADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1Br ZINC000684658168 565077444 /nfs/dbraw/zinc/07/74/44/565077444.db2.gz WBSZSDYPJMJSMQ-GFCCVEGCSA-N 0 1 393.734 2.865 20 0 GFADMN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)CCCc1nn[nH]n1 ZINC000635956741 565083216 /nfs/dbraw/zinc/08/32/16/565083216.db2.gz YVHBPNPOWFLJOO-OAHLLOKOSA-N 0 1 378.274 2.725 20 0 GFADMN COc1ccc(Br)c(CN(C)C(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000613990590 565089164 /nfs/dbraw/zinc/08/91/64/565089164.db2.gz VASVRJOYSLVHEE-LLVKDONJSA-N 0 1 378.270 2.944 20 0 GFADMN COCCN1CCC[C@H](NC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000684966183 565091785 /nfs/dbraw/zinc/09/17/85/565091785.db2.gz DOQAZKVOWLZJKT-AWEZNQCLSA-N 0 1 383.330 2.954 20 0 GFADMN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCCO1 ZINC000684995384 565092954 /nfs/dbraw/zinc/09/29/54/565092954.db2.gz MMKVHELGJUIQCP-GFCCVEGCSA-N 0 1 379.254 2.932 20 0 GFADMN CN(C)C[C@H](NC(=O)C(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000636440656 565111640 /nfs/dbraw/zinc/11/16/40/565111640.db2.gz AIQUWKRGJKPQPB-HNNXBMFYSA-N 0 1 384.263 2.622 20 0 GFADMN COc1ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1Br ZINC000614440809 565113770 /nfs/dbraw/zinc/11/37/70/565113770.db2.gz QSZGWUIAYJHGNS-HNNXBMFYSA-N 0 1 397.313 2.785 20 0 GFADMN CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2Cl)no1 ZINC000685610206 565115611 /nfs/dbraw/zinc/11/56/11/565115611.db2.gz SARVFCNUOVSKQH-VIFPVBQESA-N 0 1 377.825 2.827 20 0 GFADMN Cc1cc(C(C)(C)C(=O)NC[C@@H]2CN3CCN2CCC3)ccc1Br ZINC000614506068 565116494 /nfs/dbraw/zinc/11/64/94/565116494.db2.gz VEKBIIOHLZGPGZ-MRXNPFEDSA-N 0 1 394.357 2.541 20 0 GFADMN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCc2[nH]cnc2C1 ZINC000614493860 565116716 /nfs/dbraw/zinc/11/67/16/565116716.db2.gz DHTWGIIIOCEXOI-XLKFXECMSA-N 0 1 380.217 2.666 20 0 GFADMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc(Br)cc2ccccc21 ZINC000614506827 565116766 /nfs/dbraw/zinc/11/67/66/565116766.db2.gz JERPYZZCEFORGK-MRXNPFEDSA-N 0 1 388.309 2.722 20 0 GFADMN O=C(NC[C@@H]1CN2CCN1CCC2)c1sc2ccccc2c1Br ZINC000614505532 565117020 /nfs/dbraw/zinc/11/70/20/565117020.db2.gz QDTLKMRINAWPJC-GFCCVEGCSA-N 0 1 394.338 2.784 20 0 GFADMN Cc1noc(CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000636698325 565120584 /nfs/dbraw/zinc/12/05/84/565120584.db2.gz UKADYWUJYHSZCH-CQSZACIVSA-N 0 1 386.283 2.829 20 0 GFADMN COC[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)OC ZINC000637033786 565134816 /nfs/dbraw/zinc/13/48/16/565134816.db2.gz APIXHQVELMCGOA-WFASDCNBSA-N 0 1 378.300 2.557 20 0 GFADMN CCCC[N@@H+]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680813 565137386 /nfs/dbraw/zinc/13/73/86/565137386.db2.gz DVXKQAOENRYDEO-ZDUSSCGKSA-N 0 1 376.469 2.906 20 0 GFADMN CCCC[N@H+]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588680813 565137388 /nfs/dbraw/zinc/13/73/88/565137388.db2.gz DVXKQAOENRYDEO-ZDUSSCGKSA-N 0 1 376.469 2.906 20 0 GFADMN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)c1ncnn1C ZINC000637080864 565138513 /nfs/dbraw/zinc/13/85/13/565138513.db2.gz SASLPKIZSFEILJ-YGRLFVJLSA-N 0 1 385.299 2.785 20 0 GFADMN COc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000614987199 565141511 /nfs/dbraw/zinc/14/15/11/565141511.db2.gz HFHQBALFSPUPTP-ZFWWWQNUSA-N 0 1 390.958 2.549 20 0 GFADMN CCc1nc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000637177311 565143332 /nfs/dbraw/zinc/14/33/32/565143332.db2.gz HNVXUCCRPGQLAE-ZDUSSCGKSA-N 0 1 385.299 2.776 20 0 GFADMN CCc1nnc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000637177311 565143337 /nfs/dbraw/zinc/14/33/37/565143337.db2.gz HNVXUCCRPGQLAE-ZDUSSCGKSA-N 0 1 385.299 2.776 20 0 GFADMN CN1C[C@@H]2CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000615187888 565150882 /nfs/dbraw/zinc/15/08/82/565150882.db2.gz RIERKCHGCXIDEJ-NKWVEPMBSA-N 0 1 381.167 2.782 20 0 GFADMN Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000658125266 565151736 /nfs/dbraw/zinc/15/17/36/565151736.db2.gz WVAXLEXFPOPCLL-GFCCVEGCSA-N 0 1 382.302 2.685 20 0 GFADMN C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000615302414 565156174 /nfs/dbraw/zinc/15/61/74/565156174.db2.gz MGROWSKUXSMZRQ-ZWNOBZJWSA-N 0 1 378.270 2.868 20 0 GFADMN CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)[C@H]1CCN(C)C1 ZINC000658360347 565160902 /nfs/dbraw/zinc/16/09/02/565160902.db2.gz GXPXGNDJFLULEL-NSHDSACASA-N 0 1 377.794 2.850 20 0 GFADMN COC(C)(C)c1nc(C)c(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)s1 ZINC000589487351 565164951 /nfs/dbraw/zinc/16/49/51/565164951.db2.gz XGTDNXTXVZPUKV-KBPBESRZSA-N 0 1 383.583 2.985 20 0 GFADMN Cn1nc(CNCCNC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000589642815 565169426 /nfs/dbraw/zinc/16/94/26/565169426.db2.gz JNCFMJJBQQNUJV-UHFFFAOYSA-N 0 1 387.281 2.855 20 0 GFADMN NCc1ncc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)cn1 ZINC000637916807 565176937 /nfs/dbraw/zinc/17/69/37/565176937.db2.gz VEIJDWFAGBVIOM-UHFFFAOYSA-N 0 1 379.233 2.642 20 0 GFADMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000615819895 565177477 /nfs/dbraw/zinc/17/74/77/565177477.db2.gz VXBOJGDEEUEUSQ-NWDGAFQWSA-N 0 1 383.901 2.951 20 0 GFADMN NCc1ncc(C(=O)NCC2(c3cccc(Br)c3)CCC2)cn1 ZINC000637944753 565177567 /nfs/dbraw/zinc/17/75/67/565177567.db2.gz MWRAVHJSKOSUKL-UHFFFAOYSA-N 0 1 375.270 2.550 20 0 GFADMN CN(C)[C@@H](CNC(=O)NCc1nccn1CC(F)(F)F)c1ccsc1 ZINC000590156782 565178726 /nfs/dbraw/zinc/17/87/26/565178726.db2.gz AAQBCMWESMMNHQ-LBPRGKRZSA-N 0 1 375.420 2.609 20 0 GFADMN Brc1cnc2c(CNCc3ccc4c(c3)OCCO4)cnn2c1 ZINC000638296573 565191522 /nfs/dbraw/zinc/19/15/22/565191522.db2.gz TZYRHRCRTPTCJY-UHFFFAOYSA-N 0 1 375.226 2.553 20 0 GFADMN C[C@@H](COc1ccccc1C(F)(F)F)NCc1ccc(S(N)(=O)=O)s1 ZINC000638412320 565194881 /nfs/dbraw/zinc/19/48/81/565194881.db2.gz XNPDHBZUXBHGFT-JTQLQIEISA-N 0 1 394.440 2.971 20 0 GFADMN Cn1cc(I)c(CNC[C@@H]2CCOc3ccccc32)n1 ZINC000590661320 565195379 /nfs/dbraw/zinc/19/53/79/565195379.db2.gz KDJNKBIWRJDHGQ-NSHDSACASA-N 0 1 383.233 2.681 20 0 GFADMN CC(=O)N1CC[C@@](N)(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)C1 ZINC000659275916 565210665 /nfs/dbraw/zinc/21/06/65/565210665.db2.gz KDKXGUNMTAFZCU-KRWDZBQOSA-N 0 1 378.885 2.660 20 0 GFADMN C[C@@](CO)(NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Br)cc1 ZINC000616832027 565211220 /nfs/dbraw/zinc/21/12/20/565211220.db2.gz PSZYRCLLUSYBEM-DYVFJYSZSA-N 0 1 378.270 2.616 20 0 GFADMN CCc1nn(C)c(CC)c1CNCc1cnn2cc(Br)cnc12 ZINC000638792929 565211943 /nfs/dbraw/zinc/21/19/43/565211943.db2.gz UPNUPUIPGTWICJ-UHFFFAOYSA-N 0 1 377.290 2.640 20 0 GFADMN O=C(c1sc2c(c1Br)CNC2)N1CCNC[C@@H]1c1ccccc1 ZINC000659322072 565212762 /nfs/dbraw/zinc/21/27/62/565212762.db2.gz DNJYYSCHZNKQEE-CYBMUJFWSA-N 0 1 392.322 2.901 20 0 GFADMN C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1cc2c(cc1Br)OCCO2 ZINC000617136669 565222501 /nfs/dbraw/zinc/22/25/01/565222501.db2.gz QRRNEXTZLPDZLB-SECBINFHSA-N 0 1 392.253 2.923 20 0 GFADMN COc1nsc(CNC2CCN(c3cc(C)[nH]n3)CC2)c1Br ZINC000639086913 565224351 /nfs/dbraw/zinc/22/43/51/565224351.db2.gz AEXIVQATGMRBBR-UHFFFAOYSA-N 0 1 386.319 2.704 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 ZINC000639096973 565224377 /nfs/dbraw/zinc/22/43/77/565224377.db2.gz HKIGJEBAPPIGNJ-LLVKDONJSA-N 0 1 390.292 2.602 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cnn3cc(Br)cnc23)n[nH]1 ZINC000639103558 565224643 /nfs/dbraw/zinc/22/46/43/565224643.db2.gz WIGHNZAIWUABTM-NXEZZACHSA-N 0 1 378.278 2.974 20 0 GFADMN NS(=O)(=O)c1ccc(CNC[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000639156946 565229914 /nfs/dbraw/zinc/22/99/14/565229914.db2.gz JLUAZMKHZYUIAA-MRXNPFEDSA-N 0 1 384.885 2.838 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000639159570 565230291 /nfs/dbraw/zinc/23/02/91/565230291.db2.gz ZMJVTOHDBORHTA-OAHLLOKOSA-N 0 1 397.294 2.710 20 0 GFADMN CCn1cc(CN[C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)nn1 ZINC000639308966 565238674 /nfs/dbraw/zinc/23/86/74/565238674.db2.gz IGHAGIMSBXCDTM-NVXWUHKLSA-N 0 1 378.318 2.986 20 0 GFADMN CCCN1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000660026379 565240444 /nfs/dbraw/zinc/24/04/44/565240444.db2.gz FYOWGXBIZYWCNI-UKRRQHHQSA-N 0 1 390.933 2.516 20 0 GFADMN COCCc1ccc(OC[C@H](C)NCc2c(Br)cnn2C)cc1 ZINC000639381696 565243571 /nfs/dbraw/zinc/24/35/71/565243571.db2.gz PMIUYGFWEWMAIX-ZDUSSCGKSA-N 0 1 382.302 2.929 20 0 GFADMN CNS(=O)(=O)c1ccc(CN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000660106407 565253197 /nfs/dbraw/zinc/25/31/97/565253197.db2.gz DEFWLPWPFPEWHB-UHFFFAOYSA-N 0 1 382.913 2.633 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000592098738 565255980 /nfs/dbraw/zinc/25/59/80/565255980.db2.gz ZBKAIQOXVXYRHX-QWHCGFSZSA-N 0 1 375.296 2.988 20 0 GFADMN COc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)cn1 ZINC000639768047 565258835 /nfs/dbraw/zinc/25/88/35/565258835.db2.gz RBYCCFOEHRPCII-HOCLYGCPSA-N 0 1 385.302 2.653 20 0 GFADMN CNc1cc2c(nn1)CCN(CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000592119067 565259758 /nfs/dbraw/zinc/25/97/58/565259758.db2.gz XJEFVJLXXTXRHG-UHFFFAOYSA-N 0 1 380.279 3.212 20 0 GFADMN CSc1ccccc1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000660151546 565260996 /nfs/dbraw/zinc/26/09/96/565260996.db2.gz UEWCSNWADYIHCR-OAHLLOKOSA-N 0 1 384.567 2.672 20 0 GFADMN COC(=O)[C@@H](CNC(=O)[C@@](C)(N)c1ccc(Br)cc1)CC(C)C ZINC000592174280 565262240 /nfs/dbraw/zinc/26/22/40/565262240.db2.gz LBVFRCIJARTCQW-PXAZEXFGSA-N 0 1 385.302 2.575 20 0 GFADMN CCOC(=O)c1ccc(CNC(=O)[C@](C)(N)c2ccc(Br)cc2)o1 ZINC000592212977 565263223 /nfs/dbraw/zinc/26/32/23/565263223.db2.gz OLVVXFIERYLZFK-QGZVFWFLSA-N 0 1 395.253 2.709 20 0 GFADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592403690 565274276 /nfs/dbraw/zinc/27/42/76/565274276.db2.gz FOECJXRVMQCEEC-DLBZAZTESA-N 0 1 387.307 2.820 20 0 GFADMN CN(CC1CN(C)C1)C(=O)c1cc(Br)ccc1Br ZINC000618190750 565279368 /nfs/dbraw/zinc/27/93/68/565279368.db2.gz DXYUQCPOLZKKPK-UHFFFAOYSA-N 0 1 376.092 2.845 20 0 GFADMN COc1ccc(C)cc1NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000592713098 565289565 /nfs/dbraw/zinc/28/95/65/565289565.db2.gz KHPAZRZVFVBVKQ-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN Cc1cc(CNC(=O)N2CCN(c3ccc(Br)cc3)CC2)n[nH]1 ZINC000660715679 565291063 /nfs/dbraw/zinc/29/10/63/565291063.db2.gz POOWIDSOWXWZLP-UHFFFAOYSA-N 0 1 378.274 2.512 20 0 GFADMN OC[C@H](NCc1cc(Cl)ccc1I)[C@@H]1CCCOC1 ZINC000593035126 565308292 /nfs/dbraw/zinc/30/82/92/565308292.db2.gz YHXBIWJZPOHVSH-YGRLFVJLSA-N 0 1 395.668 2.822 20 0 GFADMN CC[N@H+]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)[C@H](C)C1 ZINC000660790173 565294229 /nfs/dbraw/zinc/29/42/29/565294229.db2.gz FERHYTSJBMXNCY-CYBMUJFWSA-N 0 1 388.375 2.885 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(C)Cc1n[nH]c(=O)o1 ZINC000660849497 565295254 /nfs/dbraw/zinc/29/52/54/565295254.db2.gz CWQYNUKLGLMXKQ-ZETCQYMHSA-N 0 1 378.738 2.906 20 0 GFADMN CC(C)(C)OC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2O)cn1 ZINC000592813067 565297910 /nfs/dbraw/zinc/29/79/10/565297910.db2.gz BFIWFXHRFCUPAZ-UHFFFAOYSA-N 0 1 396.241 2.945 20 0 GFADMN COc1cc(F)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2F)c(F)c1 ZINC000592986452 565304617 /nfs/dbraw/zinc/30/46/17/565304617.db2.gz FNGYRJIBGKKWAD-UHFFFAOYSA-N 0 1 377.340 2.931 20 0 GFADMN OC[C@@H](NCc1cc(Cl)ccc1I)[C@H]1CCCOC1 ZINC000593035124 565308905 /nfs/dbraw/zinc/30/89/05/565308905.db2.gz YHXBIWJZPOHVSH-IINYFYTJSA-N 0 1 395.668 2.822 20 0 GFADMN COc1cc(Br)c(CN2CC[C@H](Cn3ccnn3)C2)cc1OC ZINC000661149943 565309995 /nfs/dbraw/zinc/30/99/95/565309995.db2.gz ZGRHBKYRLHCSCU-LBPRGKRZSA-N 0 1 381.274 2.580 20 0 GFADMN OC[C@@H](NCc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000661153495 565310131 /nfs/dbraw/zinc/31/01/31/565310131.db2.gz IEECSAMGGAHPFK-GFCCVEGCSA-N 0 1 375.782 2.585 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000661499321 565326191 /nfs/dbraw/zinc/32/61/91/565326191.db2.gz AZRGYFNTDPUAGO-HDICACEKSA-N 0 1 381.314 2.766 20 0 GFADMN C[C@@H]1CN(CCN2CCN(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000661576909 565329275 /nfs/dbraw/zinc/32/92/75/565329275.db2.gz REWIEOCTAOJYTR-IYBDPMFKSA-N 0 1 382.346 2.680 20 0 GFADMN O=C(CCc1cc(Br)cs1)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000593409022 565329550 /nfs/dbraw/zinc/32/95/50/565329550.db2.gz ZGMJXWFDPZTATP-CQSZACIVSA-N 0 1 392.282 2.862 20 0 GFADMN CC(C)Cc1noc(Cn2cc([C@H](N)c3ccc(Br)cc3)nn2)n1 ZINC000640916763 565337438 /nfs/dbraw/zinc/33/74/38/565337438.db2.gz CLZRMYZBICXHDN-MRXNPFEDSA-N 0 1 391.273 2.719 20 0 GFADMN CC(C)(C)c1nc(Cn2cc([C@@H](N)c3ccc(Br)cc3)nn2)no1 ZINC000640933421 565337615 /nfs/dbraw/zinc/33/76/15/565337615.db2.gz NJHYUUDQBHALOH-AWEZNQCLSA-N 0 1 391.273 2.818 20 0 GFADMN COCc1nc(Cn2cc([C@@H](N)c3ccc(Br)cc3)nn2)cs1 ZINC000641093133 565344502 /nfs/dbraw/zinc/34/45/02/565344502.db2.gz DWYXXMGFUARIDG-HNNXBMFYSA-N 0 1 394.298 2.740 20 0 GFADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H](CO)CCF ZINC000593689614 565355779 /nfs/dbraw/zinc/35/57/79/565355779.db2.gz ODDRAFIGUOTDFY-NSHDSACASA-N 0 1 390.242 2.776 20 0 GFADMN CCN(CC)[C@@H](CNS(=O)(=O)Cc1cc(OC)ns1)c1ccccc1 ZINC000641259305 565356915 /nfs/dbraw/zinc/35/69/15/565356915.db2.gz PHZSURJIHBIWKE-INIZCTEOSA-N 0 1 383.539 2.654 20 0 GFADMN [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341498 565362007 /nfs/dbraw/zinc/36/20/07/565362007.db2.gz QMHLJBYGWKXWFA-QAPCUYQASA-N 0 1 388.309 2.840 20 0 GFADMN CN(CC[NH+]1CCCCC1)C(=O)c1ccc(I)c([O-])c1 ZINC000593884530 565366423 /nfs/dbraw/zinc/36/64/23/565366423.db2.gz XTUUPJZZYCMXLK-UHFFFAOYSA-N 0 1 388.249 2.555 20 0 GFADMN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662444200 565369282 /nfs/dbraw/zinc/36/92/82/565369282.db2.gz GHWCXHJUBPTYKJ-UHFFFAOYSA-N 0 1 385.251 2.886 20 0 GFADMN C[C@](N)(C(=O)N1CCOc2ccc(O)cc2C1)c1ccc(Br)cc1 ZINC000662734372 565383304 /nfs/dbraw/zinc/38/33/04/565383304.db2.gz GDUKHRHWPXOVHE-GOSISDBHSA-N 0 1 391.265 2.750 20 0 GFADMN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@@]1(C)CO ZINC000620444417 565384006 /nfs/dbraw/zinc/38/40/06/565384006.db2.gz DUMQXSSUUPBOPM-DIFFPNOSSA-N 0 1 378.270 2.930 20 0 GFADMN Brc1ccc2ncnc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1 ZINC000620619930 565389179 /nfs/dbraw/zinc/38/91/79/565389179.db2.gz ZYVCURYYACBUST-AWEZNQCLSA-N 0 1 377.286 2.693 20 0 GFADMN O=C([C@@H]1Cc2ccccc2CN1)N1CCOc2cc(Br)ccc2C1 ZINC000662938785 565390044 /nfs/dbraw/zinc/39/00/44/565390044.db2.gz HYZSVNANVBKHKO-KRWDZBQOSA-N 0 1 387.277 2.885 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)C[C@H]1N(C)C ZINC000594465267 565390127 /nfs/dbraw/zinc/39/01/27/565390127.db2.gz CTKGPSJUXDUUEB-CVEARBPZSA-N 0 1 397.591 2.785 20 0 GFADMN C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000620909377 565400421 /nfs/dbraw/zinc/40/04/21/565400421.db2.gz HTKJYKODGFAUQC-AWEZNQCLSA-N 0 1 397.313 2.870 20 0 GFADMN COC(=O)c1cc(CNC[C@H](O)COc2ccccc2Br)c(C)o1 ZINC000594608248 565403129 /nfs/dbraw/zinc/40/31/29/565403129.db2.gz JWWKHWPYTXWAIV-ZDUSSCGKSA-N 0 1 398.253 2.667 20 0 GFADMN CN[C@@H](C)c1cn(Cc2ccc(I)c(Cl)c2)nn1 ZINC000594655343 565404317 /nfs/dbraw/zinc/40/43/17/565404317.db2.gz JZHJMKYEOYDLSB-QMMMGPOBSA-N 0 1 376.629 2.865 20 0 GFADMN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C(F)(F)F ZINC000594699897 565409240 /nfs/dbraw/zinc/40/92/40/565409240.db2.gz NAZIOLFYEPKTNM-NSHDSACASA-N 0 1 389.779 2.511 20 0 GFADMN CCOCC[C@@H](O)CNCc1cc(Cl)ccc1I ZINC000594717622 565411051 /nfs/dbraw/zinc/41/10/51/565411051.db2.gz DCEOSWLNCRABEB-GFCCVEGCSA-N 0 1 383.657 2.822 20 0 GFADMN CNS(=O)(=O)CCN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000621281594 565414686 /nfs/dbraw/zinc/41/46/86/565414686.db2.gz BLPRJMFYICOXAB-CQSZACIVSA-N 0 1 379.295 2.568 20 0 GFADMN O=S(=O)(CCOCC1CC1)NCC(F)(F)c1ccc(Br)cc1 ZINC000621304539 565416641 /nfs/dbraw/zinc/41/66/41/565416641.db2.gz ARKKJCWBRAPZBJ-UHFFFAOYSA-N 0 1 398.269 2.887 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CC(C)(C)CC[C@H]1CO ZINC000621380078 565423538 /nfs/dbraw/zinc/42/35/38/565423538.db2.gz MRGFWIYLMMYPLQ-ZDUSSCGKSA-N 0 1 389.359 2.952 20 0 GFADMN COC(=O)[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)c1cccc(OC)c1 ZINC000594822555 565425829 /nfs/dbraw/zinc/42/58/29/565425829.db2.gz NJYKAJAWLSRDKK-ZDUSSCGKSA-N 0 1 389.882 2.911 20 0 GFADMN C[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000663775547 565435342 /nfs/dbraw/zinc/43/53/42/565435342.db2.gz YYWYHHXVETWYNU-HOTGVXAUSA-N 0 1 382.302 2.626 20 0 GFADMN CN1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1 ZINC000663775547 565435347 /nfs/dbraw/zinc/43/53/47/565435347.db2.gz YYWYHHXVETWYNU-HOTGVXAUSA-N 0 1 382.302 2.626 20 0 GFADMN O[C@@H](CNCc1cc(Cl)ccc1I)C1CCOCC1 ZINC000594923000 565435547 /nfs/dbraw/zinc/43/55/47/565435547.db2.gz ROCICRVYWWVNLC-AWEZNQCLSA-N 0 1 395.668 2.822 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)N[C@H](c1ccc(Br)cc1)C(F)F ZINC000621751560 565440176 /nfs/dbraw/zinc/44/01/76/565440176.db2.gz IUYQDJNCHFUDNY-SWLSCSKDSA-N 0 1 376.289 2.981 20 0 GFADMN CN(C)c1nccc(CN[C@H]2CCc3ccc(I)cc32)n1 ZINC000595024590 565443753 /nfs/dbraw/zinc/44/37/53/565443753.db2.gz BEFCFFHZLZYACC-HNNXBMFYSA-N 0 1 394.260 2.924 20 0 GFADMN CN(Cc1n[nH]c(=O)o1)C(=O)CCCCOc1ccc(Br)cc1 ZINC000622118436 565462452 /nfs/dbraw/zinc/46/24/52/565462452.db2.gz WPQAPHXWWIDBIM-UHFFFAOYSA-N 0 1 384.230 2.745 20 0 GFADMN COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000595347541 565466614 /nfs/dbraw/zinc/46/66/14/565466614.db2.gz MFNJTYZVHXCVRR-SWLSCSKDSA-N 0 1 393.285 2.969 20 0 GFADMN COC(=O)[C@@H](c1ccccc1Br)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000595347541 565466617 /nfs/dbraw/zinc/46/66/17/565466617.db2.gz MFNJTYZVHXCVRR-SWLSCSKDSA-N 0 1 393.285 2.969 20 0 GFADMN O=C(NCCCc1nc[nH]n1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000664601504 565469258 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CC(C)(C)Oc1nc(NCc2n[nH]c([C@H]3CCCO3)n2)ncc1Br ZINC000656208784 566114481 /nfs/dbraw/zinc/11/44/81/566114481.db2.gz NZOANIABFHSWBC-SNVBAGLBSA-N 0 1 397.277 2.998 20 0 GFADMN COCCN1CCN(Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000656248732 566116419 /nfs/dbraw/zinc/11/64/19/566116419.db2.gz ZWTQKGHNYKOTBD-UHFFFAOYSA-N 0 1 393.329 2.707 20 0 GFADMN COCCCN(CCO)Cc1cn(-c2ccccc2Br)nc1C ZINC000656257482 566119435 /nfs/dbraw/zinc/11/94/35/566119435.db2.gz IYJQZUZYYOOHFI-UHFFFAOYSA-N 0 1 382.302 2.774 20 0 GFADMN Cc1nn(-c2ccccc2Br)cc1CN(C[C@H](O)CO)C(C)C ZINC000656264470 566120532 /nfs/dbraw/zinc/12/05/32/566120532.db2.gz KDPMBQWIUGBPON-HNNXBMFYSA-N 0 1 382.302 2.507 20 0 GFADMN O=C(NC1CC=CC1)c1c[nH]c2ccc(I)cc2c1=O ZINC000611306643 566125179 /nfs/dbraw/zinc/12/51/79/566125179.db2.gz POVSQTSMZFLJRQ-UHFFFAOYSA-N 0 1 380.185 2.581 20 0 GFADMN Cc1nc(CCNc2nc(C(F)(F)F)ccc2I)n[nH]1 ZINC000611370790 566127396 /nfs/dbraw/zinc/12/73/96/566127396.db2.gz OHGWBUSDRYZEKR-UHFFFAOYSA-N 0 1 397.142 2.786 20 0 GFADMN Cc1nnc(CCNc2nc(C(F)(F)F)ccc2I)[nH]1 ZINC000611370790 566127402 /nfs/dbraw/zinc/12/74/02/566127402.db2.gz OHGWBUSDRYZEKR-UHFFFAOYSA-N 0 1 397.142 2.786 20 0 GFADMN Cc1nc(CS(=O)(=O)Cc2cc(Cl)c(C)cc2Br)n[nH]1 ZINC000656532712 566138826 /nfs/dbraw/zinc/13/88/26/566138826.db2.gz VODXXBZUMHKRDZ-UHFFFAOYSA-N 0 1 378.679 2.952 20 0 GFADMN CCn1nc2c(cc1=O)CN(CCOc1cc(F)cc(Br)c1)CC2 ZINC000682085560 566142950 /nfs/dbraw/zinc/14/29/50/566142950.db2.gz WVHZVVCDKRAXBO-UHFFFAOYSA-N 0 1 396.260 2.602 20 0 GFADMN Cc1cc(Cc2nnc(N(C)Cc3cc(Br)cs3)n2C)[nH]n1 ZINC000634319062 566152494 /nfs/dbraw/zinc/15/24/94/566152494.db2.gz GPWOMXDMVHZJJL-UHFFFAOYSA-N 0 1 381.303 2.898 20 0 GFADMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000656757661 566165453 /nfs/dbraw/zinc/16/54/53/566165453.db2.gz SMUFUPLAQBGFIC-MDZLAQPJSA-N 0 1 381.778 2.665 20 0 GFADMN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000634657592 566165539 /nfs/dbraw/zinc/16/55/39/566165539.db2.gz SAGWLTJQTZZGDF-UHFFFAOYSA-N 0 1 377.495 2.562 20 0 GFADMN Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C)c1Br ZINC000682892812 566174741 /nfs/dbraw/zinc/17/47/41/566174741.db2.gz JQCWARPNZZIURN-JKSUJKDBSA-N 0 1 381.314 2.737 20 0 GFADMN CNC(=O)c1cc(NS(=O)(=O)c2cncc(OC(C)C)c2)ccc1Cl ZINC000634787104 566176077 /nfs/dbraw/zinc/17/60/77/566176077.db2.gz JJFCTKPZHWRWPR-UHFFFAOYSA-N 0 1 383.857 2.683 20 0 GFADMN CC(C)COc1ccc(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)cn1 ZINC000634789092 566177603 /nfs/dbraw/zinc/17/76/03/566177603.db2.gz YCYMATHCPJXPKZ-UHFFFAOYSA-N 0 1 378.376 2.670 20 0 GFADMN CCn1ncc(NS(=O)(=O)c2ccc(OC(C)C)nc2)c1C(F)(F)F ZINC000634792079 566178778 /nfs/dbraw/zinc/17/87/78/566178778.db2.gz AVPPZERHKXZYNI-UHFFFAOYSA-N 0 1 378.376 2.905 20 0 GFADMN CCN(CCNC(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1)CCC(F)(F)F ZINC000683157766 566185236 /nfs/dbraw/zinc/18/52/36/566185236.db2.gz QZKJMBGOTWBTAQ-MNOVXSKESA-N 0 1 379.345 2.622 20 0 GFADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000613247817 566190865 /nfs/dbraw/zinc/19/08/65/566190865.db2.gz UUXYYEUJSLBVBY-HICWGWBUSA-N 0 1 393.285 2.880 20 0 GFADMN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1[nH]nc2c1CCCC2 ZINC000683255854 566191153 /nfs/dbraw/zinc/19/11/53/566191153.db2.gz JLHAJWLEHNECQA-ZDUSSCGKSA-N 0 1 392.297 2.632 20 0 GFADMN CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Br)c3)[C@@H]2C1 ZINC000656953293 566192502 /nfs/dbraw/zinc/19/25/02/566192502.db2.gz JVUPMBBCNSHZFT-IINYFYTJSA-N 0 1 393.734 2.817 20 0 GFADMN Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)s1 ZINC000657060138 566214498 /nfs/dbraw/zinc/21/44/98/566214498.db2.gz FKVQQVWYPLKLAU-JTQLQIEISA-N 0 1 381.361 2.970 20 0 GFADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ncccc1Br ZINC000656988276 566200366 /nfs/dbraw/zinc/20/03/66/566200366.db2.gz OBEZZHWBAQMTQJ-UHFFFAOYSA-N 0 1 390.347 2.731 20 0 GFADMN Nc1c(Cl)c(F)cc(C(=O)N2CCC(CN3CCOCC3)CC2)c1Cl ZINC000635335221 566206685 /nfs/dbraw/zinc/20/66/85/566206685.db2.gz ISFMIFWABFYCGW-UHFFFAOYSA-N 0 1 390.286 2.899 20 0 GFADMN Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C(C)(C)C)C2)sc1Br ZINC000657033249 566209685 /nfs/dbraw/zinc/20/96/85/566209685.db2.gz KCJVWQYXQAPZAP-JTQLQIEISA-N 0 1 396.376 2.613 20 0 GFADMN NC(=O)Cc1ccc(CNCc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000683706659 566210430 /nfs/dbraw/zinc/21/04/30/566210430.db2.gz NTHDRGLRJYBBGH-UHFFFAOYSA-N 0 1 399.292 2.952 20 0 GFADMN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1NC(N)=O ZINC000683733038 566211233 /nfs/dbraw/zinc/21/12/33/566211233.db2.gz BQYSCEBPQUAYPU-UHFFFAOYSA-N 0 1 385.829 2.649 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)c(Br)c1 ZINC000657063194 566216218 /nfs/dbraw/zinc/21/62/18/566216218.db2.gz VKHURMWXWZYRQX-NSHDSACASA-N 0 1 391.331 2.609 20 0 GFADMN Cc1cc(CNC(=O)c2cccc(Oc3ccc(-c4nn[nH]n4)cc3)c2)n[nH]1 ZINC000737263803 598828257 /nfs/dbraw/zinc/82/82/57/598828257.db2.gz JPQHDJGWDTZABJ-UHFFFAOYSA-N 0 1 375.392 2.621 20 0 GFADMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736478419 598832852 /nfs/dbraw/zinc/83/28/52/598832852.db2.gz ABUQVRSAVLRMGB-UHFFFAOYSA-N 0 1 382.443 2.899 20 0 GFADMN C[C@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000736115132 598878229 /nfs/dbraw/zinc/87/82/29/598878229.db2.gz XGHQAQNENDHISB-INIZCTEOSA-N 0 1 397.527 2.663 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1-c1nn[nH]n1 ZINC000737187375 598922478 /nfs/dbraw/zinc/92/24/78/598922478.db2.gz RDUWHTFVGGKJSU-QWRGUYRKSA-N 0 1 376.486 2.635 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000737224914 598947129 /nfs/dbraw/zinc/94/71/29/598947129.db2.gz JDOABTDJLBEZMN-UHFFFAOYSA-N 0 1 392.872 2.695 20 0 GFADMN Cn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1-c1ccccc1 ZINC000737594150 598956633 /nfs/dbraw/zinc/95/66/33/598956633.db2.gz WSEJWHUZKORWKA-UHFFFAOYSA-N 0 1 387.432 2.757 20 0 GFADMN CCC(CC)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000736333576 599032833 /nfs/dbraw/zinc/03/28/33/599032833.db2.gz AUOGPWMEKFQNCZ-OAHLLOKOSA-N 0 1 393.495 2.901 20 0 GFADMN CCC(CC)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)[NH2+][C@H](C)c1ccccc1 ZINC000736333576 599032834 /nfs/dbraw/zinc/03/28/34/599032834.db2.gz AUOGPWMEKFQNCZ-OAHLLOKOSA-N 0 1 393.495 2.901 20 0 GFADMN C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736289074 599041242 /nfs/dbraw/zinc/04/12/42/599041242.db2.gz CKKBZSPRTIXZAP-PHIMTYICSA-N 0 1 399.421 2.580 20 0 GFADMN O=C(OCc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000738235958 599058217 /nfs/dbraw/zinc/05/82/17/599058217.db2.gz ZAISJVBMIMGYBE-MRXNPFEDSA-N 0 1 395.438 2.961 20 0 GFADMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H]3[C@H](C2)C3(C)C)c1-c1nn[nH]n1 ZINC000737201679 599146866 /nfs/dbraw/zinc/14/68/66/599146866.db2.gz GTJUYYXOPLUOQL-IYBDPMFKSA-N 0 1 397.527 2.926 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2ccc(C)o2)cc1-c1nn[nH]n1 ZINC000737188083 599183739 /nfs/dbraw/zinc/18/37/39/599183739.db2.gz YCDRBVULELWGBO-GFCCVEGCSA-N 0 1 386.437 2.568 20 0 GFADMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736295495 599226497 /nfs/dbraw/zinc/22/64/97/599226497.db2.gz VFMSDUOBUWILPE-FUHWJXTLSA-N 0 1 398.511 2.501 20 0 GFADMN Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C(=O)[O-] ZINC000821029406 597713605 /nfs/dbraw/zinc/71/36/05/597713605.db2.gz QYUINIVDFFWXMM-GOSISDBHSA-N 0 1 383.448 2.582 20 0 GFADMN O=C(Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCN(C2CCC2)CC1 ZINC000823303663 599289912 /nfs/dbraw/zinc/28/99/12/599289912.db2.gz QBRVADJMUCDAMH-UHFFFAOYSA-N 0 1 395.389 2.588 20 0 GFADMN CC(C)Oc1cccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000735913742 598251116 /nfs/dbraw/zinc/25/11/16/598251116.db2.gz PORJRDCUQYVQPZ-UHFFFAOYSA-N 0 1 378.480 2.976 20 0 GFADMN C[C@H]1CN(CCCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000736284655 598274934 /nfs/dbraw/zinc/27/49/34/598274934.db2.gz CHHSGHRMQXCLIC-RYUDHWBXSA-N 0 1 384.406 2.797 20 0 GFADMN CC(C)[C@@H](CNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000735706712 598274963 /nfs/dbraw/zinc/27/49/63/598274963.db2.gz CPFDXGFLRSFPGK-OAHLLOKOSA-N 0 1 384.406 2.654 20 0 GFADMN COc1ccc(C[N@@H+]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737090133 598275390 /nfs/dbraw/zinc/27/53/90/598275390.db2.gz BMFPSNDOOSYUPW-UHFFFAOYSA-N 0 1 399.886 2.636 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737090133 598275392 /nfs/dbraw/zinc/27/53/92/598275392.db2.gz BMFPSNDOOSYUPW-UHFFFAOYSA-N 0 1 399.886 2.636 20 0 GFADMN COc1ccc(C[N@@H+]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737090133 598275394 /nfs/dbraw/zinc/27/53/94/598275394.db2.gz BMFPSNDOOSYUPW-UHFFFAOYSA-N 0 1 399.886 2.636 20 0 GFADMN COc1ccc(C[N@H+]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737090133 598275396 /nfs/dbraw/zinc/27/53/96/598275396.db2.gz BMFPSNDOOSYUPW-UHFFFAOYSA-N 0 1 399.886 2.636 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3C)C2)cc1-c1nn[nH]n1 ZINC000737188117 598286506 /nfs/dbraw/zinc/28/65/06/598286506.db2.gz ZGPZIUBSJHMMOH-GFCCVEGCSA-N 0 1 396.476 2.627 20 0 GFADMN Clc1cc(NCC2(N3CCOCC3)CCCCC2)ccc1-c1nn[nH]n1 ZINC000737565668 598506834 /nfs/dbraw/zinc/50/68/34/598506834.db2.gz NZROIFZPWPICIW-UHFFFAOYSA-N 0 1 376.892 2.967 20 0 GFADMN CCN(CC)CC(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736534470 598549566 /nfs/dbraw/zinc/54/95/66/598549566.db2.gz OYYMISYXFDKRJD-UHFFFAOYSA-N 0 1 380.452 2.726 20 0 GFADMN CCN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000736510643 598557670 /nfs/dbraw/zinc/55/76/70/598557670.db2.gz DPQJEIHTTZCADB-HNNXBMFYSA-N 0 1 394.479 2.767 20 0 GFADMN CCN(Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736558639 598621405 /nfs/dbraw/zinc/62/14/05/598621405.db2.gz OPOFTAOEOHKUPH-GOSISDBHSA-N 0 1 380.427 2.633 20 0 GFADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737797061 598697703 /nfs/dbraw/zinc/69/77/03/598697703.db2.gz DCCJKWZQMRNYNN-VMPITWQZSA-N 0 1 379.811 2.726 20 0 GFADMN CCN(CC(=O)NCc1cccc(C)c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736511542 598700285 /nfs/dbraw/zinc/70/02/85/598700285.db2.gz SFONFGRVZGVXNO-MRXNPFEDSA-N 0 1 378.480 2.874 20 0 GFADMN CC(C)N(CCOc1cccc(-c2nn[nH]n2)c1)CC(=O)Nc1ccc(F)cc1 ZINC000735860611 598766504 /nfs/dbraw/zinc/76/65/04/598766504.db2.gz JFFZGPUAAUEHBI-UHFFFAOYSA-N 0 1 398.442 2.734 20 0 GFADMN CC[C@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)C ZINC000736333422 598815844 /nfs/dbraw/zinc/81/58/44/598815844.db2.gz PZSGFQMKTZLPFP-GOSISDBHSA-N 0 1 384.528 2.973 20 0 GFADMN C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357355 599298743 /nfs/dbraw/zinc/29/87/43/599298743.db2.gz GPXDLBLXNAVTAL-SWLSCSKDSA-N 0 1 385.497 2.591 20 0 GFADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000736199128 599309822 /nfs/dbraw/zinc/30/98/22/599309822.db2.gz VSEDXHYVVGJNAE-OAHLLOKOSA-N 0 1 394.454 2.915 20 0 GFADMN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000821667200 599391617 /nfs/dbraw/zinc/39/16/17/599391617.db2.gz ZMABXRQLBJKULK-AAEUAGOBSA-N 0 1 396.451 2.520 20 0 GFADMN O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822997096 599413168 /nfs/dbraw/zinc/41/31/68/599413168.db2.gz MZAAKPGOMUJABM-UHFFFAOYSA-N 0 1 395.467 2.886 20 0 GFADMN C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736011012 599440440 /nfs/dbraw/zinc/44/04/40/599440440.db2.gz YIDUERZCEZLZTF-AWEZNQCLSA-N 0 1 398.902 2.538 20 0 GFADMN Fc1ccc(-c2nn[nH]n2)cc1CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000822761255 599455633 /nfs/dbraw/zinc/45/56/33/599455633.db2.gz FABIESQIJSSFER-GOSISDBHSA-N 0 1 383.427 2.853 20 0 GFADMN C[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000820768768 599530932 /nfs/dbraw/zinc/53/09/32/599530932.db2.gz PNLRDDDXJMEUMF-AUUYWEPGSA-N 0 1 398.898 2.764 20 0 GFADMN O=S(=O)(Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000738341088 599561244 /nfs/dbraw/zinc/56/12/44/599561244.db2.gz FFDIXFHFXUYUFS-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN c1cc(-c2nnc(CN(C[C@@H]3CCCO3)C3CCCC3)o2)ccc1-c1nn[nH]n1 ZINC000823737426 599581746 /nfs/dbraw/zinc/58/17/46/599581746.db2.gz DNLXKWGVXBNOES-KRWDZBQOSA-N 0 1 395.467 2.840 20 0 GFADMN COc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737145031 599592415 /nfs/dbraw/zinc/59/24/15/599592415.db2.gz APKMRCWDXNZTIJ-GOEBONIOSA-N 0 1 392.463 2.692 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCNC(C)(C)c1nc(C)c(C)s1 ZINC000821701986 599645703 /nfs/dbraw/zinc/64/57/03/599645703.db2.gz CJTUVJSOQQDWSE-UHFFFAOYSA-N 0 1 388.497 2.852 20 0 GFADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000823331846 599700384 /nfs/dbraw/zinc/70/03/84/599700384.db2.gz HUBSHLPZWLDJER-GOSISDBHSA-N 0 1 380.427 2.999 20 0 GFADMN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000738458869 599717035 /nfs/dbraw/zinc/71/70/35/599717035.db2.gz DDNPXONQIPTMOF-UHFFFAOYSA-N 0 1 399.422 2.813 20 0 GFADMN COc1ccc([C@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C(=O)[O-])cc1 ZINC000737958860 599763099 /nfs/dbraw/zinc/76/30/99/599763099.db2.gz KNQQNPUFEUZRGK-IBGZPJMESA-N 0 1 383.448 2.557 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738516756 599785176 /nfs/dbraw/zinc/78/51/76/599785176.db2.gz BARZFQQUCOSRTB-JKSUJKDBSA-N 0 1 389.496 2.504 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000738516756 599785179 /nfs/dbraw/zinc/78/51/79/599785179.db2.gz BARZFQQUCOSRTB-JKSUJKDBSA-N 0 1 389.496 2.504 20 0 GFADMN COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125815 599787998 /nfs/dbraw/zinc/78/79/98/599787998.db2.gz BHJYMBZCXFCDMF-WOJBJXKFSA-N 0 1 394.471 2.870 20 0 GFADMN COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000738125815 599787999 /nfs/dbraw/zinc/78/79/99/599787999.db2.gz BHJYMBZCXFCDMF-WOJBJXKFSA-N 0 1 394.471 2.870 20 0 GFADMN C[N@@H+](CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000737441338 599815624 /nfs/dbraw/zinc/81/56/24/599815624.db2.gz MTSRXZKCQSNUFB-UHFFFAOYSA-N 0 1 396.491 2.666 20 0 GFADMN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000521886984 599875083 /nfs/dbraw/zinc/87/50/83/599875083.db2.gz UUQDQUNDXFXKBR-SJLPKXTDSA-N 0 1 385.416 2.690 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132790539 599932747 /nfs/dbraw/zinc/93/27/47/599932747.db2.gz WAWOOMLCLVYUBB-QGZVFWFLSA-N 0 1 388.489 2.636 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132790539 599932749 /nfs/dbraw/zinc/93/27/49/599932749.db2.gz WAWOOMLCLVYUBB-QGZVFWFLSA-N 0 1 388.489 2.636 20 0 GFADMN C[C@H](C[N@H+](CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580075 599934166 /nfs/dbraw/zinc/93/41/66/599934166.db2.gz XKCZFXPXQGRQPJ-PEBXRYMYSA-N 0 1 395.459 2.749 20 0 GFADMN C[C@H](C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1)C(=O)[O-] ZINC000736580075 599934167 /nfs/dbraw/zinc/93/41/67/599934167.db2.gz XKCZFXPXQGRQPJ-PEBXRYMYSA-N 0 1 395.459 2.749 20 0 GFADMN C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000737472046 599963078 /nfs/dbraw/zinc/96/30/78/599963078.db2.gz JSECHIKBANIQCG-MRXNPFEDSA-N 0 1 388.443 2.881 20 0 GFADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000737520483 599973022 /nfs/dbraw/zinc/97/30/22/599973022.db2.gz KKTYECRIHLZPKN-LSDHHAIUSA-N 0 1 391.537 2.822 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000740175338 600016920 /nfs/dbraw/zinc/01/69/20/600016920.db2.gz PHGXVQVZAMZGMF-QGZVFWFLSA-N 0 1 380.510 2.708 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)CCc3ccc(C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738407380 600045279 /nfs/dbraw/zinc/04/52/79/600045279.db2.gz FRIUHDYRINZLEI-GOSISDBHSA-N 0 1 382.464 2.509 20 0 GFADMN C[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000736596039 600062777 /nfs/dbraw/zinc/06/27/77/600062777.db2.gz UKXOIIUEYORZTK-SFHVURJKSA-N 0 1 395.503 2.644 20 0 GFADMN CC(C)C[C@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736411422 600089446 /nfs/dbraw/zinc/08/94/46/600089446.db2.gz GTACULQIZPDIPF-HNNXBMFYSA-N 0 1 385.302 2.539 20 0 GFADMN CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302614 600097209 /nfs/dbraw/zinc/09/72/09/600097209.db2.gz GVAMWJJUHHXZCA-GDBMZVCRSA-N 0 1 385.468 2.511 20 0 GFADMN CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737302614 600097213 /nfs/dbraw/zinc/09/72/13/600097213.db2.gz GVAMWJJUHHXZCA-GDBMZVCRSA-N 0 1 385.468 2.511 20 0 GFADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000736724378 600110859 /nfs/dbraw/zinc/11/08/59/600110859.db2.gz LDRHGDBHWLEQND-KRWDZBQOSA-N 0 1 393.487 2.606 20 0 GFADMN CC[C@@]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736914988 600132254 /nfs/dbraw/zinc/13/22/54/600132254.db2.gz ALIRAZGQSIBAMK-MBSDFSHPSA-N 0 1 395.503 2.609 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000262641121 600137081 /nfs/dbraw/zinc/13/70/81/600137081.db2.gz HIUXDTULDWWURB-KDOFPFPSSA-N 0 1 376.453 2.889 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000739583829 600140508 /nfs/dbraw/zinc/14/05/08/600140508.db2.gz TWSADGFMSXACER-HIFRSBDPSA-N 0 1 387.461 2.815 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000739583829 600140512 /nfs/dbraw/zinc/14/05/12/600140512.db2.gz TWSADGFMSXACER-HIFRSBDPSA-N 0 1 387.461 2.815 20 0 GFADMN Cc1ccccc1COc1c(C)cc(C[N@H+](C)CC(=O)NCC(=O)[O-])cc1C ZINC000262180625 600178406 /nfs/dbraw/zinc/17/84/06/600178406.db2.gz FLBYVRTVYKJZFC-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN Cc1ccccc1COc1c(C)cc(C[N@@H+](C)CC(=O)NCC(=O)[O-])cc1C ZINC000262180625 600178407 /nfs/dbraw/zinc/17/84/07/600178407.db2.gz FLBYVRTVYKJZFC-UHFFFAOYSA-N 0 1 384.476 2.823 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000739623575 600179510 /nfs/dbraw/zinc/17/95/10/600179510.db2.gz DLMJOIIWHNBLGT-VQTJNVASSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000739623575 600179511 /nfs/dbraw/zinc/17/95/11/600179511.db2.gz DLMJOIIWHNBLGT-VQTJNVASSA-N 0 1 396.512 2.815 20 0 GFADMN O=C([O-])[C@H]1CCC[N@@H+]1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000576591369 600228994 /nfs/dbraw/zinc/22/89/94/600228994.db2.gz JQWIBWOKLOHUCC-RBUKOAKNSA-N 0 1 391.414 2.981 20 0 GFADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C1 ZINC000736941566 600270844 /nfs/dbraw/zinc/27/08/44/600270844.db2.gz WXUXPQLUBKDEHU-OAHLLOKOSA-N 0 1 391.512 2.783 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC000736806561 600270934 /nfs/dbraw/zinc/27/09/34/600270934.db2.gz CXNBHLOQKJLACQ-GPMSIDNRSA-N 0 1 386.492 2.623 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000736789999 600286183 /nfs/dbraw/zinc/28/61/83/600286183.db2.gz SHGPFBBJKJBZFH-HUUCEWRRSA-N 0 1 379.526 2.971 20 0 GFADMN O=C([O-])[C@H]1CC12CC[NH+](Cc1nnc(-c3ccc(Br)o3)o1)CC2 ZINC000405287217 600291680 /nfs/dbraw/zinc/29/16/80/600291680.db2.gz GWJNHTIXOFMGJN-SECBINFHSA-N 0 1 382.214 2.779 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000737285969 600294444 /nfs/dbraw/zinc/29/44/44/600294444.db2.gz XIMZJJAVDCPJII-MRXNPFEDSA-N 0 1 386.452 2.569 20 0 GFADMN CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)sc2c1 ZINC000737211795 600304490 /nfs/dbraw/zinc/30/44/90/600304490.db2.gz WNBMNRPZLNSDOA-ZDUSSCGKSA-N 0 1 389.477 2.820 20 0 GFADMN Cc1cccc(C[C@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000738698267 600363511 /nfs/dbraw/zinc/36/35/11/600363511.db2.gz JZTURELAMHYPQX-DYESRHJHSA-N 0 1 380.488 2.801 20 0 GFADMN Cc1cccc(C[C@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000738698267 600363515 /nfs/dbraw/zinc/36/35/15/600363515.db2.gz JZTURELAMHYPQX-DYESRHJHSA-N 0 1 380.488 2.801 20 0 GFADMN CCN(CCC(=O)[O-])Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000737096622 600422989 /nfs/dbraw/zinc/42/29/89/600422989.db2.gz PIWZFCVIUUQLGA-CYBMUJFWSA-N 0 1 395.504 2.919 20 0 GFADMN CCN1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(Cl)c3)cn2)CC1 ZINC000737121513 600424897 /nfs/dbraw/zinc/42/48/97/600424897.db2.gz BNMBWAYNOILDMI-IBGZPJMESA-N 0 1 388.899 2.792 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])C(C)C)cc1OC ZINC000737985987 600445631 /nfs/dbraw/zinc/44/56/31/600445631.db2.gz JJZCLGCDQPLHFM-INIZCTEOSA-N 0 1 378.469 2.552 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(C(=O)[O-])c1C ZINC000736183218 600480798 /nfs/dbraw/zinc/48/07/98/600480798.db2.gz UVIBMSJGTOTWTB-QGZVFWFLSA-N 0 1 397.475 2.547 20 0 GFADMN C[C@@H]1SCC[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)[C@H]1C ZINC000736836499 600489066 /nfs/dbraw/zinc/48/90/66/600489066.db2.gz IPYJCNGRDMKVGJ-DCGLDWPTSA-N 0 1 375.494 2.547 20 0 GFADMN CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCCC(=O)[O-] ZINC000737008205 600497597 /nfs/dbraw/zinc/49/75/97/600497597.db2.gz WSRWRJKNZLVSDL-GOSISDBHSA-N 0 1 382.526 2.558 20 0 GFADMN O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000739719122 600502698 /nfs/dbraw/zinc/50/26/98/600502698.db2.gz RVFGKLHKDFWDLB-HKUYNNGSSA-N 0 1 392.471 2.520 20 0 GFADMN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000737987700 600506875 /nfs/dbraw/zinc/50/68/75/600506875.db2.gz YKWFLVGJDJIFTQ-MRXNPFEDSA-N 0 1 390.480 2.744 20 0 GFADMN COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000737987700 600506877 /nfs/dbraw/zinc/50/68/77/600506877.db2.gz YKWFLVGJDJIFTQ-MRXNPFEDSA-N 0 1 390.480 2.744 20 0 GFADMN CN(C)[C@@H](CNC(=O)NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccsc1 ZINC000825849355 607449928 /nfs/dbraw/zinc/44/99/28/607449928.db2.gz KNWWNHGKPSCXKM-INIZCTEOSA-N 0 1 397.508 2.519 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000832923345 600707899 /nfs/dbraw/zinc/70/78/99/600707899.db2.gz YDCKMAKJYYPVLG-LEWJYISDSA-N 0 1 396.487 2.571 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(=O)[O-])cc1 ZINC000832923345 600707901 /nfs/dbraw/zinc/70/79/01/600707901.db2.gz YDCKMAKJYYPVLG-LEWJYISDSA-N 0 1 396.487 2.571 20 0 GFADMN CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)[O-])C12CCCC2 ZINC000737164202 600721286 /nfs/dbraw/zinc/72/12/86/600721286.db2.gz AXPBTECSQFTPCE-DYVGXENMSA-N 0 1 382.526 2.548 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC[N@H+]1C ZINC000828177868 600739675 /nfs/dbraw/zinc/73/96/75/600739675.db2.gz VGZGNUQYKVHWRA-UGFHNGPFSA-N 0 1 398.301 2.747 20 0 GFADMN Cc1ccccc1C[NH+]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000832980242 600793287 /nfs/dbraw/zinc/79/32/87/600793287.db2.gz ZYHKBFXWUDDSIT-SFHVURJKSA-N 0 1 399.516 2.678 20 0 GFADMN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)C1=O ZINC000833335908 600795335 /nfs/dbraw/zinc/79/53/35/600795335.db2.gz GHSYOGSNOHMKJS-DAYGRLMNSA-N 0 1 397.500 2.620 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)OCc3cc(C(=O)[O-])oc3C)cc2F)CC1 ZINC000737114668 600804609 /nfs/dbraw/zinc/80/46/09/600804609.db2.gz DBBFTXHHPLIHCC-UHFFFAOYSA-N 0 1 390.411 2.924 20 0 GFADMN C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828500681 600812809 /nfs/dbraw/zinc/81/28/09/600812809.db2.gz WJFZLKKHJJGAMM-WCQYABFASA-N 0 1 381.885 2.739 20 0 GFADMN C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828500681 600812812 /nfs/dbraw/zinc/81/28/12/600812812.db2.gz WJFZLKKHJJGAMM-WCQYABFASA-N 0 1 381.885 2.739 20 0 GFADMN O=C([O-])c1ccc(OCC[NH+]2CCN(c3cccc(O)c3)CC2)c(Cl)c1 ZINC000833321666 600818056 /nfs/dbraw/zinc/81/80/56/600818056.db2.gz YTTUZJMPNPMZIH-UHFFFAOYSA-N 0 1 376.840 2.945 20 0 GFADMN CC(C)[C@H]1C[N@@H+](CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCS1 ZINC000826741752 600850157 /nfs/dbraw/zinc/85/01/57/600850157.db2.gz NYHSYKQVOFYIBP-AEFFLSMTSA-N 0 1 389.521 2.795 20 0 GFADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000737359364 600893132 /nfs/dbraw/zinc/89/31/32/600893132.db2.gz RXUVONWYFOTTKR-OAHLLOKOSA-N 0 1 394.880 2.720 20 0 GFADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000829277137 600994192 /nfs/dbraw/zinc/99/41/92/600994192.db2.gz REFBQIXIIRMOBA-IBGZPJMESA-N 0 1 376.497 2.806 20 0 GFADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000833158196 600996049 /nfs/dbraw/zinc/99/60/49/600996049.db2.gz VMCIINYRINPJPG-PBHICJAKSA-N 0 1 375.375 2.987 20 0 GFADMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCOc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000832941186 601008398 /nfs/dbraw/zinc/00/83/98/601008398.db2.gz GYLVHYMFUQNATM-KRWDZBQOSA-N 0 1 383.448 2.818 20 0 GFADMN C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC(=O)NCc1ccccc1 ZINC000830791989 601014479 /nfs/dbraw/zinc/01/44/79/601014479.db2.gz KNSBMDKYVRZBTO-UHFFFAOYSA-N 0 1 376.840 2.665 20 0 GFADMN C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC(=O)NCc1ccccc1 ZINC000830791989 601014483 /nfs/dbraw/zinc/01/44/83/601014483.db2.gz KNSBMDKYVRZBTO-UHFFFAOYSA-N 0 1 376.840 2.665 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000833221085 601018526 /nfs/dbraw/zinc/01/85/26/601018526.db2.gz AQRUGRPVFLIADB-KRWDZBQOSA-N 0 1 394.512 2.646 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000833221085 601018529 /nfs/dbraw/zinc/01/85/29/601018529.db2.gz AQRUGRPVFLIADB-KRWDZBQOSA-N 0 1 394.512 2.646 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000833220845 601018668 /nfs/dbraw/zinc/01/86/68/601018668.db2.gz BKOXVKBCZBJFBM-GOSISDBHSA-N 0 1 391.537 2.898 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000833220845 601018669 /nfs/dbraw/zinc/01/86/69/601018669.db2.gz BKOXVKBCZBJFBM-GOSISDBHSA-N 0 1 391.537 2.898 20 0 GFADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000830819409 601025668 /nfs/dbraw/zinc/02/56/68/601025668.db2.gz JXSYCVUAPZOFBN-GFCCVEGCSA-N 0 1 391.320 2.844 20 0 GFADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000830819409 601025671 /nfs/dbraw/zinc/02/56/71/601025671.db2.gz JXSYCVUAPZOFBN-GFCCVEGCSA-N 0 1 391.320 2.844 20 0 GFADMN CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@@H](C)C1 ZINC000829760202 601027708 /nfs/dbraw/zinc/02/77/08/601027708.db2.gz OKKOJZLUNYGQTN-DZGCQCFKSA-N 0 1 393.553 2.926 20 0 GFADMN CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)[C@H](C)C1 ZINC000829759847 601027798 /nfs/dbraw/zinc/02/77/98/601027798.db2.gz LVEPEGNQBKKXQT-TZMCWYRMSA-N 0 1 379.526 2.536 20 0 GFADMN C[C@@]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)(C(=O)[O-])C1CC1 ZINC000827728298 601032593 /nfs/dbraw/zinc/03/25/93/601032593.db2.gz QVHWWFMGIQRIKS-KUHUBIRLSA-N 0 1 387.461 2.862 20 0 GFADMN CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000830681721 601043426 /nfs/dbraw/zinc/04/34/26/601043426.db2.gz DHGOZHCYDAQYDJ-SFHVURJKSA-N 0 1 381.476 2.777 20 0 GFADMN Cc1ccc(-c2noc(CCC[N@@H+](CC(=O)[O-])C3CCOCC3)n2)cc1F ZINC000570970743 601044791 /nfs/dbraw/zinc/04/47/91/601044791.db2.gz QWGDPSOYHWSVBR-UHFFFAOYSA-N 0 1 377.416 2.682 20 0 GFADMN C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC000830714233 601047072 /nfs/dbraw/zinc/04/70/72/601047072.db2.gz NMIBIKGLIBYIQC-CQSZACIVSA-N 0 1 391.537 2.537 20 0 GFADMN C/C(=C/C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C(=O)[O-] ZINC000825734086 601051527 /nfs/dbraw/zinc/05/15/27/601051527.db2.gz HNEVXXWBFJREIP-HUMZTAOYSA-N 0 1 382.258 2.526 20 0 GFADMN COc1cc(C(=O)[O-])cc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1OC ZINC000831892248 601078961 /nfs/dbraw/zinc/07/89/61/601078961.db2.gz OJDWWUGDEUKVKI-CQSZACIVSA-N 0 1 379.457 2.740 20 0 GFADMN Cc1oc(CN(C)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000833025125 601196131 /nfs/dbraw/zinc/19/61/31/601196131.db2.gz CBNQDTIDMPMRIG-UHFFFAOYSA-N 0 1 377.416 2.699 20 0 GFADMN CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000830781021 601228580 /nfs/dbraw/zinc/22/85/80/601228580.db2.gz CESHCKLVWMROIS-JLHYYAGUSA-N 0 1 380.510 2.669 20 0 GFADMN CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000184983946 601237467 /nfs/dbraw/zinc/23/74/67/601237467.db2.gz DWOCRSZUOXVPGX-VIFPVBQESA-N 0 1 383.297 2.700 20 0 GFADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000828295236 601261908 /nfs/dbraw/zinc/26/19/08/601261908.db2.gz BSPFTNMIFMJZGE-INIZCTEOSA-N 0 1 388.489 2.670 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000828295236 601261909 /nfs/dbraw/zinc/26/19/09/601261909.db2.gz BSPFTNMIFMJZGE-INIZCTEOSA-N 0 1 388.489 2.670 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000398092904 601264717 /nfs/dbraw/zinc/26/47/17/601264717.db2.gz JVHZYBLCOOKECW-BBRMVZONSA-N 0 1 394.518 2.635 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000393123436 601264878 /nfs/dbraw/zinc/26/48/78/601264878.db2.gz SKFJAJJPHSGMRR-GFCCVEGCSA-N 0 1 382.507 2.704 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000832918868 601328038 /nfs/dbraw/zinc/32/80/38/601328038.db2.gz YORFNERXGVPRAV-YJBOKZPZSA-N 0 1 390.480 2.680 20 0 GFADMN Cc1cc(N2CCC(NC(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)nc(C)[nH+]1 ZINC000832890130 601338006 /nfs/dbraw/zinc/33/80/06/601338006.db2.gz ULMYEUXDRSRXOM-UHFFFAOYSA-N 0 1 387.415 2.721 20 0 GFADMN CN(C(=O)C[NH+]1CCC(N(C)c2ccccc2)CC1)c1ccccc1C(=O)[O-] ZINC000830477716 601374678 /nfs/dbraw/zinc/37/46/78/601374678.db2.gz CGYIJSTXBMGVAF-UHFFFAOYSA-N 0 1 381.476 2.948 20 0 GFADMN COc1ccc(COC[C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000573339971 601433889 /nfs/dbraw/zinc/43/38/89/601433889.db2.gz ALWLIDAXFJEKOY-SFHLNBCPSA-N 0 1 391.508 2.928 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@](F)(C(=O)[O-])C3)ccc2c1 ZINC000832504285 601435811 /nfs/dbraw/zinc/43/58/11/601435811.db2.gz MDFSFYMWIVQGOQ-LHSJRXKWSA-N 0 1 388.439 2.694 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@](F)(C(=O)[O-])C3)ccc2c1 ZINC000832504285 601435812 /nfs/dbraw/zinc/43/58/12/601435812.db2.gz MDFSFYMWIVQGOQ-LHSJRXKWSA-N 0 1 388.439 2.694 20 0 GFADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000582909772 601457800 /nfs/dbraw/zinc/45/78/00/601457800.db2.gz UMYYOVULJYHDOE-ZRCGQRJVSA-N 0 1 399.487 2.637 20 0 GFADMN Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000582909772 601457802 /nfs/dbraw/zinc/45/78/02/601457802.db2.gz UMYYOVULJYHDOE-ZRCGQRJVSA-N 0 1 399.487 2.637 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000422590346 601515218 /nfs/dbraw/zinc/51/52/18/601515218.db2.gz OSEBFDZCHQEMNL-WIYYLYMNSA-N 0 1 380.488 2.910 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2COc2ccccc2)C[C@H]1C(=O)[O-] ZINC000263151891 601525418 /nfs/dbraw/zinc/52/54/18/601525418.db2.gz FLSWSBPLPDCWLN-OXQOHEQNSA-N 0 1 382.460 2.534 20 0 GFADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000832504923 601530624 /nfs/dbraw/zinc/53/06/24/601530624.db2.gz ZJANGICZLRDTGY-AVYPCKFXSA-N 0 1 384.476 2.848 20 0 GFADMN COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000831821667 601539821 /nfs/dbraw/zinc/53/98/21/601539821.db2.gz CTHCDYMNHPMKLO-VQTJNVASSA-N 0 1 388.508 2.805 20 0 GFADMN COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000831821667 601539823 /nfs/dbraw/zinc/53/98/23/601539823.db2.gz CTHCDYMNHPMKLO-VQTJNVASSA-N 0 1 388.508 2.805 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC000828433289 601540884 /nfs/dbraw/zinc/54/08/84/601540884.db2.gz TVYMHZLPHMBGGI-MAODMQOUSA-N 0 1 378.472 2.813 20 0 GFADMN O=C([O-])[C@]1(F)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000833099491 601555289 /nfs/dbraw/zinc/55/52/89/601555289.db2.gz BWJLWKZCVQFJOU-MJGOQNOKSA-N 0 1 376.453 2.842 20 0 GFADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000833099490 601555374 /nfs/dbraw/zinc/55/53/74/601555374.db2.gz BWJLWKZCVQFJOU-IEBWSBKVSA-N 0 1 376.453 2.842 20 0 GFADMN CC[N@H+](CCC(=O)[O-])CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000829701573 601593395 /nfs/dbraw/zinc/59/33/95/601593395.db2.gz HASOYCXQJNBBPW-UHFFFAOYSA-N 0 1 386.448 2.861 20 0 GFADMN CC[N@@H+](CCC(=O)[O-])CC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C ZINC000829701573 601593396 /nfs/dbraw/zinc/59/33/96/601593396.db2.gz HASOYCXQJNBBPW-UHFFFAOYSA-N 0 1 386.448 2.861 20 0 GFADMN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])c(F)c3)C2)no1 ZINC000827153798 601645078 /nfs/dbraw/zinc/64/50/78/601645078.db2.gz ZIKHREIMIKDPOE-AWEZNQCLSA-N 0 1 376.432 2.737 20 0 GFADMN CC(C)[N@@H+]1C[C@H](Nc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)[C@@H](C)C1 ZINC000828424239 601685698 /nfs/dbraw/zinc/68/56/98/601685698.db2.gz OMFRDPAMDGWSEZ-WFASDCNBSA-N 0 1 390.871 2.725 20 0 GFADMN O=C([O-])[C@]1(NC(=O)CCc2ccccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833102146 601731178 /nfs/dbraw/zinc/73/11/78/601731178.db2.gz DSFFRKLJGILKKX-QFIPXVFZSA-N 0 1 384.451 2.994 20 0 GFADMN O=C([O-])[C@]1(NC(=O)[C@@H]2Cc3ccccc3S2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129040 601733830 /nfs/dbraw/zinc/73/38/30/601733830.db2.gz SSHIXPPCUYYNEE-UGKGYDQZSA-N 0 1 396.512 2.939 20 0 GFADMN O=C([O-])[C@]1(NC(=O)CCc2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833102952 601734710 /nfs/dbraw/zinc/73/47/10/601734710.db2.gz XVABVGLNZHOOQK-QFIPXVFZSA-N 0 1 384.451 2.994 20 0 GFADMN C[C@@H](Sc1ccccn1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827921299 601777706 /nfs/dbraw/zinc/77/77/06/601777706.db2.gz DJQZCUAKFYPOMO-IIBYNOLFSA-N 0 1 399.516 2.798 20 0 GFADMN C[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000828128110 601883369 /nfs/dbraw/zinc/88/33/69/601883369.db2.gz PLOQCPXPJUMVOP-QFIPXVFZSA-N 0 1 393.443 2.775 20 0 GFADMN C[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000828128110 601883371 /nfs/dbraw/zinc/88/33/71/601883371.db2.gz PLOQCPXPJUMVOP-QFIPXVFZSA-N 0 1 393.443 2.775 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)C2=O)c1 ZINC000833330408 601884170 /nfs/dbraw/zinc/88/41/70/601884170.db2.gz RUMGSCCVPFLOCK-INIZCTEOSA-N 0 1 397.406 2.740 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)C2=O)c1 ZINC000833330408 601884171 /nfs/dbraw/zinc/88/41/71/601884171.db2.gz RUMGSCCVPFLOCK-INIZCTEOSA-N 0 1 397.406 2.740 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000568771869 601891976 /nfs/dbraw/zinc/89/19/76/601891976.db2.gz FWNDIVLRHOCCLB-MOPGFXCFSA-N 0 1 387.501 2.985 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000828024851 601919751 /nfs/dbraw/zinc/91/97/51/601919751.db2.gz YSAPEECMYVZNDO-IBGZPJMESA-N 0 1 387.461 2.736 20 0 GFADMN 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C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738618593 601946720 /nfs/dbraw/zinc/94/67/20/601946720.db2.gz UJRYOAVISBYBGH-ZIAGYGMSSA-N 0 1 380.514 2.787 20 0 GFADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738618593 601946722 /nfs/dbraw/zinc/94/67/22/601946722.db2.gz UJRYOAVISBYBGH-ZIAGYGMSSA-N 0 1 380.514 2.787 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000740643704 601951654 /nfs/dbraw/zinc/95/16/54/601951654.db2.gz PWCXPAPJACABKY-AWEZNQCLSA-N 0 1 389.452 2.646 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000740643704 601951656 /nfs/dbraw/zinc/95/16/56/601951656.db2.gz PWCXPAPJACABKY-AWEZNQCLSA-N 0 1 389.452 2.646 20 0 GFADMN CSCc1cccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c1 ZINC000826229164 607535591 /nfs/dbraw/zinc/53/55/91/607535591.db2.gz RWDKNOSNOSOXHK-UHFFFAOYSA-N 0 1 375.479 2.839 20 0 GFADMN CC[N@H+](Cc1ccccn1)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C 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O=C([O-])N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000740433391 602570044 /nfs/dbraw/zinc/57/00/44/602570044.db2.gz POWGLCHEXIODFD-VQTJNVASSA-N 0 1 381.476 2.745 20 0 GFADMN O=C([O-])N1CCC[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000740418044 602576353 /nfs/dbraw/zinc/57/63/53/602576353.db2.gz LOEQJGPGXCGOMR-XVLXNVKGSA-N 0 1 386.496 2.624 20 0 GFADMN CN(C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000739649689 602625260 /nfs/dbraw/zinc/62/52/60/602625260.db2.gz LIKRAYISIJTAHJ-OALUTQOASA-N 0 1 388.512 2.540 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739606748 602692877 /nfs/dbraw/zinc/69/28/77/602692877.db2.gz GOIVPWIKZWYBDQ-CZUORRHYSA-N 0 1 382.892 2.632 20 0 GFADMN O=C([O-])N1CCC[C@H]1C1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000740729799 602718840 /nfs/dbraw/zinc/71/88/40/602718840.db2.gz QXTZEZSAPQUKQF-WMZOPIPTSA-N 0 1 375.444 2.785 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000738999289 602753342 /nfs/dbraw/zinc/75/33/42/602753342.db2.gz HJAXNOBKARURKG-YJBOKZPZSA-N 0 1 391.537 2.671 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178507 602792480 /nfs/dbraw/zinc/79/24/80/602792480.db2.gz RGJSDCBSYGNBTP-GPMSIDNRSA-N 0 1 388.512 2.982 20 0 GFADMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178507 602792481 /nfs/dbraw/zinc/79/24/81/602792481.db2.gz RGJSDCBSYGNBTP-GPMSIDNRSA-N 0 1 388.512 2.982 20 0 GFADMN O=C([O-])NCc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)o1 ZINC000832684320 602811244 /nfs/dbraw/zinc/81/12/44/602811244.db2.gz QPBJYZKNQDBMQQ-UHFFFAOYSA-N 0 1 385.464 2.828 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739058350 603030956 /nfs/dbraw/zinc/03/09/56/603030956.db2.gz OEQUGIZWMMXITO-HRCADAONSA-N 0 1 390.484 2.684 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000828382489 603066154 /nfs/dbraw/zinc/06/61/54/603066154.db2.gz GYULEUACJCJGGI-UXHICEINSA-N 0 1 381.476 2.598 20 0 GFADMN O=C([O-])N1CCC[C@@H](C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)C1 ZINC000740512230 603067538 /nfs/dbraw/zinc/06/75/38/603067538.db2.gz OARJDYRDWCYCPM-ZDUSSCGKSA-N 0 1 377.466 2.642 20 0 GFADMN CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000826688753 603091741 /nfs/dbraw/zinc/09/17/41/603091741.db2.gz APNBBZYVDPNNHM-BLLLJJGKSA-N 0 1 381.860 2.613 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739081558 603135919 /nfs/dbraw/zinc/13/59/19/603135919.db2.gz JERCASNLBUCVQW-LZQZEXGQSA-N 0 1 388.512 2.727 20 0 GFADMN O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000740536904 603176042 /nfs/dbraw/zinc/17/60/42/603176042.db2.gz RQRODXCBSOLFHW-UXHICEINSA-N 0 1 381.476 2.646 20 0 GFADMN COc1cc2[nH+]c(NC[C@@H](NC(=O)[O-])c3ccccc3)nc(N)c2cc1OC ZINC000829234519 603201189 /nfs/dbraw/zinc/20/11/89/603201189.db2.gz OIFBUTNDWKWIBL-CQSZACIVSA-N 0 1 383.408 2.650 20 0 GFADMN CN(C[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(=O)[O-] ZINC000828211861 603298287 /nfs/dbraw/zinc/29/82/87/603298287.db2.gz LYEJNNRKNRFKDR-INIZCTEOSA-N 0 1 392.525 2.842 20 0 GFADMN CCN(Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(=O)[O-] ZINC000739444395 603354501 /nfs/dbraw/zinc/35/45/01/603354501.db2.gz XTLBEHPHTMSDED-QGZVFWFLSA-N 0 1 392.500 2.665 20 0 GFADMN O=C([O-])NCc1nc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000740683209 603369416 /nfs/dbraw/zinc/36/94/16/603369416.db2.gz UNHLWLYNYNNSQK-HNNXBMFYSA-N 0 1 389.477 2.980 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178901 603413320 /nfs/dbraw/zinc/41/33/20/603413320.db2.gz SSPQRCHCGHXHSJ-JFGNBEQYSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178901 603413322 /nfs/dbraw/zinc/41/33/22/603413322.db2.gz SSPQRCHCGHXHSJ-JFGNBEQYSA-N 0 1 380.445 2.740 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)NC2CCC(NC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825794746 603483509 /nfs/dbraw/zinc/48/35/09/603483509.db2.gz PLQNFYKDSBNCTO-HJZRJOMTSA-N 0 1 388.512 2.918 20 0 GFADMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826047872 603519786 /nfs/dbraw/zinc/51/97/86/603519786.db2.gz GBXUJGHCTHLBEB-QAPCUYQASA-N 0 1 386.496 2.711 20 0 GFADMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826087292 603538123 /nfs/dbraw/zinc/53/81/23/603538123.db2.gz KZJBCCJPDMMNDU-CRAIPNDOSA-N 0 1 384.480 2.608 20 0 GFADMN CCN(CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)C(=O)[O-] ZINC000827089048 603582955 /nfs/dbraw/zinc/58/29/55/603582955.db2.gz FCAISLUMNVOBJN-INIZCTEOSA-N 0 1 393.871 2.684 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NC2CCN(C(=O)[O-])CC2)[C@@H]1c1cccs1 ZINC000828472361 603732059 /nfs/dbraw/zinc/73/20/59/603732059.db2.gz NVNVEUXIJJLDON-CZUORRHYSA-N 0 1 380.514 2.573 20 0 GFADMN CCN(CC1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1)C(=O)[O-] ZINC000827055200 603747205 /nfs/dbraw/zinc/74/72/05/603747205.db2.gz JOPLXMLUZMDGQK-UHFFFAOYSA-N 0 1 388.512 2.845 20 0 GFADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000823725294 603830062 /nfs/dbraw/zinc/83/00/62/603830062.db2.gz ZXCYTHZBLZQBAZ-NEPJUHHUSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000823725294 603830067 /nfs/dbraw/zinc/83/00/67/603830067.db2.gz ZXCYTHZBLZQBAZ-NEPJUHHUSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000826068416 603949296 /nfs/dbraw/zinc/94/92/96/603949296.db2.gz OUVRYEUYQXJZQX-QEEYODRMSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000826068416 603949299 /nfs/dbraw/zinc/94/92/99/603949299.db2.gz OUVRYEUYQXJZQX-QEEYODRMSA-N 0 1 375.469 2.624 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000831677072 603994617 /nfs/dbraw/zinc/99/46/17/603994617.db2.gz YQHCFPHDBAVQKM-UHFFFAOYSA-N 0 1 388.390 2.599 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000831677081 603997043 /nfs/dbraw/zinc/99/70/43/603997043.db2.gz YYIPWTLKJTZKPG-UHFFFAOYSA-N 0 1 388.390 2.599 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000826248174 607666538 /nfs/dbraw/zinc/66/65/38/607666538.db2.gz YSZVHJMWSLCASC-UHFFFAOYSA-N 0 1 394.454 2.709 20 0 GFADMN CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000827794434 604031032 /nfs/dbraw/zinc/03/10/32/604031032.db2.gz NMNHVJBJKWSNAE-LJQANCHMSA-N 0 1 388.512 2.825 20 0 GFADMN C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826088317 604047722 /nfs/dbraw/zinc/04/77/22/604047722.db2.gz WRGGENFJEWAESE-LRGNLBRXSA-N 0 1 384.476 2.688 20 0 GFADMN C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826088317 604047727 /nfs/dbraw/zinc/04/77/27/604047727.db2.gz WRGGENFJEWAESE-LRGNLBRXSA-N 0 1 384.476 2.688 20 0 GFADMN CCN(CC1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)C(=O)[O-] ZINC000827071028 604066438 /nfs/dbraw/zinc/06/64/38/604066438.db2.gz WCPBYVNVZMMATC-UHFFFAOYSA-N 0 1 376.501 2.540 20 0 GFADMN Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)c1C ZINC000830511977 604107843 /nfs/dbraw/zinc/10/78/43/604107843.db2.gz OLFZGNKBTYEUCN-INIZCTEOSA-N 0 1 377.485 2.769 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830817640 604140040 /nfs/dbraw/zinc/14/00/40/604140040.db2.gz AFKHEOWOPVGUGS-GOEBONIOSA-N 0 1 385.468 2.931 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CNC(=O)[O-])[C@@H]1c1cccs1 ZINC000828473449 604159701 /nfs/dbraw/zinc/15/97/01/604159701.db2.gz VGTTTZVTWDOQOR-IJEWVQPXSA-N 0 1 380.514 2.573 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)C2CC2)cc1 ZINC000829310656 604175505 /nfs/dbraw/zinc/17/55/05/604175505.db2.gz IJOIOQHXAPPZBM-WIBUTAKZSA-N 0 1 389.496 2.631 20 0 GFADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1ncccc1-c1nn[nH]n1 ZINC000825059579 607679688 /nfs/dbraw/zinc/67/96/88/607679688.db2.gz HEORDFHTKGPSRK-HNAYVOBHSA-N 0 1 392.511 2.702 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000830818201 604314756 /nfs/dbraw/zinc/31/47/56/604314756.db2.gz IJNLVQBKYQQLPV-YOEHRIQHSA-N 0 1 385.468 2.608 20 0 GFADMN C[C@](CNC(=O)[O-])(NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC1 ZINC000824945106 604325944 /nfs/dbraw/zinc/32/59/44/604325944.db2.gz HKOOFGJPKBUMHE-LJQANCHMSA-N 0 1 392.525 2.793 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000832338553 604357371 /nfs/dbraw/zinc/35/73/71/604357371.db2.gz IOBGGTGFKTYUMD-WCIQWLHISA-N 0 1 385.508 2.936 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000831919355 604367630 /nfs/dbraw/zinc/36/76/30/604367630.db2.gz WBRIOWPONVPTKA-AEFFLSMTSA-N 0 1 386.448 2.674 20 0 GFADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090153 604384138 /nfs/dbraw/zinc/38/41/38/604384138.db2.gz QEVHKLDMIFACEX-VQTJNVASSA-N 0 1 396.487 2.856 20 0 GFADMN CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826090153 604384142 /nfs/dbraw/zinc/38/41/42/604384142.db2.gz QEVHKLDMIFACEX-VQTJNVASSA-N 0 1 396.487 2.856 20 0 GFADMN O=C([O-])NC1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000832161244 604428801 /nfs/dbraw/zinc/42/88/01/604428801.db2.gz CCZHXPVETXPGBK-INIZCTEOSA-N 0 1 385.489 2.764 20 0 GFADMN O=C([O-])NC1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000832161244 604428802 /nfs/dbraw/zinc/42/88/02/604428802.db2.gz CCZHXPVETXPGBK-INIZCTEOSA-N 0 1 385.489 2.764 20 0 GFADMN COc1cc(OC)cc([C@H]([NH2+]CC2CCN(C(=O)[O-])CC2)c2nccn2C)c1 ZINC000829211465 604499029 /nfs/dbraw/zinc/49/90/29/604499029.db2.gz SYOMCFMBIAQVQB-SFHVURJKSA-N 0 1 388.468 2.506 20 0 GFADMN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1)C(=O)[O-] ZINC000833544510 604523412 /nfs/dbraw/zinc/52/34/12/604523412.db2.gz ZBWFHXCJYZXZKN-WBVHZDCISA-N 0 1 380.448 2.961 20 0 GFADMN CN(Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000828375713 604551415 /nfs/dbraw/zinc/55/14/15/604551415.db2.gz QLWKXWDHXMMQTK-QZTJIDSGSA-N 0 1 390.484 2.561 20 0 GFADMN O=C([O-])c1cccc(NC2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000833330147 604573468 /nfs/dbraw/zinc/57/34/68/604573468.db2.gz NDYOZEDNWOXXGJ-MOPGFXCFSA-N 0 1 386.496 2.598 20 0 GFADMN Cc1[nH+]ccn1CCCNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833011414 604576440 /nfs/dbraw/zinc/57/64/40/604576440.db2.gz VSSFOIGULLKVEJ-UHFFFAOYSA-N 0 1 385.468 2.566 20 0 GFADMN CS(=O)(=O)Nc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000833737223 604591232 /nfs/dbraw/zinc/59/12/32/604591232.db2.gz FQYPEZAJEJOXHS-UHFFFAOYSA-N 0 1 382.869 2.798 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1 ZINC000825902503 604605558 /nfs/dbraw/zinc/60/55/58/604605558.db2.gz ZBEJUYFTEAIXQU-CRAIPNDOSA-N 0 1 380.533 2.719 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833698227 604706712 /nfs/dbraw/zinc/70/67/12/604706712.db2.gz LHXMGOABCJMSJI-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833698227 604706715 /nfs/dbraw/zinc/70/67/15/604706715.db2.gz LHXMGOABCJMSJI-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833698473 604706849 /nfs/dbraw/zinc/70/68/49/604706849.db2.gz OPQRKTYHGZRXHO-RDJZCZTQSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833698473 604706850 /nfs/dbraw/zinc/70/68/50/604706850.db2.gz OPQRKTYHGZRXHO-RDJZCZTQSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000833698256 604708936 /nfs/dbraw/zinc/70/89/36/604708936.db2.gz LVBHIQJPNGJPPJ-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000833698256 604708938 /nfs/dbraw/zinc/70/89/38/604708938.db2.gz LVBHIQJPNGJPPJ-NVXWUHKLSA-N 0 1 394.880 2.762 20 0 GFADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CCc3ccccc3C(=O)[O-])c2)CCO1 ZINC000833630832 604721247 /nfs/dbraw/zinc/72/12/47/604721247.db2.gz WZRQJRDLKHWHCH-KRWDZBQOSA-N 0 1 396.487 2.855 20 0 GFADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CCc3ccccc3C(=O)[O-])c2)CCO1 ZINC000833630832 604721250 /nfs/dbraw/zinc/72/12/50/604721250.db2.gz WZRQJRDLKHWHCH-KRWDZBQOSA-N 0 1 396.487 2.855 20 0 GFADMN O=C([O-])c1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000833161295 604741867 /nfs/dbraw/zinc/74/18/67/604741867.db2.gz GWJWCRUQCPUFIK-QGZVFWFLSA-N 0 1 391.431 2.676 20 0 GFADMN CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000830434185 604758821 /nfs/dbraw/zinc/75/88/21/604758821.db2.gz BVXWJEJQSHMTKF-AWEZNQCLSA-N 0 1 385.468 2.511 20 0 GFADMN CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000829074462 604771337 /nfs/dbraw/zinc/77/13/37/604771337.db2.gz FXENQWIXTDQENO-CMPLNLGQSA-N 0 1 382.482 2.990 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)CN3CC[N@@H+](C)[C@@H](C)[C@H]3C)c2C(=O)[O-])C1 ZINC000833616851 604854731 /nfs/dbraw/zinc/85/47/31/604854731.db2.gz IPVYMMMILVNRFJ-FRRDWIJNSA-N 0 1 379.526 2.534 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000833416645 604856726 /nfs/dbraw/zinc/85/67/26/604856726.db2.gz CDCOUSHNPGBJFY-NHYWBVRUSA-N 0 1 396.846 2.934 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000833416797 604931886 /nfs/dbraw/zinc/93/18/86/604931886.db2.gz FDIFNBMJOYZBIJ-CYBMUJFWSA-N 0 1 390.402 2.993 20 0 GFADMN CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000829139958 604958731 /nfs/dbraw/zinc/95/87/31/604958731.db2.gz BHILIVYATUWTJY-CRAIPNDOSA-N 0 1 389.496 2.623 20 0 GFADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](SC)C2)cc(C(=O)[O-])c1 ZINC000833713179 604965742 /nfs/dbraw/zinc/96/57/42/604965742.db2.gz OGQKLRLKDSIWSS-LRDDRELGSA-N 0 1 394.493 2.716 20 0 GFADMN CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833489938 605003751 /nfs/dbraw/zinc/00/37/51/605003751.db2.gz XSWKSEQXPZKJRK-CYBMUJFWSA-N 0 1 388.917 2.685 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833596577 605142228 /nfs/dbraw/zinc/14/22/28/605142228.db2.gz NPVXAPVTJFYEBQ-KGLIPLIRSA-N 0 1 388.468 2.927 20 0 GFADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC000833616994 605142423 /nfs/dbraw/zinc/14/24/23/605142423.db2.gz LRIHCOYFSSOXIG-PJIJBLCYSA-N 0 1 377.460 2.640 20 0 GFADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000833622555 605156157 /nfs/dbraw/zinc/15/61/57/605156157.db2.gz BTSUMUGOOFZIII-CQSZACIVSA-N 0 1 390.411 2.619 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000833622555 605156160 /nfs/dbraw/zinc/15/61/60/605156160.db2.gz BTSUMUGOOFZIII-CQSZACIVSA-N 0 1 390.411 2.619 20 0 GFADMN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833545801 605156886 /nfs/dbraw/zinc/15/68/86/605156886.db2.gz VWRVBIDRFUECTC-CHWSQXEVSA-N 0 1 393.534 2.784 20 0 GFADMN C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC000833545801 605156890 /nfs/dbraw/zinc/15/68/90/605156890.db2.gz VWRVBIDRFUECTC-CHWSQXEVSA-N 0 1 393.534 2.784 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000833626950 605162519 /nfs/dbraw/zinc/16/25/19/605162519.db2.gz SXSWPGDCDUEWJP-INIZCTEOSA-N 0 1 395.459 2.560 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000833628585 605196164 /nfs/dbraw/zinc/19/61/64/605196164.db2.gz LHFLQNHBGYJXIP-LBPRGKRZSA-N 0 1 388.295 2.803 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000833597136 605217990 /nfs/dbraw/zinc/21/79/90/605217990.db2.gz QEMPQOSHCYDOHZ-HUUCEWRRSA-N 0 1 378.469 2.999 20 0 GFADMN O=C([O-])CCC[NH+]1CCC(NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000833773092 605222709 /nfs/dbraw/zinc/22/27/09/605222709.db2.gz IGXGUMLIPIPDFJ-INIZCTEOSA-N 0 1 375.296 2.946 20 0 GFADMN O=C([O-])CCCN1CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000833773092 605222710 /nfs/dbraw/zinc/22/27/10/605222710.db2.gz IGXGUMLIPIPDFJ-INIZCTEOSA-N 0 1 375.296 2.946 20 0 GFADMN O=C([O-])CCCN1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000833774155 605229367 /nfs/dbraw/zinc/22/93/67/605229367.db2.gz YRSNBVSSXHTPAV-HNNXBMFYSA-N 0 1 383.895 2.977 20 0 GFADMN CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833503673 605267058 /nfs/dbraw/zinc/26/70/58/605267058.db2.gz HSIVDPVTVCFYSL-SJLPKXTDSA-N 0 1 391.512 2.830 20 0 GFADMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000833623105 605267644 /nfs/dbraw/zinc/26/76/44/605267644.db2.gz OQBIYKFARGAKJE-ZTFGCOKTSA-N 0 1 399.457 2.789 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000833848014 605352646 /nfs/dbraw/zinc/35/26/46/605352646.db2.gz KYYFOXSVHIFWOI-KBAYOESNSA-N 0 1 377.460 2.685 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[C@H]1NC(=O)[O-] ZINC000833848014 605352651 /nfs/dbraw/zinc/35/26/51/605352651.db2.gz KYYFOXSVHIFWOI-KBAYOESNSA-N 0 1 377.460 2.685 20 0 GFADMN CN(C)C(=O)COc1cccc(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833688272 605359177 /nfs/dbraw/zinc/35/91/77/605359177.db2.gz NSYBPUCMSCXJGP-SFHVURJKSA-N 0 1 394.830 2.862 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000825818544 605371493 /nfs/dbraw/zinc/37/14/93/605371493.db2.gz ZNISAPJJKXFJFH-XJKCOSOUSA-N 0 1 382.892 2.773 20 0 GFADMN COC(=O)C1=C(C)O[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833702536 605380454 /nfs/dbraw/zinc/38/04/54/605380454.db2.gz ZKEUSXVBGOBNIH-ZFWWWQNUSA-N 0 1 398.253 2.743 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)C[C@H]21 ZINC000834178355 605447608 /nfs/dbraw/zinc/44/76/08/605447608.db2.gz FKNUQPRVLMEIII-CYZMBNFOSA-N 0 1 388.493 2.754 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)C[C@H]21 ZINC000834178355 605447609 /nfs/dbraw/zinc/44/76/09/605447609.db2.gz FKNUQPRVLMEIII-CYZMBNFOSA-N 0 1 388.493 2.754 20 0 GFADMN CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)[O-])CC1 ZINC000826871922 605559476 /nfs/dbraw/zinc/55/94/76/605559476.db2.gz QXSVCPSFUQDZPM-GOSISDBHSA-N 0 1 388.512 2.825 20 0 GFADMN Cc1[nH+]ccn1CCNC(=O)N[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833918235 605649079 /nfs/dbraw/zinc/64/90/79/605649079.db2.gz QVONLLPEMUJNDO-GOSISDBHSA-N 0 1 381.436 2.653 20 0 GFADMN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)o1 ZINC000827583534 605757289 /nfs/dbraw/zinc/75/72/89/605757289.db2.gz KKTVTXROGJGJSN-WMLDXEAASA-N 0 1 377.485 2.874 20 0 GFADMN O=C([O-])NC1CC[NH+](CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC000832381076 605775875 /nfs/dbraw/zinc/77/58/75/605775875.db2.gz AENYCNIFICXKNH-UHFFFAOYSA-N 0 1 386.279 2.610 20 0 GFADMN C[C@@H]1CCC[C@@H]([N@@H+](CC(=O)NCCC(=O)[O-])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000833607625 605779782 /nfs/dbraw/zinc/77/97/82/605779782.db2.gz HNJSLUPCXRRCCL-HLLBOEOZSA-N 0 1 390.480 2.633 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000834094720 605893951 /nfs/dbraw/zinc/89/39/51/605893951.db2.gz VGPLGYFEHCRDIU-MRXNPFEDSA-N 0 1 377.872 2.911 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000834094720 605893955 /nfs/dbraw/zinc/89/39/55/605893955.db2.gz VGPLGYFEHCRDIU-MRXNPFEDSA-N 0 1 377.872 2.911 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000833833412 605896857 /nfs/dbraw/zinc/89/68/57/605896857.db2.gz XODKIAQVZLHZQF-NQBHXWOUSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833614753 605903212 /nfs/dbraw/zinc/90/32/12/605903212.db2.gz UCAUMLWOMUANGU-GFCCVEGCSA-N 0 1 395.887 2.603 20 0 GFADMN C[C@H](NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000833521756 605906221 /nfs/dbraw/zinc/90/62/21/605906221.db2.gz RYTMXIVUJAPGNL-JTQLQIEISA-N 0 1 382.258 2.919 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822540746 606031230 /nfs/dbraw/zinc/03/12/30/606031230.db2.gz FWOAQUCWBOLSTO-UHFFFAOYSA-N 0 1 399.499 2.798 20 0 GFADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000822540746 606031233 /nfs/dbraw/zinc/03/12/33/606031233.db2.gz FWOAQUCWBOLSTO-UHFFFAOYSA-N 0 1 399.499 2.798 20 0 GFADMN C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000820643274 606112556 /nfs/dbraw/zinc/11/25/56/606112556.db2.gz SUXNGXMMWRNMAT-HIFRSBDPSA-N 0 1 382.493 2.820 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821970179 606129773 /nfs/dbraw/zinc/12/97/73/606129773.db2.gz KIZRVUVQLYOODZ-MNOVXSKESA-N 0 1 384.465 2.611 20 0 GFADMN C[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[C@H]2CCCC[C@@H]12 ZINC000820723126 606189264 /nfs/dbraw/zinc/18/92/64/606189264.db2.gz WMDSXKZQZLYQKY-JLSDUUJJSA-N 0 1 389.525 2.541 20 0 GFADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000821652023 606336219 /nfs/dbraw/zinc/33/62/19/606336219.db2.gz KVTGLXLQZKRYKN-KYNGSXCRSA-N 0 1 377.448 2.959 20 0 GFADMN C[C@H](OC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820488831 606340481 /nfs/dbraw/zinc/34/04/81/606340481.db2.gz VBKKQZBRCRWHPU-HNNXBMFYSA-N 0 1 385.468 2.506 20 0 GFADMN COc1cccc([C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCCC2)c1 ZINC000821859100 606406376 /nfs/dbraw/zinc/40/63/76/606406376.db2.gz LCNNHHWMCAGWRS-KRWDZBQOSA-N 0 1 384.509 2.864 20 0 GFADMN COc1cccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCCC2)c1 ZINC000821859100 606406377 /nfs/dbraw/zinc/40/63/77/606406377.db2.gz LCNNHHWMCAGWRS-KRWDZBQOSA-N 0 1 384.509 2.864 20 0 GFADMN CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819928829 606416064 /nfs/dbraw/zinc/41/60/64/606416064.db2.gz YLCHJYDDECPDEJ-UHFFFAOYSA-N 0 1 378.502 2.807 20 0 GFADMN CC(C)(C)OC(=O)N(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819928829 606416066 /nfs/dbraw/zinc/41/60/66/606416066.db2.gz YLCHJYDDECPDEJ-UHFFFAOYSA-N 0 1 378.502 2.807 20 0 GFADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cs2)CCN1Cc1ccccc1 ZINC000820717787 606544023 /nfs/dbraw/zinc/54/40/23/606544023.db2.gz WFEIPKQRHRGIOX-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN C[C@H]1CC/C(=C\C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820678219 606617016 /nfs/dbraw/zinc/61/70/16/606617016.db2.gz TZFYIEDMQHHEDV-KXGFGANYSA-N 0 1 380.496 2.647 20 0 GFADMN C[C@H](N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418568 606624431 /nfs/dbraw/zinc/62/44/31/606624431.db2.gz BJEWTHXXUMJIRH-YVEFUNNKSA-N 0 1 382.855 2.976 20 0 GFADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823149838 606669766 /nfs/dbraw/zinc/66/97/66/606669766.db2.gz HVSZNTSBQJSCAR-OAHLLOKOSA-N 0 1 398.417 2.539 20 0 GFADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000819928462 606753355 /nfs/dbraw/zinc/75/33/55/606753355.db2.gz QAXCASIUNASRDZ-ZDUSSCGKSA-N 0 1 375.448 2.950 20 0 GFADMN CCC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCC1 ZINC000820944784 606775264 /nfs/dbraw/zinc/77/52/64/606775264.db2.gz OCQCRNWYOSPKQP-UHFFFAOYSA-N 0 1 382.512 2.871 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000820804720 606779076 /nfs/dbraw/zinc/77/90/76/606779076.db2.gz YBQSRJLUKVJIOS-OAHLLOKOSA-N 0 1 392.511 2.665 20 0 GFADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000820804720 606779077 /nfs/dbraw/zinc/77/90/77/606779077.db2.gz YBQSRJLUKVJIOS-OAHLLOKOSA-N 0 1 392.511 2.665 20 0 GFADMN Cc1cc(CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cc3C)cc2)n[nH]1 ZINC000822200988 606793369 /nfs/dbraw/zinc/79/33/69/606793369.db2.gz LYIURVQFBWHUTI-UHFFFAOYSA-N 0 1 389.419 2.929 20 0 GFADMN Cc1ccc(C(=O)C2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822225053 606856063 /nfs/dbraw/zinc/85/60/63/606856063.db2.gz MDTMWLLVDYSUIM-HXUWFJFHSA-N 0 1 391.475 2.803 20 0 GFADMN Cc1ccccc1C(=O)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822345765 606964299 /nfs/dbraw/zinc/96/42/99/606964299.db2.gz QXYQHUJCASNHAZ-UHFFFAOYSA-N 0 1 394.454 2.709 20 0 GFADMN CC(C)c1cnc(CN(C)[C@H]2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)o1 ZINC000820197476 606976217 /nfs/dbraw/zinc/97/62/17/606976217.db2.gz JUNXBHDJBZMFAE-HNNXBMFYSA-N 0 1 399.474 2.824 20 0 GFADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000820413420 607013820 /nfs/dbraw/zinc/01/38/20/607013820.db2.gz PSVLUWYGHUXUPB-NWDGAFQWSA-N 0 1 389.456 2.821 20 0 GFADMN C[C@@H]1CC[C@@H](CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000820683768 607022976 /nfs/dbraw/zinc/02/29/76/607022976.db2.gz HCFBGXXWHKHUBR-SJLPKXTDSA-N 0 1 382.512 2.727 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@H]32)cc1 ZINC000823780980 607032934 /nfs/dbraw/zinc/03/29/34/607032934.db2.gz XZQOIKUQSXKOSB-IEBWSBKVSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@H]32)cc1 ZINC000823780980 607032935 /nfs/dbraw/zinc/03/29/35/607032935.db2.gz XZQOIKUQSXKOSB-IEBWSBKVSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@H]32)cc1 ZINC000823780980 607032936 /nfs/dbraw/zinc/03/29/36/607032936.db2.gz XZQOIKUQSXKOSB-IEBWSBKVSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@H]32)cc1 ZINC000823780980 607032937 /nfs/dbraw/zinc/03/29/37/607032937.db2.gz XZQOIKUQSXKOSB-IEBWSBKVSA-N 0 1 375.480 2.753 20 0 GFADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000820958112 607105892 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GFADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000292481176 563788221 /nfs/dbraw/zinc/78/82/21/563788221.db2.gz SDGXNXPEBZDMLH-UGSOOPFHSA-N 0 1 381.519 2.823 20 0 GFADMN CCCCOc1cccc(CNS(=O)(=O)c2csnc2C(=O)OC)c1 ZINC000443103222 563792081 /nfs/dbraw/zinc/79/20/81/563792081.db2.gz QWVIMKHXMHHLKR-UHFFFAOYSA-N 0 1 384.479 2.587 20 0 GFADMN CC[C@@H](NS(=O)(=O)c1csnc1C(=O)OC)c1cc(F)ccc1F ZINC000443241824 563797150 /nfs/dbraw/zinc/79/71/50/563797150.db2.gz AXQWTFZQLJKTPA-LLVKDONJSA-N 0 1 376.406 2.638 20 0 GFADMN CC1(C)CN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CCN1 ZINC000415815559 563798505 /nfs/dbraw/zinc/79/85/05/563798505.db2.gz LMZVAWVIBRJPOA-UHFFFAOYSA-N 0 1 378.885 2.612 20 0 GFADMN Cc1nnc([C@H]2CC23CCN(Cc2c(Br)c(C)nn2C)CC3)o1 ZINC000366174623 563800731 /nfs/dbraw/zinc/80/07/31/563800731.db2.gz ZJRLMWRPHQPZKC-GFCCVEGCSA-N 0 1 380.290 2.952 20 0 GFADMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@]2(CCOC2)O1 ZINC000366526172 563811898 /nfs/dbraw/zinc/81/18/98/563811898.db2.gz 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395.301 2.619 20 0 GFADMN CC[C@H](CNC(=O)c1c(Br)cnn1C)N1CCc2ccccc2C1 ZINC000449511527 564189324 /nfs/dbraw/zinc/18/93/24/564189324.db2.gz NNUZOQJLAOLSTO-OAHLLOKOSA-N 0 1 391.313 2.749 20 0 GFADMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000563469020 564192334 /nfs/dbraw/zinc/19/23/34/564192334.db2.gz PLIVPHDVBIJKTH-QMMMGPOBSA-N 0 1 389.237 2.696 20 0 GFADMN O=C(CN1CCC(n2cc(Cl)cn2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000506056956 564196561 /nfs/dbraw/zinc/19/65/61/564196561.db2.gz QNXHZMJMOWPOSO-GFCCVEGCSA-N 0 1 378.826 2.974 20 0 GFADMN COc1ccc([C@H](C[N-]S(=O)(=O)CC(F)(F)F)[NH+]2CCCCC2)cc1 ZINC000538678112 564197297 /nfs/dbraw/zinc/19/72/97/564197297.db2.gz NNVVEDJWBMXSSD-HNNXBMFYSA-N 0 1 380.432 2.704 20 0 GFADMN COc1ccc([C@@H](C[N-]S(=O)(=O)CC(F)(F)F)[NH+]2CCCCC2)cc1 ZINC000538678114 564197324 /nfs/dbraw/zinc/19/73/24/564197324.db2.gz NNVVEDJWBMXSSD-OAHLLOKOSA-N 0 1 380.432 2.704 20 0 GFADMN O=C1CC[C@@H](N2CCN(Cc3cnc(-c4ccsc4)s3)CC2)CCN1 ZINC000449704347 564198211 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ZINC000614511604 565115826 /nfs/dbraw/zinc/11/58/26/565115826.db2.gz KXRRIYOYSVJEIW-AWEZNQCLSA-N 0 1 394.338 2.784 20 0 GFADMN O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000685653525 565118577 /nfs/dbraw/zinc/11/85/77/565118577.db2.gz KCVZSMCKFCIGJJ-NSHDSACASA-N 0 1 376.254 2.623 20 0 GFADMN O=C(c1c([O-])cnc2c(Br)cccc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000685653525 565118583 /nfs/dbraw/zinc/11/85/83/565118583.db2.gz KCVZSMCKFCIGJJ-NSHDSACASA-N 0 1 376.254 2.623 20 0 GFADMN C[C@H](Cn1cncn1)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000636689320 565120456 /nfs/dbraw/zinc/12/04/56/565120456.db2.gz WAUAVNKNOZOTPM-ABAIWWIYSA-N 0 1 385.299 2.576 20 0 GFADMN Cc1cn[nH]c1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000685833103 565125042 /nfs/dbraw/zinc/12/50/42/565125042.db2.gz WSBFMJYWKCQSSC-UHFFFAOYSA-N 0 1 389.308 2.531 20 0 GFADMN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCN(CCO)C(C)(C)C1 ZINC000614920122 565139479 /nfs/dbraw/zinc/13/94/79/565139479.db2.gz DWBJYVVMEQGVJG-HNNXBMFYSA-N 0 1 375.296 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CNS(=O)(=O)c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000659830239 565224905 /nfs/dbraw/zinc/22/49/05/565224905.db2.gz FWZOHBRZVIDBIA-INIZCTEOSA-N 0 1 380.535 2.837 20 0 GFADMN CC(C)(CO)[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000639111403 565226075 /nfs/dbraw/zinc/22/60/75/565226075.db2.gz WPCKKHRCVUGXRN-QGZVFWFLSA-N 0 1 382.913 2.837 20 0 GFADMN OC[C@@]1(NCc2cnn3cc(Br)cnc23)CCCc2ccccc21 ZINC000639137370 565229056 /nfs/dbraw/zinc/22/90/56/565229056.db2.gz XPYOKNWGYQWQKD-SFHVURJKSA-N 0 1 387.281 2.806 20 0 GFADMN COCCc1ncc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)s1 ZINC000639157528 565230788 /nfs/dbraw/zinc/23/07/88/565230788.db2.gz PBDFHPRWLFKNFG-LBPRGKRZSA-N 0 1 379.448 2.613 20 0 GFADMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)[C@H]1c1cccs1 ZINC000659914171 565231319 /nfs/dbraw/zinc/23/13/19/565231319.db2.gz IINUUZMHVBADTL-SJCJKPOMSA-N 0 1 383.514 2.831 20 0 GFADMN CN(CCn1cc(Br)cn1)Cc1ccccc1OCCCCO ZINC000639191059 565232157 /nfs/dbraw/zinc/23/21/57/565232157.db2.gz 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Cc1[nH]ncc1CNC(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000640232930 565288597 /nfs/dbraw/zinc/28/85/97/565288597.db2.gz BJFFSNINLFBTJP-UHFFFAOYSA-N 0 1 394.273 2.639 20 0 GFADMN O=C([C@H]1CCc2[nH]cnc2C1)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000618366387 565295785 /nfs/dbraw/zinc/29/57/85/565295785.db2.gz LZNFWHQEQIGEGO-GUYCJALGSA-N 0 1 390.281 2.877 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660853957 565297008 /nfs/dbraw/zinc/29/70/08/565297008.db2.gz KWEBGCIFGNHJQA-YOEHRIQHSA-N 0 1 395.345 2.541 20 0 GFADMN Cc1csc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)n1 ZINC000592831464 565299728 /nfs/dbraw/zinc/29/97/28/565299728.db2.gz IBHVYDXINHNCAG-UHFFFAOYSA-N 0 1 382.283 2.882 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCCN(c2nccs2)CC1 ZINC000592851207 565301339 /nfs/dbraw/zinc/30/13/39/565301339.db2.gz SZKZNDCYRREADQ-UHFFFAOYSA-N 0 1 382.283 2.964 20 0 GFADMN O[C@H](COC[C@@H]1CCCO1)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618466598 565301814 /nfs/dbraw/zinc/30/18/14/565301814.db2.gz 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CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000736787049 598916930 /nfs/dbraw/zinc/91/69/30/598916930.db2.gz DZJQTKABRHNGLC-INIZCTEOSA-N 0 1 396.882 2.948 20 0 GFADMN C[C@@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cccc(Cl)c1 ZINC000736134870 598959572 /nfs/dbraw/zinc/95/95/72/598959572.db2.gz VZQXMRIWSFOLIE-PXAZEXFGSA-N 0 1 382.855 2.976 20 0 GFADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(Br)cc1O ZINC000738167822 598965684 /nfs/dbraw/zinc/96/56/84/598965684.db2.gz VXIJFDVGOQMTLH-UHFFFAOYSA-N 0 1 378.161 2.726 20 0 GFADMN Cc1cc2cccnc2c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000822212035 607256173 /nfs/dbraw/zinc/25/61/73/607256173.db2.gz ZPJBFPVBJBVHLU-UHFFFAOYSA-N 0 1 380.433 2.833 20 0 GFADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000737631064 599037869 /nfs/dbraw/zinc/03/78/69/599037869.db2.gz CYXNFSWTLVLUGU-UHFFFAOYSA-N 0 1 389.385 2.603 20 0 GFADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(CCc2ccccc2)CC1 ZINC000737745393 599069195 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C[C@@H]1C[N@@H+](C(C)(C)CNc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C)O1 ZINC000736293271 599264771 /nfs/dbraw/zinc/26/47/71/599264771.db2.gz SODONJIEUPEQJJ-OKILXGFUSA-N 0 1 381.484 2.715 20 0 GFADMN C[C@@H]1CCN(CC(=O)Nc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736275146 598254678 /nfs/dbraw/zinc/25/46/78/598254678.db2.gz HMWVNXVJABPEAO-OAHLLOKOSA-N 0 1 392.463 2.726 20 0 GFADMN C[C@@H]1CN(CCCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000736284896 598274568 /nfs/dbraw/zinc/27/45/68/598274568.db2.gz HLWMKLUVGUQOLL-TXEJJXNPSA-N 0 1 384.406 2.797 20 0 GFADMN Cc1cccc(C)c1OCCN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737387973 598293284 /nfs/dbraw/zinc/29/32/84/598293284.db2.gz CMQHCXWZMWZXGE-UHFFFAOYSA-N 0 1 378.480 2.685 20 0 GFADMN C[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCN1c1nc2ccccc2o1 ZINC000736291736 598364614 /nfs/dbraw/zinc/36/46/14/598364614.db2.gz YQMSEJUBRBYADP-AWEZNQCLSA-N 0 1 375.436 2.719 20 0 GFADMN Cc1csc(N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC000737453540 598365058 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O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878401 598708453 /nfs/dbraw/zinc/70/84/53/598708453.db2.gz ZIJZXJWWWKPCTM-QGZVFWFLSA-N 0 1 396.882 2.626 20 0 GFADMN COC(=O)c1cccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000736948795 598721179 /nfs/dbraw/zinc/72/11/79/598721179.db2.gz PRRVNLYOVQMFQD-UHFFFAOYSA-N 0 1 395.806 2.670 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(C[C@@H]2CCCCO2)c2ccc(Br)cc12 ZINC000738371989 598723773 /nfs/dbraw/zinc/72/37/73/598723773.db2.gz MIGBHJJJYIVWGQ-NSHDSACASA-N 0 1 390.241 2.513 20 0 GFADMN c1ccc2nc(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)ccc2c1 ZINC000738443783 598745666 /nfs/dbraw/zinc/74/56/66/598745666.db2.gz ZSONBYLOEVTQBP-UHFFFAOYSA-N 0 1 388.435 2.607 20 0 GFADMN COc1cc(F)ccc1N1CCN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737054741 599322367 /nfs/dbraw/zinc/32/23/67/599322367.db2.gz UZOYBWNJOUAJJY-CQSZACIVSA-N 0 1 382.443 2.898 20 0 GFADMN Clc1ccc(-c2nn[nH]n2)c(NCCN2CCN(c3ccccc3)CC2)c1 ZINC000737570089 599405028 /nfs/dbraw/zinc/40/50/28/599405028.db2.gz ARDWEONHLFEEFD-UHFFFAOYSA-N 0 1 383.887 2.754 20 0 GFADMN C[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820375006 599442375 /nfs/dbraw/zinc/44/23/75/599442375.db2.gz VUXZNVKZALZIKD-CYBMUJFWSA-N 0 1 397.458 2.628 20 0 GFADMN C[C@@H]1c2c(F)cccc2CCN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820818757 599639063 /nfs/dbraw/zinc/63/90/63/599639063.db2.gz BDGFPYMJOASWPS-CYBMUJFWSA-N 0 1 380.427 2.954 20 0 GFADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C2CCC2)c1-c1nn[nH]n1 ZINC000822015121 599690546 /nfs/dbraw/zinc/69/05/46/599690546.db2.gz CXNAZWUIEIJDCI-UHFFFAOYSA-N 0 1 379.468 2.697 20 0 GFADMN COc1cc(C[N@@H+](C)CCCN2C(=O)CS/C2=C\C(=O)[O-])ccc1SC ZINC000737880273 599714586 /nfs/dbraw/zinc/71/45/86/599714586.db2.gz CJABHNKNDBZDBG-YVLHZVERSA-N 0 1 396.534 2.740 20 0 GFADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736811472 599716027 /nfs/dbraw/zinc/71/60/27/599716027.db2.gz ZBQSHYVIEJSXOG-VXGBXAGGSA-N 0 1 382.436 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COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCc3c(C)cccc3C2)cc(C(=O)[O-])c1 ZINC000737661335 599794429 /nfs/dbraw/zinc/79/44/29/599794429.db2.gz RSVPPGYOFAELKG-CQSZACIVSA-N 0 1 396.443 2.865 20 0 GFADMN CC1(C)CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000736735320 599796783 /nfs/dbraw/zinc/79/67/83/599796783.db2.gz GWKAZEBGCZFPIK-FQEVSTJZSA-N 0 1 398.503 2.721 20 0 GFADMN CC1(C)C[N@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000736735320 599796784 /nfs/dbraw/zinc/79/67/84/599796784.db2.gz GWKAZEBGCZFPIK-FQEVSTJZSA-N 0 1 398.503 2.721 20 0 GFADMN CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000736735320 599796785 /nfs/dbraw/zinc/79/67/85/599796785.db2.gz GWKAZEBGCZFPIK-FQEVSTJZSA-N 0 1 398.503 2.721 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000737866585 599815065 /nfs/dbraw/zinc/81/50/65/599815065.db2.gz NBBJKKCZOXHMKC-WMZOPIPTSA-N 0 1 389.423 2.762 20 0 GFADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCSCC(=O)[O-])cc2)C1 ZINC000736757243 599900980 /nfs/dbraw/zinc/90/09/80/599900980.db2.gz ZQKXDAURGYAWPC-IYBDPMFKSA-N 0 1 393.553 2.782 20 0 GFADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)C1 ZINC000739154348 599912447 /nfs/dbraw/zinc/91/24/47/599912447.db2.gz QYVLUIDLNWIVSZ-MRXNPFEDSA-N 0 1 396.447 2.726 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000739428144 599943243 /nfs/dbraw/zinc/94/32/43/599943243.db2.gz BOEUHLAAKJOXFW-LJQANCHMSA-N 0 1 397.475 2.727 20 0 GFADMN C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000521881073 599959123 /nfs/dbraw/zinc/95/91/23/599959123.db2.gz PKAJTTRRWFITLP-HNNXBMFYSA-N 0 1 398.488 2.710 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000736454042 599963558 /nfs/dbraw/zinc/96/35/58/599963558.db2.gz CMUDMKXERKLVGP-UHFFFAOYSA-N 0 1 393.553 2.926 20 0 GFADMN C[C@H](O)C[N@@H+](C)C1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736675130 599964912 /nfs/dbraw/zinc/96/49/12/599964912.db2.gz BRPDJDVHXODNLG-AWEZNQCLSA-N 0 1 389.521 2.785 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)nc(C)[nH+]1 ZINC000738407403 599978828 /nfs/dbraw/zinc/97/88/28/599978828.db2.gz GDPARHIAWOQDHJ-INIZCTEOSA-N 0 1 383.452 2.891 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(N(C)C(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738230466 599981593 /nfs/dbraw/zinc/98/15/93/599981593.db2.gz LYCDBYQFCDREBJ-MRXNPFEDSA-N 0 1 398.467 2.998 20 0 GFADMN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000737987003 600046513 /nfs/dbraw/zinc/04/65/13/600046513.db2.gz PGLLWSYWTFLQNQ-SFTDATJTSA-N 0 1 394.471 2.870 20 0 GFADMN Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736485 600094951 /nfs/dbraw/zinc/09/49/51/600094951.db2.gz NOWTXBIBQUWDHF-SJLPKXTDSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738736485 600094953 /nfs/dbraw/zinc/09/49/53/600094953.db2.gz NOWTXBIBQUWDHF-SJLPKXTDSA-N 0 1 396.491 2.527 20 0 GFADMN CC[C@]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)(C(=O)[O-])c1ccccc1 ZINC000736920185 600130522 /nfs/dbraw/zinc/13/05/22/600130522.db2.gz JJLNSEUZUHPODD-OAQYLSRUSA-N 0 1 397.431 2.832 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000737911540 600137435 /nfs/dbraw/zinc/13/74/35/600137435.db2.gz KETMLMKHCAKRRP-CYBMUJFWSA-N 0 1 375.450 2.554 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000737911540 600137437 /nfs/dbraw/zinc/13/74/37/600137437.db2.gz KETMLMKHCAKRRP-CYBMUJFWSA-N 0 1 375.450 2.554 20 0 GFADMN Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C(=O)[O-])cc1 ZINC000738553760 600161033 /nfs/dbraw/zinc/16/10/33/600161033.db2.gz HAPRGQRIBFHCGN-PMACEKPBSA-N 0 1 381.476 2.587 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736808837 600175119 /nfs/dbraw/zinc/17/51/19/600175119.db2.gz JSVLLSNLBFPJLB-CKEIUWERSA-N 0 1 376.457 2.882 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000737167658 600183301 /nfs/dbraw/zinc/18/33/01/600183301.db2.gz ONYMRVZTDAHUIR-YJBOKZPZSA-N 0 1 377.485 2.952 20 0 GFADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](CCC(=O)[O-])C(C)C)c1 ZINC000738047240 600222086 /nfs/dbraw/zinc/22/20/86/600222086.db2.gz BMKMDQMFIVAALR-QGZVFWFLSA-N 0 1 378.469 2.552 20 0 GFADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736944872 600278348 /nfs/dbraw/zinc/27/83/48/600278348.db2.gz VCZAQDHTAKFECN-QGZVFWFLSA-N 0 1 385.468 2.518 20 0 GFADMN CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736944872 600278351 /nfs/dbraw/zinc/27/83/51/600278351.db2.gz VCZAQDHTAKFECN-QGZVFWFLSA-N 0 1 385.468 2.518 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736822647 600332600 /nfs/dbraw/zinc/33/26/00/600332600.db2.gz UDXHACHPDPAXEU-DFPKUZHUSA-N 0 1 385.460 2.975 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000736822647 600332602 /nfs/dbraw/zinc/33/26/02/600332602.db2.gz UDXHACHPDPAXEU-DFPKUZHUSA-N 0 1 385.460 2.975 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)CN(C)[C@@H]3CC[N@H+](C4CC4)C3)c2C(=O)[O-])C1 ZINC000736803046 600336951 /nfs/dbraw/zinc/33/69/51/600336951.db2.gz RXUPGCMDBVHAMU-GXTWGEPZSA-N 0 1 391.537 2.678 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1Cl ZINC000737359525 600341282 /nfs/dbraw/zinc/34/12/82/600341282.db2.gz UHKSWBYOQUQPHF-ZBFHGGJFSA-N 0 1 379.888 2.839 20 0 GFADMN COc1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000738001070 600358737 /nfs/dbraw/zinc/35/87/37/600358737.db2.gz ANTVIDLLOVYBHZ-MRXNPFEDSA-N 0 1 397.475 2.809 20 0 GFADMN COc1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000738001070 600358741 /nfs/dbraw/zinc/35/87/41/600358741.db2.gz ANTVIDLLOVYBHZ-MRXNPFEDSA-N 0 1 397.475 2.809 20 0 GFADMN COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000738033430 600372459 /nfs/dbraw/zinc/37/24/59/600372459.db2.gz JDMSIRPURVMVFC-CQSZACIVSA-N 0 1 399.447 2.539 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(F)c(C(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000738407577 600385795 /nfs/dbraw/zinc/38/57/95/600385795.db2.gz ITXFWJCIKVXPLY-AWEZNQCLSA-N 0 1 387.415 2.721 20 0 GFADMN COc1ccc(CCC(=O)N2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000737986871 600404020 /nfs/dbraw/zinc/40/40/20/600404020.db2.gz KPMACOODVWCGEA-QFIPXVFZSA-N 0 1 396.487 2.988 20 0 GFADMN CC[C@H]1CN(CCn2cccn2)CC[N@H+]1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736943365 600406958 /nfs/dbraw/zinc/40/69/58/600406958.db2.gz LOXZOWRYUDLHRZ-ROUUACIJSA-N 0 1 376.888 2.759 20 0 GFADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736943365 600406961 /nfs/dbraw/zinc/40/69/61/600406961.db2.gz LOXZOWRYUDLHRZ-ROUUACIJSA-N 0 1 376.888 2.759 20 0 GFADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736943365 600406964 /nfs/dbraw/zinc/40/69/64/600406964.db2.gz LOXZOWRYUDLHRZ-ROUUACIJSA-N 0 1 376.888 2.759 20 0 GFADMN C[C@@](CO)([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000736606730 600410856 /nfs/dbraw/zinc/41/08/56/600410856.db2.gz KEJAPUJAODTQKV-SFHVURJKSA-N 0 1 396.365 2.839 20 0 GFADMN COc1ccccc1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000738128313 600441872 /nfs/dbraw/zinc/44/18/72/600441872.db2.gz NHISDCXPJAFLFM-INIZCTEOSA-N 0 1 383.448 2.891 20 0 GFADMN CC(=O)Nc1ccc(NC(=O)C[N@H+](CCC(=O)[O-])C(C)C)c(C(F)(F)F)c1 ZINC000736158671 600444831 /nfs/dbraw/zinc/44/48/31/600444831.db2.gz BCCALYBIGITZEM-UHFFFAOYSA-N 0 1 389.374 2.787 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)cn1 ZINC000738887938 600457466 /nfs/dbraw/zinc/45/74/66/600457466.db2.gz UTSYWHTUYCVKEG-UHFFFAOYSA-N 0 1 394.435 2.708 20 0 GFADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737521218 600463801 /nfs/dbraw/zinc/46/38/01/600463801.db2.gz NOXFFNOSKGNURW-UONOGXRCSA-N 0 1 394.518 2.847 20 0 GFADMN CC(C)Oc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1-c1nn[nH]n1 ZINC000820170003 607447322 /nfs/dbraw/zinc/44/73/22/607447322.db2.gz NPYSLIJRUMEPFP-UHFFFAOYSA-N 0 1 390.407 2.691 20 0 GFADMN O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000739719125 600502429 /nfs/dbraw/zinc/50/24/29/600502429.db2.gz RVFGKLHKDFWDLB-PKOBYXMFSA-N 0 1 392.471 2.520 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236985 600541853 /nfs/dbraw/zinc/54/18/53/600541853.db2.gz QPWPNDCPCQLLMN-LSDHHAIUSA-N 0 1 391.512 2.775 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236985 600541855 /nfs/dbraw/zinc/54/18/55/600541855.db2.gz QPWPNDCPCQLLMN-LSDHHAIUSA-N 0 1 391.512 2.775 20 0 GFADMN COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000737950470 600638930 /nfs/dbraw/zinc/63/89/30/600638930.db2.gz QWULMMUHNMMFCT-YWZLYKJASA-N 0 1 382.460 2.774 20 0 GFADMN COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000737950470 600638932 /nfs/dbraw/zinc/63/89/32/600638932.db2.gz QWULMMUHNMMFCT-YWZLYKJASA-N 0 1 382.460 2.774 20 0 GFADMN COC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000831424112 600657574 /nfs/dbraw/zinc/65/75/74/600657574.db2.gz PLKAPUJMVDQOTN-CQSZACIVSA-N 0 1 391.468 2.948 20 0 GFADMN COC(=O)c1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1C(=O)[O-] ZINC000831280387 600662367 /nfs/dbraw/zinc/66/23/67/600662367.db2.gz AHWQIWNDPANORD-UHFFFAOYSA-N 0 1 391.468 2.756 20 0 GFADMN O=C([O-])C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccs1 ZINC000739626950 600678091 /nfs/dbraw/zinc/67/80/91/600678091.db2.gz MNFIHIRWHQIKCV-DLBZAZTESA-N 0 1 388.489 2.671 20 0 GFADMN O=C([O-])C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccs1 ZINC000739626950 600678092 /nfs/dbraw/zinc/67/80/92/600678092.db2.gz MNFIHIRWHQIKCV-DLBZAZTESA-N 0 1 388.489 2.671 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659758949 600691756 /nfs/dbraw/zinc/69/17/56/600691756.db2.gz LJAXIQFTULWAFS-KRWDZBQOSA-N 0 1 382.460 2.887 20 0 GFADMN O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000833297837 600692648 /nfs/dbraw/zinc/69/26/48/600692648.db2.gz WMCYTZSGEFKYCQ-INIZCTEOSA-N 0 1 394.880 2.591 20 0 GFADMN O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000833297837 600692649 /nfs/dbraw/zinc/69/26/49/600692649.db2.gz WMCYTZSGEFKYCQ-INIZCTEOSA-N 0 1 394.880 2.591 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccsc1 ZINC000830585347 600704276 /nfs/dbraw/zinc/70/42/76/600704276.db2.gz YNEDIBWMRQAYPS-CQSZACIVSA-N 0 1 388.898 2.681 20 0 GFADMN O=C([O-])c1cc(N2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc2n1 ZINC000740080068 600707616 /nfs/dbraw/zinc/70/76/16/600707616.db2.gz BFVNJJDOBQBAJJ-LBPRGKRZSA-N 0 1 376.254 2.980 20 0 GFADMN O=C([O-])CC[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000833222209 600708418 /nfs/dbraw/zinc/70/84/18/600708418.db2.gz MTLCWSISTLSDAB-LEWJYISDSA-N 0 1 396.487 3.000 20 0 GFADMN O=C([O-])CC[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000833222209 600708419 /nfs/dbraw/zinc/70/84/19/600708419.db2.gz MTLCWSISTLSDAB-LEWJYISDSA-N 0 1 396.487 3.000 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736815731 600719828 /nfs/dbraw/zinc/71/98/28/600719828.db2.gz WVXBKKVYUCWFSY-HNNXBMFYSA-N 0 1 387.505 2.981 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736815732 600719918 /nfs/dbraw/zinc/71/99/18/600719918.db2.gz WVXBKKVYUCWFSY-OAHLLOKOSA-N 0 1 387.505 2.981 20 0 GFADMN O=C([O-])CC[N@H+](Cn1nc(Cc2cccs2)oc1=S)C1CCOCC1 ZINC000833235754 600721885 /nfs/dbraw/zinc/72/18/85/600721885.db2.gz BEBBOVYGBVJPKN-UHFFFAOYSA-N 0 1 383.495 2.771 20 0 GFADMN O=C([O-])CC[N@@H+](Cn1nc(Cc2cccs2)oc1=S)C1CCOCC1 ZINC000833235754 600721888 /nfs/dbraw/zinc/72/18/88/600721888.db2.gz 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/nfs/dbraw/zinc/76/59/31/601765931.db2.gz SQOUZQGVHYZFOW-UHFFFAOYSA-N 0 1 389.496 2.617 20 0 GFADMN C[C@H](CS(=O)(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000827563655 601779924 /nfs/dbraw/zinc/77/99/24/601779924.db2.gz PWUWTWZVIJMBTH-OAHLLOKOSA-N 0 1 382.526 2.591 20 0 GFADMN O=C([O-])NC[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740627239 601874290 /nfs/dbraw/zinc/87/42/90/601874290.db2.gz BCSWMENGIYJNSZ-QAPCUYQASA-N 0 1 399.413 2.557 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000830806468 601893126 /nfs/dbraw/zinc/89/31/26/601893126.db2.gz MSFXWVLEGFZELV-CQSZACIVSA-N 0 1 391.320 2.844 20 0 GFADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000830806468 601893127 /nfs/dbraw/zinc/89/31/27/601893127.db2.gz MSFXWVLEGFZELV-CQSZACIVSA-N 0 1 391.320 2.844 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826021433 601926609 /nfs/dbraw/zinc/92/66/09/601926609.db2.gz QPDQJEWAWYHLLM-MFKMUULPSA-N 0 1 387.299 2.668 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826021433 601926611 /nfs/dbraw/zinc/92/66/11/601926611.db2.gz QPDQJEWAWYHLLM-MFKMUULPSA-N 0 1 387.299 2.668 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832123988 601928875 /nfs/dbraw/zinc/92/88/75/601928875.db2.gz HBGIWRAWLNDFNP-GOSISDBHSA-N 0 1 375.450 2.554 20 0 GFADMN COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000832123988 601928878 /nfs/dbraw/zinc/92/88/78/601928878.db2.gz HBGIWRAWLNDFNP-GOSISDBHSA-N 0 1 375.450 2.554 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000740644763 601936874 /nfs/dbraw/zinc/93/68/74/601936874.db2.gz AXEPORYSHITEDI-MRVPVSSYSA-N 0 1 387.259 2.650 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000740644763 601936877 /nfs/dbraw/zinc/93/68/77/601936877.db2.gz AXEPORYSHITEDI-MRVPVSSYSA-N 0 1 387.259 2.650 20 0 GFADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000828019937 601939915 /nfs/dbraw/zinc/93/99/15/601939915.db2.gz FIJJTLWXYGGXII-KUHUBIRLSA-N 0 1 387.461 2.815 20 0 GFADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618590 601946822 /nfs/dbraw/zinc/94/68/22/601946822.db2.gz UJRYOAVISBYBGH-KGLIPLIRSA-N 0 1 380.514 2.787 20 0 GFADMN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738618590 601946825 /nfs/dbraw/zinc/94/68/25/601946825.db2.gz UJRYOAVISBYBGH-KGLIPLIRSA-N 0 1 380.514 2.787 20 0 GFADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C(=O)[O-])s3)CC2)nc1 ZINC000829881181 601948036 /nfs/dbraw/zinc/94/80/36/601948036.db2.gz ANUAHJAUCKJHRY-UHFFFAOYSA-N 0 1 389.477 2.730 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000262941941 601949341 /nfs/dbraw/zinc/94/93/41/601949341.db2.gz CKWSBQZMSPXSLW-IEBWSBKVSA-N 0 1 376.453 2.889 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738629008 601954145 /nfs/dbraw/zinc/95/41/45/601954145.db2.gz GEWTWIIPFAMCRE-WDEREUQCSA-N 0 1 375.347 2.502 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738629008 601954149 /nfs/dbraw/zinc/95/41/49/601954149.db2.gz GEWTWIIPFAMCRE-WDEREUQCSA-N 0 1 375.347 2.502 20 0 GFADMN Cc1coc(-c2cccc(NS(=O)(=O)c3cccc(C)c3-c3nn[nH]n3)c2)n1 ZINC000826320601 607538267 /nfs/dbraw/zinc/53/82/67/607538267.db2.gz XCZBCEHVFPDRJZ-UHFFFAOYSA-N 0 1 396.432 2.939 20 0 GFADMN CC(C)C[C@H](NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000826788240 602024855 /nfs/dbraw/zinc/02/48/55/602024855.db2.gz WLYPJHCFMGNTFS-HKUYNNGSSA-N 0 1 381.561 2.578 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1)C(=O)[O-] ZINC000739645882 602063212 /nfs/dbraw/zinc/06/32/12/602063212.db2.gz ZCPDTOBYPYZVDA-PBHICJAKSA-N 0 1 396.919 2.974 20 0 GFADMN CC(C)(CNC(=O)N1CCC[C@H](CNC(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000738751724 602096825 /nfs/dbraw/zinc/09/68/25/602096825.db2.gz ZMZKDJUSLANOML-MRXNPFEDSA-N 0 1 388.512 2.513 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cc1F ZINC000740238194 602139213 /nfs/dbraw/zinc/13/92/13/602139213.db2.gz YIZISJQTBSIFOJ-OAHLLOKOSA-N 0 1 389.431 2.604 20 0 GFADMN CCO[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000829913523 602170030 /nfs/dbraw/zinc/17/00/30/602170030.db2.gz ZVFTZPKTLCJGLI-WIYYLYMNSA-N 0 1 376.497 2.673 20 0 GFADMN C[N@@H+]1CCN(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000739735814 602187222 /nfs/dbraw/zinc/18/72/22/602187222.db2.gz VHFBUSLOAOMYFT-HXUWFJFHSA-N 0 1 396.491 2.695 20 0 GFADMN C[N@H+]1CCN(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000739735814 602187225 /nfs/dbraw/zinc/18/72/25/602187225.db2.gz VHFBUSLOAOMYFT-HXUWFJFHSA-N 0 1 396.491 2.695 20 0 GFADMN O=C([O-])N1CCC[C@H]1C1CC[NH+](CN2C[C@H](c3cccc(F)c3)CC2=O)CC1 ZINC000740728897 602268330 /nfs/dbraw/zinc/26/83/30/602268330.db2.gz CSUAPUSWXSCZRU-MJGOQNOKSA-N 0 1 389.471 2.954 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1 ZINC000739108445 602286090 /nfs/dbraw/zinc/28/60/90/602286090.db2.gz XAFXIIDWWODLNL-HNNXBMFYSA-N 0 1 392.500 2.965 20 0 GFADMN O=C([O-])C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCCC1 ZINC000833247633 602339228 /nfs/dbraw/zinc/33/92/28/602339228.db2.gz RIBIRKQEZAGMSI-UHFFFAOYSA-N 0 1 384.358 2.849 20 0 GFADMN O=C([O-])C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCCC1 ZINC000833247633 602339232 /nfs/dbraw/zinc/33/92/32/602339232.db2.gz RIBIRKQEZAGMSI-UHFFFAOYSA-N 0 1 384.358 2.849 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC(=O)[O-])C2CCCC2)cc1OC ZINC000832273240 602339607 /nfs/dbraw/zinc/33/96/07/602339607.db2.gz QFTAOJSHCPNHAJ-KRWDZBQOSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)cc1OC ZINC000832273240 602339609 /nfs/dbraw/zinc/33/96/09/602339609.db2.gz QFTAOJSHCPNHAJ-KRWDZBQOSA-N 0 1 390.480 2.697 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000832916954 602341345 /nfs/dbraw/zinc/34/13/45/602341345.db2.gz UGBWWYQUFKQNEX-IBGZPJMESA-N 0 1 381.476 2.838 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])sc2C1 ZINC000739463536 602352276 /nfs/dbraw/zinc/35/22/76/602352276.db2.gz UGHWYWMKJUFMDZ-YUTCNCBUSA-N 0 1 378.498 2.771 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)[O-])sc2C1 ZINC000739463536 602352279 /nfs/dbraw/zinc/35/22/79/602352279.db2.gz UGHWYWMKJUFMDZ-YUTCNCBUSA-N 0 1 378.498 2.771 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828441957 602379898 /nfs/dbraw/zinc/37/98/98/602379898.db2.gz VQUNYMGRZOSPGS-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828441957 602379902 /nfs/dbraw/zinc/37/99/02/602379902.db2.gz VQUNYMGRZOSPGS-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000739109154 602449144 /nfs/dbraw/zinc/44/91/44/602449144.db2.gz YEIGUFFKLMMQEI-MRXNPFEDSA-N 0 1 389.496 2.812 20 0 GFADMN C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739627794 602451044 /nfs/dbraw/zinc/45/10/44/602451044.db2.gz BDAOYVPWWKIMCT-LBPRGKRZSA-N 0 1 384.274 2.709 20 0 GFADMN O=C([O-])N1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000740402218 602503164 /nfs/dbraw/zinc/50/31/64/602503164.db2.gz WGEZHGNQHBCBRK-KRWDZBQOSA-N 0 1 381.423 2.578 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738603304 602529723 /nfs/dbraw/zinc/52/97/23/602529723.db2.gz PJSKGRNFGXZNET-STQMWFEESA-N 0 1 385.867 2.758 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737887045 602534971 /nfs/dbraw/zinc/53/49/71/602534971.db2.gz SMWCSGVGUCERRJ-KRWDZBQOSA-N 0 1 377.485 2.727 20 0 GFADMN COc1cc(Br)c(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739853045 602537354 /nfs/dbraw/zinc/53/73/54/602537354.db2.gz RDMWYSFQUJXZEM-LLVKDONJSA-N 0 1 387.274 2.898 20 0 GFADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1)C(=O)[O-] ZINC000739662301 602537493 /nfs/dbraw/zinc/53/74/93/602537493.db2.gz YZXLXMKCVVBPGC-JTQLQIEISA-N 0 1 391.802 2.812 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1)C(=O)[O-] ZINC000739662301 602537495 /nfs/dbraw/zinc/53/74/95/602537495.db2.gz YZXLXMKCVVBPGC-JTQLQIEISA-N 0 1 391.802 2.812 20 0 GFADMN CC(C)(NC(=O)[O-])c1noc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000738753885 602547216 /nfs/dbraw/zinc/54/72/16/602547216.db2.gz BTYMEUUZQXSEFW-UHFFFAOYSA-N 0 1 387.484 2.669 20 0 GFADMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000740236148 602570164 /nfs/dbraw/zinc/57/01/64/602570164.db2.gz KSKLLWAHNVFNGO-GOSISDBHSA-N 0 1 378.432 2.676 20 0 GFADMN CN(C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1)C(=O)[O-] ZINC000739659344 602579327 /nfs/dbraw/zinc/57/93/27/602579327.db2.gz JDEJDUMETVRWDH-GOSISDBHSA-N 0 1 385.464 2.740 20 0 GFADMN CCN(CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[O-] ZINC000739416707 602618595 /nfs/dbraw/zinc/61/85/95/602618595.db2.gz HEBHKIKNWCIQBU-YQQQUEKLSA-N 0 1 388.512 2.871 20 0 GFADMN C[C@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000738915749 602631724 /nfs/dbraw/zinc/63/17/24/602631724.db2.gz IJBLGYDFKLDNSL-AEFFLSMTSA-N 0 1 376.501 2.538 20 0 GFADMN C[C@@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)[N@H+]1CCCC[C@@H]1C ZINC000739103934 602696617 /nfs/dbraw/zinc/69/66/17/602696617.db2.gz HTXDKICGSZIMOJ-HOTGVXAUSA-N 0 1 376.501 2.796 20 0 GFADMN CC[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000739258201 602697722 /nfs/dbraw/zinc/69/77/22/602697722.db2.gz PANSIODYWFDLDZ-LPHOPBHVSA-N 0 1 388.512 2.513 20 0 GFADMN CC[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1)[N@H+]1CCc2ccccc2C1 ZINC000739258205 602697817 /nfs/dbraw/zinc/69/78/17/602697817.db2.gz PANSIODYWFDLDZ-VQIMIIECSA-N 0 1 388.512 2.513 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)NCCCN(C(=O)[O-])C(C)C)CC2)cs1 ZINC000740223530 602727066 /nfs/dbraw/zinc/72/70/66/602727066.db2.gz MJODEYCLLZTRRD-UHFFFAOYSA-N 0 1 382.530 2.558 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000739183200 602760589 /nfs/dbraw/zinc/76/05/89/602760589.db2.gz GINRZEXXXMIIJA-MWDXBVQZSA-N 0 1 389.496 2.509 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739177215 602785467 /nfs/dbraw/zinc/78/54/67/602785467.db2.gz VLEZYULWSQBJHI-YJBOKZPZSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739177215 602785471 /nfs/dbraw/zinc/78/54/71/602785471.db2.gz VLEZYULWSQBJHI-YJBOKZPZSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC[C@H]1NC(=O)[O-] ZINC000739137233 602833819 /nfs/dbraw/zinc/83/38/19/602833819.db2.gz PXUNRLVDQQKJTI-KBAYOESNSA-N 0 1 380.533 2.719 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806178 602899135 /nfs/dbraw/zinc/89/91/35/602899135.db2.gz CEXSVEYIWBOWDF-VBQJREDUSA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806178 602899140 /nfs/dbraw/zinc/89/91/40/602899140.db2.gz CEXSVEYIWBOWDF-VBQJREDUSA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806177 602899244 /nfs/dbraw/zinc/89/92/44/602899244.db2.gz CEXSVEYIWBOWDF-JKIFEVAISA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806177 602899246 /nfs/dbraw/zinc/89/92/46/602899246.db2.gz CEXSVEYIWBOWDF-JKIFEVAISA-N 0 1 376.457 2.882 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000739185485 603006010 /nfs/dbraw/zinc/00/60/10/603006010.db2.gz ACBXFJUPXGOSNP-DTTOXWODSA-N 0 1 375.469 2.671 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000739060241 603030618 /nfs/dbraw/zinc/03/06/18/603030618.db2.gz WQYSUIAEIUBKMJ-HZPDHXFCSA-N 0 1 390.484 2.543 20 0 GFADMN CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000739189104 603058968 /nfs/dbraw/zinc/05/89/68/603058968.db2.gz YMTLZIHTYAUJSI-WHSLLNHNSA-N 0 1 391.512 2.708 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739081557 603136124 /nfs/dbraw/zinc/13/61/24/603136124.db2.gz JERCASNLBUCVQW-AYOQOUSVSA-N 0 1 388.512 2.727 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000739681927 603250367 /nfs/dbraw/zinc/25/03/67/603250367.db2.gz JWEHRNVFRCYYHN-IBGZPJMESA-N 0 1 387.505 2.812 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000740568824 603252100 /nfs/dbraw/zinc/25/21/00/603252100.db2.gz NYZIYTCDGSPQTK-ARFHVFGLSA-N 0 1 379.526 2.903 20 0 GFADMN C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826042630 603266381 /nfs/dbraw/zinc/26/63/81/603266381.db2.gz QOUYURFVLHXIPI-YFHUEUNASA-N 0 1 391.512 2.635 20 0 GFADMN CC[C@@H]1CN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000826680324 603386934 /nfs/dbraw/zinc/38/69/34/603386934.db2.gz ARYZDSGAJQZPQG-WMLDXEAASA-N 0 1 378.473 2.590 20 0 GFADMN O=C([O-])NCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000832583462 603482355 /nfs/dbraw/zinc/48/23/55/603482355.db2.gz OOCBZILSWWXDSN-GOSISDBHSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])NCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000832583462 603482357 /nfs/dbraw/zinc/48/23/57/603482357.db2.gz OOCBZILSWWXDSN-GOSISDBHSA-N 0 1 377.460 2.686 20 0 GFADMN CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1)C(c1ccccc1)c1ccccc1 ZINC000828086288 603483471 /nfs/dbraw/zinc/48/34/71/603483471.db2.gz RYVWXZJIINLYOR-LJQANCHMSA-N 0 1 381.476 2.919 20 0 GFADMN 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C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645251 603538461 /nfs/dbraw/zinc/53/84/61/603538461.db2.gz MYIACQIIAYOHEQ-LSDHHAIUSA-N 0 1 392.500 2.567 20 0 GFADMN C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645251 603538463 /nfs/dbraw/zinc/53/84/63/603538463.db2.gz MYIACQIIAYOHEQ-LSDHHAIUSA-N 0 1 392.500 2.567 20 0 GFADMN CCN(CC1CC[NH+]([C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1)C(=O)[O-] ZINC000827089619 603539003 /nfs/dbraw/zinc/53/90/03/603539003.db2.gz NNCWEFNGWULYEF-CQSZACIVSA-N 0 1 393.484 2.743 20 0 GFADMN Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC[C@@H](CNC(=O)[O-])C3)cs2)cc1 ZINC000830377117 603558408 /nfs/dbraw/zinc/55/84/08/603558408.db2.gz NWQSKAQGFIBUJA-AWEZNQCLSA-N 0 1 388.493 2.722 20 0 GFADMN Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CC[C@@H](CNC(=O)[O-])C3)cs2)cc1 ZINC000830377117 603558414 /nfs/dbraw/zinc/55/84/14/603558414.db2.gz NWQSKAQGFIBUJA-AWEZNQCLSA-N 0 1 388.493 2.722 20 0 GFADMN CCN(CC1CC[NH+](Cn2c(C)c(C)n(CCOC)c2=S)CC1)C(=O)[O-] ZINC000827099436 603600389 /nfs/dbraw/zinc/60/03/89/603600389.db2.gz NAKVBWQEMWWTGD-UHFFFAOYSA-N 0 1 384.546 2.952 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000826067367 603662969 /nfs/dbraw/zinc/66/29/69/603662969.db2.gz KNVVBCLSLGLICH-GWFLUQINSA-N 0 1 388.512 2.775 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000826069541 603666504 /nfs/dbraw/zinc/66/65/04/603666504.db2.gz VLJVWEHNKGSYLZ-BVBHFADKSA-N 0 1 388.512 2.633 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000826066118 603674742 /nfs/dbraw/zinc/67/47/42/603674742.db2.gz BUAJJCVYUBHUEG-NEWSRXKRSA-N 0 1 388.512 2.586 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000826069477 603675147 /nfs/dbraw/zinc/67/51/47/603675147.db2.gz UNQUPUBGKKAQAU-APWZRJJASA-N 0 1 388.512 2.681 20 0 GFADMN 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ZINC000833628456 605198669 /nfs/dbraw/zinc/19/86/69/605198669.db2.gz ILNTVWGRAFRVGN-KRWDZBQOSA-N 0 1 397.475 2.898 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C(=O)[O-])c1 ZINC000833751902 605199127 /nfs/dbraw/zinc/19/91/27/605199127.db2.gz ZJDMAGMZQXMKPJ-DOTOQJQBSA-N 0 1 388.489 2.807 20 0 GFADMN COC(=O)c1cc(C[N@@H+]2CCN(c3nc(C)cs3)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000833712337 605202942 /nfs/dbraw/zinc/20/29/42/605202942.db2.gz FDUKITGZJYJYJD-ZDUSSCGKSA-N 0 1 389.477 2.647 20 0 GFADMN COC(=O)c1cc(C[N@H+]2CCN(c3nc(C)cs3)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000833712337 605202945 /nfs/dbraw/zinc/20/29/45/605202945.db2.gz FDUKITGZJYJYJD-ZDUSSCGKSA-N 0 1 389.477 2.647 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000833627879 605223146 /nfs/dbraw/zinc/22/31/46/605223146.db2.gz WSXCHNVQYSFPBI-NVRFMJDISA-N 0 1 383.492 2.790 20 0 GFADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)c2ccccc2C(=O)[O-])CC1 ZINC000833547915 605236368 /nfs/dbraw/zinc/23/63/68/605236368.db2.gz GSIFOEWXWULZHG-KRWDZBQOSA-N 0 1 381.476 2.726 20 0 GFADMN O=C([O-])N[C@H]1CCc2ncc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2C1 ZINC000834192363 605329529 /nfs/dbraw/zinc/32/95/29/605329529.db2.gz PBAZMIKEYNRGCQ-HOCLYGCPSA-N 0 1 386.496 2.800 20 0 GFADMN O=C([O-])N[C@@H]1CCc2ncc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2C1 ZINC000834192359 605329568 /nfs/dbraw/zinc/32/95/68/605329568.db2.gz PBAZMIKEYNRGCQ-GOEBONIOSA-N 0 1 386.496 2.800 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@@H]21 ZINC000834183966 605437062 /nfs/dbraw/zinc/43/70/62/605437062.db2.gz QGHLEPMPSUGRFO-AEGPPILISA-N 0 1 388.436 2.551 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@@H]21 ZINC000834183966 605437066 /nfs/dbraw/zinc/43/70/66/605437066.db2.gz QGHLEPMPSUGRFO-AEGPPILISA-N 0 1 388.436 2.551 20 0 GFADMN CC(C)[N@@H+]1CC[C@H](NC(=O)CCCN(C)C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833499714 605475494 /nfs/dbraw/zinc/47/54/94/605475494.db2.gz LYBPCNFAHNODKF-WMZOPIPTSA-N 0 1 383.439 2.995 20 0 GFADMN CC(C)[N@H+]1CC[C@H](NC(=O)CCCN(C)C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000833499714 605475497 /nfs/dbraw/zinc/47/54/97/605475497.db2.gz LYBPCNFAHNODKF-WMZOPIPTSA-N 0 1 383.439 2.995 20 0 GFADMN CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824257141 605526571 /nfs/dbraw/zinc/52/65/71/605526571.db2.gz MZQMFBXSQNAGSP-AEFFLSMTSA-N 0 1 376.501 2.663 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833919337 605595944 /nfs/dbraw/zinc/59/59/44/605595944.db2.gz WENPHDPODTUIBK-KRWDZBQOSA-N 0 1 379.420 2.591 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000833811681 605604723 /nfs/dbraw/zinc/60/47/23/605604723.db2.gz DHDSNVKDKDSLRY-UKRRQHHQSA-N 0 1 386.452 2.716 20 0 GFADMN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C[NH+]2CCC(NC(=O)[O-])CC2)C2CC2)o1 ZINC000825861735 605631151 /nfs/dbraw/zinc/63/11/51/605631151.db2.gz XKOIYWMKFXUESP-DYVFJYSZSA-N 0 1 375.469 2.626 20 0 GFADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000834028468 605685758 /nfs/dbraw/zinc/68/57/58/605685758.db2.gz OEZFSOLKHBOYCK-LEAZDLGRSA-N 0 1 385.508 2.761 20 0 GFADMN COC(=O)[C@@H]1CC[N@@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C(=O)[O-])C1 ZINC000833706934 605691914 /nfs/dbraw/zinc/69/19/14/605691914.db2.gz ITRJZOUHIZNLLT-IAGOWNOFSA-N 0 1 390.480 2.669 20 0 GFADMN O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000834051792 605728952 /nfs/dbraw/zinc/72/89/52/605728952.db2.gz NZPAWBPQOBKQFS-CVEARBPZSA-N 0 1 389.500 2.860 20 0 GFADMN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000825121929 605730587 /nfs/dbraw/zinc/73/05/87/605730587.db2.gz PAEHNCBIKPAOSV-CQSZACIVSA-N 0 1 387.484 2.526 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c2)C[C@H](C)O1 ZINC000826067020 605733187 /nfs/dbraw/zinc/73/31/87/605733187.db2.gz IMGUCODJVGEFET-JKIFEVAISA-N 0 1 377.485 2.917 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c2)C[C@H](C)O1 ZINC000826067020 605733193 /nfs/dbraw/zinc/73/31/93/605733193.db2.gz IMGUCODJVGEFET-JKIFEVAISA-N 0 1 377.485 2.917 20 0 GFADMN C[C@](O)(CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000833524670 605757439 /nfs/dbraw/zinc/75/74/39/605757439.db2.gz KZGUSROFPHFEDX-GOTSBHOMSA-N 0 1 396.487 2.520 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000833732892 605848707 /nfs/dbraw/zinc/84/87/07/605848707.db2.gz VHIOQAKCSYIGJN-MSOLQXFVSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000833732892 605848708 /nfs/dbraw/zinc/84/87/08/605848708.db2.gz VHIOQAKCSYIGJN-MSOLQXFVSA-N 0 1 390.480 2.697 20 0 GFADMN Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1NC(=O)[O-] ZINC000829924169 605891457 /nfs/dbraw/zinc/89/14/57/605891457.db2.gz DUEXSAGTSZBRLF-YQQAZPJKSA-N 0 1 375.469 2.799 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000834091974 605900666 /nfs/dbraw/zinc/90/06/66/605900666.db2.gz AQEMVQAAKIWSQI-OAHLLOKOSA-N 0 1 383.286 2.948 20 0 GFADMN C[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000833521757 605906332 /nfs/dbraw/zinc/90/63/32/605906332.db2.gz RYTMXIVUJAPGNL-SNVBAGLBSA-N 0 1 382.258 2.919 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000833828770 605909043 /nfs/dbraw/zinc/90/90/43/605909043.db2.gz DXPJERVKQZIUFC-RYUDHWBXSA-N 0 1 384.274 2.756 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(C(=O)[O-])c1 ZINC000833510525 605914953 /nfs/dbraw/zinc/91/49/53/605914953.db2.gz LZUUWEWEWRWVQA-ZWKOTPCHSA-N 0 1 387.480 2.532 20 0 GFADMN CCCN(CCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000833854971 606009419 /nfs/dbraw/zinc/00/94/19/606009419.db2.gz IVDBHXXOLGOHSD-HNNXBMFYSA-N 0 1 378.473 2.591 20 0 GFADMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000822242408 606069742 /nfs/dbraw/zinc/06/97/42/606069742.db2.gz KHLRTQWZQFOYRE-MRXNPFEDSA-N 0 1 395.442 2.560 20 0 GFADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000819876941 606115082 /nfs/dbraw/zinc/11/50/82/606115082.db2.gz KPWCTRRIHOVMIX-RWMBFGLXSA-N 0 1 386.525 2.866 20 0 GFADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000819876941 606115084 /nfs/dbraw/zinc/11/50/84/606115084.db2.gz KPWCTRRIHOVMIX-RWMBFGLXSA-N 0 1 386.525 2.866 20 0 GFADMN CC(C)(C(=O)NOCc1cn2ccccc2c1-c1nn[nH]n1)c1ccccc1 ZINC000819891846 606176811 /nfs/dbraw/zinc/17/68/11/606176811.db2.gz IGQFCENHQBZSLP-UHFFFAOYSA-N 0 1 376.420 2.645 20 0 GFADMN C[C@@H]([NH2+]C1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1)c1ccccc1 ZINC000820412212 606219743 /nfs/dbraw/zinc/21/97/43/606219743.db2.gz KWJPBTFNHPFWCS-OAHLLOKOSA-N 0 1 379.468 2.574 20 0 GFADMN C[C@@H]([NH2+]C1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1)c1ccccc1 ZINC000820412212 606219745 /nfs/dbraw/zinc/21/97/45/606219745.db2.gz KWJPBTFNHPFWCS-OAHLLOKOSA-N 0 1 379.468 2.574 20 0 GFADMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)cc1 ZINC000821418265 606297986 /nfs/dbraw/zinc/29/79/86/606297986.db2.gz YIYMDVXNKQVNMI-LRDDRELGSA-N 0 1 398.492 2.783 20 0 GFADMN Cc1cc([C@@H](C)N[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)ccc1F ZINC000822191849 606417134 /nfs/dbraw/zinc/41/71/34/606417134.db2.gz SILYKDKHGIDOKA-IAQYHMDHSA-N 0 1 386.456 2.832 20 0 GFADMN O=C(CN1CCC(c2ccc(F)cc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993132 606455856 /nfs/dbraw/zinc/45/58/56/606455856.db2.gz OTQWLYBWFJVXTP-UHFFFAOYSA-N 0 1 394.454 2.502 20 0 GFADMN C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000821587290 606569900 /nfs/dbraw/zinc/56/99/00/606569900.db2.gz PMCCSNSGADMTQY-UHFFFAOYSA-N 0 1 381.465 2.697 20 0 GFADMN C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821587290 606569902 /nfs/dbraw/zinc/56/99/02/606569902.db2.gz PMCCSNSGADMTQY-UHFFFAOYSA-N 0 1 381.465 2.697 20 0 GFADMN CC(C)CC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820051325 606606297 /nfs/dbraw/zinc/60/62/97/606606297.db2.gz NCLVGNXRGMQAQI-UHFFFAOYSA-N 0 1 384.528 2.973 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cnc1Cl ZINC000822209661 606638026 /nfs/dbraw/zinc/63/80/26/606638026.db2.gz QXVSBRKXZJDSGI-UHFFFAOYSA-N 0 1 385.236 2.678 20 0 GFADMN Cc1cc(CC(=O)Nc2ccc(Oc3ccccc3-c3nn[nH]n3)cc2)n[nH]1 ZINC000822199749 606672846 /nfs/dbraw/zinc/67/28/46/606672846.db2.gz GNHWRHZACJJSBL-UHFFFAOYSA-N 0 1 375.392 2.872 20 0 GFADMN Fc1ccc2oc(CN3CCCN(c4ccccc4-c4nn[nH]n4)CC3)nc2c1 ZINC000822786499 606765227 /nfs/dbraw/zinc/76/52/27/606765227.db2.gz LLWVGWYJMPWGDI-UHFFFAOYSA-N 0 1 393.426 2.859 20 0 GFADMN CC(C)CN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C ZINC000820087776 606796191 /nfs/dbraw/zinc/79/61/91/606796191.db2.gz ZWKQOLHHXREPQK-UHFFFAOYSA-N 0 1 379.530 2.645 20 0 GFADMN CC1(C)CO[C@H](c2ccccc2)CN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820606946 606893312 /nfs/dbraw/zinc/89/33/12/606893312.db2.gz GPUHKDUGBHXYGP-MOPGFXCFSA-N 0 1 379.464 2.752 20 0 GFADMN Cc1ccccc1[C@@H]1CN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)CO1 ZINC000822351754 606903878 /nfs/dbraw/zinc/90/38/78/606903878.db2.gz PWMNTOFYQLSXGY-YSGRDPCXSA-N 0 1 379.464 2.671 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CC(C)(C)c3ccccc32)cc1-c1nn[nH]n1 ZINC000821969617 606914494 /nfs/dbraw/zinc/91/44/94/606914494.db2.gz BMYJHDAROAFKDW-UHFFFAOYSA-N 0 1 382.449 2.627 20 0 GFADMN CC[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2OC)cc1)N(C)C ZINC000820841612 606969169 /nfs/dbraw/zinc/96/91/69/606969169.db2.gz APKZHSYVRUXFNT-MRXNPFEDSA-N 0 1 396.451 2.946 20 0 GFADMN O=C(NC[C@H]1CCCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823176304 606979707 /nfs/dbraw/zinc/97/97/07/606979707.db2.gz RGIQEPGFECAVNY-QGZVFWFLSA-N 0 1 394.454 2.790 20 0 GFADMN OC[C@@H](NCc1cc(-c2nn[nH]n2)cs1)c1cccc(Br)c1 ZINC000823706779 607010426 /nfs/dbraw/zinc/01/04/26/607010426.db2.gz OXNKCXFPKZXICT-CYBMUJFWSA-N 0 1 380.271 2.514 20 0 GFADMN CC[C@@H](C(=O)Nc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(F)c1)N(C)C ZINC000820843339 607021232 /nfs/dbraw/zinc/02/12/32/607021232.db2.gz WPYOLZFJPUHBJB-KRWDZBQOSA-N 0 1 398.442 2.864 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586325 607114820 /nfs/dbraw/zinc/11/48/20/607114820.db2.gz SSNLJEABXRHOPA-UHFFFAOYSA-N 0 1 375.839 2.622 20 0 GFADMN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821586325 607114822 /nfs/dbraw/zinc/11/48/22/607114822.db2.gz SSNLJEABXRHOPA-UHFFFAOYSA-N 0 1 375.839 2.622 20 0 GFADMN Fc1ccc2c(c1)[C@@H](N1CCN(c3ncccc3-c3nn[nH]n3)CC1)CCC2 ZINC000826376285 607795100 /nfs/dbraw/zinc/79/51/00/607795100.db2.gz WKEMMFWLEKXZGR-SFHVURJKSA-N 0 1 379.443 2.600 20 0 GFADMN c1ccc2c(c1)CC[C@]21CN(CCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000826523113 607802927 /nfs/dbraw/zinc/80/29/27/607802927.db2.gz BAISCFNGBCWCDX-QFIPXVFZSA-N 0 1 391.475 2.810 20 0 GFADMN CCC1(CNc2nccnc2-c2nnn[n-]2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171294 607819998 /nfs/dbraw/zinc/81/99/98/607819998.db2.gz OEOMKWBVWHVADV-UHFFFAOYSA-N 0 1 378.484 2.761 20 0 GFADMN CCC1(CNc2nccnc2-c2nn[n-]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000825171294 607819999 /nfs/dbraw/zinc/81/99/99/607819999.db2.gz OEOMKWBVWHVADV-UHFFFAOYSA-N 0 1 378.484 2.761 20 0 GFADMN CC[C@](C)(NCc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1nc(C)cs1 ZINC000825043953 607925107 /nfs/dbraw/zinc/92/51/07/607925107.db2.gz LAEQXCMEMJRTIG-SFHVURJKSA-N 0 1 386.481 2.833 20 0 GFADMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826398653 607946620 /nfs/dbraw/zinc/94/66/20/607946620.db2.gz BDYRRSFCQYXCSB-LJQANCHMSA-N 0 1 388.475 2.811 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)cc1-c1nn[nH]n1 ZINC000826229422 608109142 /nfs/dbraw/zinc/10/91/42/608109142.db2.gz DHMVXQSSCLXYPS-BMIGLBTASA-N 0 1 396.476 2.743 20 0 GFADMN Cc1cccc2nc(CNC(=O)N[C@H](C)c3cccc(-c4nn[nH]n4)c3)[nH]c21 ZINC000826304706 608237344 /nfs/dbraw/zinc/23/73/44/608237344.db2.gz VKYRSUXWRNEHFO-GFCCVEGCSA-N 0 1 376.424 2.612 20 0 GFADMN Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc2n[nH]cc21 ZINC000826271158 608267825 /nfs/dbraw/zinc/26/78/25/608267825.db2.gz FXEQRFDMRNRNHO-UHFFFAOYSA-N 0 1 389.828 2.506 20 0 GFADMN COCOc1ccc(OC)cc1CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826163776 608309071 /nfs/dbraw/zinc/30/90/71/608309071.db2.gz KRORCYDSXYORCZ-UHFFFAOYSA-N 0 1 381.436 2.637 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000824764264 608417930 /nfs/dbraw/zinc/41/79/30/608417930.db2.gz UYEUGCNKJCFMKW-HNNXBMFYSA-N 0 1 388.479 2.622 20 0 GFADMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826283028 608436826 /nfs/dbraw/zinc/43/68/26/608436826.db2.gz IRYAGQKEIGIYRI-OAHLLOKOSA-N 0 1 385.493 2.608 20 0 GFADMN C[C@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(OC(F)F)c1 ZINC000824564126 608442161 /nfs/dbraw/zinc/44/21/61/608442161.db2.gz RYEZZZRLMNHKJZ-NSHDSACASA-N 0 1 388.378 2.757 20 0 GFADMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824333867 608453202 /nfs/dbraw/zinc/45/32/02/608453202.db2.gz OYWFONNWRKKKRV-AWEZNQCLSA-N 0 1 380.452 2.943 20 0 GFADMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139086 608455903 /nfs/dbraw/zinc/45/59/03/608455903.db2.gz BJUIVZZRXPJVIU-XJKSGUPXSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562028 608463571 /nfs/dbraw/zinc/46/35/71/608463571.db2.gz BPOWGJALAOLPMH-JTQLQIEISA-N 0 1 397.439 2.905 20 0 GFADMN CCCOc1ccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825338584 608464309 /nfs/dbraw/zinc/46/43/09/608464309.db2.gz DVXDQSNBZDSRIP-OAHLLOKOSA-N 0 1 394.479 2.623 20 0 GFADMN CC(C)CN(CC(F)(F)F)C(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824255658 608464628 /nfs/dbraw/zinc/46/46/28/608464628.db2.gz SHZNAWBXSYPQKB-GFCCVEGCSA-N 0 1 384.406 2.564 20 0 GFADMN c1c2ccccc2sc1CN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826524172 608518193 /nfs/dbraw/zinc/51/81/93/608518193.db2.gz LOYPDNMRGAJLDD-UHFFFAOYSA-N 0 1 377.477 2.799 20 0 GFADMN COc1ccc(C2(NCC(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000826189890 608521232 /nfs/dbraw/zinc/52/12/32/608521232.db2.gz IJJVSJKFXFLONS-UHFFFAOYSA-N 0 1 398.854 2.746 20 0 GFADMN C[C@H]([NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565154 608577896 /nfs/dbraw/zinc/57/78/96/608577896.db2.gz ZYXUPAHJKPKUBS-AWEZNQCLSA-N 0 1 394.483 2.549 20 0 GFADMN C[C@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CCCCC1 ZINC000824565154 608577897 /nfs/dbraw/zinc/57/78/97/608577897.db2.gz ZYXUPAHJKPKUBS-AWEZNQCLSA-N 0 1 394.483 2.549 20 0 GFADMN CC(C)(C)n1cc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000824148037 608584022 /nfs/dbraw/zinc/58/40/22/608584022.db2.gz KUFCLVRBKSMMQP-UHFFFAOYSA-N 0 1 380.500 2.531 20 0 GFADMN CC(=O)Nc1ccccc1CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824004973 608679590 /nfs/dbraw/zinc/67/95/90/608679590.db2.gz IFUUTOWWWYFXOB-UHFFFAOYSA-N 0 1 392.463 2.869 20 0 GFADMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)C2)cc(OC)c1 ZINC000826180710 608736172 /nfs/dbraw/zinc/73/61/72/608736172.db2.gz TVFIKBLZQLBVPJ-ZDUSSCGKSA-N 0 1 384.440 2.553 20 0 GFADMN COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)cc(OC)c1 ZINC000826180710 608736179 /nfs/dbraw/zinc/73/61/79/608736179.db2.gz TVFIKBLZQLBVPJ-ZDUSSCGKSA-N 0 1 384.440 2.553 20 0 GFADMN COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)o3)C2)cc(OC)c1 ZINC000826180710 608736181 /nfs/dbraw/zinc/73/61/81/608736181.db2.gz TVFIKBLZQLBVPJ-ZDUSSCGKSA-N 0 1 384.440 2.553 20 0 GFADMN CC(C)C[C@H](NCc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1nccs1 ZINC000824237901 608758686 /nfs/dbraw/zinc/75/86/86/608758686.db2.gz WLCXOTHWPGRGCK-LBPRGKRZSA-N 0 1 377.499 2.528 20 0 GFADMN C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000824547613 609169007 /nfs/dbraw/zinc/16/90/07/609169007.db2.gz QMAPQPGUHDLWBE-XIKOKIGWSA-N 0 1 398.417 2.991 20 0 GFADMN CCN(C(=O)[C@@H]1CCc2[nH]c(C)nc2C1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825366557 609268496 /nfs/dbraw/zinc/26/84/96/609268496.db2.gz BVTRZFYZJYFUIT-MLGOLLRUSA-N 0 1 379.468 2.613 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332361 609283211 /nfs/dbraw/zinc/28/32/11/609283211.db2.gz REZWNZGTTFGODE-SFHVURJKSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826332361 609283213 /nfs/dbraw/zinc/28/32/13/609283213.db2.gz REZWNZGTTFGODE-SFHVURJKSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332361 609283214 /nfs/dbraw/zinc/28/32/14/609283214.db2.gz REZWNZGTTFGODE-SFHVURJKSA-N 0 1 393.495 2.752 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826332361 609283216 /nfs/dbraw/zinc/28/32/16/609283216.db2.gz REZWNZGTTFGODE-SFHVURJKSA-N 0 1 393.495 2.752 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(C)C2CCCCCCC2)cc1-c1nn[nH]n1 ZINC000826229928 609298710 /nfs/dbraw/zinc/29/87/10/609298710.db2.gz XAAIZZIFUGZKRP-UHFFFAOYSA-N 0 1 376.486 2.874 20 0 GFADMN Cn1cc(CN[C@H]2CCOc3ccccc32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361200 609336155 /nfs/dbraw/zinc/33/61/55/609336155.db2.gz OVAPRYMVBQYIGN-SFHVURJKSA-N 0 1 387.447 2.881 20 0 GFADMN CC[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1c(C)noc1C ZINC000825139062 609417054 /nfs/dbraw/zinc/41/70/54/609417054.db2.gz AYDLGAKOTJYXMW-SJORKVTESA-N 0 1 395.467 2.708 20 0 GFADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000826256011 609423317 /nfs/dbraw/zinc/42/33/17/609423317.db2.gz RNNIEGLNZFHYIA-UHFFFAOYSA-N 0 1 391.428 2.902 20 0 GFADMN FC(F)(F)c1cc(SCCN2C[C@H]3CC[C@@H](C2)O3)ccc1-c1nn[nH]n1 ZINC000826368709 609451218 /nfs/dbraw/zinc/45/12/18/609451218.db2.gz ZDTFYBYIIGWARB-PHIMTYICSA-N 0 1 385.415 2.841 20 0 GFADMN Cc1cccc(CN2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826298281 609522274 /nfs/dbraw/zinc/52/22/74/609522274.db2.gz LQBYGHIKBKQIFH-UHFFFAOYSA-N 0 1 383.887 2.854 20 0 GFADMN Cc1ccc(F)c(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826289424 609600010 /nfs/dbraw/zinc/60/00/10/609600010.db2.gz ZRWFPTTYDRMLCM-GOSISDBHSA-N 0 1 380.427 2.599 20 0 GFADMN COCc1ncc(C(=O)Nc2cc(Br)cc(Cl)c2O)c(N)n1 ZINC000503222788 650416426 /nfs/dbraw/zinc/41/64/26/650416426.db2.gz FWJIWLAGHKAQPZ-UHFFFAOYSA-N 0 1 387.621 2.579 20 0 GFADMN CC(C)C[C@H](NC(=O)c1cccc(Br)c1O)C(=O)Nc1cc[nH]n1 ZINC000530643571 650728847 /nfs/dbraw/zinc/72/88/47/650728847.db2.gz ZWRUBFNSCSBTQW-LBPRGKRZSA-N 0 1 395.257 2.661 20 0 GFADMN COC(=O)[C@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ccn(C)n1 ZINC000817448099 660196069 /nfs/dbraw/zinc/19/60/69/660196069.db2.gz LUPLRJODDAKEPC-GFCCVEGCSA-N 0 1 392.189 2.849 20 0 GFADMN C[C@@H](CNC(=O)C(F)(F)c1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000817533263 660199665 /nfs/dbraw/zinc/19/96/65/660199665.db2.gz OLENXWKNLWYMGV-NSHDSACASA-N 0 1 380.266 2.837 20 0 GFADMN CCN1CC[C@H]2OCCN(C(=O)CSc3nc4ccccc4s3)[C@H]2C1 ZINC000818035548 660214510 /nfs/dbraw/zinc/21/45/10/660214510.db2.gz XICRBWCFADYWMO-LSDHHAIUSA-N 0 1 377.535 2.710 20 0 GFADMN CS(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000819256682 660252149 /nfs/dbraw/zinc/25/21/49/660252149.db2.gz OFRFOMGTUHTRNP-CYBMUJFWSA-N 0 1 379.425 2.994 20 0 GFADMN Cc1oc(Br)cc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000819522231 660261466 /nfs/dbraw/zinc/26/14/66/660261466.db2.gz NHPBQMDCFVBTDP-UHFFFAOYSA-N 0 1 397.191 2.881 20 0 GFADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1cccc(Br)c1 ZINC000820275073 660287297 /nfs/dbraw/zinc/28/72/97/660287297.db2.gz NAPMTGBIMOQXDL-JTQLQIEISA-N 0 1 378.230 2.779 20 0 GFADMN CS(C)(=O)=Nc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 ZINC000820378063 660291384 /nfs/dbraw/zinc/29/13/84/660291384.db2.gz CZTSBBLODQMUDZ-UHFFFAOYSA-N 0 1 381.479 2.670 20 0 GFADMN O=C(NC[C@H]1CCC(F)(F)C1)c1cnc(I)c(O)c1 ZINC000822627732 660350407 /nfs/dbraw/zinc/35/04/07/660350407.db2.gz MNIWJTNPCIKUQK-ZETCQYMHSA-N 0 1 382.148 2.557 20 0 GFADMN COCC(C)(C)CCCNC(=O)c1cnc(I)c(O)c1 ZINC000822939019 660358484 /nfs/dbraw/zinc/35/84/84/660358484.db2.gz DBXRNJNUEVCIOA-UHFFFAOYSA-N 0 1 392.237 2.574 20 0 GFADMN CC(C)Cn1[nH]c(CC(=O)N2CCc3c2cccc3Br)cc1=O ZINC000823096602 660361686 /nfs/dbraw/zinc/36/16/86/660361686.db2.gz JOBACMNRKCXGIZ-UHFFFAOYSA-N 0 1 378.270 2.727 20 0 GFADMN COc1ccc(Br)cc1C1(c2noc([C@H]3CNCCO3)n2)CC1 ZINC000823295443 660367658 /nfs/dbraw/zinc/36/76/58/660367658.db2.gz HMNPFQYGJNDYLJ-CYBMUJFWSA-N 0 1 380.242 2.582 20 0 GFADMN CN(Cc1ccc(F)c(Br)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564679 660397323 /nfs/dbraw/zinc/39/73/23/660397323.db2.gz MKCDHFMIBAMARR-LBPRGKRZSA-N 0 1 391.281 2.906 20 0 GFADMN CCn1ncc(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c1Br ZINC000825356117 660422715 /nfs/dbraw/zinc/42/27/15/660422715.db2.gz KHDNVJUWOJUBCF-OAHLLOKOSA-N 0 1 391.313 2.978 20 0 GFADMN CN(CCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)C1CCCC1 ZINC000826565502 660457190 /nfs/dbraw/zinc/45/71/90/660457190.db2.gz PMUODBSYKKZLMB-UHFFFAOYSA-N 0 1 378.416 2.584 20 0 GFADMN COc1ccc(Br)cc1OC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000826869266 660469210 /nfs/dbraw/zinc/46/92/10/660469210.db2.gz NDQOMXBVTUSOQZ-UHFFFAOYSA-N 0 1 383.242 2.752 20 0 GFADMN Cc1nc(SCC(C)C)sc1CC(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000828082183 660530976 /nfs/dbraw/zinc/53/09/76/660530976.db2.gz CSPMGCXMNSMDEA-UHFFFAOYSA-N 0 1 380.543 2.841 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000829227630 660585855 /nfs/dbraw/zinc/58/58/55/660585855.db2.gz APGPAFWEXCCLRL-INIZCTEOSA-N 0 1 387.307 2.598 20 0 GFADMN O=C(CCCc1nn[nH]n1)Nc1ccc(Br)c(Br)c1 ZINC000829299079 660588611 /nfs/dbraw/zinc/58/86/11/660588611.db2.gz QXZAEKPOLBVBQD-UHFFFAOYSA-N 0 1 389.051 2.686 20 0 GFADMN CN(C)C(=O)O[C@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000830488542 660659210 /nfs/dbraw/zinc/65/92/10/660659210.db2.gz XIBIOJHOALRKHF-STQMWFEESA-N 0 1 377.268 2.506 20 0 GFADMN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2c[nH]nc2Cl)C[N@H+]1Cc1ccccc1 ZINC000830935703 660687152 /nfs/dbraw/zinc/68/71/52/660687152.db2.gz UBWBZNGWKYNLPI-UKRRQHHQSA-N 0 1 382.917 2.642 20 0 GFADMN O=C(NCC1CN(C(=O)c2ccc(Br)c(Cl)c2)C1)C(F)(F)F ZINC000831139485 660698754 /nfs/dbraw/zinc/69/87/54/660698754.db2.gz 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CN1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1(C)C ZINC000517781814 564542164 /nfs/dbraw/zinc/54/21/64/564542164.db2.gz HWCROFQROXQRPC-UHFFFAOYSA-N 0 1 378.270 2.869 20 0 GFADMN Cc1nc(CNC(=O)N2C[C@H]3CCCCN3C[C@H]2C)sc1Br ZINC000455201503 564542672 /nfs/dbraw/zinc/54/26/72/564542672.db2.gz ANMJLHXUDUHALI-ZYHUDNBSSA-N 0 1 387.347 2.982 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)[C@H]1OC ZINC000482506394 564543425 /nfs/dbraw/zinc/54/34/25/564543425.db2.gz HXRNWPDJXSOMFP-GVDBMIGSSA-N 0 1 380.286 2.917 20 0 GFADMN COc1ccc(Br)c(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000548312887 564547965 /nfs/dbraw/zinc/54/79/65/564547965.db2.gz CHUKVJIXPFUQFQ-SNVBAGLBSA-N 0 1 395.219 2.958 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1CCCS(=O)(=O)C1 ZINC000482727366 564549006 /nfs/dbraw/zinc/54/90/06/564549006.db2.gz WRKNLKJRMXTTMP-OAHLLOKOSA-N 0 1 398.326 2.610 20 0 GFADMN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(Br)c1O ZINC000518272267 564549726 /nfs/dbraw/zinc/54/97/26/564549726.db2.gz LLCMZYYSSUNBRY-JTQLQIEISA-N 0 1 393.212 2.829 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1Cl)N1CCCC1 ZINC000548369379 564550331 /nfs/dbraw/zinc/55/03/31/564550331.db2.gz ZDCPCNSZRNTFNS-JTQLQIEISA-N 0 1 381.723 2.865 20 0 GFADMN CCC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F ZINC000482879906 564552824 /nfs/dbraw/zinc/55/28/24/564552824.db2.gz IWDCVBXZWLLVMQ-UHFFFAOYSA-N 0 1 386.309 2.574 20 0 GFADMN O=S1(=O)CC[C@H](NCCc2nccs2)c2cc(Br)ccc21 ZINC000548483850 564553927 /nfs/dbraw/zinc/55/39/27/564553927.db2.gz HOLXGIXNTXQESI-LBPRGKRZSA-N 0 1 387.324 2.956 20 0 GFADMN O=S1(=O)CC[C@H](NCCc2ccccn2)c2cc(Br)ccc21 ZINC000548490320 564553929 /nfs/dbraw/zinc/55/39/29/564553929.db2.gz FSQXJQXWBAEIMB-HNNXBMFYSA-N 0 1 381.295 2.895 20 0 GFADMN CSc1ncc(Cl)c(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000518484308 564554980 /nfs/dbraw/zinc/55/49/80/564554980.db2.gz QUQDKHNYBCRMQE-UHFFFAOYSA-N 0 1 378.820 2.706 20 0 GFADMN CSc1ncc(Cl)c(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC000518484308 564554984 /nfs/dbraw/zinc/55/49/84/564554984.db2.gz QUQDKHNYBCRMQE-UHFFFAOYSA-N 0 1 378.820 2.706 20 0 GFADMN C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C(=O)[O-] ZINC000571524190 564555339 /nfs/dbraw/zinc/55/53/39/564555339.db2.gz WQLXSADWJNPQRA-GXFFZTMASA-N 0 1 389.315 2.512 20 0 GFADMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000518619815 564558081 /nfs/dbraw/zinc/55/80/81/564558081.db2.gz HIZITJUWIULTHL-UHFFFAOYSA-N 0 1 378.897 2.647 20 0 GFADMN Cc1ccc(F)c(Br)c1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000455744783 564568760 /nfs/dbraw/zinc/56/87/60/564568760.db2.gz FMUOKYHZZNLBKF-LBPRGKRZSA-N 0 1 387.297 2.654 20 0 GFADMN COc1ccnc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)c1 ZINC000519136212 564570202 /nfs/dbraw/zinc/57/02/02/564570202.db2.gz TWUPBXFWUSRSLW-UHFFFAOYSA-N 0 1 394.244 2.954 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)Nc1nnc(OC)s1)c1ccccc1Cl ZINC000549014634 564583600 /nfs/dbraw/zinc/58/36/00/564583600.db2.gz RMWSGDTWCJQLLK-ZDUSSCGKSA-N 0 1 383.905 3.405 20 0 GFADMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C(=O)[O-] ZINC000519598940 564583682 /nfs/dbraw/zinc/58/36/82/564583682.db2.gz IQAHGCUOAXOXBX-ZYHUDNBSSA-N 0 1 387.249 2.959 20 0 GFADMN CC(C)CN1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000572237263 564586258 /nfs/dbraw/zinc/58/62/58/564586258.db2.gz CLXGEFTWXQOOEG-UHFFFAOYSA-N 0 1 380.290 2.902 20 0 GFADMN C[C@](N)(C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Br)cc1 ZINC000572365525 564591216 /nfs/dbraw/zinc/59/12/16/564591216.db2.gz WAYNGAKHMDGQQK-KCYZZUKISA-N 0 1 379.298 2.697 20 0 GFADMN CCO[C@H]1COCC[C@H]1NCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000484646576 564593898 /nfs/dbraw/zinc/59/38/98/564593898.db2.gz XVIMXYGNPRFFDQ-KGLIPLIRSA-N 0 1 382.309 2.551 20 0 GFADMN CC1(CO)CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1 ZINC000456229597 564596586 /nfs/dbraw/zinc/59/65/86/564596586.db2.gz JPVFDLMWZQWKLY-UHFFFAOYSA-N 0 1 380.853 2.814 20 0 GFADMN CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456371025 564603236 /nfs/dbraw/zinc/60/32/36/564603236.db2.gz MZGKPRCCKKSYQC-QWHCGFSZSA-N 0 1 384.318 2.953 20 0 GFADMN CN(C)c1nc2ccc(NC(=O)c3cc(I)c[nH]3)cc2[nH]1 ZINC000549776957 564605250 /nfs/dbraw/zinc/60/52/50/564605250.db2.gz LCLZEUOCRLBTMR-UHFFFAOYSA-N 0 1 395.204 2.814 20 0 GFADMN CSCc1cnc(CN[C@H](C)CCNS(=O)(=O)c2ccccc2)s1 ZINC000549821163 564606810 /nfs/dbraw/zinc/60/68/10/564606810.db2.gz OZIFBSJEMLSMEG-CYBMUJFWSA-N 0 1 385.580 2.853 20 0 GFADMN CC(C)(C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F)c1cnc[nH]1 ZINC000456478623 564609702 /nfs/dbraw/zinc/60/97/02/564609702.db2.gz DKCAUXGXMPPLCM-NSHDSACASA-N 0 1 398.276 2.556 20 0 GFADMN CCc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)ccc1C ZINC000549943440 564610759 /nfs/dbraw/zinc/61/07/59/564610759.db2.gz AHLFUJLSJVNNJH-UHFFFAOYSA-N 0 1 383.491 2.770 20 0 GFADMN Cc1nc(CNC[C@@H](O)COCc2cccs2)sc1Br ZINC000572870236 564614007 /nfs/dbraw/zinc/61/40/07/564614007.db2.gz HUSPIFZUUHBNHT-SNVBAGLBSA-N 0 1 377.329 2.943 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cc(C)c(Br)c(Cl)c2)C1 ZINC000550304661 564620214 /nfs/dbraw/zinc/62/02/14/564620214.db2.gz IQIARKHFXQMCSM-GFCCVEGCSA-N 0 1 375.694 2.861 20 0 GFADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000485587796 564620308 /nfs/dbraw/zinc/62/03/08/564620308.db2.gz AFUBGWSZOGYDGT-MAUKXSAKSA-N 0 1 381.973 2.983 20 0 GFADMN COc1ccnc(N2CCN(C(=O)Cc3cscc3Br)CC2)c1 ZINC000550738253 564630532 /nfs/dbraw/zinc/63/05/32/564630532.db2.gz VMECQSWUYZFHAW-UHFFFAOYSA-N 0 1 396.310 2.806 20 0 GFADMN CSC[C@H](O)CN[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000521611668 564631468 /nfs/dbraw/zinc/63/14/68/564631468.db2.gz GPQCARMLRXXORH-MJGOQNOKSA-N 0 1 379.547 2.801 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)CCN1C ZINC000551161461 564640025 /nfs/dbraw/zinc/64/00/25/564640025.db2.gz YSNCBGLBVWQLQN-NXEZZACHSA-N 0 1 381.723 2.864 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc(CO)c1 ZINC000486212564 564643906 /nfs/dbraw/zinc/64/39/06/564643906.db2.gz IMEQTPGROQNKJQ-UHFFFAOYSA-N 0 1 387.237 2.657 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc(CO)c1 ZINC000486212564 564643910 /nfs/dbraw/zinc/64/39/10/564643910.db2.gz IMEQTPGROQNKJQ-UHFFFAOYSA-N 0 1 387.237 2.657 20 0 GFADMN O=C1CC[C@H](NCc2cn(-c3ccc(Cl)cc3Cl)nn2)[C@@H](C2CC2)N1 ZINC000551270292 564644463 /nfs/dbraw/zinc/64/44/63/564644463.db2.gz FQCMJBIHBXEGKK-WMLDXEAASA-N 0 1 380.279 2.721 20 0 GFADMN CN(CC(F)(F)F)C(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000551417411 564649007 /nfs/dbraw/zinc/64/90/07/564649007.db2.gz AIODWTNBMSYKOI-ZDUSSCGKSA-N 0 1 380.208 2.906 20 0 GFADMN C[C@H](CNC(=O)CSc1cccc(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000522265545 564649246 /nfs/dbraw/zinc/64/92/46/564649246.db2.gz WWQUVKGJMSSGHU-CYBMUJFWSA-N 0 1 375.460 2.550 20 0 GFADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000457171328 564650196 /nfs/dbraw/zinc/65/01/96/564650196.db2.gz PYOHVYQUBQJQFD-UHFFFAOYSA-N 0 1 375.479 2.998 20 0 GFADMN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000522473989 564651808 /nfs/dbraw/zinc/65/18/08/564651808.db2.gz ZDTCLBGYTDIPRX-UHFFFAOYSA-N 0 1 376.459 2.580 20 0 GFADMN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1CCCC[C@@H]1O ZINC000573729382 564651817 /nfs/dbraw/zinc/65/18/17/564651817.db2.gz FXEQWOHDINPGHK-HIFRSBDPSA-N 0 1 389.359 3.000 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)CCN1C ZINC000486521248 564654843 /nfs/dbraw/zinc/65/48/43/564654843.db2.gz SHFOKMRLXUZHCA-AWEZNQCLSA-N 0 1 375.300 2.749 20 0 GFADMN C[S@@](=O)c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000522742839 564655650 /nfs/dbraw/zinc/65/56/50/564655650.db2.gz OWRVXDGLZJXCQG-HSZRJFAPSA-N 0 1 387.866 2.649 20 0 GFADMN Cn1ccc(Cc2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)n1 ZINC000573944459 564660869 /nfs/dbraw/zinc/66/08/69/564660869.db2.gz AFUVEXFDCCMGLE-UHFFFAOYSA-N 0 1 386.213 2.609 20 0 GFADMN Cc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000573945860 564660929 /nfs/dbraw/zinc/66/09/29/564660929.db2.gz UCXNOVZAVYEPJA-JTQLQIEISA-N 0 1 389.257 2.861 20 0 GFADMN CN(CC(=O)Nc1ccccc1Br)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000573978023 564662678 /nfs/dbraw/zinc/66/26/78/564662678.db2.gz BKLNVUFLGXLWGF-UHFFFAOYSA-N 0 1 382.302 2.578 20 0 GFADMN CN(CC(=O)Nc1ccccc1Br)C(=O)CN1CCC(C)(C)C1 ZINC000573978023 564662681 /nfs/dbraw/zinc/66/26/81/564662681.db2.gz BKLNVUFLGXLWGF-UHFFFAOYSA-N 0 1 382.302 2.578 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1Cl ZINC000486684873 564662847 /nfs/dbraw/zinc/66/28/47/564662847.db2.gz OHNYQXMTQSSYKM-ZWNOBZJWSA-N 0 1 379.309 2.717 20 0 GFADMN CCN1CCC[C@@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457537295 564664767 /nfs/dbraw/zinc/66/47/67/564664767.db2.gz DXQQMPQVVXSTFX-CQSZACIVSA-N 0 1 382.295 2.847 20 0 GFADMN CN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)c1cccs1 ZINC000523377905 564665771 /nfs/dbraw/zinc/66/57/71/564665771.db2.gz CBIRACQKABHSBQ-UHFFFAOYSA-N 0 1 375.841 2.897 20 0 GFADMN CCN(CC)C(=O)CN1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000552031168 564674788 /nfs/dbraw/zinc/67/47/88/564674788.db2.gz KKIKURWYOKDEOC-UHFFFAOYSA-N 0 1 385.961 2.783 20 0 GFADMN O=C([C@@H]1CCCCN1CCOc1cccc(Br)c1)N1CCOCC1 ZINC000524177350 564678331 /nfs/dbraw/zinc/67/83/31/564678331.db2.gz ZCXFLLROQQACOH-KRWDZBQOSA-N 0 1 397.313 2.541 20 0 GFADMN COC(=O)c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c(Br)c1 ZINC000552147159 564679324 /nfs/dbraw/zinc/67/93/24/564679324.db2.gz PBXZVBPFHVUVDO-FUHWJXTLSA-N 0 1 398.297 2.645 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)n[nH]1 ZINC000458024385 564684417 /nfs/dbraw/zinc/68/44/17/564684417.db2.gz HVDGSUNVMDBSFN-UHFFFAOYSA-N 0 1 391.269 2.957 20 0 GFADMN CCN1CCN(CC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000552397009 564689999 /nfs/dbraw/zinc/68/99/99/564689999.db2.gz NBBUVCKZIRXLKN-QGZVFWFLSA-N 0 1 388.339 2.825 20 0 GFADMN CS(=O)(=O)N1CC[C@@H](N[C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000575130068 564692358 /nfs/dbraw/zinc/69/23/58/564692358.db2.gz JIRXQQCPCOAISL-DOMZBBRYSA-N 0 1 391.306 2.663 20 0 GFADMN Cc1ccn2c(c1)ncc(C(=O)Nc1nc3ccc(Br)cc3[nH]1)c2=O ZINC000525213980 564695548 /nfs/dbraw/zinc/69/55/48/564695548.db2.gz HUNBCDYFRSYCRE-UHFFFAOYSA-N 0 1 398.220 2.894 20 0 GFADMN COc1ccc(OC)c(CNC[C@@H](O)COc2cccc(Br)c2)c1 ZINC000552810139 564701707 /nfs/dbraw/zinc/70/17/07/564701707.db2.gz NQCKJMOBOFQQNS-OAHLLOKOSA-N 0 1 396.281 2.996 20 0 GFADMN C[C@@](O)(C(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)C1CC1 ZINC000552807590 564701809 /nfs/dbraw/zinc/70/18/09/564701809.db2.gz LYENFSFJOYDXPX-INIZCTEOSA-N 0 1 384.454 2.788 20 0 GFADMN C[C@@H]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000576177656 564706514 /nfs/dbraw/zinc/70/65/14/564706514.db2.gz OJVVRHALAPQPPV-SNVBAGLBSA-N 0 1 381.723 2.723 20 0 GFADMN CCOC(=O)C[C@@H](C)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458606332 564708354 /nfs/dbraw/zinc/70/83/54/564708354.db2.gz ZUGKINOQUPRVPM-SNVBAGLBSA-N 0 1 397.273 2.714 20 0 GFADMN CCN(Cc1cccc(Br)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000488280539 564709426 /nfs/dbraw/zinc/70/94/26/564709426.db2.gz MHOLTUBEBGPOEJ-MRXNPFEDSA-N 0 1 377.286 2.810 20 0 GFADMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(I)cc2)C[C@H]1C ZINC000488784958 564720100 /nfs/dbraw/zinc/72/01/00/564720100.db2.gz MISVYMWPLPVPOY-CHWSQXEVSA-N 0 1 386.277 2.775 20 0 GFADMN CCc1nc(CNC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)n[nH]1 ZINC000458870263 564721601 /nfs/dbraw/zinc/72/16/01/564721601.db2.gz IONVGKCVDXZDRA-LBPRGKRZSA-N 0 1 394.273 2.795 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000488841324 564721838 /nfs/dbraw/zinc/72/18/38/564721838.db2.gz QDCWCKIHYSLLMZ-CYBMUJFWSA-N 0 1 392.297 2.725 20 0 GFADMN C[C@@H]1CC[S@](=O)CCN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000577170196 564726972 /nfs/dbraw/zinc/72/69/72/564726972.db2.gz WLTJONPJCCRRFH-MBAJFKDKSA-N 0 1 383.583 2.684 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)n[nH]1 ZINC000553618529 564729869 /nfs/dbraw/zinc/72/98/69/564729869.db2.gz TVRGQYSPQUGJJU-SSDOTTSWSA-N 0 1 376.214 2.620 20 0 GFADMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000553692300 564732202 /nfs/dbraw/zinc/73/22/02/564732202.db2.gz FBTRVCVHDLVKED-LBPRGKRZSA-N 0 1 388.249 2.601 20 0 GFADMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000553692300 564732203 /nfs/dbraw/zinc/73/22/03/564732203.db2.gz FBTRVCVHDLVKED-LBPRGKRZSA-N 0 1 388.249 2.601 20 0 GFADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cncc(I)c2)n[nH]1 ZINC000489201770 564732620 /nfs/dbraw/zinc/73/26/20/564732620.db2.gz DCCVFOHTRUUIKM-IUCAKERBSA-N 0 1 399.236 2.809 20 0 GFADMN Cc1cc(CNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1Br ZINC000459163103 564733209 /nfs/dbraw/zinc/73/32/09/564733209.db2.gz AZBHSPNXFGNEIG-AWEZNQCLSA-N 0 1 398.345 2.744 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3cccc(OC)c3CC2)c1Br ZINC000577318239 564734714 /nfs/dbraw/zinc/73/47/14/564734714.db2.gz WXDXUYPGDDFBMM-UHFFFAOYSA-N 0 1 378.270 2.984 20 0 GFADMN COC(=O)C[C@@H]1CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459214727 564736691 /nfs/dbraw/zinc/73/66/91/564736691.db2.gz ODCRARRWRIYHFH-JTQLQIEISA-N 0 1 395.257 2.563 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)NCC1(O)CCCCC1 ZINC000459219295 564736770 /nfs/dbraw/zinc/73/67/70/564736770.db2.gz RPKYLBVAHYZZSG-UHFFFAOYSA-N 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COc1cccc(C[C@@H](N)C(=O)NCc2ccc(OC)c(Br)c2)c1 ZINC000637972741 565179139 /nfs/dbraw/zinc/17/91/39/565179139.db2.gz QSPAOSJUBQGGBD-MRXNPFEDSA-N 0 1 393.281 2.653 20 0 GFADMN CCCCNC(=O)[C@H]1CCCN(Cc2cnn3cc(Br)cnc23)C1 ZINC000637991336 565179614 /nfs/dbraw/zinc/17/96/14/565179614.db2.gz LOKSWDQWWMIBPX-ZDUSSCGKSA-N 0 1 394.317 2.620 20 0 GFADMN CN(CC(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)[C@H]1CCSC1 ZINC000616081098 565189431 /nfs/dbraw/zinc/18/94/31/565189431.db2.gz SCSPKJSTKAJTNA-GOEBONIOSA-N 0 1 377.337 2.754 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)c2nn(C(C)(C)C)cc2Br)n[nH]1 ZINC000616221625 565194669 /nfs/dbraw/zinc/19/46/69/565194669.db2.gz JLQZZIMZOHLSMY-UHFFFAOYSA-N 0 1 383.294 2.746 20 0 GFADMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(Br)c3C)C2)CC1 ZINC000616324018 565197058 /nfs/dbraw/zinc/19/70/58/565197058.db2.gz FPUUCDDRZZFABI-MRXNPFEDSA-N 0 1 394.357 2.918 20 0 GFADMN Cc1cc(Br)c(Cl)cc1NC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000659082411 565200390 /nfs/dbraw/zinc/20/03/90/565200390.db2.gz 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C[C@@H]1CN(c2ncnc3cc(I)sc32)[C@H](C)CN1C ZINC000593471097 565334643 /nfs/dbraw/zinc/33/46/43/565334643.db2.gz XZTRGAFYSFVKGP-RKDXNWHRSA-N 0 1 388.278 2.825 20 0 GFADMN CC[C@H](C)NC(=O)[C@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640900848 565335202 /nfs/dbraw/zinc/33/52/02/565335202.db2.gz CXERJIAJPXSXQZ-ZIBATOQPSA-N 0 1 380.290 2.564 20 0 GFADMN CC[C@@H]1CN(C)CCN1c1ncnc2cc(I)sc21 ZINC000593475469 565335323 /nfs/dbraw/zinc/33/53/23/565335323.db2.gz GDPDBDRXRLFACH-SECBINFHSA-N 0 1 388.278 2.826 20 0 GFADMN CCC[C@H](C)NC(=O)[C@H](C)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000640909344 565335990 /nfs/dbraw/zinc/33/59/90/565335990.db2.gz PUSNFFHMVLVCDE-MKBNYLNASA-N 0 1 394.317 2.955 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000662053936 565347073 /nfs/dbraw/zinc/34/70/73/565347073.db2.gz BTYLSFDJXXBGRR-KGLIPLIRSA-N 0 1 394.313 2.720 20 0 GFADMN C[S@](=O)c1ccc(CNC(=O)c2cc(Br)cc3nc[nH]c32)cc1 ZINC000619725207 565356392 /nfs/dbraw/zinc/35/63/92/565356392.db2.gz 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C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000620910033 565400347 /nfs/dbraw/zinc/40/03/47/565400347.db2.gz LYOACVOKJASYIT-AWEZNQCLSA-N 0 1 397.313 2.870 20 0 GFADMN COC(=O)c1cc(CNCCNC(=O)c2ccc(Br)cc2)c(C)o1 ZINC000594598925 565402063 /nfs/dbraw/zinc/40/20/63/565402063.db2.gz DIERBVZXGRHTAF-UHFFFAOYSA-N 0 1 395.253 2.657 20 0 GFADMN C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CC[NH2+]C1 ZINC000663313399 565411416 /nfs/dbraw/zinc/41/14/16/565411416.db2.gz ZVPJTSCYAPMJIC-LLVKDONJSA-N 0 1 388.114 2.786 20 0 GFADMN Cc1cc(S(=O)(=O)NCCN2CCC[C@@H](C)C2)ccc1Br ZINC000642523597 565413417 /nfs/dbraw/zinc/41/34/17/565413417.db2.gz YRKGIUYFWUXQMP-GFCCVEGCSA-N 0 1 375.332 2.768 20 0 GFADMN CN1CCN(C(C)(C)CNC(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000643222006 565425695 /nfs/dbraw/zinc/42/56/95/565425695.db2.gz NWYKJHKDUPYKTG-UHFFFAOYSA-N 0 1 387.355 2.861 20 0 GFADMN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000594915894 565436312 /nfs/dbraw/zinc/43/63/12/565436312.db2.gz 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0 1 386.473 2.600 20 0 GFADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000827361622 601104423 /nfs/dbraw/zinc/10/44/23/601104423.db2.gz CYHOHHFWLMYXGW-MRXNPFEDSA-N 0 1 386.492 2.536 20 0 GFADMN CN(C[C@@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)[O-])CCO1)c1cccnn1 ZINC000737413462 601113887 /nfs/dbraw/zinc/11/38/87/601113887.db2.gz OIMCBHDGMYYSHJ-CQSZACIVSA-N 0 1 398.488 2.727 20 0 GFADMN CN(C[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)[O-])CCO1)c1cccnn1 ZINC000737413462 601113889 /nfs/dbraw/zinc/11/38/89/601113889.db2.gz OIMCBHDGMYYSHJ-CQSZACIVSA-N 0 1 398.488 2.727 20 0 GFADMN CN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000830682083 601116282 /nfs/dbraw/zinc/11/62/82/601116282.db2.gz OORLEVMFYCSQIH-FQEVSTJZSA-N 0 1 381.476 2.920 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828369548 601126592 /nfs/dbraw/zinc/12/65/92/601126592.db2.gz LMAKRQUJSJLDJL-JXFKEZNVSA-N 0 1 397.475 2.585 20 0 GFADMN C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828369548 601126594 /nfs/dbraw/zinc/12/65/94/601126594.db2.gz LMAKRQUJSJLDJL-JXFKEZNVSA-N 0 1 397.475 2.585 20 0 GFADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000829381506 601162043 /nfs/dbraw/zinc/16/20/43/601162043.db2.gz VUIQYOUQOKAASB-UHFFFAOYSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826031913 601172262 /nfs/dbraw/zinc/17/22/62/601172262.db2.gz WHESEXHMGKUWDO-RBDMOPTHSA-N 0 1 396.487 2.856 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000826031913 601172263 /nfs/dbraw/zinc/17/22/63/601172263.db2.gz WHESEXHMGKUWDO-RBDMOPTHSA-N 0 1 396.487 2.856 20 0 GFADMN O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000833174959 601184304 /nfs/dbraw/zinc/18/43/04/601184304.db2.gz ZVBWDDLZWCUEEI-HXUWFJFHSA-N 0 1 388.414 2.868 20 0 GFADMN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000830585104 601222970 /nfs/dbraw/zinc/22/29/70/601222970.db2.gz PEVAXOUICHOODG-VRQAPCGNSA-N 0 1 392.452 2.505 20 0 GFADMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000248876647 601250935 /nfs/dbraw/zinc/25/09/35/601250935.db2.gz MQVPYRFWGPOYLI-TVQRCGJNSA-N 0 1 395.308 2.652 20 0 GFADMN C[C@@H](CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000379637860 601261052 /nfs/dbraw/zinc/26/10/52/601261052.db2.gz RISSTXPMYOAKPT-INIZCTEOSA-N 0 1 390.505 2.715 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000398074638 601264576 /nfs/dbraw/zinc/26/45/76/601264576.db2.gz FIJOFOLHHTUVBR-BEFAXECRSA-N 0 1 388.489 2.574 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000398095700 601264800 /nfs/dbraw/zinc/26/48/00/601264800.db2.gz KLJJJUXAZWJZGD-CZUORRHYSA-N 0 1 394.518 2.635 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000832914116 601377110 /nfs/dbraw/zinc/37/71/10/601377110.db2.gz ARGDTNAHNVOUEV-UKRRQHHQSA-N 0 1 376.453 2.684 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000832914116 601377112 /nfs/dbraw/zinc/37/71/12/601377112.db2.gz ARGDTNAHNVOUEV-UKRRQHHQSA-N 0 1 376.453 2.684 20 0 GFADMN CCOC[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000829989531 601379701 /nfs/dbraw/zinc/37/97/01/601379701.db2.gz HAFOXBGHBFTYGL-CHWSQXEVSA-N 0 1 380.510 2.868 20 0 GFADMN CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC000829989531 601379702 /nfs/dbraw/zinc/37/97/02/601379702.db2.gz HAFOXBGHBFTYGL-CHWSQXEVSA-N 0 1 380.510 2.868 20 0 GFADMN O=C([O-])c1nn(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccccc21 ZINC000833129395 601397540 /nfs/dbraw/zinc/39/75/40/601397540.db2.gz BGNJTFFBLNLMBW-UHFFFAOYSA-N 0 1 396.422 2.726 20 0 GFADMN O=C([O-])c1nn(C[NH+]2CCC(NC(=O)Oc3ccccc3)CC2)c2ccccc21 ZINC000833129667 601399554 /nfs/dbraw/zinc/39/95/54/601399554.db2.gz PMGDCDOUUYKRIO-UHFFFAOYSA-N 0 1 394.431 2.945 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])oc3CC)C2)o1 ZINC000830290448 601422314 /nfs/dbraw/zinc/42/23/14/601422314.db2.gz QPWMSKFQYRXFOL-HNNXBMFYSA-N 0 1 389.452 2.714 20 0 GFADMN COc1cccc(COC[C@H](O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000563454268 601432831 /nfs/dbraw/zinc/43/28/31/601432831.db2.gz CXMZCASPDVMCGR-SFHLNBCPSA-N 0 1 391.508 2.928 20 0 GFADMN CCOC(=O)c1nn(C[N@@H+](CC)CCC(=O)[O-])c2ccc(Br)cc12 ZINC000829894994 601433378 /nfs/dbraw/zinc/43/33/78/601433378.db2.gz AJJJIGVPKXLMGR-UHFFFAOYSA-N 0 1 398.257 2.730 20 0 GFADMN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c12 ZINC000833001556 601434986 /nfs/dbraw/zinc/43/49/86/601434986.db2.gz ICAZQHSFGQOFLR-CQSZACIVSA-N 0 1 390.509 2.697 20 0 GFADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000833181132 601435190 /nfs/dbraw/zinc/43/51/90/601435190.db2.gz ZXLSHMGYMLTSOP-IRXDYDNUSA-N 0 1 376.522 2.988 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1OCC(=O)[O-] ZINC000830032566 601441859 /nfs/dbraw/zinc/44/18/59/601441859.db2.gz LIJFCGXHPQFPGJ-UHFFFAOYSA-N 0 1 390.480 2.639 20 0 GFADMN C[C@H](CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000828259569 601489021 /nfs/dbraw/zinc/48/90/21/601489021.db2.gz YKVMBJGKXROAGD-NWDGAFQWSA-N 0 1 393.509 2.641 20 0 GFADMN CCC[C@@H]1C[N@H+](Cc2occc2C(=O)[O-])CCN1Cc1occc1C(=O)OC ZINC000829266516 601554985 /nfs/dbraw/zinc/55/49/85/601554985.db2.gz JTNYJEFPPTVBDH-CQSZACIVSA-N 0 1 390.436 2.844 20 0 GFADMN CCC[C@@H]1C[N@@H+](Cc2occc2C(=O)[O-])CCN1Cc1occc1C(=O)OC ZINC000829266516 601554988 /nfs/dbraw/zinc/55/49/88/601554988.db2.gz JTNYJEFPPTVBDH-CQSZACIVSA-N 0 1 390.436 2.844 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]3CN(Cc4ccnc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000826521294 607515585 /nfs/dbraw/zinc/51/55/85/607515585.db2.gz HDGHBRAYFGDIJP-PZJWPPBQSA-N 0 1 389.507 2.748 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4ccnc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000826521294 607515588 /nfs/dbraw/zinc/51/55/88/607515588.db2.gz HDGHBRAYFGDIJP-PZJWPPBQSA-N 0 1 389.507 2.748 20 0 GFADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000833032674 601630981 /nfs/dbraw/zinc/63/09/81/601630981.db2.gz LLBMOWHMPUVOJA-NSHDSACASA-N 0 1 376.482 2.894 20 0 GFADMN C[C@@H](OCc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827879975 601728543 /nfs/dbraw/zinc/72/85/43/601728543.db2.gz XQSQSIDCMZLHEK-WZONZLPQSA-N 0 1 396.487 2.827 20 0 GFADMN COc1cc(OC)cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000832033816 601729426 /nfs/dbraw/zinc/72/94/26/601729426.db2.gz HCNLODFEJCRKBB-JOCHJYFZSA-N 0 1 398.459 2.553 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)CSCc2ccncc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833116065 601729988 /nfs/dbraw/zinc/72/99/88/601729988.db2.gz RNXWVGDYRFEZGQ-OAQYLSRUSA-N 0 1 399.516 2.550 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000833193939 601800421 /nfs/dbraw/zinc/80/04/21/601800421.db2.gz QVDDXJAYLNIACI-LJQANCHMSA-N 0 1 378.428 2.574 20 0 GFADMN O=C([O-])CCC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000659774080 601818980 /nfs/dbraw/zinc/81/89/80/601818980.db2.gz GQJJXTKULUOZDI-IBGZPJMESA-N 0 1 376.522 2.880 20 0 GFADMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccsc3C(=O)[O-])C2)o1 ZINC000830290827 601834616 /nfs/dbraw/zinc/83/46/16/601834616.db2.gz YSRVCMWLPUCEDV-AWEZNQCLSA-N 0 1 377.466 2.620 20 0 GFADMN Cc1cc(NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)n(-c2ccc(F)cc2)n1 ZINC000662217580 601845384 /nfs/dbraw/zinc/84/53/84/601845384.db2.gz GCHQTRBDZSCDRM-UHFFFAOYSA-N 0 1 388.443 2.835 20 0 GFADMN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000830756033 601880544 /nfs/dbraw/zinc/88/05/44/601880544.db2.gz RFJWYKYFOKJUTM-ZDUSSCGKSA-N 0 1 393.509 2.595 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000568771870 601891467 /nfs/dbraw/zinc/89/14/67/601891467.db2.gz FWNDIVLRHOCCLB-OALUTQOASA-N 0 1 387.501 2.985 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CC1)C(=O)[O-] ZINC000827449858 601917532 /nfs/dbraw/zinc/91/75/32/601917532.db2.gz PBLZUYQBHYGDLA-SNVBAGLBSA-N 0 1 389.315 2.654 20 0 GFADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827622417 601920711 /nfs/dbraw/zinc/92/07/11/601920711.db2.gz KMHOXETZTNNLBU-GUTXKFCHSA-N 0 1 376.478 2.891 20 0 GFADMN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827622417 601920712 /nfs/dbraw/zinc/92/07/12/601920712.db2.gz KMHOXETZTNNLBU-GUTXKFCHSA-N 0 1 376.478 2.891 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738838320 601923478 /nfs/dbraw/zinc/92/34/78/601923478.db2.gz YMBKYZDQKMQGBL-UONOGXRCSA-N 0 1 379.423 2.783 20 0 GFADMN CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738838320 601923481 /nfs/dbraw/zinc/92/34/81/601923481.db2.gz 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C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739610014 602062921 /nfs/dbraw/zinc/06/29/21/602062921.db2.gz ZQNIYXGMZGGWFI-XJKSGUPXSA-N 0 1 382.892 2.632 20 0 GFADMN C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263311038 602084408 /nfs/dbraw/zinc/08/44/08/602084408.db2.gz YRDXTQNHXKGTAU-NRFANRHFSA-N 0 1 385.464 2.918 20 0 GFADMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263311038 602084412 /nfs/dbraw/zinc/08/44/12/602084412.db2.gz YRDXTQNHXKGTAU-NRFANRHFSA-N 0 1 385.464 2.918 20 0 GFADMN CCC[C@](C)(NC(=O)[O-])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000739293150 602132465 /nfs/dbraw/zinc/13/24/65/602132465.db2.gz XDWOKXIUZYRLFF-IBGZPJMESA-N 0 1 383.439 2.872 20 0 GFADMN O=C([O-])N1CCC[C@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000740517297 602164454 /nfs/dbraw/zinc/16/44/54/602164454.db2.gz OMMUTTHZNCYIAF-GOSISDBHSA-N 0 1 380.533 2.674 20 0 GFADMN C[C@@H](CNC(=O)NCc1ccc(CCNC(=O)[O-])cc1)[N@H+]1CCCC[C@H]1C 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382.530 2.572 20 0 GFADMN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000739027432 602451330 /nfs/dbraw/zinc/45/13/30/602451330.db2.gz NTKPDHWSGMFNRJ-HNNXBMFYSA-N 0 1 391.516 2.770 20 0 GFADMN O=C([O-])N1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000740510264 602452436 /nfs/dbraw/zinc/45/24/36/602452436.db2.gz GAJRINGCTVSBHZ-CYBMUJFWSA-N 0 1 383.851 2.627 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000739175783 602455789 /nfs/dbraw/zinc/45/57/89/602455789.db2.gz LAFDMNNTIBHCKG-JZXOWHBKSA-N 0 1 391.512 2.780 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000739175783 602455790 /nfs/dbraw/zinc/45/57/90/602455790.db2.gz LAFDMNNTIBHCKG-JZXOWHBKSA-N 0 1 391.512 2.780 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+](CC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000737939846 602531528 /nfs/dbraw/zinc/53/15/28/602531528.db2.gz QGFQBDKISZUCSC-UHFFFAOYSA-N 0 1 389.496 2.698 20 0 GFADMN 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XYCZXNNHHARRKR-BXUZGUMPSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740050351 602766543 /nfs/dbraw/zinc/76/65/43/602766543.db2.gz XYCZXNNHHARRKR-BXUZGUMPSA-N 0 1 384.274 2.674 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739507522 602791155 /nfs/dbraw/zinc/79/11/55/602791155.db2.gz UULCOGCGLJPRGS-XIRDDKMYSA-N 0 1 377.485 2.631 20 0 GFADMN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739507522 602791159 /nfs/dbraw/zinc/79/11/59/602791159.db2.gz UULCOGCGLJPRGS-XIRDDKMYSA-N 0 1 377.485 2.631 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1Br ZINC000740084111 602800848 /nfs/dbraw/zinc/80/08/48/602800848.db2.gz IYKVPOBHUANYED-BXUZGUMPSA-N 0 1 384.274 2.674 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1Br ZINC000740084111 602800850 /nfs/dbraw/zinc/80/08/50/602800850.db2.gz IYKVPOBHUANYED-BXUZGUMPSA-N 0 1 384.274 2.674 20 0 GFADMN C[NH+]1CCC(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)(N2CCCCC2)CC1 ZINC000739729073 602816393 /nfs/dbraw/zinc/81/63/93/602816393.db2.gz DHNQTVYIUVKCHW-UHFFFAOYSA-N 0 1 392.475 2.596 20 0 GFADMN O=C([O-])NCCc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000740671075 602911822 /nfs/dbraw/zinc/91/18/22/602911822.db2.gz OGIDZIIMTKAJKA-UHFFFAOYSA-N 0 1 388.512 2.657 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)NCCN(C(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739082055 602912583 /nfs/dbraw/zinc/91/25/83/602912583.db2.gz KMCDWTCYKHJVJZ-VQIMIIECSA-N 0 1 388.512 2.823 20 0 GFADMN C[C@@H](c1ccc(NC(=O)NCC2CCN(C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739059101 603030561 /nfs/dbraw/zinc/03/05/61/603030561.db2.gz SBEYUVQMKTUJCV-HNNXBMFYSA-N 0 1 390.484 2.591 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC(CNC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739056417 603030589 /nfs/dbraw/zinc/03/05/89/603030589.db2.gz JQQOOBARPRPNQM-HNNXBMFYSA-N 0 1 390.484 2.591 20 0 GFADMN CCC[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739308080 603133684 /nfs/dbraw/zinc/13/36/84/603133684.db2.gz ARYAUNMFEXUSIJ-LSDHHAIUSA-N 0 1 387.402 2.832 20 0 GFADMN C[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694048 603295564 /nfs/dbraw/zinc/29/55/64/603295564.db2.gz OHWATYZNGZWRPL-JXFKEZNVSA-N 0 1 381.476 2.806 20 0 GFADMN C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[C@H]1NC(=O)[O-] ZINC000739126761 603330140 /nfs/dbraw/zinc/33/01/40/603330140.db2.gz MLWFFYIKPJRERI-UWWQBHOKSA-N 0 1 377.460 2.542 20 0 GFADMN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740302414 603330837 /nfs/dbraw/zinc/33/08/37/603330837.db2.gz TWWQPXRBBRIVOD-GJZGRUSLSA-N 0 1 391.516 2.653 20 0 GFADMN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740302414 603330841 /nfs/dbraw/zinc/33/08/41/603330841.db2.gz TWWQPXRBBRIVOD-GJZGRUSLSA-N 0 1 391.516 2.653 20 0 GFADMN C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694616 603391268 /nfs/dbraw/zinc/39/12/68/603391268.db2.gz RYZBNOXQGIQDSI-KSSFIOAISA-N 0 1 387.505 2.867 20 0 GFADMN C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694616 603391269 /nfs/dbraw/zinc/39/12/69/603391269.db2.gz RYZBNOXQGIQDSI-KSSFIOAISA-N 0 1 387.505 2.867 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)C1 ZINC000825639330 603391875 /nfs/dbraw/zinc/39/18/75/603391875.db2.gz SAUWUQRNRSOODW-AHRSYUTCSA-N 0 1 381.476 2.990 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000736941656 603417795 /nfs/dbraw/zinc/41/77/95/603417795.db2.gz ZKDRIWCRXUDUTG-AWEZNQCLSA-N 0 1 390.484 2.732 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825795854 603483756 /nfs/dbraw/zinc/48/37/56/603483756.db2.gz YKFKOWAYQPAXJA-QXCFHYIPSA-N 0 1 388.512 2.775 20 0 GFADMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826087293 603538296 /nfs/dbraw/zinc/53/82/96/603538296.db2.gz 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CCN(CCNC(=O)N1CC[C@](OC)(C(F)(F)F)C1)CCC(F)(F)F ZINC000883646670 663058750 /nfs/dbraw/zinc/05/87/50/663058750.db2.gz YEKMCKHFUUMIHH-GFCCVEGCSA-N 0 1 379.345 2.624 20 0 GFADMN N[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000884051323 663064232 /nfs/dbraw/zinc/06/42/32/663064232.db2.gz BTNMOTJQNKWUQM-KRWDZBQOSA-N 0 1 391.265 2.579 20 0 GFADMN COCCOc1cccc(CNC(=O)[C@H](N)c2ccc(Br)cc2)c1 ZINC000884082195 663064667 /nfs/dbraw/zinc/06/46/67/663064667.db2.gz XXXALULNKSQWRE-QGZVFWFLSA-N 0 1 393.281 2.791 20 0 GFADMN CCC[C@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884112384 663065433 /nfs/dbraw/zinc/06/54/33/663065433.db2.gz KUSYSEKNMZADLA-KBPBESRZSA-N 0 1 381.325 2.713 20 0 GFADMN N[C@@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000884185118 663066789 /nfs/dbraw/zinc/06/67/89/663066789.db2.gz LNQPQKURSOPBIL-CYBMUJFWSA-N 0 1 394.235 2.592 20 0 GFADMN Cn1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c(Br)n1 ZINC000884279571 663068078 /nfs/dbraw/zinc/06/80/78/663068078.db2.gz 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GFADMN CSCc1n[nH]c(CNC(=O)CCOc2ccccc2Br)n1 ZINC000894608386 663471702 /nfs/dbraw/zinc/47/17/02/663471702.db2.gz NBBHUVAIXHFGTK-UHFFFAOYSA-N 0 1 385.287 2.516 20 0 GFADMN CSCc1nnc(CNC(=O)CCOc2ccccc2Br)[nH]1 ZINC000894608386 663471703 /nfs/dbraw/zinc/47/17/03/663471703.db2.gz NBBHUVAIXHFGTK-UHFFFAOYSA-N 0 1 385.287 2.516 20 0 GFADMN CSCc1n[nH]c(CNC(=O)CCCOc2ccccc2Br)n1 ZINC000894609475 663472035 /nfs/dbraw/zinc/47/20/35/663472035.db2.gz XQHUGZMFHWKELV-UHFFFAOYSA-N 0 1 399.314 2.906 20 0 GFADMN CSCc1nnc(CNC(=O)CCCOc2ccccc2Br)[nH]1 ZINC000894609475 663472038 /nfs/dbraw/zinc/47/20/38/663472038.db2.gz XQHUGZMFHWKELV-UHFFFAOYSA-N 0 1 399.314 2.906 20 0 GFADMN Cn1nc(Br)nc1CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000894860227 663485308 /nfs/dbraw/zinc/48/53/08/663485308.db2.gz FLUVTWSWLBETGV-UHFFFAOYSA-N 0 1 383.265 2.598 20 0 GFADMN NC(=O)OC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000894905407 663487647 /nfs/dbraw/zinc/48/76/47/663487647.db2.gz ZVZXOTCAOMIWLJ-ZDUSSCGKSA-N 0 1 380.242 2.760 20 0 GFADMN Cc1cc(Br)cn2c(CN3CCC4(CC3)COCCO4)cnc12 ZINC000895696285 663523858 /nfs/dbraw/zinc/52/38/58/663523858.db2.gz RNYIOUAXFGGAIF-UHFFFAOYSA-N 0 1 380.286 2.787 20 0 GFADMN Cc1nc(CNC(=O)N[C@@H]2CSCc3ccc(Br)cc32)n[nH]1 ZINC000895769073 663527051 /nfs/dbraw/zinc/52/70/51/663527051.db2.gz MWKHSKYHCBEIJW-GFCCVEGCSA-N 0 1 382.287 2.663 20 0 GFADMN C[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1Cl)[C@H]1CN(C)CCN1C ZINC000896534165 663562192 /nfs/dbraw/zinc/56/21/92/663562192.db2.gz KSWZSHFSQDNSNZ-GXFFZTMASA-N 0 1 380.266 2.836 20 0 GFADMN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)[C@@H]1CN(C)CCN1C ZINC000896569288 663564965 /nfs/dbraw/zinc/56/49/65/663564965.db2.gz SROYLDHVWGWQGF-WBMJQRKESA-N 0 1 390.380 2.977 20 0 GFADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cn(C)nc2Br)CC1 ZINC000897157790 663593649 /nfs/dbraw/zinc/59/36/49/663593649.db2.gz OGTCVNAOFDSGMY-LBPRGKRZSA-N 0 1 392.301 2.533 20 0 GFADMN C[C@H]1CCc2n[nH]c(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)c2C1 ZINC000897804711 663621153 /nfs/dbraw/zinc/62/11/53/663621153.db2.gz ACBGWQNQMABQEQ-BHDSKKPTSA-N 0 1 379.507 2.633 20 0 GFADMN COC(=O)C[C@H](NCc1ncc(I)s1)C(C)(C)C ZINC000897889644 663624514 /nfs/dbraw/zinc/62/45/14/663624514.db2.gz WNUWZCKTPDJEGC-QMMMGPOBSA-N 0 1 382.267 2.815 20 0 GFADMN CO[C@H](CN[C@H]1Cc2cc(Br)cnc2NC1=O)Cc1ccccc1 ZINC000897977421 663628029 /nfs/dbraw/zinc/62/80/29/663628029.db2.gz FYLFRNNPSYQAGE-HOTGVXAUSA-N 0 1 390.281 2.555 20 0 GFADMN C[C@H](N[C@@H](CO)c1ccccc1I)[C@@H]1CCCCO1 ZINC000898511846 663653538 /nfs/dbraw/zinc/65/35/38/663653538.db2.gz GHOOMYAULJGZFK-CQDKDKBSSA-N 0 1 375.250 2.872 20 0 GFADMN Cn1cc(CN2CCCC[C@H]([C@H]3CCOC3)C2)c(I)n1 ZINC000898511602 663653553 /nfs/dbraw/zinc/65/35/53/663653553.db2.gz CEGPJVGCACZVKC-STQMWFEESA-N 0 1 389.281 2.663 20 0 GFADMN C[C@@H](CCn1cccn1)N[C@H](CO)c1ccccc1I ZINC000898511975 663653859 /nfs/dbraw/zinc/65/38/59/663653859.db2.gz GMKYHKYIOMTMJB-SWLSCSKDSA-N 0 1 385.249 2.590 20 0 GFADMN Cn1c(Cl)nc(Cl)c1CN[C@@H]1CCc2ncc(Br)n2C1 ZINC000898723948 663661138 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20 0 GFADMN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NN1C(=O)[C@@H](C)N(C)C1=O ZINC000899029253 663673138 /nfs/dbraw/zinc/67/31/38/663673138.db2.gz NHEUTMYIGJAXHR-SSDOTTSWSA-N 0 1 384.870 2.761 20 0 GFADMN O=C(CCc1c[nH]nn1)NCc1cc(C(F)(F)F)ccc1Br ZINC000899374135 663684546 /nfs/dbraw/zinc/68/45/46/663684546.db2.gz FLTMWGQESKKKSL-UHFFFAOYSA-N 0 1 377.164 2.835 20 0 GFADMN O=C(CCc1cnn[nH]1)NCc1cc(C(F)(F)F)ccc1Br ZINC000899374135 663684547 /nfs/dbraw/zinc/68/45/47/663684547.db2.gz FLTMWGQESKKKSL-UHFFFAOYSA-N 0 1 377.164 2.835 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000899395674 663685518 /nfs/dbraw/zinc/68/55/18/663685518.db2.gz ZZVUFPVISNJOFV-PVXIVEMSSA-N 0 1 376.254 2.682 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N(CC(F)F)C1CCC1 ZINC000899785047 663700653 /nfs/dbraw/zinc/70/06/53/663700653.db2.gz OVCKAHOBJMIDKO-UHFFFAOYSA-N 0 1 382.148 2.652 20 0 GFADMN CN(C)[C@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1cccs1 ZINC000899958357 663704484 /nfs/dbraw/zinc/70/44/84/663704484.db2.gz KMMUQSHTMBZNKW-GFCCVEGCSA-N 0 1 394.298 2.586 20 0 GFADMN O=C(CCCCc1cn[nH]n1)Nc1ccc2cc(Br)cnc2n1 ZINC000900671782 663719305 /nfs/dbraw/zinc/71/93/05/663719305.db2.gz MMKALBNMWSGBRW-UHFFFAOYSA-N 0 1 375.230 2.862 20 0 GFADMN Cc1ccc(F)c(Br)c1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000900967320 663727876 /nfs/dbraw/zinc/72/78/76/663727876.db2.gz WHXYBMYZSHWBAS-CYBMUJFWSA-N 0 1 385.277 2.691 20 0 GFADMN Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C)C3)cs1 ZINC000901301013 663733937 /nfs/dbraw/zinc/73/39/37/663733937.db2.gz GYCDDNHSSPIAEQ-SCLBCKFNSA-N 0 1 377.535 2.520 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2nn(C(C)C)cc2Cl)c(F)c1 ZINC000901714406 663742982 /nfs/dbraw/zinc/74/29/82/663742982.db2.gz OPTOIYROWPYVFR-UHFFFAOYSA-N 0 1 375.809 2.844 20 0 GFADMN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2nn(CC)cc2Cl)c1 ZINC000901716477 663743246 /nfs/dbraw/zinc/74/32/46/663743246.db2.gz OPXBIGWGRRIRPO-UHFFFAOYSA-N 0 1 375.809 2.673 20 0 GFADMN O=C(NC1CC1)[C@H](N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000901729668 663744007 /nfs/dbraw/zinc/74/40/07/663744007.db2.gz SEFWABOIXBQLIM-RHSMWYFYSA-N 0 1 389.297 2.570 20 0 GFADMN O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000901779888 663745904 /nfs/dbraw/zinc/74/59/04/663745904.db2.gz UNKGRNZVZLIUEM-SNVBAGLBSA-N 0 1 393.163 2.525 20 0 GFADMN C[N@H+]1CCC[C@@H](CNC(=O)C2(C(=O)[O-])CCSCC2)[C@@H]1c1cccs1 ZINC000901798798 663746450 /nfs/dbraw/zinc/74/64/50/663746450.db2.gz NMKBKLMHLLTBAW-DZGCQCFKSA-N 0 1 382.551 2.845 20 0 GFADMN CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2c(C)csc2C)cc1 ZINC000901888048 663749122 /nfs/dbraw/zinc/74/91/22/663749122.db2.gz YPKSYCHQOSRPSZ-AWEZNQCLSA-N 0 1 382.507 2.666 20 0 GFADMN O=S(=O)(Nc1ccc(N2CCSCC2)cc1)c1cnn(C2CCC2)c1 ZINC000901895830 663749994 /nfs/dbraw/zinc/74/99/94/663749994.db2.gz VUXWZLCBPUPQHX-UHFFFAOYSA-N 0 1 378.523 2.962 20 0 GFADMN O=C([O-])Cn1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)nn1 ZINC000902160833 663756367 /nfs/dbraw/zinc/75/63/67/663756367.db2.gz MNDCIFATBGDGTO-INIZCTEOSA-N 0 1 379.258 2.756 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CC(=O)[O-] ZINC000902558697 663763331 /nfs/dbraw/zinc/76/33/31/663763331.db2.gz ABEOLWAJXOWLHC-UKRRQHHQSA-N 0 1 397.313 2.828 20 0 GFADMN Cn1nc2c(c1CNc1nc3cc(Br)c(F)cc3[nH]1)COCC2 ZINC000902691678 663766156 /nfs/dbraw/zinc/76/61/56/663766156.db2.gz OPRQYDNHKDKZRH-UHFFFAOYSA-N 0 1 380.221 2.883 20 0 GFADMN CC(C)(O)c1ccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 ZINC000902693527 663766254 /nfs/dbraw/zinc/76/62/54/663766254.db2.gz HHCDXKHVAHDZIZ-OAHLLOKOSA-N 0 1 390.281 2.725 20 0 GFADMN CN(C)c1ccnc(CNC(=O)c2nc(C3CC3)ncc2Br)c1 ZINC000902881978 663769063 /nfs/dbraw/zinc/76/90/63/663769063.db2.gz NYOKKTFREPQRDK-UHFFFAOYSA-N 0 1 376.258 2.508 20 0 GFADMN COC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCCO1 ZINC000903157851 663776282 /nfs/dbraw/zinc/77/62/82/663776282.db2.gz BQUFMGRNECMRHT-TUKIKUTGSA-N 0 1 381.416 2.825 20 0 GFADMN COC[C@H](N[C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCCO1 ZINC000903157849 663776335 /nfs/dbraw/zinc/77/63/35/663776335.db2.gz BQUFMGRNECMRHT-BYCMXARLSA-N 0 1 381.416 2.825 20 0 GFADMN CS(C)(=O)=NS(=O)(=O)CCN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000903229798 663779593 /nfs/dbraw/zinc/77/95/93/663779593.db2.gz PQOCJDHHYQAAPW-OAHLLOKOSA-N 0 1 378.947 2.755 20 0 GFADMN C[C@@H](N[C@H]1Cc2cc(Br)cnc2NC1=O)C1(Br)CC1 ZINC000903324656 663781889 /nfs/dbraw/zinc/78/18/89/663781889.db2.gz IKDSAGQUVQHCKU-XCBNKYQSSA-N 0 1 389.091 2.613 20 0 GFADMN COc1ncc([C@H](C)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1Cl ZINC000903424584 663784414 /nfs/dbraw/zinc/78/44/14/663784414.db2.gz YQXYLFDMEMCVCN-LBPRGKRZSA-N 0 1 383.901 2.990 20 0 GFADMN CC(C)(N)c1noc(CN2CCCC[C@@H]2c2ncc(Br)cn2)n1 ZINC000903577285 663789771 /nfs/dbraw/zinc/78/97/71/663789771.db2.gz JIFARFGDXIWTCL-LLVKDONJSA-N 0 1 381.278 2.543 20 0 GFADMN CCc1nccc(C)c1NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000903676454 663801935 /nfs/dbraw/zinc/80/19/35/663801935.db2.gz UNLDDVFMZRPLST-UHFFFAOYSA-N 0 1 388.898 2.810 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cscc1Br)C[C@@H]2C(=O)[O-] ZINC000903695349 663804046 /nfs/dbraw/zinc/80/40/46/663804046.db2.gz VPKLFOQKKMDOCE-QMJNDHNRSA-N 0 1 388.283 2.596 20 0 GFADMN CCO[C@H](c1noc(CNS(=O)(=O)c2ccc(Cl)s2)n1)C(C)C ZINC000904116381 663825070 /nfs/dbraw/zinc/82/50/70/663825070.db2.gz JLWWDFVLOKELQS-LBPRGKRZSA-N 0 1 379.891 2.997 20 0 GFADMN COCC[C@H]1CNCCN1C(=O)Nc1c(F)cc(F)cc1Br ZINC000904430557 663833871 /nfs/dbraw/zinc/83/38/71/663833871.db2.gz JLVDZRKXUGBWEG-JTQLQIEISA-N 0 1 378.217 2.570 20 0 GFADMN CCc1c(NS(=O)(=O)N=S2(=O)CCCC2)cnn1-c1ccccc1C ZINC000905101471 663853338 /nfs/dbraw/zinc/85/33/38/663853338.db2.gz PCPZPSUPYWJGEN-UHFFFAOYSA-N 0 1 382.511 2.662 20 0 GFADMN C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144451 663855139 /nfs/dbraw/zinc/85/51/39/663855139.db2.gz JFKWGVYASWZELO-GTTSAUCSSA-N 0 1 383.279 2.544 20 0 GFADMN CCn1c2ccc(Br)cc2nc1CNC[C@H](O)CC1(O)CCCC1 ZINC000905229205 663860734 /nfs/dbraw/zinc/86/07/34/663860734.db2.gz 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553145726 /nfs/dbraw/zinc/14/57/26/553145726.db2.gz JLHRVNYKDFARNM-CVEARBPZSA-N 0 1 385.346 2.915 20 0 GFADMN Cc1ccc([C@H](O)CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)cc1 ZINC000261726891 553157277 /nfs/dbraw/zinc/15/72/77/553157277.db2.gz KPZLLCBILMESKG-AEFFLSMTSA-N 0 1 377.282 2.781 20 0 GFADMN CN(Cc1nccn1C(F)F)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261856862 553161348 /nfs/dbraw/zinc/16/13/48/553161348.db2.gz WICAJOQIKKZHLO-OAHLLOKOSA-N 0 1 387.228 2.873 20 0 GFADMN CCOC(=O)C1CCC(NC(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261872987 553161786 /nfs/dbraw/zinc/16/17/86/553161786.db2.gz YAUXYKUVXTUTBR-GUUHALQZSA-N 0 1 397.313 2.861 20 0 GFADMN C[C@@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000263340866 553186372 /nfs/dbraw/zinc/18/63/72/553186372.db2.gz NKGYFDZCBOFMRE-BZPMIXESSA-N 0 1 383.286 2.669 20 0 GFADMN CC(=O)NCC[N@H+](Cc1cc(Cl)c(C)cc1Br)[C@@H](C)C(=O)[O-] ZINC000263428906 553187400 /nfs/dbraw/zinc/18/74/00/553187400.db2.gz RMUIJCLDJMPFPV-JTQLQIEISA-N 0 1 391.693 2.822 20 0 GFADMN CC(=O)NCC[N@@H+](Cc1cc(Cl)c(C)cc1Br)[C@@H](C)C(=O)[O-] ZINC000263428906 553187402 /nfs/dbraw/zinc/18/74/02/553187402.db2.gz RMUIJCLDJMPFPV-JTQLQIEISA-N 0 1 391.693 2.822 20 0 GFADMN C[C@H](CNC(=O)c1csc(-c2cccc(Cl)c2)n1)N1CCN(C)CC1 ZINC000263813208 553194044 /nfs/dbraw/zinc/19/40/44/553194044.db2.gz XGUQANGZZGDULM-CYBMUJFWSA-N 0 1 378.929 2.829 20 0 GFADMN CO[C@](C)([C@H](C)NS(=O)(=O)c1nc(C)c(Br)s1)C1CC1 ZINC000416579544 563850313 /nfs/dbraw/zinc/85/03/13/563850313.db2.gz BIXICFYYUSAMSU-QPUJVOFHSA-N 0 1 383.333 2.696 20 0 GFADMN Fc1cccc(CNC[C@H](N2CCOCC2)C(F)(F)F)c1Br ZINC000449317171 564180744 /nfs/dbraw/zinc/18/07/44/564180744.db2.gz BNKKOLUWISGNOP-LBPRGKRZSA-N 0 1 385.199 2.941 20 0 GFADMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(F)c(F)cc1I ZINC000471803273 564204620 /nfs/dbraw/zinc/20/46/20/564204620.db2.gz GHSBVTRKLARBML-QMMMGPOBSA-N 0 1 392.187 2.536 20 0 GFADMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000541246233 564270885 /nfs/dbraw/zinc/27/08/85/564270885.db2.gz 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VXYHORZZKGWGQF-SFHVURJKSA-N 0 1 381.314 2.707 20 0 GFADMN O=C(NC1(C(F)F)CC1)c1n[nH]c2ccc(I)cc21 ZINC000506588053 564205557 /nfs/dbraw/zinc/20/55/57/564205557.db2.gz IUEZOOWCRGEPOR-UHFFFAOYSA-N 0 1 377.132 2.695 20 0 GFADMN O=C1CCCc2cc(NS(=O)(=O)c3cncc(Br)c3)ccc2N1 ZINC000506668076 564209257 /nfs/dbraw/zinc/20/92/57/564209257.db2.gz GSIRVTGCDOZZJM-UHFFFAOYSA-N 0 1 396.266 2.920 20 0 GFADMN COc1ccc(C(=O)CCC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c(Cl)c1 ZINC000507082150 564218008 /nfs/dbraw/zinc/21/80/08/564218008.db2.gz CXBLIEGALYAPOA-WBVHZDCISA-N 0 1 384.929 2.816 20 0 GFADMN Cc1c(C(=O)NCCN2CC=CCC2)cnn1-c1ccc(Br)cc1 ZINC000539920536 564232359 /nfs/dbraw/zinc/23/23/59/564232359.db2.gz LZSVFKRWGJKXDI-UHFFFAOYSA-N 0 1 389.297 2.935 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)cc1Cl ZINC000540334563 564245105 /nfs/dbraw/zinc/24/51/05/564245105.db2.gz QAJFOCUDCCQDGO-UHFFFAOYSA-N 0 1 379.829 2.679 20 0 GFADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000507873458 564245731 /nfs/dbraw/zinc/24/57/31/564245731.db2.gz NOBAOSBSIKBLNE-KRWDZBQOSA-N 0 1 382.346 2.996 20 0 GFADMN COC(=O)CCN1CCN(CCOc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000540422838 564247606 /nfs/dbraw/zinc/24/76/06/564247606.db2.gz XVQQAZORFMDUAK-ZDUSSCGKSA-N 0 1 375.296 2.941 20 0 GFADMN O=C1CCc2ccc(NS(=O)(=O)c3cncc(Br)c3)cc2N1 ZINC000507941609 564248869 /nfs/dbraw/zinc/24/88/69/564248869.db2.gz YQEGEUKQGFWOKQ-UHFFFAOYSA-N 0 1 382.239 2.530 20 0 GFADMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000507968034 564249858 /nfs/dbraw/zinc/24/98/58/564249858.db2.gz VLMOWEJLASEGSH-UHFFFAOYSA-N 0 1 399.266 2.751 20 0 GFADMN O=c1[n-]nc([C@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)o1 ZINC000450899762 564254195 /nfs/dbraw/zinc/25/41/95/564254195.db2.gz XHNKPJATOFYIHZ-NSHDSACASA-N 0 1 385.205 2.759 20 0 GFADMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)o1 ZINC000450899762 564254198 /nfs/dbraw/zinc/25/41/98/564254198.db2.gz XHNKPJATOFYIHZ-NSHDSACASA-N 0 1 385.205 2.759 20 0 GFADMN CN1CCc2nc(NC(=O)[C@](C)(N)c3ccc(Br)cc3)sc2C1 ZINC000564889620 564255504 /nfs/dbraw/zinc/25/55/04/564255504.db2.gz CUTHLGNVPGNIHZ-MRXNPFEDSA-N 0 1 395.326 2.706 20 0 GFADMN CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000473914626 564256390 /nfs/dbraw/zinc/25/63/90/564256390.db2.gz ZOINPYUFEALSEY-GFCCVEGCSA-N 0 1 381.723 2.616 20 0 GFADMN Cc1cccc(C)c1CNCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000540811320 564257644 /nfs/dbraw/zinc/25/76/44/564257644.db2.gz KTMIUQXTQIWEDU-UHFFFAOYSA-N 0 1 380.535 2.676 20 0 GFADMN Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(Br)c1 ZINC000450991036 564261138 /nfs/dbraw/zinc/26/11/38/564261138.db2.gz VVSKQXOSLIDNQS-CQSZACIVSA-N 0 1 383.330 2.604 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cn1 ZINC000540979504 564262347 /nfs/dbraw/zinc/26/23/47/564262347.db2.gz HQCMZTWJVUFGIJ-UHFFFAOYSA-N 0 1 377.344 2.617 20 0 GFADMN Cc1cc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c(Br)s1 ZINC000474205169 564269419 /nfs/dbraw/zinc/26/94/19/564269419.db2.gz IXMOFTBUXOZKLG-SNVBAGLBSA-N 0 1 375.332 2.736 20 0 GFADMN COCCOc1c(Cl)cc(S(=O)(=O)N(C)Cc2cnc[nH]2)cc1Cl ZINC000565233983 564271929 /nfs/dbraw/zinc/27/19/29/564271929.db2.gz ANRKQNSEHNHNSH-UHFFFAOYSA-N 0 1 394.280 2.562 20 0 GFADMN CC(C)Oc1ncc(Cl)cc1NS(=O)(=O)CCOCC(F)(F)F ZINC000451092178 564273229 /nfs/dbraw/zinc/27/32/29/564273229.db2.gz BOBPIACNHZUKFF-UHFFFAOYSA-N 0 1 376.784 2.843 20 0 GFADMN COc1cc(C)c(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2C)cc1Cl ZINC000451093000 564273331 /nfs/dbraw/zinc/27/33/31/564273331.db2.gz DOMNINXRFIMATK-LBPRGKRZSA-N 0 1 385.873 2.924 20 0 GFADMN COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000565312674 564275743 /nfs/dbraw/zinc/27/57/43/564275743.db2.gz BVTNCNSUIJJPLR-CABCVRRESA-N 0 1 386.286 2.954 20 0 GFADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccccc2Br)C1 ZINC000508918136 564277093 /nfs/dbraw/zinc/27/70/93/564277093.db2.gz ZQTWNLNZJCSEMZ-CABCVRRESA-N 0 1 399.329 2.691 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2ccccc2Br)C1 ZINC000508918150 564277179 /nfs/dbraw/zinc/27/71/79/564277179.db2.gz ZQTWNLNZJCSEMZ-LSDHHAIUSA-N 0 1 399.329 2.691 20 0 GFADMN O=C(CNS(=O)(=O)c1ccc(Cl)s1)Nc1cc(F)cc(Cl)c1O ZINC000474433088 564277696 /nfs/dbraw/zinc/27/76/96/564277696.db2.gz NKGPWPGFGPAVNX-UHFFFAOYSA-N 0 1 399.252 2.817 20 0 GFADMN COCCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000474433295 564278045 /nfs/dbraw/zinc/27/80/45/564278045.db2.gz OXDJBQBEXQOJSL-UHFFFAOYSA-N 0 1 387.816 2.857 20 0 GFADMN C[C@@H](CNC(=O)NCCN1CC=CCC1)Oc1cccc(Br)c1 ZINC000474437244 564278679 /nfs/dbraw/zinc/27/86/79/564278679.db2.gz HHCITDIBLCDKPL-AWEZNQCLSA-N 0 1 382.302 2.778 20 0 GFADMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000541536898 564282508 /nfs/dbraw/zinc/28/25/08/564282508.db2.gz CDKAHGWXFTXKHM-ZWNOBZJWSA-N 0 1 393.734 2.817 20 0 GFADMN CCc1nc(CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)n[nH]1 ZINC000565526545 564284517 /nfs/dbraw/zinc/28/45/17/564284517.db2.gz UXBBXXSDBDBJJU-LBPRGKRZSA-N 0 1 378.274 2.829 20 0 GFADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000565519670 564284701 /nfs/dbraw/zinc/28/47/01/564284701.db2.gz NWWUAYAEXBTWIM-GXTWGEPZSA-N 0 1 389.253 2.792 20 0 GFADMN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000451239945 564289816 /nfs/dbraw/zinc/28/98/16/564289816.db2.gz XSZIHNGXLLOTNS-QLFBSQMISA-N 0 1 383.286 2.687 20 0 GFADMN CCc1ncc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cn1 ZINC000541824829 564290685 /nfs/dbraw/zinc/29/06/85/564290685.db2.gz PUJZZEIBZTZSBY-UHFFFAOYSA-N 0 1 377.857 2.987 20 0 GFADMN CN(Cc1ccc[nH]1)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000474857919 564291282 /nfs/dbraw/zinc/29/12/82/564291282.db2.gz STQUZYKMRIMJHO-UHFFFAOYSA-N 0 1 380.189 2.768 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1O)N1CCC[C@@]2(CCCOC2)C1 ZINC000451267936 564293265 /nfs/dbraw/zinc/29/32/65/564293265.db2.gz KIGOPGRAOVGYFZ-OAHLLOKOSA-N 0 1 379.400 2.992 20 0 GFADMN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1n[nH]c(C(C)C)n1 ZINC000451275182 564293802 /nfs/dbraw/zinc/29/38/02/564293802.db2.gz IHNKAPQQKXGIQS-AWEZNQCLSA-N 0 1 393.285 2.791 20 0 GFADMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)c(C)c1 ZINC000509393430 564295605 /nfs/dbraw/zinc/29/56/05/564295605.db2.gz ZCQNVEDJULPJLC-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN CN(Cc1ccc([S@](C)=O)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475088843 564299519 /nfs/dbraw/zinc/29/95/19/564299519.db2.gz BAIAGFCAIQICGQ-NWLBTCKQSA-N 0 1 381.542 2.925 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@@H]1N(C)C ZINC000451356818 564304505 /nfs/dbraw/zinc/30/45/05/564304505.db2.gz XOAIXKQQYUEYTQ-UONOGXRCSA-N 0 1 385.942 2.554 20 0 GFADMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1Cl ZINC000509646891 564307782 /nfs/dbraw/zinc/30/77/82/564307782.db2.gz RJAVFFBKXAMPNJ-UHFFFAOYSA-N 0 1 382.825 2.870 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1ccc(OCC(F)F)cc1)N1CCC(C)CC1 ZINC000542254340 564307841 /nfs/dbraw/zinc/30/78/41/564307841.db2.gz RZHYAPKCJDGYTC-AWEZNQCLSA-N 0 1 376.469 2.729 20 0 GFADMN CN(CCc1ccccc1O)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451390867 564308289 /nfs/dbraw/zinc/30/82/89/564308289.db2.gz FBQSILYQONNGAO-UHFFFAOYSA-N 0 1 375.368 2.980 20 0 GFADMN CS(=O)(=O)C1(CNCc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000475444550 564308853 /nfs/dbraw/zinc/30/88/53/564308853.db2.gz XNSLZDTZZIDPIC-UHFFFAOYSA-N 0 1 384.242 2.717 20 0 GFADMN COc1cc(CNCC(=O)N2Cc3ccccc3C2)cc(Br)c1O ZINC000475498685 564310790 /nfs/dbraw/zinc/31/07/90/564310790.db2.gz YJXHEWDCDVMCTD-UHFFFAOYSA-N 0 1 391.265 2.795 20 0 GFADMN CCN(CC)[C@H](CNS(=O)(=O)CCOC)c1ccc(C(F)(F)F)cc1 ZINC000509791727 564313675 /nfs/dbraw/zinc/31/36/75/564313675.db2.gz TUTLOYZGIXVOML-OAHLLOKOSA-N 0 1 382.448 2.654 20 0 GFADMN NC(=O)[C@H]1CCC[C@H](NCc2ncc(Br)cc2Br)C1 ZINC000542517195 564317331 /nfs/dbraw/zinc/31/73/31/564317331.db2.gz QEVSBDQZYXYFEW-WPRPVWTQSA-N 0 1 391.107 2.740 20 0 GFADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCC(=O)NC(N)=O ZINC000542572667 564318035 /nfs/dbraw/zinc/31/80/35/564318035.db2.gz CCZSSPXRBBOINR-MRVPVSSYSA-N 0 1 397.298 2.727 20 0 GFADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000475800887 564321055 /nfs/dbraw/zinc/32/10/55/564321055.db2.gz WLQZCQXJZOHPCO-ZDUSSCGKSA-N 0 1 390.933 2.516 20 0 GFADMN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2Br)cc1 ZINC000475802551 564321198 /nfs/dbraw/zinc/32/11/98/564321198.db2.gz AVSAQIRTSRBKCN-UHFFFAOYSA-N 0 1 399.266 2.618 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c(Cl)c1 ZINC000510082047 564325602 /nfs/dbraw/zinc/32/56/02/564325602.db2.gz CKOMGKCEVZUWQR-UHFFFAOYSA-N 0 1 383.809 2.965 20 0 GFADMN O[C@H](COC1CCOCC1)C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569924 564326972 /nfs/dbraw/zinc/32/69/72/564326972.db2.gz PBEABYISXFBPBS-WBVHZDCISA-N 0 1 384.314 2.795 20 0 GFADMN O[C@H](COC1CCOCC1)CN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451569924 564326975 /nfs/dbraw/zinc/32/69/75/564326975.db2.gz PBEABYISXFBPBS-WBVHZDCISA-N 0 1 384.314 2.795 20 0 GFADMN CC1(C)NC(=O)N(CCN2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000451573203 564327601 /nfs/dbraw/zinc/32/76/01/564327601.db2.gz TZKFSWKTKBSOTR-CYBMUJFWSA-N 0 1 380.286 2.569 20 0 GFADMN CN(CCNC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000510349423 564331130 /nfs/dbraw/zinc/33/11/30/564331130.db2.gz AWTBTKZZOIBNSP-UHFFFAOYSA-N 0 1 386.945 2.885 20 0 GFADMN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000542941954 564333209 /nfs/dbraw/zinc/33/32/09/564333209.db2.gz HHOSSWDPLUBAIC-UHFFFAOYSA-N 0 1 378.303 2.827 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)NCC1(c2ccc(C)cc2C)CC1 ZINC000451638767 564333862 /nfs/dbraw/zinc/33/38/62/564333862.db2.gz FTCAFAIHFHKKJG-UHFFFAOYSA-N 0 1 380.491 2.557 20 0 GFADMN C[C@H](NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc([S@](C)=O)cc1 ZINC000542977970 564334230 /nfs/dbraw/zinc/33/42/30/564334230.db2.gz SWIPXJFALCBDRS-CAVMCXFUSA-N 0 1 376.444 2.876 20 0 GFADMN CS(=O)(=O)C[C@H]1CCCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000451654357 564336267 /nfs/dbraw/zinc/33/62/67/564336267.db2.gz VCWAWXLIVGZCJM-GFCCVEGCSA-N 0 1 386.315 2.725 20 0 GFADMN C[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)C[C@H](C)[N@H+]1CCO ZINC000451663316 564336930 /nfs/dbraw/zinc/33/69/30/564336930.db2.gz 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CNC(C)(C)c1cn([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925177 565337246 /nfs/dbraw/zinc/33/72/46/565337246.db2.gz IBJRSAOEXFNFKA-GFCCVEGCSA-N 0 1 394.317 2.715 20 0 GFADMN CCN(CC)C(=O)[C@H](C)n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC000640919303 565337564 /nfs/dbraw/zinc/33/75/64/565337564.db2.gz CQSLJRVIAIYKHT-NHYWBVRUSA-N 0 1 380.290 2.518 20 0 GFADMN CC(C)(C)N1CC[C@@H](n2cc([C@@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641107423 565345896 /nfs/dbraw/zinc/34/58/96/565345896.db2.gz SEZPSEPIIVZKPB-CABCVRRESA-N 0 1 392.301 2.661 20 0 GFADMN Cc1ccc(Cn2cc(C[NH+]3CCC(C(=O)[O-])CC3)nn2)cc1Br ZINC000641139969 565349902 /nfs/dbraw/zinc/34/99/02/565349902.db2.gz XSAHJGMEYGPKCP-UHFFFAOYSA-N 0 1 393.285 2.694 20 0 GFADMN CCc1nnc(Cn2cc([C@H](N)c3ccc(Br)cc3)nn2)s1 ZINC000641156165 565349955 /nfs/dbraw/zinc/34/99/55/565349955.db2.gz CDSYUPVSNLQJJY-CQSZACIVSA-N 0 1 379.287 2.551 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000662171988 565353062 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C[C@H](CNC(=O)c1cc(C(C)(C)N)no1)Oc1ccccc1Br ZINC000662632470 565379286 /nfs/dbraw/zinc/37/92/86/565379286.db2.gz QGIWFRIYOVAQJF-SNVBAGLBSA-N 0 1 382.258 2.828 20 0 GFADMN N[C@H](Cc1ccccc1)C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662741580 565383257 /nfs/dbraw/zinc/38/32/57/565383257.db2.gz NVQGSAXTLWCHKG-MRXNPFEDSA-N 0 1 375.266 2.740 20 0 GFADMN CCc1[nH]nc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)c1Br ZINC000594378885 565383382 /nfs/dbraw/zinc/38/33/82/565383382.db2.gz GKBJCOQDFRLJLV-QFYYESIMSA-N 0 1 384.274 2.540 20 0 GFADMN C[C@@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@@]1(C)CO ZINC000620452939 565383755 /nfs/dbraw/zinc/38/37/55/565383755.db2.gz QPUTVHNKSOMHSM-DIFFPNOSSA-N 0 1 378.270 2.930 20 0 GFADMN CC(C)(N)c1cc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)on1 ZINC000662881829 565388655 /nfs/dbraw/zinc/38/86/55/565388655.db2.gz HUMTUMDKOGAAPH-ZDUSSCGKSA-N 0 1 394.269 2.845 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)C[C@@H]1N(C)C ZINC000594465272 565390463 /nfs/dbraw/zinc/39/04/63/565390463.db2.gz 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Cc1nc(-c2ccc(CCNC(=O)NCCCc3nc[nH]n3)s2)cs1 ZINC000663524975 565424345 /nfs/dbraw/zinc/42/43/45/565424345.db2.gz CTWINQKPUROANP-UHFFFAOYSA-N 0 1 376.511 2.773 20 0 GFADMN COc1ccnc(N2CCN(c3cc(OC)ncc3Br)CC2)c1 ZINC000663545939 565425467 /nfs/dbraw/zinc/42/54/67/565425467.db2.gz QQTCHXJGMCYXII-UHFFFAOYSA-N 0 1 379.258 2.583 20 0 GFADMN O=C(c1cc2c(cc1Br)OCO2)N1CCNC[C@@H]1c1ccccc1 ZINC000621664740 565436193 /nfs/dbraw/zinc/43/61/93/565436193.db2.gz GGNRSUHDYTVZIN-OAHLLOKOSA-N 0 1 389.249 2.965 20 0 GFADMN COc1ccc(Br)c(CC(=O)NC[C@H](N)c2ccccc2OC)c1 ZINC000644090844 565457814 /nfs/dbraw/zinc/45/78/14/565457814.db2.gz IQBWKKFOAAWLJO-INIZCTEOSA-N 0 1 393.281 2.825 20 0 GFADMN CN(Cc1n[nH]c(=O)o1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000622117147 565462529 /nfs/dbraw/zinc/46/25/29/565462529.db2.gz SZJPVRDSBOIWGE-UHFFFAOYSA-N 0 1 397.254 2.739 20 0 GFADMN C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)[C@@H]2C1 ZINC000644303767 565470831 /nfs/dbraw/zinc/47/08/31/565470831.db2.gz 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Cn1ccc2c1cccc2NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737614707 598381667 /nfs/dbraw/zinc/38/16/67/598381667.db2.gz YGSWIEYYELTFOZ-UHFFFAOYSA-N 0 1 388.840 2.813 20 0 GFADMN C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736859778 598408670 /nfs/dbraw/zinc/40/86/70/598408670.db2.gz JJBSNBIIEBECIK-CQSZACIVSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736859778 598408672 /nfs/dbraw/zinc/40/86/72/598408672.db2.gz JJBSNBIIEBECIK-CQSZACIVSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736859778 598408674 /nfs/dbraw/zinc/40/86/74/598408674.db2.gz JJBSNBIIEBECIK-CQSZACIVSA-N 0 1 396.426 2.622 20 0 GFADMN C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736859778 598408676 /nfs/dbraw/zinc/40/86/76/598408676.db2.gz JJBSNBIIEBECIK-CQSZACIVSA-N 0 1 396.426 2.622 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736269887 598459170 /nfs/dbraw/zinc/45/91/70/598459170.db2.gz YSONSYJHQXDIIH-HNNXBMFYSA-N 0 1 391.479 2.566 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H](C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000737187417 598473244 /nfs/dbraw/zinc/47/32/44/598473244.db2.gz RMVDGQNNRIQOLO-NSHDSACASA-N 0 1 384.465 2.565 20 0 GFADMN Cc1cc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c(C)[nH]1 ZINC000737226533 598721600 /nfs/dbraw/zinc/72/16/00/598721600.db2.gz BIKMDUGCCRGSIN-UHFFFAOYSA-N 0 1 382.811 2.663 20 0 GFADMN C[C@@H](NC(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736109857 598742936 /nfs/dbraw/zinc/74/29/36/598742936.db2.gz AUTUYSFFFQVYMU-SNVBAGLBSA-N 0 1 381.827 2.816 20 0 GFADMN C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ncnc3sccc32)CC1 ZINC000736201314 599310007 /nfs/dbraw/zinc/31/00/07/599310007.db2.gz WXORASHYJWBHRQ-ZDUSSCGKSA-N 0 1 392.492 2.755 20 0 GFADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000174705124 599319475 /nfs/dbraw/zinc/31/94/75/599319475.db2.gz LKHGYKSENVHEBV-LJQANCHMSA-N 0 1 376.464 2.538 20 0 GFADMN CCOc1cc(N2CCN(C)CC2)ccc1NCc1cccc(-c2nn[nH]n2)c1 ZINC000821400364 599397470 /nfs/dbraw/zinc/39/74/70/599397470.db2.gz IHRDSIISRMEVEJ-UHFFFAOYSA-N 0 1 393.495 2.629 20 0 GFADMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737875298 599478247 /nfs/dbraw/zinc/47/82/47/599478247.db2.gz HWCTZDARXZSQSW-HNNXBMFYSA-N 0 1 380.427 2.509 20 0 GFADMN CCN(CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000736535003 599508901 /nfs/dbraw/zinc/50/89/01/599508901.db2.gz UABPVKILEUVWGZ-UHFFFAOYSA-N 0 1 381.484 2.614 20 0 GFADMN C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820321933 599528769 /nfs/dbraw/zinc/52/87/69/599528769.db2.gz OELSZOQSSNQZQK-KXBFYZLASA-N 0 1 376.464 2.709 20 0 GFADMN CCCO[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000821128295 599574051 /nfs/dbraw/zinc/57/40/51/599574051.db2.gz SWHRSYOUJAAZOG-INIZCTEOSA-N 0 1 383.456 2.698 20 0 GFADMN Cc1csc(C(C)(C)NCCC(=O)Nc2sccc2-c2nn[nH]n2)n1 ZINC000822409673 599639527 /nfs/dbraw/zinc/63/95/27/599639527.db2.gz UDSWAJZQCVQIKR-UHFFFAOYSA-N 0 1 377.499 2.547 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](C)CCN(C)c1ccccc1 ZINC000738252464 599763191 /nfs/dbraw/zinc/76/31/91/599763191.db2.gz BYQFVBBFBYKMQF-UHFFFAOYSA-N 0 1 381.274 2.678 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+](C)CCN(C)c1ccccc1 ZINC000738252464 599763192 /nfs/dbraw/zinc/76/31/92/599763192.db2.gz BYQFVBBFBYKMQF-UHFFFAOYSA-N 0 1 381.274 2.678 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736790760 599770991 /nfs/dbraw/zinc/77/09/91/599770991.db2.gz YYIZTHZXOFLIQK-AWEZNQCLSA-N 0 1 392.477 2.831 20 0 GFADMN CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737069199 599773286 /nfs/dbraw/zinc/77/32/86/599773286.db2.gz ZXBNTYDAKMJIRG-GDBMZVCRSA-N 0 1 392.477 2.824 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])CC3 ZINC000738667467 599796327 /nfs/dbraw/zinc/79/63/27/599796327.db2.gz LCMSWWBWIWIPRG-GRSHGNNSSA-N 0 1 385.489 2.726 20 0 GFADMN Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])CC3 ZINC000738667467 599796328 /nfs/dbraw/zinc/79/63/28/599796328.db2.gz LCMSWWBWIWIPRG-GRSHGNNSSA-N 0 1 385.489 2.726 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000738545110 599811792 /nfs/dbraw/zinc/81/17/92/599811792.db2.gz HPNMGZKAJLQWSW-UHFFFAOYSA-N 0 1 386.492 2.689 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)CC2)cs1 ZINC000738854162 599827031 /nfs/dbraw/zinc/82/70/31/599827031.db2.gz GDDWCEQHDCODKX-UHFFFAOYSA-N 0 1 399.476 2.877 20 0 GFADMN O=C([O-])c1cn(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nn1 ZINC000740254566 599842295 /nfs/dbraw/zinc/84/22/95/599842295.db2.gz PAANCYXSTDFHAZ-GFCCVEGCSA-N 0 1 388.815 2.517 20 0 GFADMN O=C([O-])c1cn(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nn1 ZINC000740254566 599842297 /nfs/dbraw/zinc/84/22/97/599842297.db2.gz PAANCYXSTDFHAZ-GFCCVEGCSA-N 0 1 388.815 2.517 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000738544844 599867353 /nfs/dbraw/zinc/86/73/53/599867353.db2.gz CFVHRUBCBZPPAB-JOCHJYFZSA-N 0 1 378.472 2.957 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c2ccccc2)CC1 ZINC000737516252 599901663 /nfs/dbraw/zinc/90/16/63/599901663.db2.gz SEHYYFLRQQCUKH-SFHVURJKSA-N 0 1 389.402 2.590 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615433 599957339 /nfs/dbraw/zinc/95/73/39/599957339.db2.gz NYPTZWDAZDNBIA-JKSUJKDBSA-N 0 1 399.495 2.600 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615433 599957343 /nfs/dbraw/zinc/95/73/43/599957343.db2.gz NYPTZWDAZDNBIA-JKSUJKDBSA-N 0 1 399.495 2.600 20 0 GFADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC000737359788 600004986 /nfs/dbraw/zinc/00/49/86/600004986.db2.gz VVIZKLZTVBITOX-CQSZACIVSA-N 0 1 394.880 2.720 20 0 GFADMN COC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000737698104 600007072 /nfs/dbraw/zinc/00/70/72/600007072.db2.gz XPPXZRAKLLSJLM-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN COC(=O)c1ccc(C[N@@H+]2CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000737698104 600007074 /nfs/dbraw/zinc/00/70/74/600007074.db2.gz XPPXZRAKLLSJLM-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN COC(=O)c1ccc(C[N@H+]2CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000737698104 600007078 /nfs/dbraw/zinc/00/70/78/600007078.db2.gz XPPXZRAKLLSJLM-UHFFFAOYSA-N 0 1 382.460 2.879 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113608 600073919 /nfs/dbraw/zinc/07/39/19/600073919.db2.gz FJOAALZMIXFXAM-QGZVFWFLSA-N 0 1 384.480 2.851 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000736202218 600089266 /nfs/dbraw/zinc/08/92/66/600089266.db2.gz ZMLPQHUCOWKUTD-CYBMUJFWSA-N 0 1 397.313 2.635 20 0 GFADMN Cc1ccnc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798440 600096744 /nfs/dbraw/zinc/09/67/44/600096744.db2.gz QGOQOABKSINPFM-AEFFLSMTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1ccnc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798440 600096747 /nfs/dbraw/zinc/09/67/47/600096747.db2.gz QGOQOABKSINPFM-AEFFLSMTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C(=O)[O-])cc1 ZINC000738554173 600154787 /nfs/dbraw/zinc/15/47/87/600154787.db2.gz JFGPKNUIKKDCRB-IBGZPJMESA-N 0 1 381.476 2.899 20 0 GFADMN CC[C@@]([NH2+]CC(=O)N[C@H](C)Cc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000736919439 600306323 /nfs/dbraw/zinc/30/63/23/600306323.db2.gz ZAFOZLDWGMGHMK-SZNDQCEHSA-N 0 1 390.430 2.992 20 0 GFADMN CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736923468 600392584 /nfs/dbraw/zinc/39/25/84/600392584.db2.gz GMOYTMDDCPULOA-KGLIPLIRSA-N 0 1 380.510 2.889 20 0 GFADMN CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736923468 600392587 /nfs/dbraw/zinc/39/25/87/600392587.db2.gz GMOYTMDDCPULOA-KGLIPLIRSA-N 0 1 380.510 2.889 20 0 GFADMN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000739625818 600412885 /nfs/dbraw/zinc/41/28/85/600412885.db2.gz QAALTNXZKBTPDI-ZCQLHAAUSA-N 0 1 378.519 2.668 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000736717689 600464557 /nfs/dbraw/zinc/46/45/57/600464557.db2.gz NKBUPMMFBCMWJH-CRAIPNDOSA-N 0 1 387.480 2.798 20 0 GFADMN C[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000736641992 600510803 /nfs/dbraw/zinc/51/08/03/600510803.db2.gz WGOWTKITWRYPCH-OXJNMPFZSA-N 0 1 384.476 2.973 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737885811 600511073 /nfs/dbraw/zinc/51/10/73/600511073.db2.gz JBLKZBOOQJKLQW-CYBMUJFWSA-N 0 1 384.860 2.551 20 0 GFADMN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737885811 600511075 /nfs/dbraw/zinc/51/10/75/600511075.db2.gz JBLKZBOOQJKLQW-CYBMUJFWSA-N 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GFHAKWLMXFCXLR-KRWDZBQOSA-N 0 1 399.447 2.798 20 0 GFADMN C[C@@H](Oc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827895801 601732313 /nfs/dbraw/zinc/73/23/13/601732313.db2.gz MRYSKAIHARJVKZ-VGSWGCGISA-N 0 1 382.460 2.690 20 0 GFADMN CN(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000830635444 601740341 /nfs/dbraw/zinc/74/03/41/601740341.db2.gz NHMSMIXYTNVTNE-JOCHJYFZSA-N 0 1 399.466 2.741 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000184954845 601836476 /nfs/dbraw/zinc/83/64/76/601836476.db2.gz KIKYACZXJJUQOV-UHFFFAOYSA-N 0 1 396.896 2.968 20 0 GFADMN CC(C)N(CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)[O-] ZINC000738843408 601875112 /nfs/dbraw/zinc/87/51/12/601875112.db2.gz XMKWDDDFAIDEDU-UHFFFAOYSA-N 0 1 383.439 2.824 20 0 GFADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)c1 ZINC000833329956 601876504 /nfs/dbraw/zinc/87/65/04/601876504.db2.gz KJGWFMORRUOXOZ-KRWDZBQOSA-N 0 1 379.416 2.600 20 0 GFADMN 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0 1 381.230 2.589 20 0 GFADMN COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C(=O)[O-])s3)C2=O)c1 ZINC000832088057 601962035 /nfs/dbraw/zinc/96/20/35/601962035.db2.gz IYQCEDFFRBHUHV-MRXNPFEDSA-N 0 1 390.461 2.701 20 0 GFADMN COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C(=O)[O-])s3)C2=O)c1 ZINC000832088057 601962038 /nfs/dbraw/zinc/96/20/38/601962038.db2.gz IYQCEDFFRBHUHV-MRXNPFEDSA-N 0 1 390.461 2.701 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740413051 602018288 /nfs/dbraw/zinc/01/82/88/602018288.db2.gz SCHGVEAAQZVUSS-MOPGFXCFSA-N 0 1 388.512 2.588 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000825930058 602023398 /nfs/dbraw/zinc/02/33/98/602023398.db2.gz VSGWEUGCCBKUNR-GUYCJALGSA-N 0 1 397.475 2.546 20 0 GFADMN C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263174924 602033701 /nfs/dbraw/zinc/03/37/01/602033701.db2.gz QOAFRBZMCKXPPC-QZTJIDSGSA-N 0 1 384.398 2.764 20 0 GFADMN 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ZINC000739174022 602761507 /nfs/dbraw/zinc/76/15/07/602761507.db2.gz HBSWCDNHXQHAMP-RDBSUJKOSA-N 0 1 390.509 2.621 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CSCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739084512 602849553 /nfs/dbraw/zinc/84/95/53/602849553.db2.gz RBNITNWMGIFWEL-HYVNUMGLSA-N 0 1 377.510 2.551 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CSCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739084509 602849742 /nfs/dbraw/zinc/84/97/42/602849742.db2.gz RBNITNWMGIFWEL-DJIMGWMZSA-N 0 1 377.510 2.551 20 0 GFADMN CN(C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1)C(=O)[O-] ZINC000739661299 602863859 /nfs/dbraw/zinc/86/38/59/602863859.db2.gz SLDPNSXEUKVKKK-SWLSCSKDSA-N 0 1 385.386 2.742 20 0 GFADMN O=C([O-])NCCOc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000740670989 602901380 /nfs/dbraw/zinc/90/13/80/602901380.db2.gz NMKWGOHHAPIAKE-UHFFFAOYSA-N 0 1 390.484 2.815 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180875 602901523 /nfs/dbraw/zinc/90/15/23/602901523.db2.gz QANLVWOXESNWKX-RVKKMQEKSA-N 0 1 390.484 2.560 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180875 602901526 /nfs/dbraw/zinc/90/15/26/602901526.db2.gz QANLVWOXESNWKX-RVKKMQEKSA-N 0 1 390.484 2.560 20 0 GFADMN C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739081646 602913871 /nfs/dbraw/zinc/91/38/71/602913871.db2.gz JXOHHQRGBPDVRX-NZSAHSFTSA-N 0 1 388.512 2.823 20 0 GFADMN CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)[O-] ZINC000738776074 602916117 /nfs/dbraw/zinc/91/61/17/602916117.db2.gz DWMZDJJZHHNQKO-QRQLOZEOSA-N 0 1 390.528 2.973 20 0 GFADMN O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000740694793 602971990 /nfs/dbraw/zinc/97/19/90/602971990.db2.gz JLWXFGXJXKSVAW-OAHLLOKOSA-N 0 1 383.448 2.724 20 0 GFADMN CCN(CCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000739420068 603029142 /nfs/dbraw/zinc/02/91/42/603029142.db2.gz OWABXWYGELHZDT-HNNXBMFYSA-N 0 1 378.473 2.591 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2csc(CNC(=O)[O-])n2)C1 ZINC000739105832 603030444 /nfs/dbraw/zinc/03/04/44/603030444.db2.gz MGVPIVAROUSOIR-KGLIPLIRSA-N 0 1 380.514 2.637 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739109460 603041772 /nfs/dbraw/zinc/04/17/72/603041772.db2.gz SQRZBKMOEPWGNV-KURKYZTESA-N 0 1 380.533 2.672 20 0 GFADMN CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000826680387 603057864 /nfs/dbraw/zinc/05/78/64/603057864.db2.gz BBRCXUKSLILLCD-WMLDXEAASA-N 0 1 385.464 2.847 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H](CNC(=O)[O-])C3CC3)cc2)C1 ZINC000739112040 603078237 /nfs/dbraw/zinc/07/82/37/603078237.db2.gz RHIIYTLRRORTEF-DNVCBOLYSA-N 0 1 388.512 2.764 20 0 GFADMN O=C([O-])NC1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000740556177 603095730 /nfs/dbraw/zinc/09/57/30/603095730.db2.gz HEGPSAPUYRPJQI-CTWPCTMYSA-N 0 1 388.512 2.919 20 0 GFADMN CN(CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000737423211 603133107 /nfs/dbraw/zinc/13/31/07/603133107.db2.gz RWBSCCNWZGZRKU-OAHLLOKOSA-N 0 1 387.402 2.786 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000739081556 603135820 /nfs/dbraw/zinc/13/58/20/603135820.db2.gz JERCASNLBUCVQW-ATZDWAIDSA-N 0 1 388.512 2.727 20 0 GFADMN CCN(Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1)C(=O)[O-] ZINC000739442431 603141673 /nfs/dbraw/zinc/14/16/73/603141673.db2.gz LTRXIVCUISYKAM-SFHVURJKSA-N 0 1 390.484 2.515 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828258884 603223187 /nfs/dbraw/zinc/22/31/87/603223187.db2.gz HIEXFQOECDBGEL-ICSRJNTNSA-N 0 1 381.476 2.976 20 0 GFADMN CC(=O)N(c1nc(C[NH2+][C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)cs1)C1CC1 ZINC000738515450 603237244 /nfs/dbraw/zinc/23/72/44/603237244.db2.gz WXUDROSGBFLPQZ-KPZWWZAWSA-N 0 1 380.514 2.965 20 0 GFADMN C[C@H]1CCc2c(sc3nc(CC[N@@H+](C)CCCNC(=O)[O-])nc(N)c32)C1 ZINC000739115792 603250885 /nfs/dbraw/zinc/25/08/85/603250885.db2.gz TVFXCYUIYLGWHR-NSHDSACASA-N 0 1 377.514 2.530 20 0 GFADMN O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831322055 603284519 /nfs/dbraw/zinc/28/45/19/603284519.db2.gz ZOQVDJJFCILRTO-KRWDZBQOSA-N 0 1 379.888 2.907 20 0 GFADMN O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831322055 603284520 /nfs/dbraw/zinc/28/45/20/603284520.db2.gz ZOQVDJJFCILRTO-KRWDZBQOSA-N 0 1 379.888 2.907 20 0 GFADMN O=C([O-])N1CC[C@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000740498268 603325570 /nfs/dbraw/zinc/32/55/70/603325570.db2.gz FEIXXCVQXDLRDX-GFCCVEGCSA-N 0 1 386.279 2.751 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830823375 603392723 /nfs/dbraw/zinc/39/27/23/603392723.db2.gz FYUFLZQRTTWUGH-KBXCAEBGSA-N 0 1 393.447 2.837 20 0 GFADMN C[N@@H+]1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000828494194 603436241 /nfs/dbraw/zinc/43/62/41/603436241.db2.gz HZARFBXVNBGORW-VQTJNVASSA-N 0 1 381.476 2.771 20 0 GFADMN C[N@H+]1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000828494194 603436242 /nfs/dbraw/zinc/43/62/42/603436242.db2.gz HZARFBXVNBGORW-VQTJNVASSA-N 0 1 381.476 2.771 20 0 GFADMN O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000832248700 603439684 /nfs/dbraw/zinc/43/96/84/603439684.db2.gz YQECDQHRFWYTBM-RDJZCZTQSA-N 0 1 379.888 2.811 20 0 GFADMN O=C([O-])N[C@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000832248700 603439687 /nfs/dbraw/zinc/43/96/87/603439687.db2.gz YQECDQHRFWYTBM-RDJZCZTQSA-N 0 1 379.888 2.811 20 0 GFADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645250 603538200 /nfs/dbraw/zinc/53/82/00/603538200.db2.gz MYIACQIIAYOHEQ-HUUCEWRRSA-N 0 1 392.500 2.567 20 0 GFADMN C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000825645250 603538204 /nfs/dbraw/zinc/53/82/04/603538204.db2.gz MYIACQIIAYOHEQ-HUUCEWRRSA-N 0 1 392.500 2.567 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000825871768 603556400 /nfs/dbraw/zinc/55/64/00/603556400.db2.gz HFTDFZNGUDXPOH-ZZEDZQHJSA-N 0 1 389.540 2.563 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000826691883 603583314 /nfs/dbraw/zinc/58/33/14/603583314.db2.gz XCWWVSJOMHNYKA-IAGOWNOFSA-N 0 1 390.484 2.814 20 0 GFADMN C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)c2)C[C@@H](C)O1 ZINC000826070069 603641708 /nfs/dbraw/zinc/64/17/08/603641708.db2.gz ZARDDPZGHVIOLY-SZXPJGKVSA-N 0 1 375.469 2.671 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000826069701 603651580 /nfs/dbraw/zinc/65/15/80/603651580.db2.gz WFBUFAAYGRQUSB-NZSAHSFTSA-N 0 1 388.512 2.586 20 0 GFADMN CN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCC(NC(=O)[O-])CC1 ZINC000827793944 603656869 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XGYCBCGSBVJRAU-SQNIBIBYSA-N 0 1 380.533 2.528 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)C2CC2)cc1 ZINC000829312264 603789278 /nfs/dbraw/zinc/78/92/78/603789278.db2.gz STTNYNUPGPEETK-LBXVMSDZSA-N 0 1 389.496 2.773 20 0 GFADMN Cc1[nH+]ccn1CCCCNC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000830823001 603822197 /nfs/dbraw/zinc/82/21/97/603822197.db2.gz DLGHSHWNLGUCBZ-QGZVFWFLSA-N 0 1 377.489 2.536 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830841184 603848081 /nfs/dbraw/zinc/84/80/81/603848081.db2.gz XNULXNDVSPIPOV-KRWDZBQOSA-N 0 1 385.468 2.502 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830841185 603848105 /nfs/dbraw/zinc/84/81/05/603848105.db2.gz XNULXNDVSPIPOV-QGZVFWFLSA-N 0 1 385.468 2.502 20 0 GFADMN CCN(CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC000827070941 603889784 /nfs/dbraw/zinc/88/97/84/603889784.db2.gz UOMNVACFGJYIDC-IBGZPJMESA-N 0 1 388.512 2.682 20 0 GFADMN 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606903839 /nfs/dbraw/zinc/90/38/39/606903839.db2.gz MCRJOGZLXJSCEE-DQLDELGASA-N 0 1 393.491 2.979 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CC(C)C)cc1-c1nn[nH]n1 ZINC000821969491 606914520 /nfs/dbraw/zinc/91/45/20/606914520.db2.gz AVQBXQOHLWWUEN-LLVKDONJSA-N 0 1 376.486 2.730 20 0 GFADMN CCc1nnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(-c2nn[nH]n2)c1CC ZINC000821523013 606922211 /nfs/dbraw/zinc/92/22/11/606922211.db2.gz QDDOQDUIDIVJST-ZNMIVQPWSA-N 0 1 384.532 2.623 20 0 GFADMN c1nc2ccccn2c1CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823801763 607065067 /nfs/dbraw/zinc/06/50/67/607065067.db2.gz AKSRJUDPVLMOTP-UHFFFAOYSA-N 0 1 375.436 2.558 20 0 GFADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000823136196 607215007 /nfs/dbraw/zinc/21/50/07/607215007.db2.gz OBEJNOJWAXTRKJ-UHFFFAOYSA-N 0 1 398.789 2.556 20 0 GFADMN CC(C)[C@H](CNc1cc(-c2nn[nH]n2)ccc1C(F)(F)F)N1CCOCC1 ZINC000820021562 607226922 /nfs/dbraw/zinc/22/69/22/607226922.db2.gz WEXZHZJXJKUWES-HNNXBMFYSA-N 0 1 384.406 2.654 20 0 GFADMN CC[C@@H](C)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061190 607815904 /nfs/dbraw/zinc/81/59/04/607815904.db2.gz WVZUJWBZSICGSL-PBHICJAKSA-N 0 1 377.514 2.541 20 0 GFADMN CC(C)(C)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824079647 607828860 /nfs/dbraw/zinc/82/88/60/607828860.db2.gz QXOKXIBXADVOEB-INIZCTEOSA-N 0 1 391.541 2.789 20 0 GFADMN O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCN(C2CCCC2)CC1 ZINC000826469158 607833689 /nfs/dbraw/zinc/83/36/89/607833689.db2.gz WPVNUNAPXBMAAV-UHFFFAOYSA-N 0 1 395.294 2.874 20 0 GFADMN CN1Cc2ccccc2[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C1 ZINC000826050700 607936583 /nfs/dbraw/zinc/93/65/83/607936583.db2.gz BHNKMEKEKHEHCY-CYBMUJFWSA-N 0 1 375.358 2.879 20 0 GFADMN O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826471830 607964685 /nfs/dbraw/zinc/96/46/85/607964685.db2.gz OCZWZWIWAXFNCR-MRXNPFEDSA-N 0 1 386.419 2.629 20 0 GFADMN CCC[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1)N(C)C ZINC000825225270 608122152 /nfs/dbraw/zinc/12/21/52/608122152.db2.gz QSODCKYIQNTPDL-INIZCTEOSA-N 0 1 381.440 2.723 20 0 GFADMN Cc1oc(NC(=O)CN2CC[C@@H](c3ccc(C)cc3)C2)c(-c2nn[nH]n2)c1C ZINC000826285649 608127651 /nfs/dbraw/zinc/12/76/51/608127651.db2.gz FWGAZRNNTUUMMM-MRXNPFEDSA-N 0 1 380.452 2.813 20 0 GFADMN O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000826506022 608420885 /nfs/dbraw/zinc/42/08/85/608420885.db2.gz LBYREDXDAASNQD-LJQANCHMSA-N 0 1 387.846 2.839 20 0 GFADMN O[C@@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000826506022 608420889 /nfs/dbraw/zinc/42/08/89/608420889.db2.gz LBYREDXDAASNQD-LJQANCHMSA-N 0 1 387.846 2.839 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000826170146 608449201 /nfs/dbraw/zinc/44/92/01/608449201.db2.gz PTDFSINBLRDXFD-LBPRGKRZSA-N 0 1 399.451 2.752 20 0 GFADMN CCOc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825639447 608461445 /nfs/dbraw/zinc/46/14/45/608461445.db2.gz WFXSUKXCPYEBKK-OAHLLOKOSA-N 0 1 394.479 2.575 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc(-c2nn[nH]n2)c1 ZINC000824562817 608490479 /nfs/dbraw/zinc/49/04/79/608490479.db2.gz JFXNESYQNPTUBQ-SECBINFHSA-N 0 1 376.342 2.573 20 0 GFADMN Cc1cc(C)cc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826264623 608509430 /nfs/dbraw/zinc/50/94/30/608509430.db2.gz URZNTCVFCWLGKY-HNNXBMFYSA-N 0 1 385.493 2.608 20 0 GFADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1cc(Cl)ccc1F ZINC000826412518 608532622 /nfs/dbraw/zinc/53/26/22/608532622.db2.gz RDGCTUBFWXFBIY-UHFFFAOYSA-N 0 1 386.818 2.877 20 0 GFADMN CC[C@H]1Oc2cc([C@H](C)NCc3cccc(-c4nn[nH]n4)c3F)ccc2NC1=O ZINC000825220401 608538373 /nfs/dbraw/zinc/53/83/73/608538373.db2.gz SMCXSJXMVYIVOL-MEDUHNTESA-N 0 1 396.426 2.966 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824506066 608561850 /nfs/dbraw/zinc/56/18/50/608561850.db2.gz KMVBNALNJUHKDL-TZMCWYRMSA-N 0 1 376.461 2.727 20 0 GFADMN c1cc2c(cccc2C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)[nH]1 ZINC000826515790 608591381 /nfs/dbraw/zinc/59/13/81/608591381.db2.gz KZFUEYFOVIZMDP-UHFFFAOYSA-N 0 1 390.451 2.536 20 0 GFADMN C[C@@H](CN1CCOCC1)[N@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000824419819 608676618 /nfs/dbraw/zinc/67/66/18/608676618.db2.gz CCOCEEBYADAILK-INIZCTEOSA-N 0 1 398.536 2.651 20 0 GFADMN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000824419819 608676621 /nfs/dbraw/zinc/67/66/21/608676621.db2.gz CCOCEEBYADAILK-INIZCTEOSA-N 0 1 398.536 2.651 20 0 GFADMN c1ccc2c(CN3CCC(Oc4ccc(-c5nn[nH]n5)cc4)CC3)n[nH]c2c1 ZINC000826522905 608682419 /nfs/dbraw/zinc/68/24/19/608682419.db2.gz SQIYOIGMJRHHHS-UHFFFAOYSA-N 0 1 375.436 2.786 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521531 608845490 /nfs/dbraw/zinc/84/54/90/608845490.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 0 1 378.480 2.946 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521531 608845491 /nfs/dbraw/zinc/84/54/91/608845491.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 0 1 378.480 2.946 20 0 GFADMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000825439857 609138306 /nfs/dbraw/zinc/13/83/06/609138306.db2.gz QUYOSEATWSCPMS-CQSZACIVSA-N 0 1 382.443 2.705 20 0 GFADMN C[C@H](NCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)c1cccnc1 ZINC000824562051 609282945 /nfs/dbraw/zinc/28/29/45/609282945.db2.gz CDKHOCLCOMILLF-LBPRGKRZSA-N 0 1 397.508 2.881 20 0 GFADMN c1cnc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c(-c2nn[nH]n2)c1 ZINC000826525787 609294141 /nfs/dbraw/zinc/29/41/41/609294141.db2.gz ZCVQFBYTFMIDMG-AWEZNQCLSA-N 0 1 379.472 2.812 20 0 GFADMN COc1cccc([C@@H]2[C@@H](Nc3cccc(-c4nn[n-]n4)n3)CC[N@@H+]2C2CC2)c1 ZINC000826215357 609322656 /nfs/dbraw/zinc/32/26/56/609322656.db2.gz MXYYZBRHSFTVMT-QFBILLFUSA-N 0 1 377.452 2.660 20 0 GFADMN COc1cccc([C@@H]2[C@@H](Nc3cccc(-c4nn[n-]n4)n3)CC[N@H+]2C2CC2)c1 ZINC000826215357 609322658 /nfs/dbraw/zinc/32/26/58/609322658.db2.gz MXYYZBRHSFTVMT-QFBILLFUSA-N 0 1 377.452 2.660 20 0 GFADMN CCN(CCN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000825424530 609333532 /nfs/dbraw/zinc/33/35/32/609333532.db2.gz JPUHMSNCRIQFNF-LBPRGKRZSA-N 0 1 378.452 2.913 20 0 GFADMN OC[C@@H](NCc1ccc(F)cc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000826508546 609429387 /nfs/dbraw/zinc/42/93/87/609429387.db2.gz SPRMLPNMGACKES-OAHLLOKOSA-N 0 1 381.333 2.848 20 0 GFADMN CCc1nc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)n[nH]1 ZINC000479160833 650598082 /nfs/dbraw/zinc/59/80/82/650598082.db2.gz IQJPORDMQRFUFF-UHFFFAOYSA-N 0 1 375.230 2.876 20 0 GFADMN CCc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)n1 ZINC000479160833 650598085 /nfs/dbraw/zinc/59/80/85/650598085.db2.gz IQJPORDMQRFUFF-UHFFFAOYSA-N 0 1 375.230 2.876 20 0 GFADMN Cn1ncc(Br)c1CNCCNc1ccc(-c2ccccc2)nn1 ZINC000486928203 650725257 /nfs/dbraw/zinc/72/52/57/650725257.db2.gz AUMWSZYGKHJTRE-UHFFFAOYSA-N 0 1 387.285 2.841 20 0 GFADMN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H](c2nc(Br)cs2)C2CC2)O1 ZINC000817580491 660201506 /nfs/dbraw/zinc/20/15/06/660201506.db2.gz LFDPKOBVQSZRKZ-GMXVVIOVSA-N 0 1 388.331 2.582 20 0 GFADMN O=C(c1cccc(I)c1O)N1C[C@H](CO)c2ccccc21 ZINC000817792148 660208692 /nfs/dbraw/zinc/20/86/92/660208692.db2.gz ZPSCJWUNGGRKFO-SNVBAGLBSA-N 0 1 395.196 2.733 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@@H](O)c2cccc(F)c2)s1 ZINC000818945804 660236326 /nfs/dbraw/zinc/23/63/26/660236326.db2.gz PAAVTDSSWSHSNS-MRXNPFEDSA-N 0 1 386.514 2.741 20 0 GFADMN O=S(=O)(CCNC[C@H](O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000818976744 660240477 /nfs/dbraw/zinc/24/04/77/660240477.db2.gz NSNWNKYYMPHAGK-KRWDZBQOSA-N 0 1 398.322 2.687 20 0 GFADMN C[C@](O)(CNCc1ccc(C(N)=O)o1)c1ccc(Br)cc1Cl ZINC000819128128 660247419 /nfs/dbraw/zinc/24/74/19/660247419.db2.gz FFXJHLFZWCUSKQ-HNNXBMFYSA-N 0 1 387.661 2.792 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000820929118 660310317 /nfs/dbraw/zinc/31/03/17/660310317.db2.gz NTWQKJXBBCGNFM-OAHLLOKOSA-N 0 1 375.296 2.501 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000820944149 660310792 /nfs/dbraw/zinc/31/07/92/660310792.db2.gz OPOJLPPRGJSGMQ-AWEZNQCLSA-N 0 1 375.296 2.501 20 0 GFADMN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000821139920 660317087 /nfs/dbraw/zinc/31/70/87/660317087.db2.gz JDMDAYXNKBPZIH-HNNXBMFYSA-N 0 1 391.873 2.975 20 0 GFADMN CS(=O)(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1Cl ZINC000821177787 660317991 /nfs/dbraw/zinc/31/79/91/660317991.db2.gz KMENSQIVRZMNDW-UHFFFAOYSA-N 0 1 396.273 2.903 20 0 GFADMN CS(=O)(=O)Nc1ccc(N2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822804062 660354768 /nfs/dbraw/zinc/35/47/68/660354768.db2.gz VTSIKLVLVUIVSO-CYBMUJFWSA-N 0 1 392.352 2.764 20 0 GFADMN C[C@H]1C[C@H](CN(C)CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000823478024 660373233 /nfs/dbraw/zinc/37/32/33/660373233.db2.gz ZBDMVAJMMFQRPV-LSDHHAIUSA-N 0 1 376.563 2.777 20 0 GFADMN C[C@H](CNC(=O)c1cnc(I)c(O)c1)CC(F)(F)F ZINC000823587338 660375755 /nfs/dbraw/zinc/37/57/55/660375755.db2.gz LHVQAFAQHARJMS-LURJTMIESA-N 0 1 388.127 2.710 20 0 GFADMN CN(C)[C@H](CNC(=O)c1c(Br)nc2n1CCC2)c1cccc(F)c1 ZINC000823596162 660375927 /nfs/dbraw/zinc/37/59/27/660375927.db2.gz HAVNWHVCQWIAST-CYBMUJFWSA-N 0 1 395.276 2.764 20 0 GFADMN O=C1OCCN1C[C@H]1CCN(Cc2cc(Br)cc3c2OCC3)C1 ZINC000824455839 660392497 /nfs/dbraw/zinc/39/24/97/660392497.db2.gz YOWZTDAPDHNUSM-LBPRGKRZSA-N 0 1 381.270 2.658 20 0 GFADMN O=C1OCCN1C[C@H]1CCN(Cc2cccc(I)c2)C1 ZINC000824455863 660392550 /nfs/dbraw/zinc/39/25/50/660392550.db2.gz ZFCOTAZEYOYSAZ-ZDUSSCGKSA-N 0 1 386.233 2.565 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)n[nH]1 ZINC000824498083 660394520 /nfs/dbraw/zinc/39/45/20/660394520.db2.gz VTWMRJSPNZGPEC-QMMMGPOBSA-N 0 1 379.877 2.981 20 0 GFADMN Cn1c(Cl)cnc1CNC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000825133329 660412153 /nfs/dbraw/zinc/41/21/53/660412153.db2.gz DUHZIKPYNKJGNY-NSHDSACASA-N 0 1 390.684 2.916 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)N2CCCC2)o1 ZINC000825582176 660434132 /nfs/dbraw/zinc/43/41/32/660434132.db2.gz XTBZYIIJNJJWIZ-CYBMUJFWSA-N 0 1 381.274 2.651 20 0 GFADMN C[C@]12CCN(CC[C@H]3CCOC3=O)C[C@H]1C2(Br)Br ZINC000852335647 661861068 /nfs/dbraw/zinc/86/10/68/661861068.db2.gz JLWCWEPMBSKGIZ-UMNHJUIQSA-N 0 1 381.108 2.768 20 0 GFADMN CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000826961532 660473708 /nfs/dbraw/zinc/47/37/08/660473708.db2.gz HVPBVFHREQOVOJ-CQSZACIVSA-N 0 1 377.286 2.529 20 0 GFADMN O=C(c1cnn(Cc2ccccc2)c1Br)N1CC[C@H](N2CCC2)C1 ZINC000826949856 660472763 /nfs/dbraw/zinc/47/27/63/660472763.db2.gz MENCYRSNUZSWIC-HNNXBMFYSA-N 0 1 389.297 2.614 20 0 GFADMN O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000827701799 660509791 /nfs/dbraw/zinc/50/97/91/660509791.db2.gz OBTLIGCVAKQOKK-MRVPVSSYSA-N 0 1 396.778 2.535 20 0 GFADMN Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000828315168 660543612 /nfs/dbraw/zinc/54/36/12/660543612.db2.gz SXUQHCGEEXFSRT-CQSZACIVSA-N 0 1 377.286 2.793 20 0 GFADMN 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O=C(CN[C@@H](c1cncc(Br)c1)C1CC1)NCc1ccccn1 ZINC000792933999 658330968 /nfs/dbraw/zinc/33/09/68/658330968.db2.gz JPOPIESKTWZPLX-QGZVFWFLSA-N 0 1 375.270 2.596 20 0 GFADMN CC(C)(C)OC(=O)NCC[C@H](O)CNCc1cc(F)ccc1Br ZINC000792959601 658335348 /nfs/dbraw/zinc/33/53/48/658335348.db2.gz OKYIIRHXMCDODQ-ZDUSSCGKSA-N 0 1 391.281 2.954 20 0 GFADMN CCOC(=O)c1cc(NC(=O)Cc2sc(SC(F)F)nc2C)n[nH]1 ZINC000793781371 658437584 /nfs/dbraw/zinc/43/75/84/658437584.db2.gz WVLQXOCUDSXSOR-UHFFFAOYSA-N 0 1 376.410 2.847 20 0 GFADMN Cc1nc(SC(F)F)sc1CC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000793882937 658453443 /nfs/dbraw/zinc/45/34/43/658453443.db2.gz GSTVLMCEZWTQRZ-JTQLQIEISA-N 0 1 393.525 2.612 20 0 GFADMN Cc1nc(SC(F)F)sc1CC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000793892548 658455556 /nfs/dbraw/zinc/45/55/56/658455556.db2.gz VBZUGPIDUQKCSR-SNVBAGLBSA-N 0 1 393.525 2.612 20 0 GFADMN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)C[C@H]1CCCOC1 ZINC000795349682 658809663 /nfs/dbraw/zinc/80/96/63/658809663.db2.gz 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O=C(NC[C@@H](O)c1cccc(Br)c1)c1[nH]nc2c1CCCCC2 ZINC000802317918 659477856 /nfs/dbraw/zinc/47/78/56/659477856.db2.gz IARLUWUSRGAGQY-OAHLLOKOSA-N 0 1 378.270 2.905 20 0 GFADMN O=S(=O)(NCCN[C@@H]1CCc2nc(Cl)ccc21)c1cccc(Cl)c1 ZINC000806134873 659826346 /nfs/dbraw/zinc/82/63/46/659826346.db2.gz OSYVJEVEUQHLGA-CQSZACIVSA-N 0 1 386.304 2.944 20 0 GFADMN CCN1CCN(c2ccccc2NC(=O)NCC(F)(F)Br)CC1 ZINC000806154025 659826476 /nfs/dbraw/zinc/82/64/76/659826476.db2.gz AEVLQAXFKWPNIS-UHFFFAOYSA-N 0 1 391.260 2.938 20 0 GFADMN O=S(=O)(NCCN[C@@H]1CCc2nc(Cl)ccc21)c1ccc(F)cc1F ZINC000806164555 659826511 /nfs/dbraw/zinc/82/65/11/659826511.db2.gz WQZSRGQRCVOBID-CYBMUJFWSA-N 0 1 387.839 2.569 20 0 GFADMN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(C)=O)cc1 ZINC000808068761 659875452 /nfs/dbraw/zinc/87/54/52/659875452.db2.gz GTOOSYSAVLAANR-UHFFFAOYSA-N 0 1 381.475 2.874 20 0 GFADMN CN(CCO)Cc1cc(NCc2cc(Br)nn2C)ccc1Cl ZINC000808412219 659893499 /nfs/dbraw/zinc/89/34/99/659893499.db2.gz SEWDGZUOBLFPFN-UHFFFAOYSA-N 0 1 387.709 2.872 20 0 GFADMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cc(Cl)ncc1Br ZINC000810189526 659965723 /nfs/dbraw/zinc/96/57/23/659965723.db2.gz QLSSKPBQZPKUQT-GFCCVEGCSA-N 0 1 393.632 2.530 20 0 GFADMN Nc1nccc(N2CCC[C@@H](OC(=O)c3cc(Br)cs3)C2)n1 ZINC000810769759 659985339 /nfs/dbraw/zinc/98/53/39/659985339.db2.gz DSLADOPLECDXSW-SNVBAGLBSA-N 0 1 383.271 2.709 20 0 GFADMN Nc1nccc(N2CCC[C@@H](OC(=O)Cc3ccc(Br)cc3)C2)n1 ZINC000810769763 659985366 /nfs/dbraw/zinc/98/53/66/659985366.db2.gz DSWMDZSHFUWKJG-CQSZACIVSA-N 0 1 391.269 2.576 20 0 GFADMN C[C@H]1CCCN1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000811171295 660003477 /nfs/dbraw/zinc/00/34/77/660003477.db2.gz WLSIZEXJEHOQNF-ZDUSSCGKSA-N 0 1 379.298 2.650 20 0 GFADMN COc1ccc(C(=O)COC(=O)c2ccoc2Br)c2c1C(=O)CO2 ZINC000811197199 660003815 /nfs/dbraw/zinc/00/38/15/660003815.db2.gz QAOBDYJPWLMFSE-UHFFFAOYSA-N 0 1 395.161 2.666 20 0 GFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000813493481 660055687 /nfs/dbraw/zinc/05/56/87/660055687.db2.gz BTCZVHVSMMZSBL-HNNXBMFYSA-N 0 1 387.816 2.650 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000813624130 660058476 /nfs/dbraw/zinc/05/84/76/660058476.db2.gz UXPKVJBYGFVSES-VIFPVBQESA-N 0 1 395.453 2.788 20 0 GFADMN CC(C)(C)c1nnc(COC(=O)c2cc(Br)c3c(c2)OCCO3)[nH]1 ZINC000814450268 660083223 /nfs/dbraw/zinc/08/32/23/660083223.db2.gz KGUNDTWDSDUJQF-UHFFFAOYSA-N 0 1 396.241 2.993 20 0 GFADMN CC(C)(C)c1nc(COC(=O)c2cc(Br)c3c(c2)OCCO3)n[nH]1 ZINC000814450268 660083226 /nfs/dbraw/zinc/08/32/26/660083226.db2.gz KGUNDTWDSDUJQF-UHFFFAOYSA-N 0 1 396.241 2.993 20 0 GFADMN CN(CCN1CCCC1=O)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815048295 660107178 /nfs/dbraw/zinc/10/71/78/660107178.db2.gz OYGAARPVSCLONU-INIZCTEOSA-N 0 1 389.721 2.864 20 0 GFADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000816704196 660165801 /nfs/dbraw/zinc/16/58/01/660165801.db2.gz JZDNMXSPOJSWFA-LBPRGKRZSA-N 0 1 377.242 2.738 20 0 GFADMN Cc1[nH]nc(C(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c1Br ZINC000817024755 660176139 /nfs/dbraw/zinc/17/61/39/660176139.db2.gz XPFJXYJITHNENI-AOOOYVTPSA-N 0 1 385.306 2.588 20 0 GFADMN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000817149746 660183933 /nfs/dbraw/zinc/18/39/33/660183933.db2.gz GWTPVBBINKBQQC-LBPRGKRZSA-N 0 1 383.901 2.612 20 0 GFADMN C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000841547723 661295924 /nfs/dbraw/zinc/29/59/24/661295924.db2.gz ADBYVNGTTAZEEN-JTQLQIEISA-N 0 1 396.738 2.508 20 0 GFADMN C[N@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000841547723 661295928 /nfs/dbraw/zinc/29/59/28/661295928.db2.gz ADBYVNGTTAZEEN-JTQLQIEISA-N 0 1 396.738 2.508 20 0 GFADMN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000841571557 661305100 /nfs/dbraw/zinc/30/51/00/661305100.db2.gz FPABMAGUQJDZOZ-UHFFFAOYSA-N 0 1 384.929 2.964 20 0 GFADMN C[C@@H](O)CN1CCN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000841797888 661314285 /nfs/dbraw/zinc/31/42/85/661314285.db2.gz COLBXHRXSXTLJT-NXEZZACHSA-N 0 1 380.798 2.673 20 0 GFADMN CC(C)[C@H](N)c1noc(Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000843149584 661370698 /nfs/dbraw/zinc/37/06/98/661370698.db2.gz BSPOJFRKLFYQJT-HNNXBMFYSA-N 0 1 384.527 2.552 20 0 GFADMN CC(C)[C@H](N)c1noc(-c2cccn3c(I)cnc23)n1 ZINC000843154712 661371173 /nfs/dbraw/zinc/37/11/73/661371173.db2.gz NONCATBSNBHWGC-JTQLQIEISA-N 0 1 383.193 2.645 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(c2c(F)cccc2F)CC1 ZINC000843921948 661397563 /nfs/dbraw/zinc/39/75/63/661397563.db2.gz UATOEOOJQUQKSV-UHFFFAOYSA-N 0 1 388.490 2.546 20 0 GFADMN COCCN1[C@H](C)CN(C(=O)Cc2sc(SC(F)F)nc2C)C[C@@H]1C ZINC000844024512 661400725 /nfs/dbraw/zinc/40/07/25/661400725.db2.gz KHSCLLHJTUTMGN-PHIMTYICSA-N 0 1 393.525 2.876 20 0 GFADMN CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000844645672 661431131 /nfs/dbraw/zinc/43/11/31/661431131.db2.gz HTNRAYIGCKJIET-CQSZACIVSA-N 0 1 376.862 2.772 20 0 GFADMN CN(C)c1cc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])ccn1 ZINC000846276836 661542262 /nfs/dbraw/zinc/54/22/62/661542262.db2.gz XPMSPYVNNLSWAZ-INIZCTEOSA-N 0 1 390.281 2.922 20 0 GFADMN CN(C)c1cc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])ccn1 ZINC000846276836 661542265 /nfs/dbraw/zinc/54/22/65/661542265.db2.gz XPMSPYVNNLSWAZ-INIZCTEOSA-N 0 1 390.281 2.922 20 0 GFADMN CC(C)(C)OC(=O)CC1(NC(=O)CSc2n[nH]c(=S)s2)CCC1 ZINC000846432607 661550089 /nfs/dbraw/zinc/55/00/89/661550089.db2.gz FJBKWQUEDYHSSD-UHFFFAOYSA-N 0 1 375.541 2.690 20 0 GFADMN C[C@@]1(NC(=O)CSc2n[n-]c(=S)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846593780 661558903 /nfs/dbraw/zinc/55/89/03/661558903.db2.gz SGKZUDLAGUNBRC-MRXNPFEDSA-N 0 1 380.564 2.700 20 0 GFADMN O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000847079407 661575550 /nfs/dbraw/zinc/57/55/50/661575550.db2.gz KPUJWFJELQPBJT-ZETCQYMHSA-N 0 1 376.722 2.862 20 0 GFADMN O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000847079406 661575701 /nfs/dbraw/zinc/57/57/01/661575701.db2.gz KPUJWFJELQPBJT-SSDOTTSWSA-N 0 1 376.722 2.862 20 0 GFADMN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC000847414744 661591415 /nfs/dbraw/zinc/59/14/15/661591415.db2.gz PKUQTTSRAPNBHE-LBPRGKRZSA-N 0 1 376.400 2.795 20 0 GFADMN COC(=O)[C@](C)(NC(=O)[C@@H](C)Cc1cnc[nH]1)c1cccc(Br)c1 ZINC000847478726 661594063 /nfs/dbraw/zinc/59/40/63/661594063.db2.gz XXSONXXVMCXPDB-APPDUMDISA-N 0 1 394.269 2.555 20 0 GFADMN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848275815 661637919 /nfs/dbraw/zinc/63/79/19/661637919.db2.gz LWLXIYORFLGDIX-QWHCGFSZSA-N 0 1 385.251 2.703 20 0 GFADMN O=S(=O)([N-][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(F)c(F)c(F)c(F)c1F ZINC000848508315 661658330 /nfs/dbraw/zinc/65/83/30/661658330.db2.gz KVOKQFUZDYWACY-RKDXNWHRSA-N 0 1 384.370 2.677 20 0 GFADMN O=S(=O)([N-][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c(F)c(F)c(F)c(F)c1F ZINC000848508315 661658335 /nfs/dbraw/zinc/65/83/35/661658335.db2.gz KVOKQFUZDYWACY-RKDXNWHRSA-N 0 1 384.370 2.677 20 0 GFADMN COC[C@@H](CC(C)(C)C)NCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000848566890 661665083 /nfs/dbraw/zinc/66/50/83/661665083.db2.gz LNBUAKXCXWHSAI-KGLIPLIRSA-N 0 1 391.965 2.745 20 0 GFADMN CC(C)(C)OC(=O)[C@@]1(NS(=O)(=O)/C=C/c2ccccc2Cl)CCOC1 ZINC000849447759 661727049 /nfs/dbraw/zinc/72/70/49/661727049.db2.gz VGXDLTDUKVBLOA-VGMNTSGFSA-N 0 1 387.885 2.731 20 0 GFADMN COC(=O)c1cc(Br)c(S(=O)(=O)NCCC(C)(C)F)s1 ZINC000849457306 661728903 /nfs/dbraw/zinc/72/89/03/661728903.db2.gz QVAUGYQSHMRNIS-UHFFFAOYSA-N 0 1 388.280 2.714 20 0 GFADMN COC(=O)[C@H](OC(=O)c1[nH]nc2c1CCC2)c1ccccc1Br ZINC000849697180 661740584 /nfs/dbraw/zinc/74/05/84/661740584.db2.gz WJAFTBGLNJIDKN-CQSZACIVSA-N 0 1 379.210 2.732 20 0 GFADMN CC(C)c1n[nH]c(COC(=O)[C@@]2(C)CC2(Br)Br)n1 ZINC000849967226 661755544 /nfs/dbraw/zinc/75/55/44/661755544.db2.gz WCICBWVCKDURAI-SNVBAGLBSA-N 0 1 381.068 2.867 20 0 GFADMN CC(C)c1nc(COC(=O)[C@@]2(C)CC2(Br)Br)n[nH]1 ZINC000849967226 661755550 /nfs/dbraw/zinc/75/55/50/661755550.db2.gz WCICBWVCKDURAI-SNVBAGLBSA-N 0 1 381.068 2.867 20 0 GFADMN CCc1cc(CNC(=O)C(=O)Nc2cc(Cl)c(Br)cc2C)n[nH]1 ZINC000850377819 661773563 /nfs/dbraw/zinc/77/35/63/661773563.db2.gz PBJDHTOCWWDAQG-UHFFFAOYSA-N 0 1 399.676 2.951 20 0 GFADMN CCN(C(=O)C(=O)Nc1cccc(C2SCCS2)c1)[C@@H]1CCN(C)C1 ZINC000850582936 661782136 /nfs/dbraw/zinc/78/21/36/661782136.db2.gz IBGKQFFWEXFQRP-OAHLLOKOSA-N 0 1 379.551 2.656 20 0 GFADMN CN(CC1CN(C)C1)C(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000850628602 661783771 /nfs/dbraw/zinc/78/37/71/661783771.db2.gz PAGZYMXDOVHHPA-UHFFFAOYSA-N 0 1 377.844 2.613 20 0 GFADMN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000851740731 661830028 /nfs/dbraw/zinc/83/00/28/661830028.db2.gz WTSJMOZCCQBQDE-GFCCVEGCSA-N 0 1 380.316 2.658 20 0 GFADMN O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000852231225 661857222 /nfs/dbraw/zinc/85/72/22/661857222.db2.gz KUETWAUHQNQJAL-MLHJIOFPSA-N 0 1 377.579 2.940 20 0 GFADMN Cc1cc2nc(Cl)cc(N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)n2n1 ZINC000853636461 661895987 /nfs/dbraw/zinc/89/59/87/661895987.db2.gz CRRASSZGZGQVTM-JTQLQIEISA-N 0 1 375.782 2.586 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccnc(OCC(F)(F)F)c1 ZINC000854512657 661937665 /nfs/dbraw/zinc/93/76/65/661937665.db2.gz BJGZXAHYDFDNTB-UHFFFAOYSA-N 0 1 382.414 2.894 20 0 GFADMN CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cc(Br)n[nH]3)nc21 ZINC000854644687 661945306 /nfs/dbraw/zinc/94/53/06/661945306.db2.gz DXUUTYFZNTUKBI-ZETCQYMHSA-N 0 1 399.270 2.864 20 0 GFADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)c1cnn(C(C)(C)C)c1Br ZINC000854896239 661959619 /nfs/dbraw/zinc/95/96/19/661959619.db2.gz HRMQIXQUIVKDSQ-UHFFFAOYSA-N 0 1 397.277 2.598 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000855046666 661967414 /nfs/dbraw/zinc/96/74/14/661967414.db2.gz KQORFDOVRHAKJJ-MRVPVSSYSA-N 0 1 375.738 2.653 20 0 GFADMN COc1ncc(NC(=O)Cc2n[nH]c3c2CCCC3)c(C)c1Br ZINC000855474409 661993185 /nfs/dbraw/zinc/99/31/85/661993185.db2.gz VLSUWSIBXKTYDH-UHFFFAOYSA-N 0 1 379.258 2.944 20 0 GFADMN O=C(NCC[C@@H]1CC1(Cl)Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000856896123 662050703 /nfs/dbraw/zinc/05/07/03/662050703.db2.gz RICLADGERPCRDC-OAHLLOKOSA-N 0 1 378.344 2.714 20 0 GFADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000857418504 662079198 /nfs/dbraw/zinc/07/91/98/662079198.db2.gz HHZSCTKYTUCZBK-UHFFFAOYSA-N 0 1 378.270 2.948 20 0 GFADMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cn3cc(Br)ncc3n2)C1 ZINC000857862626 662092488 /nfs/dbraw/zinc/09/24/88/662092488.db2.gz HQSOVCMNEYROTC-WPRPVWTQSA-N 0 1 375.230 2.520 20 0 GFADMN COc1ccc(OC)c([C@H](O)CNCc2cc(C)c(Br)cn2)c1 ZINC000858093364 662098311 /nfs/dbraw/zinc/09/83/11/662098311.db2.gz ZHEJFYRBZRJFNC-MRXNPFEDSA-N 0 1 381.270 2.993 20 0 GFADMN C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)nc1F)[NH+]1CCCCC1 ZINC000859106129 662137896 /nfs/dbraw/zinc/13/78/96/662137896.db2.gz TWLJEJVWXALGRE-LLVKDONJSA-N 0 1 394.310 2.526 20 0 GFADMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 ZINC000859145688 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ZINC000551266082 564644894 /nfs/dbraw/zinc/64/48/94/564644894.db2.gz VPHKWHYCDMIUHP-RHSMWYFYSA-N 0 1 399.296 2.920 20 0 GFADMN COc1cccc(N2C[C@@H](NCc3ccc(Br)cn3)CC2=O)c1 ZINC000522248109 564647875 /nfs/dbraw/zinc/64/78/75/564647875.db2.gz UPPFWRIZJKFJRY-AWEZNQCLSA-N 0 1 376.254 2.748 20 0 GFADMN COc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1S(=O)(=O)N(C)C ZINC000522313557 564650287 /nfs/dbraw/zinc/65/02/87/564650287.db2.gz LTEYTBOJPPBLBV-UHFFFAOYSA-N 0 1 384.841 2.557 20 0 GFADMN Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)c3ccc(Cl)s3)[C@H](C)C2)n[nH]1 ZINC000457292449 564654477 /nfs/dbraw/zinc/65/44/77/564654477.db2.gz RPSOJYJORZGBFL-VXGBXAGGSA-N 0 1 380.901 2.910 20 0 GFADMN CCCc1ccc(Cl)c(S(=O)(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000551563431 564655448 /nfs/dbraw/zinc/65/54/48/564655448.db2.gz JOCZAWVLUYIUKP-OAHLLOKOSA-N 0 1 387.977 2.597 20 0 GFADMN O[C@H](COc1ccc(Br)cc1)CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000523017217 564661138 /nfs/dbraw/zinc/66/11/38/564661138.db2.gz BYZKTTPTUQKGAP-UBHSHLNASA-N 0 1 398.219 2.576 20 0 GFADMN O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000523703455 564672099 /nfs/dbraw/zinc/67/20/99/564672099.db2.gz VPPLTCWGHDNGKV-UHFFFAOYSA-N 0 1 382.873 2.811 20 0 GFADMN COc1ccc(Br)c(CNC(=O)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000487056834 564673411 /nfs/dbraw/zinc/67/34/11/564673411.db2.gz JHOZPLWIEKZOFX-MRXNPFEDSA-N 0 1 384.318 2.939 20 0 GFADMN C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000552074120 564675531 /nfs/dbraw/zinc/67/55/31/564675531.db2.gz BKIISVHEIPCDGO-RZFZLAGVSA-N 0 1 383.510 2.959 20 0 GFADMN CN(CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000574465256 564675668 /nfs/dbraw/zinc/67/56/68/564675668.db2.gz HZGPKTJJDVIOCB-GOSISDBHSA-N 0 1 378.563 2.869 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3cnnn3C)n2)cc1Br ZINC000574488452 564675863 /nfs/dbraw/zinc/67/58/63/564675863.db2.gz WMXXMVCLGDGUOP-UHFFFAOYSA-N 0 1 381.259 2.664 20 0 GFADMN O=c1[nH]nc2n1CCN(Cc1cc(C(F)(F)F)ccc1Br)C2 ZINC000574492386 564676532 /nfs/dbraw/zinc/67/65/32/564676532.db2.gz 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O=C(Nc1cc2ccccn2n1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000552986116 564705986 /nfs/dbraw/zinc/70/59/86/564705986.db2.gz LAPUOCACISJVQU-UHFFFAOYSA-N 0 1 383.205 3.191 20 0 GFADMN C[C@H]1CSCCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000488194820 564706350 /nfs/dbraw/zinc/70/63/50/564706350.db2.gz FNOKGEIZCRXIHF-CYBMUJFWSA-N 0 1 376.444 2.885 20 0 GFADMN CCN1CC[NH+](CCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000553272809 564714499 /nfs/dbraw/zinc/71/44/99/564714499.db2.gz NXRHHCZIKMNTFW-UHFFFAOYSA-N 0 1 395.267 3.302 20 0 GFADMN COC[C@H](C)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000526062449 564717782 /nfs/dbraw/zinc/71/77/82/564717782.db2.gz ICWZFHRNRSELJM-CYBMUJFWSA-N 0 1 375.296 2.799 20 0 GFADMN C[C@@H]1NC(=O)N(CCN(C)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802285 564720000 /nfs/dbraw/zinc/72/00/00/564720000.db2.gz QJKWIERNSIAPMC-GXFFZTMASA-N 0 1 398.326 2.858 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)N1CCCC1 ZINC000553450102 564721715 /nfs/dbraw/zinc/72/17/15/564721715.db2.gz 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/nfs/dbraw/zinc/73/46/30/564734630.db2.gz XDUGMGRALRMZJI-UHFFFAOYSA-N 0 1 376.254 2.695 20 0 GFADMN CC(C)[C@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CCN1C ZINC000489317162 564735000 /nfs/dbraw/zinc/73/50/00/564735000.db2.gz GPDLGWACYOBNSQ-CQSZACIVSA-N 0 1 383.286 2.633 20 0 GFADMN CC(C)[C@H]1CN(C(=O)NCc2nc3c(cccc3Br)[nH]2)CCN1C ZINC000459188731 564735642 /nfs/dbraw/zinc/73/56/42/564735642.db2.gz CLWLKIBNRXSDAC-CQSZACIVSA-N 0 1 394.317 2.807 20 0 GFADMN CCOC(=O)C[C@@H](C)N(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459193749 564735751 /nfs/dbraw/zinc/73/57/51/564735751.db2.gz FVKMZDLRUIQTRS-SNVBAGLBSA-N 0 1 397.273 2.809 20 0 GFADMN CN(C(=O)c1cccc(Br)c1O)[C@H](CC(N)=O)c1ccccc1 ZINC000527274605 564736192 /nfs/dbraw/zinc/73/61/92/564736192.db2.gz FEGSDYPXIPOIRU-CQSZACIVSA-N 0 1 377.238 2.843 20 0 GFADMN CC(C)C[C@H](CO)N(C)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459206376 564736807 /nfs/dbraw/zinc/73/68/07/564736807.db2.gz JZOXKBIPBPHVFZ-LLVKDONJSA-N 0 1 383.290 2.874 20 0 GFADMN O=S(=O)(N1CCN(CC2CCC(F)(F)CC2)CC1)N1CCCCCC1 ZINC000459299726 564738784 /nfs/dbraw/zinc/73/87/84/564738784.db2.gz HSOJJMLSWKNZTK-UHFFFAOYSA-N 0 1 379.517 2.550 20 0 GFADMN COC(=O)CC1(NCCS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000459396295 564742147 /nfs/dbraw/zinc/74/21/47/564742147.db2.gz IIRSVGLGEMEWNK-UHFFFAOYSA-N 0 1 380.293 2.843 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)c1 ZINC000489739309 564751639 /nfs/dbraw/zinc/75/16/39/564751639.db2.gz KZTMBBLGYXUIAE-UHFFFAOYSA-N 0 1 378.841 2.789 20 0 GFADMN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccsc2Br)cn1 ZINC000527694864 564756056 /nfs/dbraw/zinc/75/60/56/564756056.db2.gz KWMMZWXDQURZCN-OCCSQVGLSA-N 0 1 383.315 2.837 20 0 GFADMN Cc1cc(N2CCC[C@@H](NCc3ncc(Br)cc3F)C2)n(C)n1 ZINC000527698759 564756226 /nfs/dbraw/zinc/75/62/26/564756226.db2.gz CHGZBPSKUXSFRB-CYBMUJFWSA-N 0 1 382.281 2.784 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459693743 564757433 /nfs/dbraw/zinc/75/74/33/564757433.db2.gz 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564779078 /nfs/dbraw/zinc/77/90/78/564779078.db2.gz VWQQJFYYLWUUHK-ZIAGYGMSSA-N 0 1 399.329 2.616 20 0 GFADMN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000580908209 564779261 /nfs/dbraw/zinc/77/92/61/564779261.db2.gz QMEBCFJASZBZLM-SNVBAGLBSA-N 0 1 395.308 2.543 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1ccc2c(c1)OCCO2 ZINC000460831353 564781922 /nfs/dbraw/zinc/78/19/22/564781922.db2.gz LEBVAXXVJBNEDX-UHFFFAOYSA-N 0 1 375.324 2.999 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1N1CCCC1 ZINC000580968132 564782116 /nfs/dbraw/zinc/78/21/16/564782116.db2.gz ZYLMZEXRJVXABS-KGLIPLIRSA-N 0 1 378.922 2.679 20 0 GFADMN C[C@H](CNC(=O)CN(C)[C@H]1CCSC1)Oc1cccc(Br)c1 ZINC000491090238 564786393 /nfs/dbraw/zinc/78/63/93/564786393.db2.gz XDJCSSNKWYDARN-OCCSQVGLSA-N 0 1 387.343 2.770 20 0 GFADMN CCCN1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000491205891 564788617 /nfs/dbraw/zinc/78/86/17/564788617.db2.gz RAWBQWWLJOFVRA-UHFFFAOYSA-N 0 1 378.274 2.952 20 0 GFADMN 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1 375.803 2.610 20 0 GFADMN Cc1cc(NC(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)ccc1Br ZINC000658120113 565150039 /nfs/dbraw/zinc/15/00/39/565150039.db2.gz IVJDLMLLPIIEJX-CYBMUJFWSA-N 0 1 382.302 2.685 20 0 GFADMN C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658204590 565156314 /nfs/dbraw/zinc/15/63/14/565156314.db2.gz BKMTVERPHZQZMZ-CYBMUJFWSA-N 0 1 391.530 2.627 20 0 GFADMN CCN(C(=O)C(=O)Nc1c(C)cc(C)cc1Br)[C@H]1CCN(C)C1 ZINC000658362931 565161791 /nfs/dbraw/zinc/16/17/91/565161791.db2.gz UNMJNTLIMYKKOL-ZDUSSCGKSA-N 0 1 382.302 2.557 20 0 GFADMN COc1cccc(C[C@H](N)C(=O)NCc2cc(OC)ccc2Br)c1 ZINC000637936035 565177875 /nfs/dbraw/zinc/17/78/75/565177875.db2.gz MLUBGXYXLXTNEV-KRWDZBQOSA-N 0 1 393.281 2.653 20 0 GFADMN COc1nsc(CNCCCN2CCCCCC2=O)c1Br ZINC000638298788 565191479 /nfs/dbraw/zinc/19/14/79/565191479.db2.gz SLBJLNFHTVBPIR-UHFFFAOYSA-N 0 1 376.320 2.797 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000590618783 565194098 /nfs/dbraw/zinc/19/40/98/565194098.db2.gz VUCCQUYNLZNBHQ-UHFFFAOYSA-N 0 1 394.269 2.543 20 0 GFADMN N[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CC[C@H]1F ZINC000659110147 565202814 /nfs/dbraw/zinc/20/28/14/565202814.db2.gz ZCXGOFYDYXJYCZ-NXEZZACHSA-N 0 1 395.834 2.533 20 0 GFADMN CC(C)(N)c1nocc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000638773117 565210317 /nfs/dbraw/zinc/21/03/17/565210317.db2.gz HCYAKQXGRWJUSA-UHFFFAOYSA-N 0 1 382.233 2.969 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000616923485 565217319 /nfs/dbraw/zinc/21/73/19/565217319.db2.gz JDSFTTCDRCGLPS-OAHLLOKOSA-N 0 1 381.263 2.980 20 0 GFADMN CN(Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000639043972 565222099 /nfs/dbraw/zinc/22/20/99/565222099.db2.gz DBZKQKIILWJNQJ-ZBFHGGJFSA-N 0 1 384.498 2.887 20 0 GFADMN CS(=O)(=O)CC1(CCNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000617181007 565225077 /nfs/dbraw/zinc/22/50/77/565225077.db2.gz RKSOXSFASKMJBT-UHFFFAOYSA-N 0 1 387.914 2.736 20 0 GFADMN CN(CCc1nnn(C(C)(C)C)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000659852023 565226595 /nfs/dbraw/zinc/22/65/95/565226595.db2.gz JOIWZMNIJCTGGM-GDBMZVCRSA-N 0 1 384.311 2.868 20 0 GFADMN Nc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c(F)c1 ZINC000659899856 565229502 /nfs/dbraw/zinc/22/95/02/565229502.db2.gz KPZMZLUMNNKVHN-ZDUSSCGKSA-N 0 1 383.514 2.660 20 0 GFADMN C[C@](CO)(NCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1 ZINC000639237708 565234485 /nfs/dbraw/zinc/23/44/85/565234485.db2.gz LZUIMTIWRJEFLP-MRXNPFEDSA-N 0 1 389.304 2.638 20 0 GFADMN COc1nsc(CNC[C@H](c2nnc[nH]2)c2ccccc2)c1Br ZINC000639236740 565234515 /nfs/dbraw/zinc/23/45/15/565234515.db2.gz WJOOBFUOINTIBD-NSHDSACASA-N 0 1 394.298 2.954 20 0 GFADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000660009407 565237471 /nfs/dbraw/zinc/23/74/71/565237471.db2.gz RUCGEBBTUGYRQZ-AWEZNQCLSA-N 0 1 380.432 2.831 20 0 GFADMN COc1nsc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1Br ZINC000639351657 565240712 /nfs/dbraw/zinc/24/07/12/565240712.db2.gz JPJWCLFEYVULHX-RNCFNFMXSA-N 0 1 386.271 2.635 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000592098684 565255846 /nfs/dbraw/zinc/25/58/46/565255846.db2.gz XYGYBIIPABAAQR-MRXNPFEDSA-N 0 1 383.330 2.954 20 0 GFADMN O=C(CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1)Nc1ccccc1Br ZINC000639768698 565258568 /nfs/dbraw/zinc/25/85/68/565258568.db2.gz SFWINCGOSIFDSM-WBVHZDCISA-N 0 1 397.313 2.687 20 0 GFADMN Cc1csc(=O)n1CCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639772187 565259987 /nfs/dbraw/zinc/25/99/87/565259987.db2.gz IGARNIKPYTXVGX-ZDUSSCGKSA-N 0 1 384.299 2.529 20 0 GFADMN CN(CC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1)[C@H]1CCSC1 ZINC000617838450 565263135 /nfs/dbraw/zinc/26/31/35/565263135.db2.gz SEYKIHAJYLCMFO-HKUYNNGSSA-N 0 1 382.957 2.985 20 0 GFADMN O=S(=O)([N-]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ncccc1C(F)(F)F ZINC000660177892 565263452 /nfs/dbraw/zinc/26/34/52/565263452.db2.gz BVDOKYBSRDVEPH-CYBMUJFWSA-N 0 1 377.432 2.501 20 0 GFADMN O=S(=O)([N-]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ncccc1C(F)(F)F ZINC000660177892 565263458 /nfs/dbraw/zinc/26/34/58/565263458.db2.gz BVDOKYBSRDVEPH-CYBMUJFWSA-N 0 1 377.432 2.501 20 0 GFADMN Brc1cc2c(cc1CN1CCC[C@H](n3ccnn3)CC1)OCO2 ZINC000639814154 565263695 /nfs/dbraw/zinc/26/36/95/565263695.db2.gz CNSOWLFHGMREMF-ZDUSSCGKSA-N 0 1 379.258 2.997 20 0 GFADMN CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3cccnc32)CCN1 ZINC000660183259 565264846 /nfs/dbraw/zinc/26/48/46/565264846.db2.gz DHRJTVNPFYJGIX-AWEZNQCLSA-N 0 1 398.326 2.616 20 0 GFADMN COCc1nc(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n[nH]1 ZINC000617939170 565269265 /nfs/dbraw/zinc/26/92/65/565269265.db2.gz YGJAOSMJHMJRAH-UHFFFAOYSA-N 0 1 377.857 2.966 20 0 GFADMN COCc1nnc(CNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)[nH]1 ZINC000617939170 565269267 /nfs/dbraw/zinc/26/92/67/565269267.db2.gz YGJAOSMJHMJRAH-UHFFFAOYSA-N 0 1 377.857 2.966 20 0 GFADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC1CN(C)C1 ZINC000618193301 565279495 /nfs/dbraw/zinc/27/94/95/565279495.db2.gz RAKHTKFFZOKDFR-MRXNPFEDSA-N 0 1 383.330 2.664 20 0 GFADMN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C[C@H](C)C1O ZINC000618262108 565283820 /nfs/dbraw/zinc/28/38/20/565283820.db2.gz QPYZCQILEBBESE-QWRGUYRKSA-N 0 1 378.270 2.928 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618361259 565292911 /nfs/dbraw/zinc/29/29/11/565292911.db2.gz IQYGSJJVOBUWEK-MLGOLLRUSA-N 0 1 399.354 2.822 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000618362248 565293959 /nfs/dbraw/zinc/29/39/59/565293959.db2.gz ANBDRVSKIALILR-WBMJQRKESA-N 0 1 378.270 2.951 20 0 GFADMN CC[N@H+]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000660796781 565294423 /nfs/dbraw/zinc/29/44/23/565294423.db2.gz VOAATOVUEWFROG-OAHLLOKOSA-N 0 1 382.346 2.824 20 0 GFADMN CN(CC(=O)N1CCOC[C@H]1c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000618365007 565296035 /nfs/dbraw/zinc/29/60/35/565296035.db2.gz SWMPXBOZWKEEMV-HOTGVXAUSA-N 0 1 399.354 2.786 20 0 GFADMN C[C@H](CN1CCN(C)CC1)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000592790403 565296167 /nfs/dbraw/zinc/29/61/67/565296167.db2.gz XAVXWJFNUMLOBL-GFCCVEGCSA-N 0 1 376.353 2.838 20 0 GFADMN CN1CC[C@@H](CNC(=O)NCCOCCF)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660966137 565300555 /nfs/dbraw/zinc/30/05/55/565300555.db2.gz NCCDASJUVAJUSB-BBRMVZONSA-N 0 1 375.847 2.757 20 0 GFADMN CN1CC[C@@H](CNC(=O)NCCOCCF)[C@H]1c1ccc(Cl)c(F)c1 ZINC000660966140 565300576 /nfs/dbraw/zinc/30/05/76/565300576.db2.gz NCCDASJUVAJUSB-XJKSGUPXSA-N 0 1 375.847 2.757 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCN(Cc2cscn2)CC1 ZINC000592848949 565300932 /nfs/dbraw/zinc/30/09/32/565300932.db2.gz FHAYKJGPMDXXTH-UHFFFAOYSA-N 0 1 382.283 2.569 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3cccc(C(=O)OC)c3C2)c1Br ZINC000592885901 565303361 /nfs/dbraw/zinc/30/33/61/565303361.db2.gz RJNWGVVSGREFJD-UHFFFAOYSA-N 0 1 392.253 2.720 20 0 GFADMN C[C@H]1SCC[C@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000592904104 565304029 /nfs/dbraw/zinc/30/40/29/565304029.db2.gz LYJBHQDKNBIRNI-GMSGAONNSA-N 0 1 387.246 2.791 20 0 GFADMN O=C1[C@@H](N2CC[C@@H](Cn3ccnn3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000661145115 565310533 /nfs/dbraw/zinc/31/05/33/565310533.db2.gz ILMDNUBHPUATQD-WBMJQRKESA-N 0 1 380.279 2.712 20 0 GFADMN CCCCCNC(=O)[C@@H](C)n1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640905163 565335924 /nfs/dbraw/zinc/33/59/24/565335924.db2.gz WXOFYIAIUMPXPA-MLGOLLRUSA-N 0 1 394.317 2.956 20 0 GFADMN CNC(C)(C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640925179 565337185 /nfs/dbraw/zinc/33/71/85/565337185.db2.gz IBJRSAOEXFNFKA-LBPRGKRZSA-N 0 1 394.317 2.715 20 0 GFADMN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H](CO)CCF ZINC000593689613 565356130 /nfs/dbraw/zinc/35/61/30/565356130.db2.gz ODDRAFIGUOTDFY-LLVKDONJSA-N 0 1 390.242 2.776 20 0 GFADMN CC(C)(N)c1noc(CN2CCOC[C@H]2c2cccc(Br)c2)n1 ZINC000662310611 565360573 /nfs/dbraw/zinc/36/05/73/565360573.db2.gz LMHWAVSDQRDBKI-ZDUSSCGKSA-N 0 1 381.274 2.599 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)c1cccs1 ZINC000662347515 565361757 /nfs/dbraw/zinc/36/17/57/565361757.db2.gz GMGCOWHQMILMFP-UKRRQHHQSA-N 0 1 382.327 2.930 20 0 GFADMN CN1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000619937832 565363787 /nfs/dbraw/zinc/36/37/87/565363787.db2.gz MMMJRJRXTSCCLW-JKSUJKDBSA-N 0 1 382.302 2.626 20 0 GFADMN O=C([C@H]1Cc2ccccc2CN1)N1CCOc2cc(Br)ccc2C1 ZINC000662938786 565389449 /nfs/dbraw/zinc/38/94/49/565389449.db2.gz HYZSVNANVBKHKO-QGZVFWFLSA-N 0 1 387.277 2.885 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)CCn1cc(Br)cn1)c1ccco1 ZINC000620725494 565394128 /nfs/dbraw/zinc/39/41/28/565394128.db2.gz ZARKKYRXSMHXMF-AWEZNQCLSA-N 0 1 383.290 2.828 20 0 GFADMN NC(=O)c1ccc(NS(=O)(=O)CCC2CCCC2)c(OCC(F)F)c1 ZINC000641686797 565394675 /nfs/dbraw/zinc/39/46/75/565394675.db2.gz AKLGZBSSBSARBU-UHFFFAOYSA-N 0 1 376.425 2.751 20 0 GFADMN CN1C[C@H](NCc2cc(Br)sc2Br)CCC1=O ZINC000641726562 565396311 /nfs/dbraw/zinc/39/63/11/565396311.db2.gz PUMVJLFMNKNBHF-MRVPVSSYSA-N 0 1 382.121 2.984 20 0 GFADMN O=C1NCCC[C@@H]1CNCc1cc(Br)sc1Br ZINC000641761962 565397408 /nfs/dbraw/zinc/39/74/08/565397408.db2.gz CARGSBXWHOEVKE-SSDOTTSWSA-N 0 1 382.121 2.889 20 0 GFADMN C[C@]1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC[NH2+]C1 ZINC000663312581 565411326 /nfs/dbraw/zinc/41/13/26/565411326.db2.gz DCMOVZGLDQOFCN-NSHDSACASA-N 0 1 388.114 2.786 20 0 GFADMN C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC[NH2+]C1 ZINC000663312039 565412024 /nfs/dbraw/zinc/41/20/24/565412024.db2.gz SWWPEGAYJANJQX-NSHDSACASA-N 0 1 388.114 2.786 20 0 GFADMN CC[C@@H](CN1CCCC1)NC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000642694402 565416449 /nfs/dbraw/zinc/41/64/49/565416449.db2.gz DFLHWDPSYQOPCQ-YDHLFZDLSA-N 0 1 385.555 2.529 20 0 GFADMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1cc(Br)cnn1 ZINC000663656724 565430685 /nfs/dbraw/zinc/43/06/85/565430685.db2.gz AZJPIADGWKXMLY-AWEZNQCLSA-N 0 1 376.302 2.862 20 0 GFADMN C[N@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000663775552 565435294 /nfs/dbraw/zinc/43/52/94/565435294.db2.gz YYWYHHXVETWYNU-JKSUJKDBSA-N 0 1 382.302 2.626 20 0 GFADMN CN1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1 ZINC000663775552 565435298 /nfs/dbraw/zinc/43/52/98/565435298.db2.gz YYWYHHXVETWYNU-JKSUJKDBSA-N 0 1 382.302 2.626 20 0 GFADMN C[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1CO ZINC000621736552 565439488 /nfs/dbraw/zinc/43/94/88/565439488.db2.gz CXESSKVHYJMDAM-GDBMZVCRSA-N 0 1 383.330 2.736 20 0 GFADMN O=C(CN[C@H]1CCc2ccc(I)cc21)NC1CCCC1 ZINC000595020505 565444012 /nfs/dbraw/zinc/44/40/12/565444012.db2.gz ZVTLVSHSQQUAOE-HNNXBMFYSA-N 0 1 384.261 2.927 20 0 GFADMN CC(C)(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnc[nH]1 ZINC000621854843 565445155 /nfs/dbraw/zinc/44/51/55/565445155.db2.gz LIFFXVDGYVDVCB-ZDUSSCGKSA-N 0 1 377.286 2.845 20 0 GFADMN CC(C)(C(=O)NCc1nn[nH]n1)c1csc(-c2c(F)cccc2Cl)n1 ZINC000643982684 565454138 /nfs/dbraw/zinc/45/41/38/565454138.db2.gz NEKZIGXFPXZFCC-UHFFFAOYSA-N 0 1 380.836 2.710 20 0 GFADMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644189888 565462845 /nfs/dbraw/zinc/46/28/45/565462845.db2.gz COOFLPMSFCYELV-NSHDSACASA-N 0 1 384.395 2.877 20 0 GFADMN CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000664601619 565469136 /nfs/dbraw/zinc/46/91/36/565469136.db2.gz WYOVVFGOCGNKGU-CQSZACIVSA-N 0 1 382.251 2.663 20 0 GFADMN C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000644297967 565471239 /nfs/dbraw/zinc/47/12/39/565471239.db2.gz BYEZTMHPQJEWMI-UFBFGSQYSA-N 0 1 397.697 2.566 20 0 GFADMN CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000644297967 565471242 /nfs/dbraw/zinc/47/12/42/565471242.db2.gz BYEZTMHPQJEWMI-UFBFGSQYSA-N 0 1 397.697 2.566 20 0 GFADMN O=C(CCc1ccccc1Br)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000622609471 565472476 /nfs/dbraw/zinc/47/24/76/565472476.db2.gz ACDUKOQGQQIHJO-MRXNPFEDSA-N 0 1 386.253 2.801 20 0 GFADMN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000622773938 565475084 /nfs/dbraw/zinc/47/50/84/565475084.db2.gz OUZHPPSORNJBRS-JDNHERCYSA-N 0 1 377.242 2.988 20 0 GFADMN CN(C(=O)N[C@@H]1CCc2nc[nH]c2C1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000664925798 565484514 /nfs/dbraw/zinc/48/45/14/565484514.db2.gz CJESHSOTFRVUQV-BMIGLBTASA-N 0 1 383.279 2.949 20 0 GFADMN O=C(c1c(F)ccc(Br)c1F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000644884328 565500474 /nfs/dbraw/zinc/50/04/74/565500474.db2.gz NAIUPPCOPCNNDU-ZETCQYMHSA-N 0 1 388.168 2.836 20 0 GFADMN O=C(NCCN1CCC1)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000645044137 565508744 /nfs/dbraw/zinc/50/87/44/565508744.db2.gz FICNZSQQKZCZKY-UHFFFAOYSA-N 0 1 384.171 2.510 20 0 GFADMN CN(C)[C@@H](CNC(=O)NCc1c(C(F)(F)F)cnn1C)c1ccsc1 ZINC000623408865 565509166 /nfs/dbraw/zinc/50/91/66/565509166.db2.gz HINSZCXANYVCIG-LBPRGKRZSA-N 0 1 375.420 2.603 20 0 GFADMN CC(C)Oc1ncccc1CN[C@H](C)Cn1cc(Br)ccc1=O ZINC000666082828 565522092 /nfs/dbraw/zinc/52/20/92/565522092.db2.gz FJKIPLSOEQCGJQ-CYBMUJFWSA-N 0 1 380.286 2.971 20 0 GFADMN COc1ccc2c(c1)OCC[C@H]2NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000666279559 565530466 /nfs/dbraw/zinc/53/04/66/565530466.db2.gz NKCXLNSHJRKPFW-OAHLLOKOSA-N 0 1 382.869 2.609 20 0 GFADMN C[C@H](NCc1c(C(F)(F)F)cnn1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000624053060 565540843 /nfs/dbraw/zinc/54/08/43/565540843.db2.gz XUKGUYGHGOLJQD-JTQLQIEISA-N 0 1 376.404 2.661 20 0 GFADMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@]1(N(C)C)CCSC1 ZINC000645583496 565541481 /nfs/dbraw/zinc/54/14/81/565541481.db2.gz RHTZXTDHQJCUGW-GOSISDBHSA-N 0 1 386.583 2.708 20 0 GFADMN C[C@@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cn1 ZINC000624264250 565550223 /nfs/dbraw/zinc/55/02/23/565550223.db2.gz WYUSMUUHDMUGOH-RHSMWYFYSA-N 0 1 391.313 2.791 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cn(C)cc(Br)c2=O)n[nH]1 ZINC000666695864 565550742 /nfs/dbraw/zinc/55/07/42/565550742.db2.gz NUCVLQPDPNODLR-BDAKNGLRSA-N 0 1 397.277 2.662 20 0 GFADMN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)n[nH]1 ZINC000645712865 565554131 /nfs/dbraw/zinc/55/41/31/565554131.db2.gz GWSMDNWRMSGJGB-ZCFIWIBFSA-N 0 1 384.767 2.705 20 0 GFADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)c1cnc(OC)c(Cl)c1)c1ccco1 ZINC000645709761 565554429 /nfs/dbraw/zinc/55/44/29/565554429.db2.gz SMILPRNIMJFUQP-FZMZJTMJSA-N 0 1 387.889 2.744 20 0 GFADMN COc1cc(Br)c(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1O ZINC000597183327 565554529 /nfs/dbraw/zinc/55/45/29/565554529.db2.gz STMYFRHNQPQKJA-IDFMNXDXSA-N 0 1 376.316 2.943 20 0 GFADMN COCc1nc(CNC(=O)Nc2cc3c(cc2Br)CCC3)n[nH]1 ZINC000666896049 565562301 /nfs/dbraw/zinc/56/23/01/565562301.db2.gz HCKHQOHFXMSLLK-UHFFFAOYSA-N 0 1 380.246 2.524 20 0 GFADMN COCc1nnc(CNC(=O)Nc2cc3c(cc2Br)CCC3)[nH]1 ZINC000666896049 565562304 /nfs/dbraw/zinc/56/23/04/565562304.db2.gz HCKHQOHFXMSLLK-UHFFFAOYSA-N 0 1 380.246 2.524 20 0 GFADMN C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1cc(F)c(Br)cc1F ZINC000624547995 565563491 /nfs/dbraw/zinc/56/34/91/565563491.db2.gz CBRLWGRQMCAEKK-SECBINFHSA-N 0 1 376.245 2.991 20 0 GFADMN C[C@H]1CC2(CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1O)CCOCC2 ZINC000645854463 565568587 /nfs/dbraw/zinc/56/85/87/565568587.db2.gz JHYMMYHODGCVSF-NSHDSACASA-N 0 1 379.400 2.991 20 0 GFADMN COc1ccc(Br)cc1C1(NC[C@H](C)CS(C)(=O)=O)CC1 ZINC000645974241 565579432 /nfs/dbraw/zinc/57/94/32/565579432.db2.gz CHHGCLUKIBEESU-NSHDSACASA-N 0 1 376.316 2.717 20 0 GFADMN CN1CC2(C1)CCN(C(=O)[C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000646020513 565582653 /nfs/dbraw/zinc/58/26/53/565582653.db2.gz LTADUCFJKIMHEH-CYBMUJFWSA-N 0 1 382.291 2.510 20 0 GFADMN C[C@@H]1CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)C[C@@H](C(F)(F)F)O1 ZINC000646135909 565587984 /nfs/dbraw/zinc/58/79/84/565587984.db2.gz DAFUPYFEMWHDJN-LJWDBELGSA-N 0 1 395.219 2.801 20 0 GFADMN CC(C)CN1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625045120 565592833 /nfs/dbraw/zinc/59/28/33/565592833.db2.gz STCBDIXGQPMPKC-KRWDZBQOSA-N 0 1 380.330 2.976 20 0 GFADMN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncc(Br)c2C)C1 ZINC000667544078 565593595 /nfs/dbraw/zinc/59/35/95/565593595.db2.gz VFENRFTYGBEEHU-TZMCWYRMSA-N 0 1 384.318 2.516 20 0 GFADMN Cc1ncsc1-c1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000667560218 565594421 /nfs/dbraw/zinc/59/44/21/565594421.db2.gz RDQCKICLQWNBPE-UHFFFAOYSA-N 0 1 379.551 2.974 20 0 GFADMN Cn1ccnc1[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265915 565613755 /nfs/dbraw/zinc/61/37/55/565613755.db2.gz KPQQBCDADBGDBH-CJNGLKHVSA-N 0 1 389.297 2.925 20 0 GFADMN CCCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@@H]1CCN(C)C1 ZINC000646766302 565617803 /nfs/dbraw/zinc/61/78/03/565617803.db2.gz VVJLHWJOYBPZNE-CYBMUJFWSA-N 0 1 382.302 2.639 20 0 GFADMN C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000625291929 565617768 /nfs/dbraw/zinc/61/77/68/565617768.db2.gz ZCVCRMXMUINWIE-RYUDHWBXSA-N 0 1 386.286 2.537 20 0 GFADMN CCC[C@H]1CNCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000646961222 565629845 /nfs/dbraw/zinc/62/98/45/565629845.db2.gz RGDZIYHBRWOCJN-LBPRGKRZSA-N 0 1 378.270 2.917 20 0 GFADMN Brc1ccc2nc(CN3CCC(N4CCOCC4)CC3)oc2c1 ZINC000625545137 565637352 /nfs/dbraw/zinc/63/73/52/565637352.db2.gz NRIXCNBHTMMBDC-UHFFFAOYSA-N 0 1 380.286 2.887 20 0 GFADMN COc1ncc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1Cl ZINC000647124150 565638159 /nfs/dbraw/zinc/63/81/59/565638159.db2.gz RFFKDDLFVOGVQZ-UHFFFAOYSA-N 0 1 381.845 2.870 20 0 GFADMN Cc1cc(Br)cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000668377693 565644626 /nfs/dbraw/zinc/64/46/26/565644626.db2.gz DNTMOAZBVBPHNT-IRXDYDNUSA-N 0 1 381.314 2.737 20 0 GFADMN COc1ccccc1[C@@H](N)CNS(=O)(=O)c1cc(Br)ccc1C ZINC000647186432 565644660 /nfs/dbraw/zinc/64/46/60/565644660.db2.gz MJWKCAATTFHCJH-AWEZNQCLSA-N 0 1 399.310 2.744 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)CCc1ccc(OC)cc1Br ZINC000598848434 565646678 /nfs/dbraw/zinc/64/66/78/565646678.db2.gz WTYWMHPPOFWBAA-UHFFFAOYSA-N 0 1 382.214 2.539 20 0 GFADMN CCOc1c(Br)cc(CN2CC[C@H](Cn3ccnn3)C2)cc1OC ZINC000668451640 565647151 /nfs/dbraw/zinc/64/71/51/565647151.db2.gz LUNBETVJHVPTKS-ZDUSSCGKSA-N 0 1 395.301 2.970 20 0 GFADMN CN(CCc1ccccc1)[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000668566185 565655749 /nfs/dbraw/zinc/65/57/49/565655749.db2.gz HVEQNAACTOEYCK-QGZVFWFLSA-N 0 1 378.563 2.900 20 0 GFADMN C[C@@H](NC[C@@H](O)COC1CCOCC1)c1cc(F)c(Br)cc1F ZINC000625750918 565657129 /nfs/dbraw/zinc/65/71/29/565657129.db2.gz DAZXAXGHIDERSF-GHMZBOCLSA-N 0 1 394.256 2.934 20 0 GFADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625774658 565658227 /nfs/dbraw/zinc/65/82/27/565658227.db2.gz QZJXKNQQNWQYSH-SJORKVTESA-N 0 1 382.551 2.779 20 0 GFADMN C[C@@H](c1cccc(Br)c1)N1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807426 565661634 /nfs/dbraw/zinc/66/16/34/565661634.db2.gz QLSDYWQMFIGUJA-NSHDSACASA-N 0 1 378.274 2.538 20 0 GFADMN CCOc1cc(CNCC2(S(=O)(=O)CC)CC2)cc(Br)c1O ZINC000668694553 565662472 /nfs/dbraw/zinc/66/24/72/565662472.db2.gz CVQUGORZXSIMIO-UHFFFAOYSA-N 0 1 392.315 2.610 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC2(CN(C)C2)C1 ZINC000647622455 565667564 /nfs/dbraw/zinc/66/75/64/565667564.db2.gz ISXLMYXJWDNRLD-UHFFFAOYSA-N 0 1 389.297 2.721 20 0 GFADMN Cc1cc(C)c(CNC(=O)c2n[nH]c3ccc(Br)cc32)c(=O)[nH]1 ZINC000599348354 565671419 /nfs/dbraw/zinc/67/14/19/565671419.db2.gz YUYMBTYOUHXKAJ-UHFFFAOYSA-N 0 1 375.226 2.973 20 0 GFADMN O=C(NCCN1CC[C@@H](O)C1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000626229008 565684701 /nfs/dbraw/zinc/68/47/01/565684701.db2.gz UBMAKUNOLAXLAJ-CQSZACIVSA-N 0 1 380.901 2.575 20 0 GFADMN O=C(NCCN1CC[C@@H](O)C1)Nc1ccc(Br)cc1C(F)(F)F ZINC000626308217 565687594 /nfs/dbraw/zinc/68/75/94/565687594.db2.gz LVPCNSZIDJAYPQ-SNVBAGLBSA-N 0 1 396.207 2.656 20 0 GFADMN O=C(NCCN1CC[C@@H](O)C1)Nc1cccc(Cl)c1SCC(F)F ZINC000626394028 565689938 /nfs/dbraw/zinc/68/99/38/565689938.db2.gz QMZHUBQWDXVDFR-SNVBAGLBSA-N 0 1 379.860 2.885 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC2(CCO2)CC1 ZINC000669750681 565701340 /nfs/dbraw/zinc/70/13/40/565701340.db2.gz RXEFICWEGYIFPA-UHFFFAOYSA-N 0 1 377.238 2.686 20 0 GFADMN CN(CCNCc1cc2cc(Cl)cnc2o1)S(=O)(=O)c1cccs1 ZINC000648484850 565716414 /nfs/dbraw/zinc/71/64/14/565716414.db2.gz NNIDXNNSRROINH-UHFFFAOYSA-N 0 1 385.898 2.953 20 0 GFADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCc2nc[nH]c2C1 ZINC000627368439 565735054 /nfs/dbraw/zinc/73/50/54/565735054.db2.gz UXLDHQOLKAZUTB-AWEZNQCLSA-N 0 1 392.297 2.952 20 0 GFADMN CCOC(=O)c1cc2cc(NS(=O)(=O)c3cnc(C)n3C)ccc2s1 ZINC000600640071 565739780 /nfs/dbraw/zinc/73/97/80/565739780.db2.gz VZRBDPSWBQOKRF-UHFFFAOYSA-N 0 1 379.463 2.921 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[C@H]1CC12CCSCC2 ZINC000649544715 565765890 /nfs/dbraw/zinc/76/58/90/565765890.db2.gz VUMUQHLCGUQGLG-MFKMUULPSA-N 0 1 381.864 2.731 20 0 GFADMN C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000627981599 565767801 /nfs/dbraw/zinc/76/78/01/565767801.db2.gz CFQOMLYZOZHMFW-CYBMUJFWSA-N 0 1 379.507 2.706 20 0 GFADMN O=C(CCOc1cccc(Br)c1)N1CCC(N2CCOCC2)CC1 ZINC000628128595 565776343 /nfs/dbraw/zinc/77/63/43/565776343.db2.gz MVUCIZMNXJCYQW-UHFFFAOYSA-N 0 1 397.313 2.541 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000671627977 565776943 /nfs/dbraw/zinc/77/69/43/565776943.db2.gz XEWCHRCPBAXOCM-OCCSQVGLSA-N 0 1 383.286 2.615 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@]2(C1)CCCOC2 ZINC000671917363 565791582 /nfs/dbraw/zinc/79/15/82/565791582.db2.gz FGHKRDUZVIQAKS-SFHVURJKSA-N 0 1 391.265 2.933 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)CSc2nncs2)CCN1Cc1ccccc1 ZINC000628612262 565796145 /nfs/dbraw/zinc/79/61/45/565796145.db2.gz YNUPMHALHPVFAJ-INIZCTEOSA-N 0 1 376.551 2.999 20 0 GFADMN Cc1cc(NC(=O)N2CCN(Cc3nnc[nH]3)CC2)cc(C)c1Br ZINC000650159121 565800552 /nfs/dbraw/zinc/80/05/52/565800552.db2.gz QCMWUYMHOXUUHW-UHFFFAOYSA-N 0 1 393.289 2.534 20 0 GFADMN COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CCc1nc[nH]n1 ZINC000628677463 565800854 /nfs/dbraw/zinc/80/08/54/565800854.db2.gz URPRALMBYIYMJK-ZDUSSCGKSA-N 0 1 379.258 2.872 20 0 GFADMN COC(=O)c1ccc(Br)c(-n2[nH]c(C[C@@H]3CCCO3)cc2=O)c1 ZINC000601949320 565809578 /nfs/dbraw/zinc/80/95/78/565809578.db2.gz IHCZRDVVFTVHRK-LBPRGKRZSA-N 0 1 381.226 2.898 20 0 GFADMN COC(=O)CCSc1cc(Cl)ccc1NS(=O)(=O)C[C@H](C)OC ZINC000601977533 565811222 /nfs/dbraw/zinc/81/12/22/565811222.db2.gz MNOYFCCLBAVPQG-JTQLQIEISA-N 0 1 381.903 2.772 20 0 GFADMN CN(CC(=O)NCc1ccc(Br)c(F)c1F)[C@@H]1CCSC1 ZINC000628894027 565814010 /nfs/dbraw/zinc/81/40/10/565814010.db2.gz VSIAGTSLPCVCIQ-SNVBAGLBSA-N 0 1 379.270 2.781 20 0 GFADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 ZINC000602051959 565819029 /nfs/dbraw/zinc/81/90/29/565819029.db2.gz SFLARGVPQFWRNB-UHFFFAOYSA-N 0 1 389.882 2.861 20 0 GFADMN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000629291769 565836676 /nfs/dbraw/zinc/83/66/76/565836676.db2.gz OYCCCBWKILKQOP-LBPRGKRZSA-N 0 1 377.388 2.794 20 0 GFADMN Cc1cc2cc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)oc2c(Br)c1 ZINC000673516866 565839094 /nfs/dbraw/zinc/83/90/94/565839094.db2.gz SQXKCPXGSFWPIQ-ZIAGYGMSSA-N 0 1 393.281 2.785 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)Cc2csc(CCC(F)(F)F)n2)n1 ZINC000602328574 565839463 /nfs/dbraw/zinc/83/94/63/565839463.db2.gz HDUNMJGADYBOFG-UHFFFAOYSA-N 0 1 376.360 2.719 20 0 GFADMN Cc1cc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)ccc1Br ZINC000673629927 565844121 /nfs/dbraw/zinc/84/41/21/565844121.db2.gz XNZDHYNSZPFPJG-MLGOLLRUSA-N 0 1 377.286 2.775 20 0 GFADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1nscc1Br ZINC000651126498 565846474 /nfs/dbraw/zinc/84/64/74/565846474.db2.gz VTPJIWFLUUKOII-UHFFFAOYSA-N 0 1 381.299 2.695 20 0 GFADMN CCC1(N2CCOCC2)CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000629419834 565851089 /nfs/dbraw/zinc/85/10/89/565851089.db2.gz HCRDTULNWKAYDG-UHFFFAOYSA-N 0 1 382.302 2.561 20 0 GFADMN COCCN1CCC[C@@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651273694 565853356 /nfs/dbraw/zinc/85/33/56/565853356.db2.gz VSPGQFBKZRMSTK-HUUCEWRRSA-N 0 1 397.313 2.542 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629502141 565855978 /nfs/dbraw/zinc/85/59/78/565855978.db2.gz PZWSYQILAWSOBD-DVOMOZLQSA-N 0 1 397.313 2.839 20 0 GFADMN CCOC(=O)c1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)[nH]1 ZINC000602662528 565861212 /nfs/dbraw/zinc/86/12/12/565861212.db2.gz OYUCTAGHCVDGAG-QGZVFWFLSA-N 0 1 381.270 2.951 20 0 GFADMN COC(=O)[C@@H]1CN(Cc2ccncc2Br)C[C@H]1c1ccc(O)cc1 ZINC000602728222 565865057 /nfs/dbraw/zinc/86/50/57/565865057.db2.gz ZVCXDXKKJGIZCI-JKSUJKDBSA-N 0 1 391.265 2.938 20 0 GFADMN COCCOCCN1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000651487073 565865763 /nfs/dbraw/zinc/86/57/63/565865763.db2.gz QNPMDPHDKXRKCV-UHFFFAOYSA-N 0 1 394.313 2.782 20 0 GFADMN Cc1cc(CNC(=O)C(=O)Nc2cc(Br)cc(OC(C)C)c2)n[nH]1 ZINC000674471188 565874544 /nfs/dbraw/zinc/87/45/44/565874544.db2.gz BEFWZMSMWBHYGY-UHFFFAOYSA-N 0 1 395.257 2.523 20 0 GFADMN CN(CCn1cc(Br)cn1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000674680089 565880377 /nfs/dbraw/zinc/88/03/77/565880377.db2.gz AOEOXUDHXJEFCY-UHFFFAOYSA-N 0 1 392.232 2.947 20 0 GFADMN CN1CCN(C(C)(C)CNC(=O)Nc2cc(F)ccc2Br)CC1 ZINC000675143103 565893562 /nfs/dbraw/zinc/89/35/62/565893562.db2.gz PMODULWPDMHVJM-UHFFFAOYSA-N 0 1 387.297 2.736 20 0 GFADMN O=C(CCCc1cccc(Br)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000675457295 565903554 /nfs/dbraw/zinc/90/35/54/565903554.db2.gz IYLWFSBDNOKJQA-MSOLQXFVSA-N 0 1 395.341 2.829 20 0 GFADMN CC(C)Oc1cc(N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)ccc1Br ZINC000630538779 565909067 /nfs/dbraw/zinc/90/90/67/565909067.db2.gz GIKKJBZKYBQYRK-ZDUSSCGKSA-N 0 1 393.241 2.627 20 0 GFADMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630592605 565910166 /nfs/dbraw/zinc/91/01/66/565910166.db2.gz UMNSODVXERTWTP-CYBMUJFWSA-N 0 1 378.245 2.988 20 0 GFADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1c[nH]nn1 ZINC000630736396 565918473 /nfs/dbraw/zinc/91/84/73/565918473.db2.gz XTENLKBSSPUCDT-UHFFFAOYSA-N 0 1 384.267 2.921 20 0 GFADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1cnn[nH]1 ZINC000630736396 565918477 /nfs/dbraw/zinc/91/84/77/565918477.db2.gz XTENLKBSSPUCDT-UHFFFAOYSA-N 0 1 384.267 2.921 20 0 GFADMN O=C(Cc1ncn[nH]1)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000630925961 565927420 /nfs/dbraw/zinc/92/74/20/565927420.db2.gz AGLCZJYOTDZODF-ZDUSSCGKSA-N 0 1 382.251 2.674 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc2c(Br)cccc12 ZINC000630948143 565928117 /nfs/dbraw/zinc/92/81/17/565928117.db2.gz AEINPZQOYPRIHL-AWEZNQCLSA-N 0 1 390.325 2.968 20 0 GFADMN CC(C)S(=O)(=O)CCC[N@@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000652469452 565931446 /nfs/dbraw/zinc/93/14/46/565931446.db2.gz SBNJOUCYRNOWCM-UHFFFAOYSA-N 0 1 381.416 2.805 20 0 GFADMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000676477196 565940078 /nfs/dbraw/zinc/94/00/78/565940078.db2.gz FJGNMHPLGMVXGS-MRXNPFEDSA-N 0 1 391.313 2.941 20 0 GFADMN CCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@@H]1CCCOC1 ZINC000652817164 565942007 /nfs/dbraw/zinc/94/20/07/565942007.db2.gz MCTZXEBGJYJJQQ-GFCCVEGCSA-N 0 1 379.254 2.932 20 0 GFADMN O=C(N[C@H]1CCN(C2CC2)C1)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605123757 565947076 /nfs/dbraw/zinc/94/70/76/565947076.db2.gz VVUABLMYTQHFQL-LBPRGKRZSA-N 0 1 393.260 2.740 20 0 GFADMN C[C@H]1CCN(C)CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000605128440 565947095 /nfs/dbraw/zinc/94/70/95/565947095.db2.gz CCBXTSYLTKNTOZ-LBPRGKRZSA-N 0 1 395.276 2.940 20 0 GFADMN O=C(c1n[nH]cc1C(F)(F)F)N1CCC(n2cc(Br)cn2)CC1 ZINC000631202119 565948201 /nfs/dbraw/zinc/94/82/01/565948201.db2.gz YIBIGKCWOPSHHV-UHFFFAOYSA-N 0 1 392.179 2.865 20 0 GFADMN O=C(CCc1nc2cc(Cl)ccc2s1)NC1(c2nn[nH]n2)CCCC1 ZINC000605532971 565952706 /nfs/dbraw/zinc/95/27/06/565952706.db2.gz XJPQLLLJQWRPBQ-UHFFFAOYSA-N 0 1 376.873 2.981 20 0 GFADMN C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000676890806 565953335 /nfs/dbraw/zinc/95/33/35/565953335.db2.gz BTEUBERHZMSUEE-SNVBAGLBSA-N 0 1 381.723 2.723 20 0 GFADMN Brc1ccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cn2c1 ZINC000676901479 565954802 /nfs/dbraw/zinc/95/48/02/565954802.db2.gz ZRJUHBRXVIEGFL-ZDUSSCGKSA-N 0 1 375.274 2.601 20 0 GFADMN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](CC(N)=O)C1 ZINC000676908941 565955518 /nfs/dbraw/zinc/95/55/18/565955518.db2.gz RPDKSEVXOIYUMD-NXEZZACHSA-N 0 1 377.794 2.883 20 0 GFADMN Cc1cc(CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)n[nH]1 ZINC000606493077 565965926 /nfs/dbraw/zinc/96/59/26/565965926.db2.gz OGXFZXKQKXWQPX-CYBMUJFWSA-N 0 1 392.301 2.806 20 0 GFADMN O=C(c1ccc2cncc(Br)c2n1)N1CCC(c2nc[nH]n2)CC1 ZINC000631681545 565967506 /nfs/dbraw/zinc/96/75/06/565967506.db2.gz ASUMMMDJBQSTFU-UHFFFAOYSA-N 0 1 387.241 2.530 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCN([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1 ZINC000653535254 565971897 /nfs/dbraw/zinc/97/18/97/565971897.db2.gz MGLBTYUATQMIDB-ROUUACIJSA-N 0 1 386.945 2.821 20 0 GFADMN CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000631763039 565972307 /nfs/dbraw/zinc/97/23/07/565972307.db2.gz MIVBVHOIBZJLEQ-UHFFFAOYSA-N 0 1 387.977 2.518 20 0 GFADMN CC1CCN([C@H](CNS(=O)(=O)c2c[nH]c(=O)s2)c2ccccc2)CC1 ZINC000631784247 565974791 /nfs/dbraw/zinc/97/47/91/565974791.db2.gz RBEYGKBPNJBRJN-OAHLLOKOSA-N 0 1 381.523 2.600 20 0 GFADMN COc1cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(Br)cc1O ZINC000607169212 565980751 /nfs/dbraw/zinc/98/07/51/565980751.db2.gz MBEDDKBUYOFNJQ-VXGBXAGGSA-N 0 1 392.315 2.609 20 0 GFADMN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCN(C)CC1 ZINC000607331439 565982673 /nfs/dbraw/zinc/98/26/73/565982673.db2.gz AYCJDRCYODTHCD-INIZCTEOSA-N 0 1 383.330 2.808 20 0 GFADMN C[N@H+]1CCC[C@H](NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000677868626 565985715 /nfs/dbraw/zinc/98/57/15/565985715.db2.gz KDVIHDAUCGZXCW-VIFPVBQESA-N 0 1 392.091 2.741 20 0 GFADMN O=S(=O)([N-]Cc1cccc2c1CC[NH2+]C2)c1sccc1Br ZINC000631961743 565986529 /nfs/dbraw/zinc/98/65/29/565986529.db2.gz ANWYESJHHPNMMT-UHFFFAOYSA-N 0 1 387.324 2.635 20 0 GFADMN COc1cc(Br)cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000678016860 565993018 /nfs/dbraw/zinc/99/30/18/565993018.db2.gz XWMMEDNQDYWMKB-JKSUJKDBSA-N 0 1 398.301 2.521 20 0 GFADMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2O)cc1 ZINC000608005050 565996237 /nfs/dbraw/zinc/99/62/37/565996237.db2.gz DEICSYRWJDXKSK-UHFFFAOYSA-N 0 1 399.266 2.938 20 0 GFADMN Cc1ccc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1Br ZINC000678075984 565997350 /nfs/dbraw/zinc/99/73/50/565997350.db2.gz JDBPCPKLECIEQB-MLGOLLRUSA-N 0 1 377.286 2.775 20 0 GFADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000654343277 566006318 /nfs/dbraw/zinc/00/63/18/566006318.db2.gz UJBGAZKRCALWCK-CVEARBPZSA-N 0 1 379.865 2.991 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CC2(CC2(F)F)C1 ZINC000654456946 566011083 /nfs/dbraw/zinc/01/10/83/566011083.db2.gz VSVVHXMBQNIWTB-UHFFFAOYSA-N 0 1 398.211 2.785 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CC2(CC2(F)F)C1 ZINC000654456946 566011085 /nfs/dbraw/zinc/01/10/85/566011085.db2.gz VSVVHXMBQNIWTB-UHFFFAOYSA-N 0 1 398.211 2.785 20 0 GFADMN O=S(=O)(c1ncc[nH]1)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000632227714 566012253 /nfs/dbraw/zinc/01/22/53/566012253.db2.gz GBMVHSAUSYRWPD-LBPRGKRZSA-N 0 1 377.413 2.907 20 0 GFADMN O[C@@H](CNCc1nc2c(s1)CCC2)COc1ccccc1Br ZINC000678496695 566012698 /nfs/dbraw/zinc/01/26/98/566012698.db2.gz OIUVOVMFTGZEBC-NSHDSACASA-N 0 1 383.311 2.924 20 0 GFADMN COc1cc(Br)c(CNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1OC ZINC000654698530 566019922 /nfs/dbraw/zinc/01/99/22/566019922.db2.gz OFLKZDWXYNKKID-JTQLQIEISA-N 0 1 382.258 2.684 20 0 GFADMN CC(C)[C@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000678776279 566020512 /nfs/dbraw/zinc/02/05/12/566020512.db2.gz FHKNQXXUQALBRF-INIZCTEOSA-N 0 1 382.302 2.624 20 0 GFADMN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cscc1Br ZINC000632337333 566022604 /nfs/dbraw/zinc/02/26/04/566022604.db2.gz XXAZKCWEMDBPRE-CMPLNLGQSA-N 0 1 379.345 2.758 20 0 GFADMN O=S(=O)(Nc1cnc2c(c1)COCC2)c1ccc(Br)c(F)c1 ZINC000679002272 566027678 /nfs/dbraw/zinc/02/76/78/566027678.db2.gz OACZBJPNFXFYDQ-UHFFFAOYSA-N 0 1 387.230 2.857 20 0 GFADMN CC(C)(CO)N1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000679316410 566036345 /nfs/dbraw/zinc/03/63/45/566036345.db2.gz SBENFMFZEUMHKK-UHFFFAOYSA-N 0 1 375.296 2.677 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(OCC(C)C)cc1)c1cccs1 ZINC000609542807 566043332 /nfs/dbraw/zinc/04/33/32/566043332.db2.gz XDNFSEXTGRBBDA-MRXNPFEDSA-N 0 1 383.491 2.976 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000655230013 566047125 /nfs/dbraw/zinc/04/71/25/566047125.db2.gz LLWFMMXUFDLZEV-BFHYXJOUSA-N 0 1 391.269 2.839 20 0 GFADMN Cc1ccc(CC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1Br ZINC000655244426 566048229 /nfs/dbraw/zinc/04/82/29/566048229.db2.gz UUKLVNACFPGNQA-ZDUSSCGKSA-N 0 1 379.258 2.586 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000655522897 566063536 /nfs/dbraw/zinc/06/35/36/566063536.db2.gz BJROYNMAIRKEFO-CQSZACIVSA-N 0 1 375.332 2.613 20 0 GFADMN Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000655524306 566063816 /nfs/dbraw/zinc/06/38/16/566063816.db2.gz YVJNHHIIMXGOHZ-BXUZGUMPSA-N 0 1 375.332 2.660 20 0 GFADMN CC(=O)Nc1nc(C)c(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)s1 ZINC000680504418 566073650 /nfs/dbraw/zinc/07/36/50/566073650.db2.gz UNRDNQHVJTTXNS-JTQLQIEISA-N 0 1 385.433 2.809 20 0 GFADMN CC(C)(C)n1nnc(CNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000655636910 566075525 /nfs/dbraw/zinc/07/55/25/566075525.db2.gz ISVQVFYWAJEFPW-UHFFFAOYSA-N 0 1 397.810 2.579 20 0 GFADMN O=S(=O)(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1OC(F)F ZINC000655669401 566082117 /nfs/dbraw/zinc/08/21/17/566082117.db2.gz ZOUSFUVVMXEFFE-OLZOCXBDSA-N 0 1 378.416 2.722 20 0 GFADMN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000680993941 566090243 /nfs/dbraw/zinc/09/02/43/566090243.db2.gz RNHGWSTWPARMKX-CSMYWGQOSA-N 0 1 377.282 2.730 20 0 GFADMN COc1c(Br)cc(Br)cc1CNC[C@@](C)(CO)OC ZINC000655811865 566090418 /nfs/dbraw/zinc/09/04/18/566090418.db2.gz XGLLYOPAGOTFOE-ZDUSSCGKSA-N 0 1 397.107 2.707 20 0 GFADMN CC(C)c1nc(CNC(=O)c2ccc3cncc(Br)c3n2)n[nH]1 ZINC000633259551 566091639 /nfs/dbraw/zinc/09/16/39/566091639.db2.gz OXRHDLGYYKCTDF-UHFFFAOYSA-N 0 1 375.230 2.564 20 0 GFADMN CN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000681363823 566104077 /nfs/dbraw/zinc/10/40/77/566104077.db2.gz ZUOZVGAEOZEOOT-CVEARBPZSA-N 0 1 385.277 2.972 20 0 GFADMN O=C(c1sccc1Br)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633525311 566108494 /nfs/dbraw/zinc/10/84/94/566108494.db2.gz AKFFHRIGYQZQII-UHFFFAOYSA-N 0 1 382.283 2.938 20 0 GFADMN CCn1cnnc1CCNCc1ncc(Br)cc1Br ZINC000681489514 566109427 /nfs/dbraw/zinc/10/94/27/566109427.db2.gz YNMSOYGWNYTZET-UHFFFAOYSA-N 0 1 389.095 2.550 20 0 GFADMN Cc1c(Br)scc1C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000681515013 566109720 /nfs/dbraw/zinc/10/97/20/566109720.db2.gz UXLFRNPNCWTGGA-NSHDSACASA-N 0 1 378.255 2.852 20 0 GFADMN C[C@@H](CNC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000611305173 566125079 /nfs/dbraw/zinc/12/50/79/566125079.db2.gz YVZMZJAKOAVCBP-VIFPVBQESA-N 0 1 396.228 2.909 20 0 GFADMN C[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C[C@@H]1F ZINC000611507075 566133482 /nfs/dbraw/zinc/13/34/82/566133482.db2.gz XFDKRCMDZNTZPM-KWQFWETISA-N 0 1 387.196 2.988 20 0 GFADMN CC1(C)CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CCN1CCO ZINC000682011933 566138859 /nfs/dbraw/zinc/13/88/59/566138859.db2.gz ZIJCSPQRQQUQAC-UHFFFAOYSA-N 0 1 375.296 2.677 20 0 GFADMN O=C(C1CC1)N1CCCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000682030495 566140940 /nfs/dbraw/zinc/14/09/40/566140940.db2.gz MNPLUHCOOKCORZ-CQSZACIVSA-N 0 1 387.307 2.677 20 0 GFADMN CCS(=O)(=O)c1ccc(NS(=O)(=O)C[C@@H](OC)C2CCCCC2)cc1 ZINC000656616026 566146327 /nfs/dbraw/zinc/14/63/27/566146327.db2.gz OUUVQCBRKRJOEU-QGZVFWFLSA-N 0 1 389.539 2.817 20 0 GFADMN Cc1ccc(Cl)c(OC[C@@H](O)CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000656704996 566155610 /nfs/dbraw/zinc/15/56/10/566155610.db2.gz MOYHWFSCTPZZRM-LBPRGKRZSA-N 0 1 375.778 2.987 20 0 GFADMN COCC1(C2CC2)CN(C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000634652157 566164499 /nfs/dbraw/zinc/16/44/99/566164499.db2.gz IVJZPAUZLMWEEQ-HNNXBMFYSA-N 0 1 388.277 2.686 20 0 GFADMN O[C@H](COc1ccc(Br)cc1)CN1CCO[C@H](C(F)F)CC1 ZINC000634749968 566174265 /nfs/dbraw/zinc/17/42/65/566174265.db2.gz JWYRLFFJWXXUBO-JSGCOSHPSA-N 0 1 380.229 2.545 20 0 GFADMN O[C@@H](COc1ccc(Br)cc1)CN1CCO[C@@H](C(F)F)CC1 ZINC000634749970 566174622 /nfs/dbraw/zinc/17/46/22/566174622.db2.gz JWYRLFFJWXXUBO-TZMCWYRMSA-N 0 1 380.229 2.545 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1cc(F)cc(OC(F)F)c1)C1CCOCC1 ZINC000634797588 566179705 /nfs/dbraw/zinc/17/97/05/566179705.db2.gz NIGCJDVXIGUWGV-AWEZNQCLSA-N 0 1 383.388 2.610 20 0 GFADMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000612985931 566181639 /nfs/dbraw/zinc/18/16/39/566181639.db2.gz GJNCTVNJWCLUFS-CABZTGNLSA-N 0 1 381.249 2.874 20 0 GFADMN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613195978 566188255 /nfs/dbraw/zinc/18/82/55/566188255.db2.gz LKCKFNSRKWXHHS-SNVBAGLBSA-N 0 1 389.257 2.995 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000656966389 566196178 /nfs/dbraw/zinc/19/61/78/566196178.db2.gz SDWCTJRNZLFARR-NSHDSACASA-N 0 1 376.404 2.522 20 0 GFADMN Cc1cc(CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)n[nH]1 ZINC000683552997 566203722 /nfs/dbraw/zinc/20/37/22/566203722.db2.gz DXJJQDLPZZHIOW-UHFFFAOYSA-N 0 1 389.257 2.666 20 0 GFADMN Cn1nc(C(=O)[O-])cc1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000635307695 566205173 /nfs/dbraw/zinc/20/51/73/566205173.db2.gz FKWHIWVWZPIJGC-UHFFFAOYSA-N 0 1 394.269 2.924 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@@H](C)c2ccccn2)sc1Br ZINC000657038056 566211589 /nfs/dbraw/zinc/21/15/89/566211589.db2.gz AZEIPWHKUHVXNO-MRVPVSSYSA-N 0 1 376.301 2.691 20 0 GFADMN C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)N(C)C ZINC000635474518 566215618 /nfs/dbraw/zinc/21/56/18/566215618.db2.gz OKUYPDVJGMZNML-GFCCVEGCSA-N 0 1 382.302 2.576 20 0 GFADMN CC(C)(CN1CCOCC1)C(=O)N1CCc2sc(Br)cc2C1 ZINC000635715990 566222589 /nfs/dbraw/zinc/22/25/89/566222589.db2.gz NIARAWBGAPHYIY-UHFFFAOYSA-N 0 1 387.343 2.754 20 0 GFADMN CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000684529238 566237393 /nfs/dbraw/zinc/23/73/93/566237393.db2.gz CKFZXZHJDSLOBY-OAHLLOKOSA-N 0 1 391.269 2.609 20 0 GFADMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000819833575 607254704 /nfs/dbraw/zinc/25/47/04/607254704.db2.gz HNPUNJBBEFXAGG-UHFFFAOYSA-N 0 1 391.840 2.832 20 0 GFADMN C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736243990 599140255 /nfs/dbraw/zinc/14/02/55/599140255.db2.gz BTKGUVPRGYBCBB-CABCVRRESA-N 0 1 394.483 2.501 20 0 GFADMN C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736243990 599140259 /nfs/dbraw/zinc/14/02/59/599140259.db2.gz BTKGUVPRGYBCBB-CABCVRRESA-N 0 1 394.483 2.501 20 0 GFADMN CC1(C)CCC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736211945 599141090 /nfs/dbraw/zinc/14/10/90/599141090.db2.gz RYEWSPVPYOPTNP-UHFFFAOYSA-N 0 1 394.483 2.503 20 0 GFADMN CC1(C)CCC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736211945 599141092 /nfs/dbraw/zinc/14/10/92/599141092.db2.gz RYEWSPVPYOPTNP-UHFFFAOYSA-N 0 1 394.483 2.503 20 0 GFADMN C[C@@H]1CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1c1ccccc1 ZINC000736284869 599144578 /nfs/dbraw/zinc/14/45/78/599144578.db2.gz HFDKYRJYUHBPNM-UZLBHIALSA-N 0 1 390.491 2.609 20 0 GFADMN C[C@@H](c1nn(CN2CC[C@@H](C(=O)[O-])C2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000818075636 596899326 /nfs/dbraw/zinc/89/93/26/596899326.db2.gz FMNLSVOZHKJICE-QWHCGFSZSA-N 0 1 393.488 2.529 20 0 GFADMN Oc1ccc(Br)c(CNCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823727217 607260182 /nfs/dbraw/zinc/26/01/82/607260182.db2.gz VBDSPDLOEPVUNP-UHFFFAOYSA-N 0 1 390.241 2.503 20 0 GFADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000817807452 597078188 /nfs/dbraw/zinc/07/81/88/597078188.db2.gz GSMSCDQGUWHIRW-GFCCVEGCSA-N 0 1 382.461 2.516 20 0 GFADMN CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000817807452 597078190 /nfs/dbraw/zinc/07/81/90/597078190.db2.gz GSMSCDQGUWHIRW-GFCCVEGCSA-N 0 1 382.461 2.516 20 0 GFADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000819375756 597079204 /nfs/dbraw/zinc/07/92/04/597079204.db2.gz YFMQZJIPKXAZAV-INIZCTEOSA-N 0 1 381.476 2.970 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3cccc(CC(=O)[O-])c3)C2)nc(C)[nH+]1 ZINC000738229874 597184987 /nfs/dbraw/zinc/18/49/87/597184987.db2.gz INYBTEAAGWYEOV-KRWDZBQOSA-N 0 1 383.452 2.511 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NCCC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000818478588 597226488 /nfs/dbraw/zinc/22/64/88/597226488.db2.gz RSBIHNVCTXIEPA-CZUORRHYSA-N 0 1 387.402 2.862 20 0 GFADMN CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCCCC1 ZINC000736365620 598288064 /nfs/dbraw/zinc/28/80/64/598288064.db2.gz XXUKQHNSDPHUSM-CYBMUJFWSA-N 0 1 376.486 2.778 20 0 GFADMN CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736530811 598400154 /nfs/dbraw/zinc/40/01/54/598400154.db2.gz MVVAXUHIGWWLLJ-UHFFFAOYSA-N 0 1 398.442 2.870 20 0 GFADMN CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736530811 598400155 /nfs/dbraw/zinc/40/01/55/598400155.db2.gz MVVAXUHIGWWLLJ-UHFFFAOYSA-N 0 1 398.442 2.870 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)cc1C ZINC000737369141 598548529 /nfs/dbraw/zinc/54/85/29/598548529.db2.gz FPRYJZPWLQJAQH-UHFFFAOYSA-N 0 1 395.391 2.886 20 0 GFADMN O=C1C[C@H](N2CCC3(CCCCC3)CC2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738302414 598618176 /nfs/dbraw/zinc/61/81/76/598618176.db2.gz WILPMPTZWYARMV-KRWDZBQOSA-N 0 1 394.479 2.545 20 0 GFADMN COc1ccc(-c2nsc(NC(=O)c3sccc3-c3nn[nH]n3)n2)cc1 ZINC000737062494 598660613 /nfs/dbraw/zinc/66/06/13/598660613.db2.gz OKMOZJYWYBEOPM-UHFFFAOYSA-N 0 1 385.434 2.708 20 0 GFADMN CCS[C@H]1CCCCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736668311 598748933 /nfs/dbraw/zinc/74/89/33/598748933.db2.gz ZBRMFLQZHPWKDA-ZDUSSCGKSA-N 0 1 378.502 2.623 20 0 GFADMN CC(C)n1cc2cc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)ccc2n1 ZINC000820214644 599300766 /nfs/dbraw/zinc/30/07/66/599300766.db2.gz LKCHSYXUGOCTPR-UHFFFAOYSA-N 0 1 383.437 2.598 20 0 GFADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000736198354 599316189 /nfs/dbraw/zinc/31/61/89/599316189.db2.gz SLGKEXBHUJNQPH-MRXNPFEDSA-N 0 1 394.527 2.697 20 0 GFADMN C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C)N(C)Cc1ccccc1 ZINC000735550205 599371340 /nfs/dbraw/zinc/37/13/40/599371340.db2.gz GCOSBRPUFPNZEX-AWEZNQCLSA-N 0 1 381.484 2.882 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834643 599390699 /nfs/dbraw/zinc/39/06/99/599390699.db2.gz QAEFJHHXHBBJPG-AAEUAGOBSA-N 0 1 380.452 2.936 20 0 GFADMN Brc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC000819688589 599426168 /nfs/dbraw/zinc/42/61/68/599426168.db2.gz KADMRCQHZOXWQG-LBPRGKRZSA-N 0 1 389.257 2.591 20 0 GFADMN CC(C)(C)CCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735604141 599561796 /nfs/dbraw/zinc/56/17/96/599561796.db2.gz RUVPEMVBCQULNL-UHFFFAOYSA-N 0 1 399.455 2.590 20 0 GFADMN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000821612205 599696709 /nfs/dbraw/zinc/69/67/09/599696709.db2.gz MQROKQGKUUHTHN-FQEVSTJZSA-N 0 1 390.491 2.880 20 0 GFADMN C[C@@H](C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1)C(=O)[O-] ZINC000736578227 599713887 /nfs/dbraw/zinc/71/38/87/599713887.db2.gz KFNWWBCVCUSZIT-HNNXBMFYSA-N 0 1 384.432 2.967 20 0 GFADMN COc1cc(C[N@H+](C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)ccc1SC ZINC000737882234 599714394 /nfs/dbraw/zinc/71/43/94/599714394.db2.gz WSMOIRXAFRTFPO-ZDUSSCGKSA-N 0 1 380.510 2.561 20 0 GFADMN COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)ccc1SC ZINC000737882234 599714396 /nfs/dbraw/zinc/71/43/96/599714396.db2.gz WSMOIRXAFRTFPO-ZDUSSCGKSA-N 0 1 380.510 2.561 20 0 GFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2)C[C@@H](C)O1 ZINC000736812100 599720975 /nfs/dbraw/zinc/72/09/75/599720975.db2.gz SVLBYHDAFYIIOW-ZIAGYGMSSA-N 0 1 384.432 2.952 20 0 GFADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000737011143 599754853 /nfs/dbraw/zinc/75/48/53/599754853.db2.gz UGIBZVZBHMKYHG-KRWDZBQOSA-N 0 1 389.496 2.501 20 0 GFADMN O=C([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000740175776 599768404 /nfs/dbraw/zinc/76/84/04/599768404.db2.gz YZTCSPQLOODXOK-UHFFFAOYSA-N 0 1 398.868 2.574 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739470171 599782971 /nfs/dbraw/zinc/78/29/71/599782971.db2.gz BLOWYZKFAHIQFG-QGZVFWFLSA-N 0 1 397.410 2.727 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739470171 599782972 /nfs/dbraw/zinc/78/29/72/599782972.db2.gz BLOWYZKFAHIQFG-QGZVFWFLSA-N 0 1 397.410 2.727 20 0 GFADMN Cc1[nH]c(C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738152737 599793333 /nfs/dbraw/zinc/79/33/33/599793333.db2.gz FVEPWDMIQQURLP-AWEZNQCLSA-N 0 1 393.484 2.701 20 0 GFADMN Cc1[nH]c(C(=O)C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738152737 599793334 /nfs/dbraw/zinc/79/33/34/599793334.db2.gz FVEPWDMIQQURLP-AWEZNQCLSA-N 0 1 393.484 2.701 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000738278579 599935412 /nfs/dbraw/zinc/93/54/12/599935412.db2.gz VMCJTGDTYOUZLY-IJEWVQPXSA-N 0 1 380.510 2.719 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3cc(C(=O)[O-])ccc3F)C2)nc(C)[nH+]1 ZINC000738409398 599980588 /nfs/dbraw/zinc/98/05/88/599980588.db2.gz VYPQOSCNVPHYAR-AWEZNQCLSA-N 0 1 387.415 2.721 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000521056208 600004452 /nfs/dbraw/zinc/00/44/52/600004452.db2.gz VDHFQHMTJOSQOI-IEBWSBKVSA-N 0 1 393.524 2.926 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000521056208 600004455 /nfs/dbraw/zinc/00/44/55/600004455.db2.gz VDHFQHMTJOSQOI-IEBWSBKVSA-N 0 1 393.524 2.926 20 0 GFADMN O=C([O-])c1ccc2c(c1)CN(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000740203454 600023893 /nfs/dbraw/zinc/02/38/93/600023893.db2.gz NPGKPJNHEQIIFX-SFHVURJKSA-N 0 1 393.487 2.975 20 0 GFADMN CC[C@@]([NH2+]CC(=O)NC(=O)Nc1ccc(C)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC000736918540 600130145 /nfs/dbraw/zinc/13/01/45/600130145.db2.gz TZTJGXPMVJMBEA-NRFANRHFSA-N 0 1 383.448 2.931 20 0 GFADMN C[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000736217665 600174222 /nfs/dbraw/zinc/17/42/22/600174222.db2.gz ZOXFZLCZLIPTQK-QVKFZJNVSA-N 0 1 391.471 2.727 20 0 GFADMN C[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000736217665 600174224 /nfs/dbraw/zinc/17/42/24/600174224.db2.gz ZOXFZLCZLIPTQK-QVKFZJNVSA-N 0 1 391.471 2.727 20 0 GFADMN C[NH+](C)[C@H](C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737362643 600179104 /nfs/dbraw/zinc/17/91/04/600179104.db2.gz XREUFHXGQUVSIY-YJBOKZPZSA-N 0 1 390.867 2.708 20 0 GFADMN C[NH+](C)[C@@H](C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000737362640 600179383 /nfs/dbraw/zinc/17/93/83/600179383.db2.gz XREUFHXGQUVSIY-CRAIPNDOSA-N 0 1 390.867 2.708 20 0 GFADMN CC(C)[C@H](NC(=O)C[N@@H+](CCC(=O)[O-])C(C)C)c1ccc2c(c1)OCCCO2 ZINC000736359150 600223227 /nfs/dbraw/zinc/22/32/27/600223227.db2.gz VEBQEUCINIYNIH-NRFANRHFSA-N 0 1 392.496 2.846 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000739624756 600225957 /nfs/dbraw/zinc/22/59/57/600225957.db2.gz LAYRCTNIWFOVGD-LEWJYISDSA-N 0 1 394.471 2.568 20 0 GFADMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000739624756 600225958 /nfs/dbraw/zinc/22/59/58/600225958.db2.gz LAYRCTNIWFOVGD-LEWJYISDSA-N 0 1 394.471 2.568 20 0 GFADMN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc3[nH]c(C(F)(F)F)nc3c1)CC2 ZINC000739277912 600288340 /nfs/dbraw/zinc/28/83/40/600288340.db2.gz KRAVZKUCTJJYDZ-NSHDSACASA-N 0 1 396.369 2.707 20 0 GFADMN CCCCOC(=O)c1ccc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736998532 600298176 /nfs/dbraw/zinc/29/81/76/600298176.db2.gz KTFBYVYDMALBKQ-KRWDZBQOSA-N 0 1 388.464 2.769 20 0 GFADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000248909263 600309793 /nfs/dbraw/zinc/30/97/93/600309793.db2.gz ZXCDHECRFFZNDR-HZPDHXFCSA-N 0 1 380.510 2.660 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738902219 600311487 /nfs/dbraw/zinc/31/14/87/600311487.db2.gz IIGUOKLEOZFPAJ-QGZVFWFLSA-N 0 1 382.464 2.614 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC[N@H+]1CCOC ZINC000736940286 600337701 /nfs/dbraw/zinc/33/77/01/600337701.db2.gz RXYMPPVRRLFRPG-INIZCTEOSA-N 0 1 393.484 2.747 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1Cl ZINC000737359523 600341451 /nfs/dbraw/zinc/34/14/51/600341451.db2.gz UHKSWBYOQUQPHF-HOCLYGCPSA-N 0 1 379.888 2.839 20 0 GFADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000736587331 600397129 /nfs/dbraw/zinc/39/71/29/600397129.db2.gz VVNVWFPNGRKCHG-LLVKDONJSA-N 0 1 381.889 2.512 20 0 GFADMN CCOC(=O)c1ccc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccccc3)CC2)nc1 ZINC000737154258 600402730 /nfs/dbraw/zinc/40/27/30/600402730.db2.gz OJSOTZMSUXOVCY-IBGZPJMESA-N 0 1 383.448 2.596 20 0 GFADMN Cc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000738856664 600407469 /nfs/dbraw/zinc/40/74/69/600407469.db2.gz AHKNZCSDFNTFSJ-DOTOQJQBSA-N 0 1 378.860 2.754 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000738254533 600428088 /nfs/dbraw/zinc/42/80/88/600428088.db2.gz YIDJZUVHZPKYSP-UHFFFAOYSA-N 0 1 385.306 2.560 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000737868417 600454787 /nfs/dbraw/zinc/45/47/87/600454787.db2.gz SKZUUYCLOUMCGO-DYESRHJHSA-N 0 1 375.465 2.955 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000738529168 600455318 /nfs/dbraw/zinc/45/53/18/600455318.db2.gz XMEDZEXUGXTAEX-UHFFFAOYSA-N 0 1 396.491 2.979 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000740015731 600464854 /nfs/dbraw/zinc/46/48/54/600464854.db2.gz SGYYSZRQQUWUEQ-HXUWFJFHSA-N 0 1 397.475 2.633 20 0 GFADMN Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C(=O)[O-] ZINC000738437927 600482270 /nfs/dbraw/zinc/48/22/70/600482270.db2.gz UGILNBOINJAXSB-YQQAZPJKSA-N 0 1 375.469 2.799 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000739718769 600513827 /nfs/dbraw/zinc/51/38/27/600513827.db2.gz MGIFTKSKZAXERU-GFCCVEGCSA-N 0 1 375.252 2.888 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000739718769 600513829 /nfs/dbraw/zinc/51/38/29/600513829.db2.gz MGIFTKSKZAXERU-GFCCVEGCSA-N 0 1 375.252 2.888 20 0 GFADMN Cc1oc(NC(=O)CN2CCC[C@H](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1C ZINC000822548325 607451180 /nfs/dbraw/zinc/45/11/80/607451180.db2.gz IFXDNYQECPJLRZ-QGZVFWFLSA-N 0 1 394.479 2.970 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@@H+](CCC(C)C)C3CC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872971 600553656 /nfs/dbraw/zinc/55/36/56/600553656.db2.gz XOYPSJNJCFJCBL-UHFFFAOYSA-N 0 1 388.512 2.837 20 0 GFADMN Cc1nc2c(c(=O)n(C[N@H+](CCC(C)C)C3CC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872971 600553659 /nfs/dbraw/zinc/55/36/59/600553659.db2.gz XOYPSJNJCFJCBL-UHFFFAOYSA-N 0 1 388.512 2.837 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737358732 600688665 /nfs/dbraw/zinc/68/86/65/600688665.db2.gz OPHSLAGTGXXOGM-MRXNPFEDSA-N 0 1 382.869 2.619 20 0 GFADMN 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CCC[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000575810828 600719936 /nfs/dbraw/zinc/71/99/36/600719936.db2.gz VIIAXOLGSDZWDB-ZWKOTPCHSA-N 0 1 380.529 2.759 20 0 GFADMN O=C([O-])CC[N@H+](Cn1nc(Cc2ccccc2F)oc1=S)C1CCOCC1 ZINC000833236108 600720639 /nfs/dbraw/zinc/72/06/39/600720639.db2.gz MEASORMNUWQXPK-UHFFFAOYSA-N 0 1 395.456 2.849 20 0 GFADMN O=C([O-])CC[N@@H+](Cn1nc(Cc2ccccc2F)oc1=S)C1CCOCC1 ZINC000833236108 600720641 /nfs/dbraw/zinc/72/06/41/600720641.db2.gz MEASORMNUWQXPK-UHFFFAOYSA-N 0 1 395.456 2.849 20 0 GFADMN Cc1sc(NC(=O)COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC000738399880 600737451 /nfs/dbraw/zinc/73/74/51/600737451.db2.gz ZEVCPTIDQKGLBO-UMNHJUIQSA-N 0 1 382.482 2.806 20 0 GFADMN Cc1sc(NC(=O)COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])c1C ZINC000738399880 600737453 /nfs/dbraw/zinc/73/74/53/600737453.db2.gz ZEVCPTIDQKGLBO-UMNHJUIQSA-N 0 1 382.482 2.806 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000833287548 600744734 /nfs/dbraw/zinc/74/47/34/600744734.db2.gz LRQWNZOESDOGSL-HXUWFJFHSA-N 0 1 397.475 2.726 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000833287548 600744736 /nfs/dbraw/zinc/74/47/36/600744736.db2.gz LRQWNZOESDOGSL-HXUWFJFHSA-N 0 1 397.475 2.726 20 0 GFADMN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC[N@H+]1C ZINC000828169764 600750488 /nfs/dbraw/zinc/75/04/88/600750488.db2.gz WCFFJVXQHHVHMJ-NVXWUHKLSA-N 0 1 377.485 2.554 20 0 GFADMN C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000830928112 600762487 /nfs/dbraw/zinc/76/24/87/600762487.db2.gz HUKWBJKKQPZPCJ-RHSMWYFYSA-N 0 1 394.518 2.808 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832879567 600797917 /nfs/dbraw/zinc/79/79/17/600797917.db2.gz GZMWWFHYNHHFEX-ZBFHGGJFSA-N 0 1 388.493 2.702 20 0 GFADMN Cc1cc(C)n([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C2)n1 ZINC000832879567 600797918 /nfs/dbraw/zinc/79/79/18/600797918.db2.gz GZMWWFHYNHHFEX-ZBFHGGJFSA-N 0 1 388.493 2.702 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828213584 600820346 /nfs/dbraw/zinc/82/03/46/600820346.db2.gz AIFPQMHBLMPVGS-IVSAIRAKSA-N 0 1 391.537 2.889 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828213585 600820372 /nfs/dbraw/zinc/82/03/72/600820372.db2.gz AIFPQMHBLMPVGS-JYYAWHABSA-N 0 1 391.537 2.889 20 0 GFADMN CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC[N@H+]1C[C@@H](C)O ZINC000829149181 600826001 /nfs/dbraw/zinc/82/60/01/600826001.db2.gz FPJXMUYVXWIPES-RDTXWAMCSA-N 0 1 389.521 2.785 20 0 GFADMN CCn1nc2c(cc1=O)C[N@H+]([C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000830445836 600827486 /nfs/dbraw/zinc/82/74/86/600827486.db2.gz STHBCLNWLDTLJC-MRXNPFEDSA-N 0 1 382.247 2.754 20 0 GFADMN CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)CC2 ZINC000830445836 600827489 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ZINC000740302415 603331082 /nfs/dbraw/zinc/33/10/82/603331082.db2.gz TWWQPXRBBRIVOD-HUUCEWRRSA-N 0 1 391.516 2.653 20 0 GFADMN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740302415 603331083 /nfs/dbraw/zinc/33/10/83/603331083.db2.gz TWWQPXRBBRIVOD-HUUCEWRRSA-N 0 1 391.516 2.653 20 0 GFADMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739177303 603333775 /nfs/dbraw/zinc/33/37/75/603333775.db2.gz OQWCQYREXUJEBT-GASCZTMLSA-N 0 1 392.500 2.806 20 0 GFADMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739177303 603333779 /nfs/dbraw/zinc/33/37/79/603333779.db2.gz OQWCQYREXUJEBT-GASCZTMLSA-N 0 1 392.500 2.806 20 0 GFADMN C[C@H](CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)NC(=O)[O-] ZINC000824624201 603370924 /nfs/dbraw/zinc/37/09/24/603370924.db2.gz YFAJCFGCOLEVRR-GFCCVEGCSA-N 0 1 387.402 2.832 20 0 GFADMN O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000832248695 603439896 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GYKKSEPJNXHQNW-UHFFFAOYSA-N 0 1 397.402 2.899 20 0 GFADMN CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)[O-] ZINC000824115498 603483714 /nfs/dbraw/zinc/48/37/14/603483714.db2.gz CDMPUSOOIKTJCJ-NJAFHUGGSA-N 0 1 376.501 2.631 20 0 GFADMN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1NC(=O)[O-] ZINC000825996450 603487553 /nfs/dbraw/zinc/48/75/53/603487553.db2.gz MJPURDJKDPPKPK-UKBAYJJMSA-N 0 1 388.512 2.727 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262986 603497253 /nfs/dbraw/zinc/49/72/53/603497253.db2.gz ZHTJTQSQRAYHLB-VQIMIIECSA-N 0 1 387.505 2.946 20 0 GFADMN Cc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c2cccs2)cc1 ZINC000830262986 603497256 /nfs/dbraw/zinc/49/72/56/603497256.db2.gz ZHTJTQSQRAYHLB-VQIMIIECSA-N 0 1 387.505 2.946 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)ccc21 ZINC000832636981 603505470 /nfs/dbraw/zinc/50/54/70/603505470.db2.gz YACJBOILIAHZIC-PKOBYXMFSA-N 0 1 384.480 2.656 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830839401 603538734 /nfs/dbraw/zinc/53/87/34/603538734.db2.gz HWYSTESBOHPFPA-QGZVFWFLSA-N 0 1 385.468 2.502 20 0 GFADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000831261575 603567133 /nfs/dbraw/zinc/56/71/33/603567133.db2.gz ZSKGZWMPUQGDNM-DLBZAZTESA-N 0 1 378.448 2.733 20 0 GFADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000831258804 603567386 /nfs/dbraw/zinc/56/73/86/603567386.db2.gz AEJVAWOAKUAHAC-DYVFJYSZSA-N 0 1 378.448 2.591 20 0 GFADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000831258805 603567596 /nfs/dbraw/zinc/56/75/96/603567596.db2.gz AEJVAWOAKUAHAC-GUYCJALGSA-N 0 1 378.448 2.591 20 0 GFADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827641577 603575612 /nfs/dbraw/zinc/57/56/12/603575612.db2.gz AEIRDJUBNVGTHW-MSOLQXFVSA-N 0 1 384.480 2.878 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000826067001 603674750 /nfs/dbraw/zinc/67/47/50/603674750.db2.gz IHNSOIFDXAICDQ-WMZOPIPTSA-N 0 1 390.528 2.832 20 0 GFADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CCN(C(=O)[O-])CC3)cc2)C1 ZINC000825951126 603765002 /nfs/dbraw/zinc/76/50/02/603765002.db2.gz RLPLHOZHIUGRMT-OAHLLOKOSA-N 0 1 375.469 2.736 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000828167919 603782492 /nfs/dbraw/zinc/78/24/92/603782492.db2.gz CNEQROLZQFYWDC-YMAMQOFZSA-N 0 1 390.402 2.956 20 0 GFADMN CSc1ccc(CN(C)C(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000829761103 603790990 /nfs/dbraw/zinc/79/09/90/603790990.db2.gz XRYXTKDMPMATGH-UHFFFAOYSA-N 0 1 379.526 2.878 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000827882605 603810390 /nfs/dbraw/zinc/81/03/90/603810390.db2.gz PQCXNOOTKNTPQK-UXHICEINSA-N 0 1 384.476 2.838 20 0 GFADMN Cc1cccc(NCCNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)[nH+]1 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O=C([O-])Nc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000834274510 606059977 /nfs/dbraw/zinc/05/99/77/606059977.db2.gz UOGMNOKIZXSBQU-SFHVURJKSA-N 0 1 381.476 3.000 20 0 GFADMN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC000820650243 606068507 /nfs/dbraw/zinc/06/85/07/606068507.db2.gz SNKIGVYENHDKFX-RBZFPXEDSA-N 0 1 397.483 2.584 20 0 GFADMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000822242346 606070739 /nfs/dbraw/zinc/07/07/39/606070739.db2.gz IVIUKUZQDXJTLA-OAHLLOKOSA-N 0 1 395.442 2.560 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cccc(-c5nnn[n-]5)n4)C3)C2)cc1 ZINC000823779687 606141722 /nfs/dbraw/zinc/14/17/22/606141722.db2.gz GYWYTSOUYXAURB-OAQYLSRUSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cccc(-c5nnn[n-]5)n4)C3)C2)cc1 ZINC000823779687 606141723 /nfs/dbraw/zinc/14/17/23/606141723.db2.gz GYWYTSOUYXAURB-OAQYLSRUSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cccc(-c5nn[n-]n5)n4)C3)C2)cc1 ZINC000823779687 606141725 /nfs/dbraw/zinc/14/17/25/606141725.db2.gz GYWYTSOUYXAURB-OAQYLSRUSA-N 0 1 375.480 2.754 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cccc(-c5nn[n-]n5)n4)C3)C2)cc1 ZINC000823779687 606141727 /nfs/dbraw/zinc/14/17/27/606141727.db2.gz GYWYTSOUYXAURB-OAQYLSRUSA-N 0 1 375.480 2.754 20 0 GFADMN O=C1[C@@H](N2CCSC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503605 606186419 /nfs/dbraw/zinc/18/64/19/606186419.db2.gz HPOCWQWAHJYUOT-KRWDZBQOSA-N 0 1 398.536 2.724 20 0 GFADMN O=C1[C@H](N2CCSC3(CCCCC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823503608 606186739 /nfs/dbraw/zinc/18/67/39/606186739.db2.gz HPOCWQWAHJYUOT-QGZVFWFLSA-N 0 1 398.536 2.724 20 0 GFADMN CCOc1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)nc1 ZINC000821422127 606360992 /nfs/dbraw/zinc/36/09/92/606360992.db2.gz OJGFWPKGCMUYRE-UHFFFAOYSA-N 0 1 382.811 2.677 20 0 GFADMN COc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCCC1 ZINC000821883547 606406281 /nfs/dbraw/zinc/40/62/81/606406281.db2.gz XJSOUORGUWFCIY-INIZCTEOSA-N 0 1 384.509 2.864 20 0 GFADMN COc1ccccc1[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC000821883547 606406283 /nfs/dbraw/zinc/40/62/83/606406283.db2.gz XJSOUORGUWFCIY-INIZCTEOSA-N 0 1 384.509 2.864 20 0 GFADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000820055223 606417562 /nfs/dbraw/zinc/41/75/62/606417562.db2.gz GARQEUYVTFOCCV-GFCCVEGCSA-N 0 1 380.518 2.957 20 0 GFADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000820055223 606417563 /nfs/dbraw/zinc/41/75/63/606417563.db2.gz GARQEUYVTFOCCV-GFCCVEGCSA-N 0 1 380.518 2.957 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)CC1 ZINC000820722101 606462176 /nfs/dbraw/zinc/46/21/76/606462176.db2.gz FVPWKRKXNSDITK-AWEZNQCLSA-N 0 1 375.908 2.863 20 0 GFADMN CC1CC[NH+](C[C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)CC1 ZINC000820722101 606462178 /nfs/dbraw/zinc/46/21/78/606462178.db2.gz FVPWKRKXNSDITK-AWEZNQCLSA-N 0 1 375.908 2.863 20 0 GFADMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2C)c1-c1nn[nH]n1 ZINC000822015007 606504803 /nfs/dbraw/zinc/50/48/03/606504803.db2.gz BEUYRSDFKKJMIY-AWEZNQCLSA-N 0 1 393.495 2.756 20 0 GFADMN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823175380 606538939 /nfs/dbraw/zinc/53/89/39/606538939.db2.gz HDHPANPVXINOKS-HNNXBMFYSA-N 0 1 382.493 2.713 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccc(F)c(C)c2)cc1-c1nn[nH]n1 ZINC000821971150 606585357 /nfs/dbraw/zinc/58/53/57/606585357.db2.gz YAAWTDFIUBVVBY-SECBINFHSA-N 0 1 388.428 2.628 20 0 GFADMN O=C(Nc1nnc(-c2ccccc2)s1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823383482 606667346 /nfs/dbraw/zinc/66/73/46/606667346.db2.gz SCWPGSUKXAJEOY-UHFFFAOYSA-N 0 1 385.359 2.916 20 0 GFADMN Cc1cc(CC(=O)Nc2ccc(Oc3ncccc3-c3nn[nH]n3)cc2C)n[nH]1 ZINC000822200173 606669442 /nfs/dbraw/zinc/66/94/42/606669442.db2.gz XDTVTSYQXOODEQ-UHFFFAOYSA-N 0 1 390.407 2.575 20 0 GFADMN O=S(=O)(Nc1cccc2ccncc21)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000823589221 606713040 /nfs/dbraw/zinc/71/30/40/606713040.db2.gz UBPVNCWEJAYIEG-UHFFFAOYSA-N 0 1 386.824 2.869 20 0 GFADMN Cc1ccc(CNCc2cc(-c3nn[nH]n3)cs2)c(OC[C@@H]2CCOC2)c1 ZINC000822238602 606727959 /nfs/dbraw/zinc/72/79/59/606727959.db2.gz NXLUBBLSHCGDJP-CQSZACIVSA-N 0 1 385.493 2.942 20 0 GFADMN O=C(CCN1CCOC2(C1)CCCCCC2)Nc1sccc1-c1nn[nH]n1 ZINC000822969360 606918127 /nfs/dbraw/zinc/91/81/27/606918127.db2.gz MSDKKVSDOOFUQX-UHFFFAOYSA-N 0 1 390.513 2.682 20 0 GFADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819939997 606965308 /nfs/dbraw/zinc/96/53/08/606965308.db2.gz NEFQEDONPNTOET-CQSZACIVSA-N 0 1 390.463 2.885 20 0 GFADMN O=C(NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)C1CCCCC1 ZINC000823155684 607061539 /nfs/dbraw/zinc/06/15/39/607061539.db2.gz WSRXSXBVVXKAKQ-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN CCc1oc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000821558642 607152742 /nfs/dbraw/zinc/15/27/42/607152742.db2.gz CHFWKWKQTJPMKO-UHFFFAOYSA-N 0 1 394.479 2.679 20 0 GFADMN FC(F)(F)c1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724082 607174720 /nfs/dbraw/zinc/17/47/20/607174720.db2.gz YLSNLCBJUGZSLL-HZPDHXFCSA-N 0 1 396.417 2.941 20 0 GFADMN CCCc1ccc(-c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cc1 ZINC000821138767 607218282 /nfs/dbraw/zinc/21/82/82/607218282.db2.gz GYHYCNQDQGHNSK-UHFFFAOYSA-N 0 1 388.435 2.716 20 0 GFADMN CC1(c2ccccc2)CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824844354 607800627 /nfs/dbraw/zinc/80/06/27/607800627.db2.gz WJWXFWLILCKOOC-UHFFFAOYSA-N 0 1 390.491 2.537 20 0 GFADMN CC(C)(C)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824079648 607828691 /nfs/dbraw/zinc/82/86/91/607828691.db2.gz QXOKXIBXADVOEB-MRXNPFEDSA-N 0 1 391.541 2.789 20 0 GFADMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1C ZINC000824025156 607982623 /nfs/dbraw/zinc/98/26/23/607982623.db2.gz VVVHCGINWYDFLK-UHFFFAOYSA-N 0 1 391.840 2.832 20 0 GFADMN O=C1[C@@H](NCc2ccc(-c3nn[nH]n3)cc2)CCN1c1ccc(Cl)c(F)c1 ZINC000826477133 608110607 /nfs/dbraw/zinc/11/06/07/608110607.db2.gz WJSSJXVWJGEOJK-INIZCTEOSA-N 0 1 386.818 2.554 20 0 GFADMN Cc1cc(C)cc([C@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000826264186 608128469 /nfs/dbraw/zinc/12/84/69/608128469.db2.gz FOCFFMHLLCNOQV-IBGZPJMESA-N 0 1 390.491 2.589 20 0 GFADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010461 608190631 /nfs/dbraw/zinc/19/06/31/608190631.db2.gz JYTAXWXIGPMBNN-LBPRGKRZSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826010461 608190632 /nfs/dbraw/zinc/19/06/32/608190632.db2.gz JYTAXWXIGPMBNN-LBPRGKRZSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826010461 608190634 /nfs/dbraw/zinc/19/06/34/608190634.db2.gz JYTAXWXIGPMBNN-LBPRGKRZSA-N 0 1 375.889 2.687 20 0 GFADMN CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826010461 608190635 /nfs/dbraw/zinc/19/06/35/608190635.db2.gz JYTAXWXIGPMBNN-LBPRGKRZSA-N 0 1 375.889 2.687 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)CCN1C ZINC000824858039 608202132 /nfs/dbraw/zinc/20/21/32/608202132.db2.gz HBTLDLMURYTZNO-HUUCEWRRSA-N 0 1 391.479 2.775 20 0 GFADMN CN(C)C1CN(C(=O)c2ccc(Oc3ccccc3-c3nn[nH]n3)c(Cl)c2)C1 ZINC000825855863 608209380 /nfs/dbraw/zinc/20/93/80/608209380.db2.gz LDTPRQMMZLTVSL-UHFFFAOYSA-N 0 1 398.854 2.698 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@@H]1C ZINC000825443266 608269037 /nfs/dbraw/zinc/26/90/37/608269037.db2.gz BAVTWDCVKTWPOG-KBPBESRZSA-N 0 1 387.488 2.600 20 0 GFADMN CCN1C[C@H](C)N(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)C[C@H]1C ZINC000825443267 608269105 /nfs/dbraw/zinc/26/91/05/608269105.db2.gz BAVTWDCVKTWPOG-KGLIPLIRSA-N 0 1 387.488 2.600 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824970416 608311235 /nfs/dbraw/zinc/31/12/35/608311235.db2.gz XCVLUCZXSZXLTI-DLBZAZTESA-N 0 1 390.491 2.531 20 0 GFADMN CCC(CC)[N@H+](CCOC)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825106364 608311393 /nfs/dbraw/zinc/31/13/93/608311393.db2.gz ASRATCUEDBWMGC-UHFFFAOYSA-N 0 1 383.500 2.998 20 0 GFADMN CCC(CC)[N@@H+](CCOC)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000825106364 608311395 /nfs/dbraw/zinc/31/13/95/608311395.db2.gz ASRATCUEDBWMGC-UHFFFAOYSA-N 0 1 383.500 2.998 20 0 GFADMN CCC(CC)[N@H+](CCOC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825106364 608311397 /nfs/dbraw/zinc/31/13/97/608311397.db2.gz ASRATCUEDBWMGC-UHFFFAOYSA-N 0 1 383.500 2.998 20 0 GFADMN CCC(CC)[N@@H+](CCOC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825106364 608311399 /nfs/dbraw/zinc/31/13/99/608311399.db2.gz ASRATCUEDBWMGC-UHFFFAOYSA-N 0 1 383.500 2.998 20 0 GFADMN C[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(OC(F)F)cc1 ZINC000824562031 608445587 /nfs/dbraw/zinc/44/55/87/608445587.db2.gz BSHKIBMLVKTCET-VIFPVBQESA-N 0 1 394.407 2.819 20 0 GFADMN CC(C)Oc1cccc([C@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824334265 608454098 /nfs/dbraw/zinc/45/40/98/608454098.db2.gz TYPCHVBMGDNPHN-HNNXBMFYSA-N 0 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CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000871870419 662738386 /nfs/dbraw/zinc/73/83/86/662738386.db2.gz HDKWEQMIYQMCET-CQSZACIVSA-N 0 1 388.917 2.889 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000871872566 662738576 /nfs/dbraw/zinc/73/85/76/662738576.db2.gz ZIODTZNDJBHMGB-CYBMUJFWSA-N 0 1 388.917 2.889 20 0 GFADMN Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc(C(=O)[O-])c1Cl ZINC000871946223 662745211 /nfs/dbraw/zinc/74/52/11/662745211.db2.gz OCRLCZVALITAOP-AAEUAGOBSA-N 0 1 388.917 2.745 20 0 GFADMN CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000871963742 662747159 /nfs/dbraw/zinc/74/71/59/662747159.db2.gz LGZWGHPSJXCHPZ-GFCCVEGCSA-N 0 1 376.906 2.745 20 0 GFADMN Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc(C(=O)[O-])c1Cl ZINC000871982056 662748940 /nfs/dbraw/zinc/74/89/40/662748940.db2.gz YSXDIAJMZUMQFU-GFCCVEGCSA-N 0 1 388.917 2.745 20 0 GFADMN CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 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O[C@H](CN1CC[C@H](c2ccc3cccnc3n2)C1)c1cc(Br)no1 ZINC000878905410 662909297 /nfs/dbraw/zinc/90/92/97/662909297.db2.gz UQDVMGJULVRRNX-GXTWGEPZSA-N 0 1 389.253 2.903 20 0 GFADMN C[C@@H](NC[C@H](O)CC1(O)CCOCC1)c1ccc(C(F)(F)F)nc1Cl ZINC000879018854 662913399 /nfs/dbraw/zinc/91/33/99/662913399.db2.gz ZPOPJUQQJWPURB-GHMZBOCLSA-N 0 1 382.810 2.697 20 0 GFADMN O=c1cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000879340734 662923518 /nfs/dbraw/zinc/92/35/18/662923518.db2.gz ALIFKWBFFAVRGS-GXSJLCMTSA-N 0 1 377.746 2.755 20 0 GFADMN O=c1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000879340734 662923519 /nfs/dbraw/zinc/92/35/19/662923519.db2.gz ALIFKWBFFAVRGS-GXSJLCMTSA-N 0 1 377.746 2.755 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCCCCn1cc(Br)cn1 ZINC000879821584 662940096 /nfs/dbraw/zinc/94/00/96/662940096.db2.gz TYOWLTQWYAKCFC-NHYWBVRUSA-N 0 1 380.290 2.631 20 0 GFADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC[C@H](O)c1cccc(Br)c1 ZINC000879873878 662941160 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ZINC000421851555 563323345 /nfs/dbraw/zinc/32/33/45/563323345.db2.gz FZNLKVFITMQZTF-AWEZNQCLSA-N 0 1 388.327 2.952 20 0 GFADMN O=C(Nc1nc2cc(Br)ccn2n1)N1CCN(C2CCCC2)CC1 ZINC000297362235 563324996 /nfs/dbraw/zinc/32/49/96/563324996.db2.gz RQPYPNPAXMHKSI-UHFFFAOYSA-N 0 1 393.289 2.584 20 0 GFADMN CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000422035335 563329216 /nfs/dbraw/zinc/32/92/16/563329216.db2.gz LBJPVVVHHNWSQR-NSHDSACASA-N 0 1 378.270 2.869 20 0 GFADMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000422035335 563329221 /nfs/dbraw/zinc/32/92/21/563329221.db2.gz LBJPVVVHHNWSQR-NSHDSACASA-N 0 1 378.270 2.869 20 0 GFADMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCOC[C@H]1c1nnc[nH]1 ZINC000297594387 563330167 /nfs/dbraw/zinc/33/01/67/563330167.db2.gz FJXDYNDMCCRYBL-STQMWFEESA-N 0 1 379.873 2.778 20 0 GFADMN O[C@]1(CNCc2c(F)ccc(I)c2F)CCSC1 ZINC000280432002 563337557 /nfs/dbraw/zinc/33/75/57/563337557.db2.gz XMKRTVBAIDFCRB-LBPRGKRZSA-N 0 1 385.217 2.527 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373630491 563344323 /nfs/dbraw/zinc/34/43/23/563344323.db2.gz SUXRTZZDAXYTEW-QWHCGFSZSA-N 0 1 389.531 2.777 20 0 GFADMN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(Br)cc1C(F)(F)F ZINC000423022772 563353380 /nfs/dbraw/zinc/35/33/80/563353380.db2.gz IKULDCHBDCFWAW-QWHCGFSZSA-N 0 1 395.219 2.851 20 0 GFADMN C[C@@H](N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000280785570 563353668 /nfs/dbraw/zinc/35/36/68/563353668.db2.gz SOCBXKNFKGCJNA-GHMZBOCLSA-N 0 1 384.299 2.903 20 0 GFADMN Brc1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(N2CCOCC2)c1 ZINC000373898248 563354718 /nfs/dbraw/zinc/35/47/18/563354718.db2.gz NKUMHOUIZNVPRW-MAUKXSAKSA-N 0 1 381.314 2.897 20 0 GFADMN O=C(CN1CCC(n2cc(Br)cn2)CC1)NCc1ccccc1 ZINC000374010056 563358300 /nfs/dbraw/zinc/35/83/00/563358300.db2.gz LCEPVALKGDXKCI-UHFFFAOYSA-N 0 1 377.286 2.599 20 0 GFADMN Cc1cc(=O)n2nc(CN(C)Cc3cccc(Br)c3)sc2n1 ZINC000298847473 563368441 /nfs/dbraw/zinc/36/84/41/563368441.db2.gz 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/nfs/dbraw/zinc/38/51/82/563385182.db2.gz GGGIWJYSGXYSRG-CYBMUJFWSA-N 0 1 379.507 2.689 20 0 GFADMN CCOc1cc(CNCc2cnn(CCOC)c2)cc(Br)c1OC ZINC000281921445 563390558 /nfs/dbraw/zinc/39/05/58/563390558.db2.gz GWHZXVVMPPDBFY-UHFFFAOYSA-N 0 1 398.301 2.989 20 0 GFADMN Cc1sc(Br)c(C(=O)Nc2nc(SCCO)n[nH]2)c1C ZINC000281936905 563391167 /nfs/dbraw/zinc/39/11/67/563391167.db2.gz KGODGAMGHWTFNN-UHFFFAOYSA-N 0 1 377.289 2.582 20 0 GFADMN O=C(NCc1nnc2n1CCCCC2)c1cc(Br)cc2nc[nH]c21 ZINC000282043149 563395833 /nfs/dbraw/zinc/39/58/33/563395833.db2.gz LOSYYMDNRTXNNE-UHFFFAOYSA-N 0 1 389.257 2.573 20 0 GFADMN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3cnn(C)c3)s2)NC(=S)N1 ZINC000282186680 563401198 /nfs/dbraw/zinc/40/11/98/563401198.db2.gz KCLLGUPUGSBNEL-HNNXBMFYSA-N 0 1 376.507 2.893 20 0 GFADMN Cn1cc(-c2ccc(CNCCS(=O)(=O)Cc3ccccc3)s2)cn1 ZINC000282357419 563408057 /nfs/dbraw/zinc/40/80/57/563408057.db2.gz XDQLSXBSXGHLLQ-UHFFFAOYSA-N 0 1 375.519 2.853 20 0 GFADMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000425216342 563412004 /nfs/dbraw/zinc/41/20/04/563412004.db2.gz QNUHQNVFYJOCIO-GXFFZTMASA-N 0 1 393.734 2.817 20 0 GFADMN O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(Br)cc2nc[nH]c21 ZINC000375697580 563414852 /nfs/dbraw/zinc/41/48/52/563414852.db2.gz NYQJXOYTENKTLR-UHFFFAOYSA-N 0 1 397.236 2.836 20 0 GFADMN COc1cc2nccc(N[C@H](C)C3(S(C)(=O)=O)CC3)c2cc1Br ZINC000425255353 563414988 /nfs/dbraw/zinc/41/49/88/563414988.db2.gz PGLZQRHHRLUESI-SNVBAGLBSA-N 0 1 399.310 2.805 20 0 GFADMN COc1cc2nccc(N3CCN4C(=O)CC[C@H]4C3)c2cc1Br ZINC000425248002 563415109 /nfs/dbraw/zinc/41/51/09/563415109.db2.gz PWXQMAUBERZDGG-NSHDSACASA-N 0 1 376.254 2.817 20 0 GFADMN CNS(=O)(=O)c1ccc(NC[C@@H](C)N2CCc3sccc3C2)c(F)c1 ZINC000301954009 563416594 /nfs/dbraw/zinc/41/65/94/563416594.db2.gz KBMMEIYHFUFESZ-GFCCVEGCSA-N 0 1 383.514 2.654 20 0 GFADMN O=C(CCCCc1cn[nH]n1)NCc1nc2ccc(Br)cc2o1 ZINC000425334370 563418605 /nfs/dbraw/zinc/41/86/05/563418605.db2.gz XTPMGZHDIBPJNW-UHFFFAOYSA-N 0 1 378.230 2.738 20 0 GFADMN COC(=O)c1cnc([C@H](C)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000425349127 563419026 /nfs/dbraw/zinc/41/90/26/563419026.db2.gz FWMFBRQLKBPJMY-RYUDHWBXSA-N 0 1 382.507 2.788 20 0 GFADMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000375819097 563419489 /nfs/dbraw/zinc/41/94/89/563419489.db2.gz YZBPPODTRSMALF-CVEARBPZSA-N 0 1 383.945 2.835 20 0 GFADMN Brc1cnc2c(c1)nccc2N1CCC[C@@H](CN2CCOCC2)C1 ZINC000302097945 563420863 /nfs/dbraw/zinc/42/08/63/563420863.db2.gz JYXOXFZLYJMDBN-AWEZNQCLSA-N 0 1 391.313 2.941 20 0 GFADMN CN(CCOCCO)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000282716704 563422042 /nfs/dbraw/zinc/42/20/42/563422042.db2.gz LFKZSLXVPNARMX-UHFFFAOYSA-N 0 1 395.297 2.864 20 0 GFADMN Cc1cc([C@@H]2CCCN(C(=O)c3cncc(I)c3)C2)n[nH]1 ZINC000282784329 563424228 /nfs/dbraw/zinc/42/42/28/563424228.db2.gz LPEBAYRRPRXJJX-LLVKDONJSA-N 0 1 396.232 2.738 20 0 GFADMN COc1ccc([C@@H](C)N[C@H]2CCN(c3ccn(C)n3)C2=O)cc1Br ZINC000375958340 563424949 /nfs/dbraw/zinc/42/49/49/563424949.db2.gz CAMJNCGYVLXFDL-RISCZKNCSA-N 0 1 393.285 2.647 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000376225914 563433392 /nfs/dbraw/zinc/43/33/92/563433392.db2.gz LLASDZFHXSDTIN-BRSBDYLESA-N 0 1 393.325 2.610 20 0 GFADMN CC(=O)Nc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1F ZINC000314643454 563439070 /nfs/dbraw/zinc/43/90/70/563439070.db2.gz AHIYYZVYIWMGLU-UHFFFAOYSA-N 0 1 388.218 2.742 20 0 GFADMN COCCOc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000314792827 563440104 /nfs/dbraw/zinc/44/01/04/563440104.db2.gz CQGWWAXKYUTFOZ-UHFFFAOYSA-N 0 1 387.255 2.670 20 0 GFADMN CSCCCCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000283299607 563441255 /nfs/dbraw/zinc/44/12/55/563441255.db2.gz DTVDHENGTOTMMS-OAHLLOKOSA-N 0 1 383.583 2.651 20 0 GFADMN CC(=O)CSCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000426090158 563443548 /nfs/dbraw/zinc/44/35/48/563443548.db2.gz JMGCAELNDCNDLW-UHFFFAOYSA-N 0 1 378.475 2.748 20 0 GFADMN C[C@H]1CN(C2CCN(C(=O)Nc3nc4c(s3)CSCC4)CC2)CCO1 ZINC000376588333 563447492 /nfs/dbraw/zinc/44/74/92/563447492.db2.gz NBKGPDOBZWFKCP-LBPRGKRZSA-N 0 1 382.555 2.649 20 0 GFADMN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000283552423 563447976 /nfs/dbraw/zinc/44/79/76/563447976.db2.gz SKVZISMBJXAEHO-OAHLLOKOSA-N 0 1 377.535 2.688 20 0 GFADMN CSCC[C@H](C)N(C)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000283650526 563450685 /nfs/dbraw/zinc/45/06/85/563450685.db2.gz YYEYXZXBAKGFSA-GJZGRUSLSA-N 0 1 383.583 2.601 20 0 GFADMN CN1C(=O)CC[C@@H](NCc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000323732837 563451551 /nfs/dbraw/zinc/45/15/51/563451551.db2.gz PTVBBAWBXQVXMD-SNVBAGLBSA-N 0 1 395.175 2.585 20 0 GFADMN Cc1c(Br)cc(CN[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000283807016 563454918 /nfs/dbraw/zinc/45/49/18/563454918.db2.gz CKIFDWPJSFAMOQ-SNVBAGLBSA-N 0 1 397.132 2.797 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000283892651 563458327 /nfs/dbraw/zinc/45/83/27/563458327.db2.gz IMCJXIVXCHUUFU-SNVBAGLBSA-N 0 1 379.657 2.692 20 0 GFADMN C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)N(C)C)Cc1cccs1 ZINC000283942500 563459763 /nfs/dbraw/zinc/45/97/63/563459763.db2.gz FEWFOWGCGSIXTO-UKRRQHHQSA-N 0 1 379.551 2.524 20 0 GFADMN CN(C)c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000377208522 563466908 /nfs/dbraw/zinc/46/69/08/563466908.db2.gz KCGDWNITPIEXGF-RDTXWAMCSA-N 0 1 379.551 2.785 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3nsc(N(C)C)n3)n2)c(OC)c1 ZINC000427560820 563469455 /nfs/dbraw/zinc/46/94/55/563469455.db2.gz WLPCBOHWNVWSME-UHFFFAOYSA-N 0 1 378.483 2.699 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000377329048 563470810 /nfs/dbraw/zinc/47/08/10/563470810.db2.gz FBPKVTUPKJVQHK-BXUZGUMPSA-N 0 1 377.286 2.960 20 0 GFADMN Cc1cc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Br)Br)n[nH]1 ZINC000284398486 563472839 /nfs/dbraw/zinc/47/28/39/563472839.db2.gz HEQUMVFSEGCBSA-GXSJLCMTSA-N 0 1 377.080 2.686 20 0 GFADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccnc2N(C)C)c1 ZINC000427780552 563474673 /nfs/dbraw/zinc/47/46/73/563474673.db2.gz HDXVQVODBCGKAP-UHFFFAOYSA-N 0 1 383.857 2.779 20 0 GFADMN O=C(Cc1noc([C@@H]2C[C@H]2c2nc[nH]n2)n1)Nc1cc(Cl)ccc1Cl ZINC000377460059 563475926 /nfs/dbraw/zinc/47/59/26/563475926.db2.gz PAXAUNFUKQUKIS-RKDXNWHRSA-N 0 1 379.207 2.947 20 0 GFADMN Cc1cc(S(=O)(=O)NCCNCc2cnc(C(C)(C)C)nc2)c(C)s1 ZINC000284519147 563478687 /nfs/dbraw/zinc/47/86/87/563478687.db2.gz ZAIPZBXNOXPOMT-UHFFFAOYSA-N 0 1 382.555 2.521 20 0 GFADMN C[C@H](Cn1cc(Br)cn1)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000284560557 563479973 /nfs/dbraw/zinc/47/99/73/563479973.db2.gz HCZSSDPPIRRLTC-IUODEOHRSA-N 0 1 382.306 2.525 20 0 GFADMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000329445423 563480601 /nfs/dbraw/zinc/48/06/01/563480601.db2.gz NSHRYEPOBZVBAK-IXDOHACOSA-N 0 1 385.599 2.772 20 0 GFADMN O=C([C@H]1CCc2[nH]nnc2C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000284642907 563483712 /nfs/dbraw/zinc/48/37/12/563483712.db2.gz MSPKAOUENGNWCK-ZBEGNZNMSA-N 0 1 381.263 2.817 20 0 GFADMN 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Cc1cc(C(C)(C)C(=O)NC[C@H](C)N2CCN(C)CC2)ccc1Br ZINC000290474899 563711325 /nfs/dbraw/zinc/71/13/25/563711325.db2.gz LMTUMRWAIVUGFC-HNNXBMFYSA-N 0 1 396.373 2.787 20 0 GFADMN CCN1C(=S)N=NC1CNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000363004671 563711622 /nfs/dbraw/zinc/71/16/22/563711622.db2.gz HNCIWOJHMPHJIP-UHFFFAOYSA-N 0 1 399.973 2.830 20 0 GFADMN C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(Br)nc1 ZINC000290569221 563714038 /nfs/dbraw/zinc/71/40/38/563714038.db2.gz FBUNRVSXBFGYEF-TVQRCGJNSA-N 0 1 393.207 2.678 20 0 GFADMN C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccn(C)n1 ZINC000414082560 563718193 /nfs/dbraw/zinc/71/81/93/563718193.db2.gz FQNMXBDAVAPMTO-ZDUSSCGKSA-N 0 1 379.302 2.882 20 0 GFADMN C[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)c2ccccc2N(C)C1=O ZINC000363317170 563718757 /nfs/dbraw/zinc/71/87/57/563718757.db2.gz VOLZXOQXCLGKLQ-SECBINFHSA-N 0 1 380.520 2.565 20 0 GFADMN COc1ccc(C[C@@H](C)N[C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126851 563720468 /nfs/dbraw/zinc/72/04/68/563720468.db2.gz FRLSFZSIKMWMND-BZNIZROVSA-N 0 1 378.270 2.600 20 0 GFADMN O=S(=O)(c1ccc(F)c(Br)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000439242039 563720707 /nfs/dbraw/zinc/72/07/07/563720707.db2.gz YMAHHLYLZIBEFN-LBPRGKRZSA-N 0 1 391.306 2.837 20 0 GFADMN Cc1cc(Cl)ccc1C[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439282828 563721099 /nfs/dbraw/zinc/72/10/99/563721099.db2.gz HXGGKALAZBZUGY-UHFFFAOYSA-N 0 1 399.866 2.599 20 0 GFADMN C[C@@H](Cn1cc(Br)ccc1=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000414152259 563721130 /nfs/dbraw/zinc/72/11/30/563721130.db2.gz XCDBRZLIQQRPEZ-KBPBESRZSA-N 0 1 398.345 2.613 20 0 GFADMN CN1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000414168178 563721670 /nfs/dbraw/zinc/72/16/70/563721670.db2.gz ULRRSRHRYCJQLM-KRWDZBQOSA-N 0 1 379.298 2.589 20 0 GFADMN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000414211441 563722543 /nfs/dbraw/zinc/72/25/43/563722543.db2.gz OOFNYOPMOKHPFL-JTQLQIEISA-N 0 1 395.308 2.779 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C)CC[C@H]1C ZINC000439342225 563722682 /nfs/dbraw/zinc/72/26/82/563722682.db2.gz CBUPBUKWKOHELD-GFCCVEGCSA-N 0 1 382.302 2.503 20 0 GFADMN C[C@@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)CC(C)(C)O1 ZINC000439456041 563726783 /nfs/dbraw/zinc/72/67/83/563726783.db2.gz WZMLEOCMWWLALK-RISCZKNCSA-N 0 1 376.266 2.827 20 0 GFADMN Cc1nnc(SCCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)[nH]1 ZINC000363582372 563726927 /nfs/dbraw/zinc/72/69/27/563726927.db2.gz HMZTUVKZVZOORD-UHFFFAOYSA-N 0 1 378.845 2.615 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OCCO)cc2)cc1Cl ZINC000414377206 563730945 /nfs/dbraw/zinc/73/09/45/563730945.db2.gz WBLPKXYYEFLZHN-UHFFFAOYSA-N 0 1 387.841 2.529 20 0 GFADMN COC[C@@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414396233 563733622 /nfs/dbraw/zinc/73/36/22/563733622.db2.gz RYIQUPVHTWOAHD-OAHLLOKOSA-N 0 1 399.310 2.574 20 0 GFADMN C[C@@]1(C(N)=O)CCCCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000363818039 563733861 /nfs/dbraw/zinc/73/38/61/563733861.db2.gz GSKGUFHRPGXXHB-KRWDZBQOSA-N 0 1 391.269 2.709 20 0 GFADMN CN(C)[C@H](CNC(=O)c1nc2ccc(Br)cn2n1)c1ccsc1 ZINC000414412310 563734745 /nfs/dbraw/zinc/73/47/45/563734745.db2.gz QMWVDWSRNCRSHV-GFCCVEGCSA-N 0 1 394.298 2.586 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c(Cl)c1 ZINC000440100498 563736511 /nfs/dbraw/zinc/73/65/11/563736511.db2.gz RPOQSZXEARSYFN-STQMWFEESA-N 0 1 388.917 2.525 20 0 GFADMN C[N@@H+]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000414463160 563740854 /nfs/dbraw/zinc/74/08/54/563740854.db2.gz MYEZONICAYQSQK-WFASDCNBSA-N 0 1 386.851 2.994 20 0 GFADMN C[N@H+]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000414463160 563740858 /nfs/dbraw/zinc/74/08/58/563740858.db2.gz MYEZONICAYQSQK-WFASDCNBSA-N 0 1 386.851 2.994 20 0 GFADMN OC[C@H](CNCc1ncc(I)s1)c1ccc(F)cc1 ZINC000414536791 563745914 /nfs/dbraw/zinc/74/59/14/563745914.db2.gz YCAKWPLJTXBHCB-JTQLQIEISA-N 0 1 392.237 2.753 20 0 GFADMN NC(=O)c1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000364341937 563750611 /nfs/dbraw/zinc/75/06/11/563750611.db2.gz VPURNMFBKPJFKP-HNNXBMFYSA-N 0 1 378.259 2.987 20 0 GFADMN [NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000440857153 563752523 /nfs/dbraw/zinc/75/25/23/563752523.db2.gz IIGILPVWSNEGAG-HTQZYQBOSA-N 0 1 385.686 2.790 20 0 GFADMN C[S@](=O)C1(CNCc2c(Br)cncc2Br)CC1 ZINC000291665678 563752844 /nfs/dbraw/zinc/75/28/44/563752844.db2.gz VSFMMHXMEIIOIK-KRWDZBQOSA-N 0 1 382.121 2.607 20 0 GFADMN COc1ccsc1CNCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441334810 563757738 /nfs/dbraw/zinc/75/77/38/563757738.db2.gz XQSNNGRCXHPOOT-UHFFFAOYSA-N 0 1 378.878 2.617 20 0 GFADMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000441353403 563758281 /nfs/dbraw/zinc/75/82/81/563758281.db2.gz LMKDQALLZBZAHE-UHFFFAOYSA-N 0 1 383.809 2.714 20 0 GFADMN O=S(=O)(NCCNCc1cc(F)cc(F)c1)c1ccc(Cl)cc1F ZINC000441376348 563759218 /nfs/dbraw/zinc/75/92/18/563759218.db2.gz KKXABTFJVQLJAV-UHFFFAOYSA-N 0 1 378.803 2.825 20 0 GFADMN C[C@@H]1CCCN1C(=O)CCN(CCO)Cc1cc(Br)ccc1F ZINC000441467076 563760591 /nfs/dbraw/zinc/76/05/91/563760591.db2.gz BKWGIMHZIHAKKD-CYBMUJFWSA-N 0 1 387.293 2.784 20 0 GFADMN COc1cccc(-c2nc(C[S@](=O)Cc3n[nH]c(C)n3)cs2)c1OC ZINC000291871447 563762106 /nfs/dbraw/zinc/76/21/06/563762106.db2.gz HKFTVNRIFQELOG-VWLOTQADSA-N 0 1 378.479 2.703 20 0 GFADMN COc1ccc(-c2nc(C[S@@](=O)Cc3n[nH]c(C)n3)cs2)cc1OC ZINC000291859361 563762352 /nfs/dbraw/zinc/76/23/52/563762352.db2.gz GLBNXHVZNOMEAW-RUZDIDTESA-N 0 1 378.479 2.703 20 0 GFADMN C[C@H]1[C@H](NC(=O)CSc2n[n-]c(=S)s2)CC[N@H+]1Cc1ccccc1 ZINC000291982276 563767821 /nfs/dbraw/zinc/76/78/21/563767821.db2.gz ZAYVQDPIGVNCQI-WCQYABFASA-N 0 1 380.564 2.698 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ccc(Br)cn1 ZINC000292126738 563775357 /nfs/dbraw/zinc/77/53/57/563775357.db2.gz KXCHUHXGLREKHG-BXKDBHETSA-N 0 1 380.208 2.876 20 0 GFADMN Nc1c(F)cc(Cl)cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000292190435 563777941 /nfs/dbraw/zinc/77/79/41/563777941.db2.gz YZHXLEPBRJWOIM-QMMMGPOBSA-N 0 1 381.757 2.592 20 0 GFADMN C[N@H+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)[C@H]1c1cccs1 ZINC000365278367 563779439 /nfs/dbraw/zinc/77/94/39/563779439.db2.gz KTHSVTPOODLVAA-SCZZXKLOSA-N 0 1 391.444 3.433 20 0 GFADMN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000415550517 563784272 /nfs/dbraw/zinc/78/42/72/563784272.db2.gz COIXEQZGKYDTHW-WDEREUQCSA-N 0 1 378.885 2.611 20 0 GFADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000292481171 563788280 /nfs/dbraw/zinc/78/82/80/563788280.db2.gz SDGXNXPEBZDMLH-SCLBCKFNSA-N 0 1 381.519 2.823 20 0 GFADMN CSC[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000292498701 563789070 /nfs/dbraw/zinc/78/90/70/563789070.db2.gz UIMYEHIPEMYSSY-ZDUSSCGKSA-N 0 1 379.917 2.934 20 0 GFADMN CC(C)(C)CS(=O)(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000443054880 563789596 /nfs/dbraw/zinc/78/95/96/563789596.db2.gz WPBFQPKYZJCKHP-GFCCVEGCSA-N 0 1 376.404 2.878 20 0 GFADMN Cn1ccnc1[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccccc1F ZINC000365824562 563794810 /nfs/dbraw/zinc/79/48/10/563794810.db2.gz XDDRLQPJFALJEC-GFCCVEGCSA-N 0 1 395.510 2.697 20 0 GFADMN C[C@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000366133876 563799867 /nfs/dbraw/zinc/79/98/67/563799867.db2.gz KJOXZYBCRDPBEX-YNHOBRIKSA-N 0 1 383.279 2.995 20 0 GFADMN CS(=O)(=O)CC[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1Cl ZINC000366423757 563807739 /nfs/dbraw/zinc/80/77/39/563807739.db2.gz VLNPHFBXKMHFON-IAGOWNOFSA-N 0 1 389.945 2.507 20 0 GFADMN Cc1cc(CCC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)ccc1Br ZINC000416318662 563816388 /nfs/dbraw/zinc/81/63/88/563816388.db2.gz XZNXPDWRDACBFP-GJZGRUSLSA-N 0 1 383.330 2.604 20 0 GFADMN CCN(CC)CCN(Cc1cccs1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000293512141 563816480 /nfs/dbraw/zinc/81/64/80/563816480.db2.gz XINVTJCUGQAXRU-INIZCTEOSA-N 0 1 386.583 2.633 20 0 GFADMN Nc1ccncc1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000444184994 563823145 /nfs/dbraw/zinc/82/31/45/563823145.db2.gz PRZOZGUGAZDVQV-GFCCVEGCSA-N 0 1 375.270 2.513 20 0 GFADMN Cc1nc(-c2cc3c(s2)CCN(C[C@H]2CCN(S(C)(=O)=O)C2)C3)cs1 ZINC000366997013 563827456 /nfs/dbraw/zinc/82/74/56/563827456.db2.gz PWBGOGGVSIUKAV-CYBMUJFWSA-N 0 1 397.591 2.820 20 0 GFADMN COc1cc(Br)c(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000367037605 563828687 /nfs/dbraw/zinc/82/86/87/563828687.db2.gz LRXRFBAQLIDNCP-SWLSCSKDSA-N 0 1 397.313 2.957 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)CCN1C ZINC000444404355 563831167 /nfs/dbraw/zinc/83/11/67/563831167.db2.gz SASVTCNBLWFZTN-INIZCTEOSA-N 0 1 392.297 2.703 20 0 GFADMN O=C(CCCc1ccccc1Br)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000367168908 563834088 /nfs/dbraw/zinc/83/40/88/563834088.db2.gz YFVQSKXSYNWYNY-CYBMUJFWSA-N 0 1 378.274 2.691 20 0 GFADMN O=C(CCCc1ccccc1Br)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000367168908 563834090 /nfs/dbraw/zinc/83/40/90/563834090.db2.gz YFVQSKXSYNWYNY-CYBMUJFWSA-N 0 1 378.274 2.691 20 0 GFADMN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444800979 563837489 /nfs/dbraw/zinc/83/74/89/563837489.db2.gz 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CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CCN(C)C1 ZINC000617551039 565245641 /nfs/dbraw/zinc/24/56/41/565245641.db2.gz JQHBNLCWSHFHIR-CQSZACIVSA-N 0 1 383.286 2.583 20 0 GFADMN O=C(CCOc1ccc(Cl)cc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592412481 565275000 /nfs/dbraw/zinc/27/50/00/565275000.db2.gz PMEMWYJFECWJSR-HZPDHXFCSA-N 0 1 387.307 2.820 20 0 GFADMN O=C(N1CCN([C@H]2CCC[C@@H]2O)CC1)C1(c2ccc(Br)cc2)CC1 ZINC000592406936 565275152 /nfs/dbraw/zinc/27/51/52/565275152.db2.gz SYRIMIFTNLIQNQ-IRXDYDNUSA-N 0 1 393.325 2.538 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCN(Cc2cccnc2)CC1 ZINC000592451423 565277346 /nfs/dbraw/zinc/27/73/46/565277346.db2.gz RYCNEDGYSTXBSL-UHFFFAOYSA-N 0 1 376.254 2.508 20 0 GFADMN CN(CC(=O)N1CCN(c2ccc(Br)cc2)CC1)[C@@H]1CCSC1 ZINC000618180987 565278206 /nfs/dbraw/zinc/27/82/06/565278206.db2.gz WHSDEJHGZRXGEN-MRXNPFEDSA-N 0 1 398.370 2.535 20 0 GFADMN Cc1c(C(=O)N(C)CC2CN(C)C2)cnn1-c1ccc(Br)cc1 ZINC000618196454 565279176 /nfs/dbraw/zinc/27/91/76/565279176.db2.gz 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O=C([O-])CC[N@@H+](Cc1ncc(Br)cc1Cl)C1CCOCC1 ZINC000662211176 565353793 /nfs/dbraw/zinc/35/37/93/565353793.db2.gz DKJXFIZDKNITCQ-UHFFFAOYSA-N 0 1 377.666 2.953 20 0 GFADMN CC(C)(C)C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)[O-] ZINC000662228590 565356354 /nfs/dbraw/zinc/35/63/54/565356354.db2.gz ILFWHFIZTDQRAI-UHFFFAOYSA-N 0 1 392.315 2.656 20 0 GFADMN C[C@@]1(CS(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1(F)F ZINC000641307512 565360613 /nfs/dbraw/zinc/36/06/13/565360613.db2.gz GXDVSMGPYLBFTO-ZFWWWQNUSA-N 0 1 378.510 2.925 20 0 GFADMN CC(C)(C)N1C[C@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)CC1=O ZINC000620019341 565367325 /nfs/dbraw/zinc/36/73/25/565367325.db2.gz TUNTVDYLMPCMOZ-JTQLQIEISA-N 0 1 393.285 2.702 20 0 GFADMN C[C@H]1CN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C[C@]1(C)CO ZINC000620452938 565383836 /nfs/dbraw/zinc/38/38/36/565383836.db2.gz QPUTVHNKSOMHSM-APPDUMDISA-N 0 1 378.270 2.930 20 0 GFADMN Cc1cc(Br)c([O-])c(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662794560 565384158 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C[C@]1(c2ccccc2F)NC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736741773 599776684 /nfs/dbraw/zinc/77/66/84/599776684.db2.gz OPMDFHVCUOMRRP-OAQYLSRUSA-N 0 1 399.422 2.527 20 0 GFADMN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000738458905 599786596 /nfs/dbraw/zinc/78/65/96/599786596.db2.gz FAZHCFGGYVPVRW-UHFFFAOYSA-N 0 1 399.422 2.813 20 0 GFADMN CC(C)Oc1ccc(NC(=O)c2nnc3ccccc3c2O)cc1-c1nn[nH]n1 ZINC000820173365 607397516 /nfs/dbraw/zinc/39/75/16/607397516.db2.gz BPZCUYCBDQJQHH-UHFFFAOYSA-N 0 1 391.391 2.555 20 0 GFADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cn1 ZINC000738887580 599829915 /nfs/dbraw/zinc/82/99/15/599829915.db2.gz PLJCXEIDNHFMMA-UHFFFAOYSA-N 0 1 379.420 2.915 20 0 GFADMN C[C@H](c1cccc(NCC(=O)Nc2ccccc2C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000736719393 599856567 /nfs/dbraw/zinc/85/65/67/599856567.db2.gz YNPRRUVRAXEGGI-OAHLLOKOSA-N 0 1 383.448 2.829 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000736794137 599864361 /nfs/dbraw/zinc/86/43/61/599864361.db2.gz OAJJVOBYSLLLMD-VQIMIIECSA-N 0 1 388.512 2.860 20 0 GFADMN Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000573452718 599866900 /nfs/dbraw/zinc/86/69/00/599866900.db2.gz XIHQBDVINKEELV-INIZCTEOSA-N 0 1 379.403 2.908 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000737187105 599897875 /nfs/dbraw/zinc/89/78/75/599897875.db2.gz OVWFWWJLGIGDPS-GOSISDBHSA-N 0 1 398.459 2.678 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000737187105 599897877 /nfs/dbraw/zinc/89/78/77/599897877.db2.gz OVWFWWJLGIGDPS-GOSISDBHSA-N 0 1 398.459 2.678 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000184892432 599930811 /nfs/dbraw/zinc/93/08/11/599930811.db2.gz PUPPGDSJEMTTIL-UHFFFAOYSA-N 0 1 388.489 2.590 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000184892432 599930816 /nfs/dbraw/zinc/93/08/16/599930816.db2.gz PUPPGDSJEMTTIL-UHFFFAOYSA-N 0 1 388.489 2.590 20 0 GFADMN C[C@@H](O)C[N@@H+](C)C1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000736675132 599965203 /nfs/dbraw/zinc/96/52/03/599965203.db2.gz BRPDJDVHXODNLG-CQSZACIVSA-N 0 1 389.521 2.785 20 0 GFADMN Cc1cc(N2CCC[C@@H](NC(=O)Nc3ccc(CC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408882 599981533 /nfs/dbraw/zinc/98/15/33/599981533.db2.gz PMGQNUIXOGZBTB-QGZVFWFLSA-N 0 1 383.452 2.511 20 0 GFADMN Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C(=O)[O-] ZINC000738410980 600047855 /nfs/dbraw/zinc/04/78/55/600047855.db2.gz LYCIFTXFGKRFDA-CRAIPNDOSA-N 0 1 395.459 2.583 20 0 GFADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000736821741 600077242 /nfs/dbraw/zinc/07/72/42/600077242.db2.gz FGMKOCIFKCQKAG-OXQOHEQNSA-N 0 1 379.460 2.701 20 0 GFADMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000736821741 600077243 /nfs/dbraw/zinc/07/72/43/600077243.db2.gz FGMKOCIFKCQKAG-OXQOHEQNSA-N 0 1 379.460 2.701 20 0 GFADMN C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000737359099 600100297 /nfs/dbraw/zinc/10/02/97/600100297.db2.gz SGPOAUMUSNKERT-MRXNPFEDSA-N 0 1 384.461 2.948 20 0 GFADMN C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840942 600111720 /nfs/dbraw/zinc/11/17/20/600111720.db2.gz VPEKSLCKCODRPH-VFNWGFHPSA-N 0 1 391.471 2.899 20 0 GFADMN C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736840942 600111723 /nfs/dbraw/zinc/11/17/23/600111723.db2.gz VPEKSLCKCODRPH-VFNWGFHPSA-N 0 1 391.471 2.899 20 0 GFADMN CC[C@]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736914990 600132400 /nfs/dbraw/zinc/13/24/00/600132400.db2.gz ALIRAZGQSIBAMK-WZONZLPQSA-N 0 1 395.503 2.609 20 0 GFADMN O=C(C[NH2+]C1(C(=O)[O-])CCCCC1)Nc1cccc(CN2CCSCC2)c1 ZINC000739308315 600150886 /nfs/dbraw/zinc/15/08/86/600150886.db2.gz HYNIWPSQEMDWAT-UHFFFAOYSA-N 0 1 391.537 2.551 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H](C)C1 ZINC000737166926 600179760 /nfs/dbraw/zinc/17/97/60/600179760.db2.gz KQYYXDZJLCCASE-CJNGLKHVSA-N 0 1 381.448 2.782 20 0 GFADMN C[C@@H](CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000736596172 600205938 /nfs/dbraw/zinc/20/59/38/600205938.db2.gz SMWBUPHJVAWLMB-INIZCTEOSA-N 0 1 379.460 2.976 20 0 GFADMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])CC2)cs1 ZINC000737280889 600272608 /nfs/dbraw/zinc/27/26/08/600272608.db2.gz XYYNVFZBDOELKC-INIZCTEOSA-N 0 1 396.557 2.716 20 0 GFADMN CC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(C[C@H]3C(=O)[O-])CC1)C2=O ZINC000736252521 600281620 /nfs/dbraw/zinc/28/16/20/600281620.db2.gz QUEXUERDNRZUHX-DBWCEAHUSA-N 0 1 391.512 2.658 20 0 GFADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736220113 600287768 /nfs/dbraw/zinc/28/77/68/600287768.db2.gz WUKPJKFUJJBOPF-JQWIXIFHSA-N 0 1 377.441 2.949 20 0 GFADMN COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCC(=O)N(C)CC(=O)[O-] ZINC000737917480 600297297 /nfs/dbraw/zinc/29/72/97/600297297.db2.gz IHVCDZSLYDFRAQ-CQSZACIVSA-N 0 1 399.285 2.528 20 0 GFADMN C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736807353 600309661 /nfs/dbraw/zinc/30/96/61/600309661.db2.gz VYPAFBAFRMAPOS-DYESRHJHSA-N 0 1 396.487 2.584 20 0 GFADMN C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736807353 600309663 /nfs/dbraw/zinc/30/96/63/600309663.db2.gz VYPAFBAFRMAPOS-DYESRHJHSA-N 0 1 396.487 2.584 20 0 GFADMN O=C(C[N@H+](Cc1ccccc1)CC1CCOCC1)NC1(C(=O)[O-])CCCCC1 ZINC000739275258 600330975 /nfs/dbraw/zinc/33/09/75/600330975.db2.gz SOXDSBMZSJYOHJ-UHFFFAOYSA-N 0 1 388.508 2.819 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000738217282 600337389 /nfs/dbraw/zinc/33/73/89/600337389.db2.gz UWOFBQZNMMRYMQ-OAHLLOKOSA-N 0 1 392.459 2.740 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000738252403 600423070 /nfs/dbraw/zinc/42/30/70/600423070.db2.gz BBWVPSXSIRVRTR-UHFFFAOYSA-N 0 1 387.322 2.662 20 0 GFADMN COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000582791618 600442042 /nfs/dbraw/zinc/44/20/42/600442042.db2.gz APMZCCBYBTXVOX-QAPCUYQASA-N 0 1 382.460 2.888 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000736809950 600475521 /nfs/dbraw/zinc/47/55/21/600475521.db2.gz MMHJBDRPLGFKNR-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000736809950 600475523 /nfs/dbraw/zinc/47/55/23/600475523.db2.gz MMHJBDRPLGFKNR-GUTXKFCHSA-N 0 1 379.432 2.629 20 0 GFADMN Cc1c(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cccc1C(=O)[O-] ZINC000738299254 600476090 /nfs/dbraw/zinc/47/60/90/600476090.db2.gz LJTARNMRCXOSDZ-UHFFFAOYSA-N 0 1 396.491 2.979 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C(=O)[O-])c1C ZINC000736183217 600480892 /nfs/dbraw/zinc/48/08/92/600480892.db2.gz UVIBMSJGTOTWTB-KRWDZBQOSA-N 0 1 397.475 2.547 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736810364 600483179 /nfs/dbraw/zinc/48/31/79/600483179.db2.gz OEMIPWSHKPRVHI-GPMSIDNRSA-N 0 1 389.496 2.809 20 0 GFADMN C[C@@H]1[C@H](C)SCC[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000736836504 600489090 /nfs/dbraw/zinc/48/90/90/600489090.db2.gz IPYJCNGRDMKVGJ-IGCXYCKISA-N 0 1 375.494 2.547 20 0 GFADMN COc1cc2c(cc1OC)CC[NH+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC000737906368 600508574 /nfs/dbraw/zinc/50/85/74/600508574.db2.gz CMBCSUSXNYHANO-UHFFFAOYSA-N 0 1 398.459 2.750 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736715355 600514660 /nfs/dbraw/zinc/51/46/60/600514660.db2.gz QXJHJFGOXHKYKD-RDJZCZTQSA-N 0 1 388.464 2.908 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(OCC[NH+](C)C)c1 ZINC000738637010 600516437 /nfs/dbraw/zinc/51/64/37/600516437.db2.gz SHYKABDTNNUROC-UHFFFAOYSA-N 0 1 392.477 2.743 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390539306 600517920 /nfs/dbraw/zinc/51/79/20/600517920.db2.gz KVSCPXXYBXTYAZ-QGZVFWFLSA-N 0 1 388.489 2.636 20 0 GFADMN CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)cn1 ZINC000737301176 600547973 /nfs/dbraw/zinc/54/79/73/600547973.db2.gz NBQNVYQOAIDVGJ-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)cn1 ZINC000737301176 600547976 /nfs/dbraw/zinc/54/79/76/600547976.db2.gz NBQNVYQOAIDVGJ-UHFFFAOYSA-N 0 1 385.468 2.649 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)CN(C)C[C@H]3CCC[N@@H+](C)C3)c2C(=O)[O-])C1 ZINC000736801615 600555382 /nfs/dbraw/zinc/55/53/82/600555382.db2.gz MPECFRVHGBFNRU-KBPBESRZSA-N 0 1 393.553 2.783 20 0 GFADMN O=C([O-])C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000738544462 600566819 /nfs/dbraw/zinc/56/68/19/600566819.db2.gz PYOZKPPLRZELIG-MRXNPFEDSA-N 0 1 399.413 2.786 20 0 GFADMN CN1CC[N@@H+](CCCNC(=O)c2ccccc2NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000737529499 600569768 /nfs/dbraw/zinc/56/97/68/600569768.db2.gz YJKQBTKWIDIZDZ-FQEVSTJZSA-N 0 1 396.491 2.885 20 0 GFADMN C[N@@H+]1CCN(CCCNC(=O)c2ccccc2NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000737529499 600569772 /nfs/dbraw/zinc/56/97/72/600569772.db2.gz YJKQBTKWIDIZDZ-FQEVSTJZSA-N 0 1 396.491 2.885 20 0 GFADMN C[N@H+]1CCN(CCCNC(=O)c2ccccc2NC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000737529499 600569773 /nfs/dbraw/zinc/56/97/73/600569773.db2.gz YJKQBTKWIDIZDZ-FQEVSTJZSA-N 0 1 396.491 2.885 20 0 GFADMN C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000736199661 600587017 /nfs/dbraw/zinc/58/70/17/600587017.db2.gz LCZUKSKYLUDMNN-AWEZNQCLSA-N 0 1 376.403 2.899 20 0 GFADMN C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCCC2)C1=O)C(=O)[O-] ZINC000736581629 600685360 /nfs/dbraw/zinc/68/53/60/600685360.db2.gz BNFUIJQDVDZILP-INIZCTEOSA-N 0 1 387.480 2.812 20 0 GFADMN C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCCC2)C1=O)C(=O)[O-] ZINC000736581629 600685362 /nfs/dbraw/zinc/68/53/62/600685362.db2.gz BNFUIJQDVDZILP-INIZCTEOSA-N 0 1 387.480 2.812 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000830852333 600709514 /nfs/dbraw/zinc/70/95/14/600709514.db2.gz PQKFXHOYJOPWPG-FQEVSTJZSA-N 0 1 381.476 2.843 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736806065 600715163 /nfs/dbraw/zinc/71/51/63/600715163.db2.gz AUFJDJLMDQDILG-HIFRSBDPSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736806065 600715167 /nfs/dbraw/zinc/71/51/67/600715167.db2.gz AUFJDJLMDQDILG-HIFRSBDPSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[N@@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736810482 600715610 /nfs/dbraw/zinc/71/56/10/600715610.db2.gz OOFWCOWQQPZASK-RHSMWYFYSA-N 0 1 378.469 2.999 20 0 GFADMN C[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[NH+]1CCCCCC1 ZINC000736226005 600737545 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COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000831364862 601564703 /nfs/dbraw/zinc/56/47/03/601564703.db2.gz OWVBUOXTTPPIBO-PBHICJAKSA-N 0 1 396.443 2.815 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000831364862 601564704 /nfs/dbraw/zinc/56/47/04/601564704.db2.gz OWVBUOXTTPPIBO-PBHICJAKSA-N 0 1 396.443 2.815 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000831364868 601564807 /nfs/dbraw/zinc/56/48/07/601564807.db2.gz OWVBUOXTTPPIBO-YOEHRIQHSA-N 0 1 396.443 2.815 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000831364868 601564808 /nfs/dbraw/zinc/56/48/08/601564808.db2.gz OWVBUOXTTPPIBO-YOEHRIQHSA-N 0 1 396.443 2.815 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4ccnc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000826521295 607515938 /nfs/dbraw/zinc/51/59/38/607515938.db2.gz HDGHBRAYFGDIJP-TZIWHRDSSA-N 0 1 389.507 2.748 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4ccnc(-c5nn[n-]n5)c4)CC[C@H]32)cc1 ZINC000826521295 607515939 /nfs/dbraw/zinc/51/59/39/607515939.db2.gz HDGHBRAYFGDIJP-TZIWHRDSSA-N 0 1 389.507 2.748 20 0 GFADMN C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000826027747 601608811 /nfs/dbraw/zinc/60/88/11/601608811.db2.gz ZWQGDNPUELCRNN-PWIZWCRZSA-N 0 1 381.476 2.872 20 0 GFADMN C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830777073 601621935 /nfs/dbraw/zinc/62/19/35/601621935.db2.gz MOZQNKQUDQREPG-UHFFFAOYSA-N 0 1 395.452 2.828 20 0 GFADMN C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830777073 601621936 /nfs/dbraw/zinc/62/19/36/601621936.db2.gz MOZQNKQUDQREPG-UHFFFAOYSA-N 0 1 395.452 2.828 20 0 GFADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000833031335 601640801 /nfs/dbraw/zinc/64/08/01/601640801.db2.gz HZXFOVPBTBYCJK-UHFFFAOYSA-N 0 1 378.498 2.753 20 0 GFADMN c1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc(-c2nnn[n-]2)n1 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/nfs/dbraw/zinc/72/92/44/601729244.db2.gz OZJILGSIDLVMHL-JOCHJYFZSA-N 0 1 398.507 2.796 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)Cc2cc(F)ccc2F)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833117153 601729671 /nfs/dbraw/zinc/72/96/71/601729671.db2.gz OSHYPAFEJVOISL-OAQYLSRUSA-N 0 1 388.414 2.743 20 0 GFADMN Cc1cc(C)n([C@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000832879623 601730936 /nfs/dbraw/zinc/73/09/36/601730936.db2.gz IZOWTEHUEDLUIC-GCJKJVERSA-N 0 1 398.507 2.687 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2cc(-c3ccco3)n[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129132 601731751 /nfs/dbraw/zinc/73/17/51/601731751.db2.gz UXBLLOZQSONIQH-OAQYLSRUSA-N 0 1 394.431 2.519 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2cc(-c3ccco3)n[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129131 601731839 /nfs/dbraw/zinc/73/18/39/601731839.db2.gz UXBLLOZQSONIQH-NRFANRHFSA-N 0 1 394.431 2.519 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2cc(F)cc3[nH]cnc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129094 601777246 /nfs/dbraw/zinc/77/72/46/601777246.db2.gz UDAVJXTYRNLHFS-NRFANRHFSA-N 0 1 396.422 2.551 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2cc(F)cc3nc[nH]c32)CCC[N@H+](Cc2ccccc2)C1 ZINC000833129094 601777247 /nfs/dbraw/zinc/77/72/47/601777247.db2.gz UDAVJXTYRNLHFS-NRFANRHFSA-N 0 1 396.422 2.551 20 0 GFADMN O=C([O-])[C@]1(NC(=O)c2cc(F)cc3nc[nH]c32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129094 601777249 /nfs/dbraw/zinc/77/72/49/601777249.db2.gz UDAVJXTYRNLHFS-NRFANRHFSA-N 0 1 396.422 2.551 20 0 GFADMN C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000109118754 601829395 /nfs/dbraw/zinc/82/93/95/601829395.db2.gz XWDRCIVNSHBHBE-ZDUSSCGKSA-N 0 1 394.880 2.720 20 0 GFADMN C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738956415 601869015 /nfs/dbraw/zinc/86/90/15/601869015.db2.gz AHDXACLLVJLVMQ-JQHSSLGASA-N 0 1 391.487 2.932 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000833221235 601888649 /nfs/dbraw/zinc/88/86/49/601888649.db2.gz FDZBEQCAOMFMQM-BEFAXECRSA-N 0 1 390.530 2.846 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000833221235 601888653 /nfs/dbraw/zinc/88/86/53/601888653.db2.gz FDZBEQCAOMFMQM-BEFAXECRSA-N 0 1 390.530 2.846 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000829889828 601890998 /nfs/dbraw/zinc/89/09/98/601890998.db2.gz GOJKAXUHWFJUQI-CQSZACIVSA-N 0 1 390.461 2.910 20 0 GFADMN CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000829889828 601891001 /nfs/dbraw/zinc/89/10/01/601891001.db2.gz GOJKAXUHWFJUQI-CQSZACIVSA-N 0 1 390.461 2.910 20 0 GFADMN C[C@@H](C[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CC1)C(=O)[O-] ZINC000827449857 601917849 /nfs/dbraw/zinc/91/78/49/601917849.db2.gz PBLZUYQBHYGDLA-JTQLQIEISA-N 0 1 389.315 2.654 20 0 GFADMN Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H](CNC(=O)[O-])C3)c2c1C ZINC000740275664 601921872 /nfs/dbraw/zinc/92/18/72/601921872.db2.gz FTNKEMAAZXVFMH-CQSZACIVSA-N 0 1 389.525 2.998 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C2CC2)CC1 ZINC000740364260 601934480 /nfs/dbraw/zinc/93/44/80/601934480.db2.gz DEAGLAIOGZEVJJ-UHFFFAOYSA-N 0 1 383.395 2.833 20 0 GFADMN COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739891145 601939057 /nfs/dbraw/zinc/93/90/57/601939057.db2.gz CNYWFLOGZDCASM-VQIMIIECSA-N 0 1 389.496 2.728 20 0 GFADMN O=C([O-])NC[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000740643123 601947099 /nfs/dbraw/zinc/94/70/99/601947099.db2.gz NGDVACCYMNMHNH-DNVCBOLYSA-N 0 1 387.505 2.933 20 0 GFADMN O=C([O-])c1ccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)s1 ZINC000833314129 601956781 /nfs/dbraw/zinc/95/67/81/601956781.db2.gz OHXCLQPYDZZKRX-INIZCTEOSA-N 0 1 380.897 2.951 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](N(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894205 601973193 /nfs/dbraw/zinc/97/31/93/601973193.db2.gz NBKQVOBATBAALP-QFBILLFUSA-N 0 1 377.485 2.583 20 0 GFADMN COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](N(C)C(=O)[O-])C2)C(C)C)cc1 ZINC000739894205 601973195 /nfs/dbraw/zinc/97/31/95/601973195.db2.gz NBKQVOBATBAALP-QFBILLFUSA-N 0 1 377.485 2.583 20 0 GFADMN C[N@H+]1CCC[C@@H](N2CCN([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000830935311 602043729 /nfs/dbraw/zinc/04/37/29/602043729.db2.gz VMUPIZJDJYUMHF-IAGOWNOFSA-N 0 1 386.323 2.831 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000830954985 602049994 /nfs/dbraw/zinc/04/99/94/602049994.db2.gz VSMOYIIQWAVADG-PMACEKPBSA-N 0 1 387.524 2.587 20 0 GFADMN C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739610012 602062861 /nfs/dbraw/zinc/06/28/61/602062861.db2.gz ZQNIYXGMZGGWFI-CJNGLKHVSA-N 0 1 382.892 2.632 20 0 GFADMN Cc1ccc(NCCCNC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)[nH+]c1 ZINC000740139928 602092238 /nfs/dbraw/zinc/09/22/38/602092238.db2.gz ZJIXWPKHRAWZOA-IRXDYDNUSA-N 0 1 389.500 2.756 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)[O-] ZINC000739638294 602097400 /nfs/dbraw/zinc/09/74/00/602097400.db2.gz ANKLVDMBBWMLKP-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CCNC(=O)[O-])cc2)C1 ZINC000739106643 602185537 /nfs/dbraw/zinc/18/55/37/602185537.db2.gz QMSRTHFFPKFDIP-INIZCTEOSA-N 0 1 390.528 2.806 20 0 GFADMN C[C@@H](CNC(=O)NCc1ccc(CCNC(=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000739108412 602186750 /nfs/dbraw/zinc/18/67/50/602186750.db2.gz PZOOELSGNUPAOU-HOTGVXAUSA-N 0 1 376.501 2.559 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828971385 602214128 /nfs/dbraw/zinc/21/41/28/602214128.db2.gz BEHUBZLVZCKOBI-JKSUJKDBSA-N 0 1 388.489 2.856 20 0 GFADMN CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828971385 602214130 /nfs/dbraw/zinc/21/41/30/602214130.db2.gz BEHUBZLVZCKOBI-JKSUJKDBSA-N 0 1 388.489 2.856 20 0 GFADMN O=C([O-])N1CCC(n2cccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000740399959 602231059 /nfs/dbraw/zinc/23/10/59/602231059.db2.gz 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ZINC000824029668 603915548 /nfs/dbraw/zinc/91/55/48/603915548.db2.gz LKLVXRABHRLLNZ-INIZCTEOSA-N 0 1 388.468 2.834 20 0 GFADMN Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000830824630 603951776 /nfs/dbraw/zinc/95/17/76/603951776.db2.gz NNSPYYUIDKCRBU-MRXNPFEDSA-N 0 1 379.420 2.783 20 0 GFADMN Cc1ccc(NC(=O)C[N@H+](C)C2CCN(C(=O)[O-])CC2)c(Br)c1 ZINC000830370746 603986725 /nfs/dbraw/zinc/98/67/25/603986725.db2.gz YVANXPPHHVYOOR-UHFFFAOYSA-N 0 1 384.274 2.770 20 0 GFADMN CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000824399754 604015573 /nfs/dbraw/zinc/01/55/73/604015573.db2.gz RXVJEYZXUHZSLJ-OAHLLOKOSA-N 0 1 378.473 2.590 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)C1 ZINC000825220733 604125609 /nfs/dbraw/zinc/12/56/09/604125609.db2.gz VXHHCZIDMRVXSR-ISARSNTHSA-N 0 1 388.512 2.900 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000830818469 604141082 /nfs/dbraw/zinc/14/10/82/604141082.db2.gz LOIUWDYQFMRJFE-GDBMZVCRSA-N 0 1 385.468 2.931 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(C(=O)[O-])CC2)[C@H]1c1cccs1 ZINC000828470255 604159384 /nfs/dbraw/zinc/15/93/84/604159384.db2.gz BNUMWYCIXCROGN-ZBFHGGJFSA-N 0 1 380.514 2.526 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000825253795 604186797 /nfs/dbraw/zinc/18/67/97/604186797.db2.gz KGLHNYHZIZPUCO-AYSPESJLSA-N 0 1 377.529 2.828 20 0 GFADMN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256239 604201187 /nfs/dbraw/zinc/20/11/87/604201187.db2.gz VPOLTDUBCYPREA-BFHYXJOUSA-N 0 1 385.472 2.627 20 0 GFADMN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256239 604201190 /nfs/dbraw/zinc/20/11/90/604201190.db2.gz VPOLTDUBCYPREA-BFHYXJOUSA-N 0 1 385.472 2.627 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830077931 604244947 /nfs/dbraw/zinc/24/49/47/604244947.db2.gz IGSYLTQVJWEZDJ-SJORKVTESA-N 0 1 388.512 2.902 20 0 GFADMN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830077931 604244949 /nfs/dbraw/zinc/24/49/49/604244949.db2.gz IGSYLTQVJWEZDJ-SJORKVTESA-N 0 1 388.512 2.902 20 0 GFADMN C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1(C(=O)[O-])CCCC1 ZINC000830681694 604454950 /nfs/dbraw/zinc/45/49/50/604454950.db2.gz APAPPAVUWLQTKT-UHFFFAOYSA-N 0 1 384.358 2.849 20 0 GFADMN C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1(C(=O)[O-])CCCC1 ZINC000830681694 604454951 /nfs/dbraw/zinc/45/49/51/604454951.db2.gz APAPPAVUWLQTKT-UHFFFAOYSA-N 0 1 384.358 2.849 20 0 GFADMN C[C@@H](NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1)c1ccc(Br)cc1 ZINC000324362904 604461153 /nfs/dbraw/zinc/46/11/53/604461153.db2.gz ICEFQUAZKWNOER-GFCCVEGCSA-N 0 1 383.286 2.956 20 0 GFADMN C[C@@H](NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1)c1ccc(Br)cc1 ZINC000324362904 604461156 /nfs/dbraw/zinc/46/11/56/604461156.db2.gz ICEFQUAZKWNOER-GFCCVEGCSA-N 0 1 383.286 2.956 20 0 GFADMN O=C([O-])c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)sc2c1CCCC2 ZINC000833106826 604498873 /nfs/dbraw/zinc/49/88/73/604498873.db2.gz WWRMKZCHEQRWCW-RNODOKPDSA-N 0 1 392.521 2.891 20 0 GFADMN O=C([O-])c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)sc2c1CCCC2 ZINC000833106826 604498879 /nfs/dbraw/zinc/49/88/79/604498879.db2.gz WWRMKZCHEQRWCW-RNODOKPDSA-N 0 1 392.521 2.891 20 0 GFADMN C[C@@H](Oc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1)C(=O)[O-] ZINC000833537999 604523098 /nfs/dbraw/zinc/52/30/98/604523098.db2.gz AVCFGPMJRRGHOR-QGZVFWFLSA-N 0 1 394.475 2.504 20 0 GFADMN CC[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC[N@H+]1CCOC ZINC000829134140 604532420 /nfs/dbraw/zinc/53/24/20/604532420.db2.gz OKFGJFPXSSXBFZ-QZTJIDSGSA-N 0 1 391.512 2.591 20 0 GFADMN COc1cc2c(c(CNC3(c4cccc(-c5nn[nH]n5)c4)CC3)c1)O[C@H](C)C2 ZINC000826179258 607704034 /nfs/dbraw/zinc/70/40/34/607704034.db2.gz HBGHKKGCXZQROT-CYBMUJFWSA-N 0 1 377.448 2.978 20 0 GFADMN CSC[C@H]1CCC[N@H+]1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000832758436 604678333 /nfs/dbraw/zinc/67/83/33/604678333.db2.gz DPPAESBFABGGCX-PBHICJAKSA-N 0 1 375.494 2.549 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1 ZINC000833603257 604684074 /nfs/dbraw/zinc/68/40/74/604684074.db2.gz MWSMFQUTJAEHTM-VNHYZAJKSA-N 0 1 384.473 2.550 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000833698665 604706999 /nfs/dbraw/zinc/70/69/99/604706999.db2.gz SBEKQNVTNQTVBW-WBVHZDCISA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000833698665 604707002 /nfs/dbraw/zinc/70/70/02/604707002.db2.gz SBEKQNVTNQTVBW-WBVHZDCISA-N 0 1 394.880 2.762 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1ccccc1C(=O)[O-] ZINC000833684831 604719000 /nfs/dbraw/zinc/71/90/00/604719000.db2.gz UZNRWYDYAYYKIZ-MRXNPFEDSA-N 0 1 392.459 2.862 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)cc2)C1 ZINC000825923957 604720142 /nfs/dbraw/zinc/72/01/42/604720142.db2.gz BDVKABPRNILZSM-MAUKXSAKSA-N 0 1 375.469 2.626 20 0 GFADMN C[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@@H](CO)c1ccccc1 ZINC000830683970 604753910 /nfs/dbraw/zinc/75/39/10/604753910.db2.gz UYZASNCDAQSKAK-HNNXBMFYSA-N 0 1 388.489 2.929 20 0 GFADMN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@@H](CO)c1ccccc1 ZINC000830683970 604753912 /nfs/dbraw/zinc/75/39/12/604753912.db2.gz UYZASNCDAQSKAK-HNNXBMFYSA-N 0 1 388.489 2.929 20 0 GFADMN Cc1c(Br)c(C(=O)[O-])nn1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000832849240 604776106 /nfs/dbraw/zinc/77/61/06/604776106.db2.gz VTBKJOMUWVAWDL-GXTWGEPZSA-N 0 1 397.317 2.558 20 0 GFADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000826004556 604797387 /nfs/dbraw/zinc/79/73/87/604797387.db2.gz BXWPKCYOXNVAOE-JXFKEZNVSA-N 0 1 381.476 2.966 20 0 GFADMN Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1OCC(=O)[O-] ZINC000832861299 604832271 /nfs/dbraw/zinc/83/22/71/604832271.db2.gz YVSBGUNBDFCNCR-VQIMIIECSA-N 0 1 386.492 2.856 20 0 GFADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)O1 ZINC000833584984 604834463 /nfs/dbraw/zinc/83/44/63/604834463.db2.gz PYYIALSKDXLAGA-YOEHRIQHSA-N 0 1 391.443 2.807 20 0 GFADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1coc(-c2cccs2)n1 ZINC000826294798 607717929 /nfs/dbraw/zinc/71/79/29/607717929.db2.gz DAWOZPRPEKIVST-UHFFFAOYSA-N 0 1 391.416 2.650 20 0 GFADMN O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000832248940 604908372 /nfs/dbraw/zinc/90/83/72/604908372.db2.gz ZTVOHGKXKDEZNU-HAGHYFMRSA-N 0 1 385.508 2.936 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000833417357 604940576 /nfs/dbraw/zinc/94/05/76/604940576.db2.gz QVPWIICCXRIKDB-HNNXBMFYSA-N 0 1 383.492 2.875 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000833416573 604952756 /nfs/dbraw/zinc/95/27/56/604952756.db2.gz BBZVJUCBLZOXPC-GXTWGEPZSA-N 0 1 383.286 2.798 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000833416573 604952760 /nfs/dbraw/zinc/95/27/60/604952760.db2.gz BBZVJUCBLZOXPC-GXTWGEPZSA-N 0 1 383.286 2.798 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@H+]1CCC[C@@H]1C(C)C ZINC000831230558 604967947 /nfs/dbraw/zinc/96/79/47/604967947.db2.gz FBBRXHVEAIBMDZ-GFCCVEGCSA-N 0 1 382.482 2.990 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833601142 604972893 /nfs/dbraw/zinc/97/28/93/604972893.db2.gz QXYJYTYNJBWLOO-CZUORRHYSA-N 0 1 391.468 2.701 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833601142 604972894 /nfs/dbraw/zinc/97/28/94/604972894.db2.gz QXYJYTYNJBWLOO-CZUORRHYSA-N 0 1 391.468 2.701 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C[N@H+]1C1CC1 ZINC000833599713 605046504 /nfs/dbraw/zinc/04/65/04/605046504.db2.gz ZNJKLICESDIGBU-WDEREUQCSA-N 0 1 380.491 2.503 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833598110 605088512 /nfs/dbraw/zinc/08/85/12/605088512.db2.gz VPLFSTJEJVCZQW-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833598110 605088518 /nfs/dbraw/zinc/08/85/18/605088518.db2.gz VPLFSTJEJVCZQW-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833598913 605088787 /nfs/dbraw/zinc/08/87/87/605088787.db2.gz ZCPLDJPSSWOHLL-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833598913 605088791 /nfs/dbraw/zinc/08/87/91/605088791.db2.gz ZCPLDJPSSWOHLL-KGLIPLIRSA-N 0 1 391.468 2.558 20 0 GFADMN Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@@H+](CCC(=O)[O-])C[C@@H]3C)s2)o1 ZINC000833746761 605104503 /nfs/dbraw/zinc/10/45/03/605104503.db2.gz PTSZQKIAJGMEKE-NSHDSACASA-N 0 1 377.466 2.641 20 0 GFADMN Cc1ccc(-c2nc(C)c(C(=O)N3CC[N@H+](CCC(=O)[O-])C[C@@H]3C)s2)o1 ZINC000833746761 605104505 /nfs/dbraw/zinc/10/45/05/605104505.db2.gz PTSZQKIAJGMEKE-NSHDSACASA-N 0 1 377.466 2.641 20 0 GFADMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c(C)n1Cc1ccccc1 ZINC000833742112 605106717 /nfs/dbraw/zinc/10/67/17/605106717.db2.gz FKTMZKKOQJGOON-KRWDZBQOSA-N 0 1 383.492 2.774 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[NH2+][C@H](CO)c3ccccc3)c2C(=O)[O-])C1 ZINC000833616347 605135069 /nfs/dbraw/zinc/13/50/69/605135069.db2.gz BBMJZFXSHZJZST-SWLSCSKDSA-N 0 1 388.489 2.833 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[NH2+][C@@H](CO)c3ccccc3)c2C(=O)[O-])C1 ZINC000833616348 605135416 /nfs/dbraw/zinc/13/54/16/605135416.db2.gz BBMJZFXSHZJZST-WFASDCNBSA-N 0 1 388.489 2.833 20 0 GFADMN C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])C2)C1 ZINC000833609686 605141160 /nfs/dbraw/zinc/14/11/60/605141160.db2.gz HOBRDZUEOBBYBX-YOMUGFJLSA-N 0 1 383.492 2.792 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccccc1OCc1cccs1 ZINC000833625442 605157984 /nfs/dbraw/zinc/15/79/84/605157984.db2.gz LSEVFNWWFADIEY-HNNXBMFYSA-N 0 1 388.489 2.948 20 0 GFADMN Cc1ccc(-c2nc(CC(=O)N3CC[N@H+](CCC(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000833746577 605166076 /nfs/dbraw/zinc/16/60/76/605166076.db2.gz KYSHNQZITPQXQX-HNNXBMFYSA-N 0 1 387.505 2.668 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833620403 605256892 /nfs/dbraw/zinc/25/68/92/605256892.db2.gz XGGYMKFLCXZNOB-UHOFOFEASA-N 0 1 395.297 2.560 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833848015 605352716 /nfs/dbraw/zinc/35/27/16/605352716.db2.gz KYYFOXSVHIFWOI-NJAFHUGGSA-N 0 1 377.460 2.685 20 0 GFADMN CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833848015 605352723 /nfs/dbraw/zinc/35/27/23/605352723.db2.gz KYYFOXSVHIFWOI-NJAFHUGGSA-N 0 1 377.460 2.685 20 0 GFADMN O=C([O-])N1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000834025975 605372055 /nfs/dbraw/zinc/37/20/55/605372055.db2.gz GWEADIDSFBMNCQ-DOTOQJQBSA-N 0 1 388.512 2.999 20 0 GFADMN O[C@@H](CN1CC[C@@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503391 607752551 /nfs/dbraw/zinc/75/25/51/607752551.db2.gz WPCSEMWDBYUXEV-WBVHZDCISA-N 0 1 385.855 2.707 20 0 GFADMN CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000833683428 605429215 /nfs/dbraw/zinc/42/92/15/605429215.db2.gz QAZBCOAYMYKNPA-ZDUSSCGKSA-N 0 1 396.465 2.557 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC000834188342 605433972 /nfs/dbraw/zinc/43/39/72/605433972.db2.gz PWZNDLJIBDGUGE-KFKAGJAMSA-N 0 1 386.496 2.593 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]21 ZINC000834183969 605437159 /nfs/dbraw/zinc/43/71/59/605437159.db2.gz QGHLEPMPSUGRFO-BPLDGKMQSA-N 0 1 388.436 2.551 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C[C@H]21 ZINC000834183969 605437160 /nfs/dbraw/zinc/43/71/60/605437160.db2.gz QGHLEPMPSUGRFO-BPLDGKMQSA-N 0 1 388.436 2.551 20 0 GFADMN CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCN(C(=O)[O-])CC1 ZINC000826897630 605483214 /nfs/dbraw/zinc/48/32/14/605483214.db2.gz MKYGMMAPBOFYAF-CYBMUJFWSA-N 0 1 379.423 2.642 20 0 GFADMN O=C([O-])Nc1ccc(Cc2nc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000834259959 605533751 /nfs/dbraw/zinc/53/37/51/605533751.db2.gz ILNIOPVUUPIJKM-HNNXBMFYSA-N 0 1 386.477 2.744 20 0 GFADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000834024326 605686414 /nfs/dbraw/zinc/68/64/14/605686414.db2.gz BUDJDZBGFXEMIO-HNAYVOBHSA-N 0 1 384.480 2.639 20 0 GFADMN Cc1sc2nc(C[NH+]3CCCC3)nc(NCC3CN(C(=O)[O-])C3)c2c1C ZINC000833935182 605730536 /nfs/dbraw/zinc/73/05/36/605730536.db2.gz DTNLSVSFQUDBMD-UHFFFAOYSA-N 0 1 375.498 2.926 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000834172095 605756736 /nfs/dbraw/zinc/75/67/36/605756736.db2.gz IFAMGIFQABPEQW-RTBURBONSA-N 0 1 385.508 2.937 20 0 GFADMN C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833613116 605888082 /nfs/dbraw/zinc/88/80/82/605888082.db2.gz DGJTVFXJOIUVDB-ZDUSSCGKSA-N 0 1 395.887 2.605 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)CC1 ZINC000834015753 605893537 /nfs/dbraw/zinc/89/35/37/605893537.db2.gz KURDAVWNQQKCII-QGZVFWFLSA-N 0 1 375.444 2.611 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)CC1 ZINC000834015753 605893539 /nfs/dbraw/zinc/89/35/39/605893539.db2.gz KURDAVWNQQKCII-QGZVFWFLSA-N 0 1 375.444 2.611 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000833835197 605894026 /nfs/dbraw/zinc/89/40/26/605894026.db2.gz VSDIUYGCCOOFAX-NEPJUHHUSA-N 0 1 384.274 2.756 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000834093031 605894425 /nfs/dbraw/zinc/89/44/25/605894425.db2.gz HNXPOUXYCWGNCS-UYAOXDASSA-N 0 1 388.508 2.907 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000833830623 605907111 /nfs/dbraw/zinc/90/71/11/605907111.db2.gz KVESCOFSSQMVKI-IJLUTSLNSA-N 0 1 377.268 2.711 20 0 GFADMN CC[N@@H+](CCC1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)CC1)CC(C)C ZINC000833857605 605927947 /nfs/dbraw/zinc/92/79/47/605927947.db2.gz ONASGXRJVDMXNJ-UHFFFAOYSA-N 0 1 382.549 2.918 20 0 GFADMN O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000834131690 606007542 /nfs/dbraw/zinc/00/75/42/606007542.db2.gz KCJJINNVJXWHOE-AWEZNQCLSA-N 0 1 389.830 2.666 20 0 GFADMN O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000834131690 606007546 /nfs/dbraw/zinc/00/75/46/606007546.db2.gz KCJJINNVJXWHOE-AWEZNQCLSA-N 0 1 389.830 2.666 20 0 GFADMN C[C@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)[N@H+](C)Cc1ccccc1 ZINC000833789792 606104486 /nfs/dbraw/zinc/10/44/86/606104486.db2.gz LMTRCURBIYWJIE-RHSMWYFYSA-N 0 1 382.464 2.666 20 0 GFADMN C[C@H](C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)[O-])CC2)[N@@H+](C)Cc1ccccc1 ZINC000833789792 606104488 /nfs/dbraw/zinc/10/44/88/606104488.db2.gz LMTRCURBIYWJIE-RHSMWYFYSA-N 0 1 382.464 2.666 20 0 GFADMN C[C@H](c1ccccn1)N1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000820571445 606110090 /nfs/dbraw/zinc/11/00/90/606110090.db2.gz YPXVCMSVILTTND-OAHLLOKOSA-N 0 1 386.463 2.693 20 0 GFADMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823140750 606251282 /nfs/dbraw/zinc/25/12/82/606251282.db2.gz ZGFJEQODNGYDSU-GOSISDBHSA-N 0 1 384.403 2.591 20 0 GFADMN COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)N2CCCC2)cc1 ZINC000821777995 606405802 /nfs/dbraw/zinc/40/58/02/606405802.db2.gz REAQQDFHHDPATR-QGZVFWFLSA-N 0 1 384.509 2.864 20 0 GFADMN COc1ccc([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)N2CCCC2)cc1 ZINC000821777995 606405804 /nfs/dbraw/zinc/40/58/04/606405804.db2.gz REAQQDFHHDPATR-QGZVFWFLSA-N 0 1 384.509 2.864 20 0 GFADMN C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c2cccs2)CCO1 ZINC000820752813 606417880 /nfs/dbraw/zinc/41/78/80/606417880.db2.gz RYLOYXFDVCDXDW-OCCSQVGLSA-N 0 1 390.538 2.541 20 0 GFADMN C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c2cccs2)CCO1 ZINC000820752813 606417881 /nfs/dbraw/zinc/41/78/81/606417881.db2.gz RYLOYXFDVCDXDW-OCCSQVGLSA-N 0 1 390.538 2.541 20 0 GFADMN Cc1noc([C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)C2)n1 ZINC000822528269 606484501 /nfs/dbraw/zinc/48/45/01/606484501.db2.gz ZKFMZOOCUWYPNF-ZDUSSCGKSA-N 0 1 391.382 2.539 20 0 GFADMN Cn1nccc1C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000822708648 606487760 /nfs/dbraw/zinc/48/77/60/606487760.db2.gz ANKQBEJLBRSZQO-UHFFFAOYSA-N 0 1 389.410 2.581 20 0 GFADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823356454 606499679 /nfs/dbraw/zinc/49/96/79/606499679.db2.gz MBBDMNCMRPKETR-ZDUSSCGKSA-N 0 1 381.421 2.908 20 0 GFADMN C[C@@]1(c2ccccc2)CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820635995 606717673 /nfs/dbraw/zinc/71/76/73/606717673.db2.gz OJPNGPLDOFEAFX-DENIHFKCSA-N 0 1 388.475 2.636 20 0 GFADMN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000819971017 606756572 /nfs/dbraw/zinc/75/65/72/606756572.db2.gz AQLSENHFOONXNW-UHFFFAOYSA-N 0 1 398.540 2.728 20 0 GFADMN c1ccc(-c2ccc(CN3CCO[C@@H]([C@H]4CCCO4)C3)cc2)c(-c2nn[nH]n2)c1 ZINC000823766448 606771011 /nfs/dbraw/zinc/77/10/11/606771011.db2.gz DGFXNIAOFLETNG-NHCUHLMSSA-N 0 1 391.475 2.914 20 0 GFADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000822955367 606969533 /nfs/dbraw/zinc/96/95/33/606969533.db2.gz RUQIJBJNWGJXMP-UHFFFAOYSA-N 0 1 395.345 2.796 20 0 GFADMN O=C(CC1CCCC1)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822941314 606972409 /nfs/dbraw/zinc/97/24/09/606972409.db2.gz UPIRFUITUOUNFC-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN Cc1cc(Sc2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822213024 607210831 /nfs/dbraw/zinc/21/08/31/607210831.db2.gz RCWBRLYKXOUMMR-UHFFFAOYSA-N 0 1 392.448 2.557 20 0 GFADMN CN(C)[C@H](CNc1ccc(-c2nn[nH]n2)cc1Br)c1ccco1 ZINC000825848480 607987664 /nfs/dbraw/zinc/98/76/64/607987664.db2.gz DFPHWIOABGNGFC-CYBMUJFWSA-N 0 1 377.246 2.937 20 0 GFADMN CN1CC[C@@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826029221 608007761 /nfs/dbraw/zinc/00/77/61/608007761.db2.gz QTFOZJOULXRCPS-IEBWSBKVSA-N 0 1 394.504 2.520 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826077849 608020468 /nfs/dbraw/zinc/02/04/68/608020468.db2.gz XQVZJHNKCDXWNR-CHWSQXEVSA-N 0 1 388.520 2.533 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826077849 608020469 /nfs/dbraw/zinc/02/04/69/608020469.db2.gz XQVZJHNKCDXWNR-CHWSQXEVSA-N 0 1 388.520 2.533 20 0 GFADMN CC[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825114137 608021028 /nfs/dbraw/zinc/02/10/28/608021028.db2.gz JYNIGKIIWVZXRX-AWEZNQCLSA-N 0 1 388.520 2.677 20 0 GFADMN CC[C@@H](CC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825114137 608021029 /nfs/dbraw/zinc/02/10/29/608021029.db2.gz JYNIGKIIWVZXRX-AWEZNQCLSA-N 0 1 388.520 2.677 20 0 GFADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000826231990 608144892 /nfs/dbraw/zinc/14/48/92/608144892.db2.gz AQGZFFFUEBNSNC-KRWDZBQOSA-N 0 1 390.491 2.705 20 0 GFADMN CCN(Cc1ccc(OC)cc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825435119 608153183 /nfs/dbraw/zinc/15/31/83/608153183.db2.gz MPHHTSWVNXNLMC-LJQANCHMSA-N 0 1 392.463 2.503 20 0 GFADMN CC(C)c1nc([C@@H](C)NC(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000824358377 608203472 /nfs/dbraw/zinc/20/34/72/608203472.db2.gz IMGGFONHYPQITA-SSDOTTSWSA-N 0 1 395.254 2.906 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000826169156 608368736 /nfs/dbraw/zinc/36/87/36/608368736.db2.gz JWMKURSXBLUCMQ-CQSZACIVSA-N 0 1 387.484 2.819 20 0 GFADMN COc1cccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000826214348 608432195 /nfs/dbraw/zinc/43/21/95/608432195.db2.gz IYLFPGHGXVTYRP-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN COc1cc([C@@H](C)NCc2cccc(-c3nn[nH]n3)c2F)cc(OC)c1OC ZINC000826177293 608449386 /nfs/dbraw/zinc/44/93/86/608449386.db2.gz BTRLNQLJSIKQJN-LLVKDONJSA-N 0 1 387.415 2.882 20 0 GFADMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139084 608455949 /nfs/dbraw/zinc/45/59/49/608455949.db2.gz BJUIVZZRXPJVIU-CJNGLKHVSA-N 0 1 380.452 2.943 20 0 GFADMN Cc1ccc(SCCNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826293014 608466321 /nfs/dbraw/zinc/46/63/21/608466321.db2.gz XBDWMZNJIDQQAR-HNNXBMFYSA-N 0 1 396.520 2.734 20 0 GFADMN C[C@H](NCC(=O)N1c2ccccc2CC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555099 608466487 /nfs/dbraw/zinc/46/64/87/608466487.db2.gz USFKEFBSQWBJBA-GJZGRUSLSA-N 0 1 376.464 2.885 20 0 GFADMN CC(C)CN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261641 608568201 /nfs/dbraw/zinc/56/82/01/608568201.db2.gz NSNYGARUDWFIFH-UHFFFAOYSA-N 0 1 381.484 2.555 20 0 GFADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000824898625 608589878 /nfs/dbraw/zinc/58/98/78/608589878.db2.gz GKQBDKBQZUJVLI-DOMZBBRYSA-N 0 1 395.467 2.771 20 0 GFADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000826519323 608679366 /nfs/dbraw/zinc/67/93/66/608679366.db2.gz UHLUXFVZQYLHQX-MRXNPFEDSA-N 0 1 389.419 2.580 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824892350 608845177 /nfs/dbraw/zinc/84/51/77/608845177.db2.gz HDMNNSKGZXYPHM-NEPJUHHUSA-N 0 1 378.502 2.806 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824892350 608845180 /nfs/dbraw/zinc/84/51/80/608845180.db2.gz HDMNNSKGZXYPHM-NEPJUHHUSA-N 0 1 378.502 2.806 20 0 GFADMN 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GFADMN C[C@@H](O)CN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000188723067 552453404 /nfs/dbraw/zinc/45/34/04/552453404.db2.gz CTPWWGCFEMUQMT-LLVKDONJSA-N 0 1 381.236 2.966 20 0 GFADMN C[C@H](C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1ccc(Br)cc1 ZINC000188756911 552454524 /nfs/dbraw/zinc/45/45/24/552454524.db2.gz JXARLJCQPPJFFT-KGLIPLIRSA-N 0 1 383.330 2.856 20 0 GFADMN O=S(=O)(CCO)c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000189172186 552464988 /nfs/dbraw/zinc/46/49/88/552464988.db2.gz ZCWNKSILHKJXNP-KRWDZBQOSA-N 0 1 381.494 2.918 20 0 GFADMN O=C(NCCN1CCCOCC1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000189429048 552471593 /nfs/dbraw/zinc/47/15/93/552471593.db2.gz ZBHDNRUWRKIUNC-UHFFFAOYSA-N 0 1 395.219 2.920 20 0 GFADMN CCS[C@H]1CCCC[C@H]1NCc1nnc2n1c1ccsc1c(=O)n2C ZINC000189483780 552472837 /nfs/dbraw/zinc/47/28/37/552472837.db2.gz SRLOPDZHRQKENO-YPMHNXCESA-N 0 1 377.539 2.797 20 0 GFADMN Cc1ccc(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1Br ZINC000189639533 552476365 /nfs/dbraw/zinc/47/63/65/552476365.db2.gz 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CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N(C)Cc1cc(Br)cs1 ZINC000236951185 553072926 /nfs/dbraw/zinc/07/29/26/553072926.db2.gz HGSTVSLITWGOCU-JTQLQIEISA-N 0 1 377.304 2.654 20 0 GFADMN CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000236973861 553073849 /nfs/dbraw/zinc/07/38/49/553073849.db2.gz UKDGKXVGSHGQGU-AWEZNQCLSA-N 0 1 382.507 2.590 20 0 GFADMN COc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1Br ZINC000237326256 553076609 /nfs/dbraw/zinc/07/66/09/553076609.db2.gz SRSGDZOFHJUPES-MRXNPFEDSA-N 0 1 375.266 2.788 20 0 GFADMN C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CCN1 ZINC000237597408 553079424 /nfs/dbraw/zinc/07/94/24/553079424.db2.gz AZWOZIOCVPODNQ-LLVKDONJSA-N 0 1 380.311 2.935 20 0 GFADMN CCN(C[C@@H]1CCN([C@H](C)C(=O)NCc2cccs2)C1)CC(F)(F)F ZINC000246208469 553104390 /nfs/dbraw/zinc/10/43/90/553104390.db2.gz NQHLRQPILVXFKR-KGLIPLIRSA-N 0 1 377.476 2.959 20 0 GFADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246810962 553113234 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Cc1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248720133 553133695 /nfs/dbraw/zinc/13/36/95/553133695.db2.gz OIGLUPYSJKAVLH-ZFWWWQNUSA-N 0 1 387.343 2.862 20 0 GFADMN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248976486 553138048 /nfs/dbraw/zinc/13/80/48/553138048.db2.gz DOJFBCARFMOTEU-RYUDHWBXSA-N 0 1 388.281 2.815 20 0 GFADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249110444 553139832 /nfs/dbraw/zinc/13/98/32/553139832.db2.gz RAQSCYRTAGNKJM-STQMWFEESA-N 0 1 388.917 2.525 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)N1CCC[C@H](C)C1 ZINC000252203193 553148996 /nfs/dbraw/zinc/14/89/96/553148996.db2.gz UNSORCONDPLJFH-NWDGAFQWSA-N 0 1 393.322 2.987 20 0 GFADMN CN[C@@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)c1cnn(C)c1 ZINC000262554150 553172622 /nfs/dbraw/zinc/17/26/22/553172622.db2.gz PEURQKHHPUUGBO-CZUORRHYSA-N 0 1 383.279 2.667 20 0 GFADMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000263131738 553183073 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/nfs/dbraw/zinc/81/31/88/563813188.db2.gz VJOCKAFIIHEFKO-UHFFFAOYSA-N 0 1 384.196 2.918 20 0 GFADMN C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)[C@H](C)CN1CCO ZINC000416287145 563813204 /nfs/dbraw/zinc/81/32/04/563813204.db2.gz BTPXLDPQOKLDFV-CHWSQXEVSA-N 0 1 389.359 2.747 20 0 GFADMN Cc1ccc(CCC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(Br)c1 ZINC000416302666 563813963 /nfs/dbraw/zinc/81/39/63/563813963.db2.gz GIILVLVPNIPGLL-CABCVRRESA-N 0 1 383.330 2.604 20 0 GFADMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)n[nH]1 ZINC000366699872 563817519 /nfs/dbraw/zinc/81/75/19/563817519.db2.gz HQPIPBOIQIJIIG-CQSZACIVSA-N 0 1 382.873 2.537 20 0 GFADMN COC(=O)c1c(Cl)cccc1S(=O)(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000416369118 563818331 /nfs/dbraw/zinc/81/83/31/563818331.db2.gz HVWUAEBUXHLMPQ-QWHCGFSZSA-N 0 1 388.917 2.525 20 0 GFADMN CCOC(=O)C[C@@H](NC(=O)c1coc(CN)c1)c1ccc(Br)cc1 ZINC000444130262 563822810 /nfs/dbraw/zinc/82/28/10/563822810.db2.gz PZMCVFVXLCJWMY-OAHLLOKOSA-N 0 1 395.253 2.925 20 0 GFADMN Cc1nc(C(C)(C)NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)no1 ZINC000444142317 563822814 /nfs/dbraw/zinc/82/28/14/563822814.db2.gz KPOBKHJVRYZEPK-UHFFFAOYSA-N 0 1 391.225 2.647 20 0 GFADMN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)N1CCC=C(Br)C1 ZINC000367011532 563827463 /nfs/dbraw/zinc/82/74/63/563827463.db2.gz SHPYFZCSVCFOQJ-YOEHRIQHSA-N 0 1 393.329 2.986 20 0 GFADMN O=C(Cc1cc(Cl)ccc1Br)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000367116305 563831919 /nfs/dbraw/zinc/83/19/19/563831919.db2.gz ARBBJUCXBYVDQM-VIFPVBQESA-N 0 1 384.665 2.564 20 0 GFADMN Cc1c(NC(=O)c2cn3ccc(Br)cc3n2)[nH]nc1-c1ccncc1 ZINC000367150714 563832814 /nfs/dbraw/zinc/83/28/14/563832814.db2.gz ISRJFOJQVKPOEH-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GFADMN COC(=O)c1ccc(CN2CCC(n3cc(Br)cn3)CC2)nc1 ZINC000367216954 563836417 /nfs/dbraw/zinc/83/64/17/563836417.db2.gz HYBIQQFTLZRQMP-UHFFFAOYSA-N 0 1 379.258 2.664 20 0 GFADMN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(I)c2)CN1 ZINC000367434985 563844449 /nfs/dbraw/zinc/84/44/49/563844449.db2.gz ANLPOXBQUUFTHB-HIFRSBDPSA-N 0 1 384.261 2.782 20 0 GFADMN COCCN1CCCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000294518006 563845147 /nfs/dbraw/zinc/84/51/47/563845147.db2.gz LJNRNCGKSGRSLI-UHFFFAOYSA-N 0 1 387.293 2.702 20 0 GFADMN CC(C)CN1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000445245042 563845778 /nfs/dbraw/zinc/84/57/78/563845778.db2.gz AGSBVRXGAOMRBA-HNNXBMFYSA-N 0 1 394.313 2.675 20 0 GFADMN COCc1ccccc1CS(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000416549667 563846828 /nfs/dbraw/zinc/84/68/28/563846828.db2.gz CVUBJMGTJWAXGY-UHFFFAOYSA-N 0 1 382.551 2.788 20 0 GFADMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(C)c(Br)c1 ZINC000445553678 563850323 /nfs/dbraw/zinc/85/03/23/563850323.db2.gz NESLTOUNLZZGNX-UHFFFAOYSA-N 0 1 388.287 2.829 20 0 GFADMN NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 ZINC000445651257 563851344 /nfs/dbraw/zinc/85/13/44/563851344.db2.gz RLOHCHMNHXFNIG-UHFFFAOYSA-N 0 1 376.825 2.630 20 0 GFADMN Cc1nc([C@H](NS(=O)(=O)c2ccc(Cl)nc2C)c2ccccc2)n[nH]1 ZINC000367749613 563854053 /nfs/dbraw/zinc/85/40/53/563854053.db2.gz LDVLHQQFVNXGLX-OAHLLOKOSA-N 0 1 377.857 2.538 20 0 GFADMN Cc1nc([C@@H](NS(=O)(=O)c2ccc(Cl)nc2C)c2ccccc2)n[nH]1 ZINC000367749612 563854061 /nfs/dbraw/zinc/85/40/61/563854061.db2.gz LDVLHQQFVNXGLX-HNNXBMFYSA-N 0 1 377.857 2.538 20 0 GFADMN COC(=O)c1cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1Br ZINC000368116132 563864643 /nfs/dbraw/zinc/86/46/43/563864643.db2.gz SLFCXZFPWUSFKN-JTQLQIEISA-N 0 1 393.241 2.638 20 0 GFADMN CCOCCOc1ccc(Br)cc1CN1CC[C@@H](CC(N)=O)C1 ZINC000368131851 563864675 /nfs/dbraw/zinc/86/46/75/563864675.db2.gz CCGQHZCDSQZMNU-ZDUSSCGKSA-N 0 1 385.302 2.562 20 0 GFADMN O=C(NCCN1CCCOCC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000446499069 563865177 /nfs/dbraw/zinc/86/51/77/563865177.db2.gz OCTCFBLJCJEZSE-CQSZACIVSA-N 0 1 379.810 2.965 20 0 GFADMN Cc1cc(Br)c(F)cc1NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000416992535 563865251 /nfs/dbraw/zinc/86/52/51/563865251.db2.gz HRUKLSMNCZADOX-NWDGAFQWSA-N 0 1 388.281 2.815 20 0 GFADMN Cc1cc(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc(C)c1Br ZINC000417054924 563866510 /nfs/dbraw/zinc/86/65/10/563866510.db2.gz HMLPUHLLJBWETB-KBPBESRZSA-N 0 1 384.318 2.985 20 0 GFADMN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(F)cc1O ZINC000446791624 563869282 /nfs/dbraw/zinc/86/92/82/563869282.db2.gz HMJSBMHHZSNTNX-AWEZNQCLSA-N 0 1 393.212 2.829 20 0 GFADMN O=C1[C@@H](NCc2cccc3nccn32)CCN1c1cccc(Br)c1 ZINC000447071477 563874215 /nfs/dbraw/zinc/87/42/15/563874215.db2.gz ZBEDMVIFVFQCHK-INIZCTEOSA-N 0 1 385.265 2.992 20 0 GFADMN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000417478465 563880941 /nfs/dbraw/zinc/88/09/41/563880941.db2.gz IIUQZCSSJBFMLF-OWCLPIDISA-N 0 1 393.329 2.564 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000368976660 563883567 /nfs/dbraw/zinc/88/35/67/563883567.db2.gz XYVGNASQVYAZKV-KGLIPLIRSA-N 0 1 379.551 2.692 20 0 GFADMN C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000368978212 563883790 /nfs/dbraw/zinc/88/37/90/563883790.db2.gz AQIWEYVGZNUXQD-AWEZNQCLSA-N 0 1 398.320 2.688 20 0 GFADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc([S@](C)=O)c2)cc1OC ZINC000447780857 563885837 /nfs/dbraw/zinc/88/58/37/563885837.db2.gz AGPZZDVNCLEJRB-QHCPKHFHSA-N 0 1 389.882 2.895 20 0 GFADMN CC1(C)CCCN(CCNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1 ZINC000447876201 563889833 /nfs/dbraw/zinc/88/98/33/563889833.db2.gz YUFRPENHGFVHCI-UHFFFAOYSA-N 0 1 380.432 2.827 20 0 GFADMN Cc1ccc(Br)cc1CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000448628858 563899135 /nfs/dbraw/zinc/89/91/35/563899135.db2.gz UJGWMDKNJUUHQE-HUUCEWRRSA-N 0 1 383.330 2.916 20 0 GFADMN COCCN1CC[C@H](NC(=O)COc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000448934591 563903360 /nfs/dbraw/zinc/90/33/60/563903360.db2.gz WOMHBGOSZIPYBB-NSHDSACASA-N 0 1 381.687 2.863 20 0 GFADMN CCOCCN(CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449020285 563905534 /nfs/dbraw/zinc/90/55/34/563905534.db2.gz QDCGPJWFKVAXTM-ZDUSSCGKSA-N 0 1 387.318 2.821 20 0 GFADMN CS(=O)(=O)c1cccc(CN[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000449150007 563907482 /nfs/dbraw/zinc/90/74/82/563907482.db2.gz YLUXLBMJOGJQIV-CQSZACIVSA-N 0 1 378.881 2.639 20 0 GFADMN CN(Cc1cncc(Br)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470813227 564177830 /nfs/dbraw/zinc/17/78/30/564177830.db2.gz VJLVNIAFKNBYHS-HOTGVXAUSA-N 0 1 394.292 2.679 20 0 GFADMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cccc(F)c1Br ZINC000449253776 564178150 /nfs/dbraw/zinc/17/81/50/564178150.db2.gz VUVKYCCYUVIUHV-OLZOCXBDSA-N 0 1 379.295 2.538 20 0 GFADMN C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(Br)c(F)c1 ZINC000537938528 564178598 /nfs/dbraw/zinc/17/85/98/564178598.db2.gz DCXCURAHTSVHKI-JTQLQIEISA-N 0 1 381.311 2.957 20 0 GFADMN CO[C@]1(C)CCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000470913444 564179846 /nfs/dbraw/zinc/17/98/46/564179846.db2.gz PARYTMLBDUWYGN-OAHLLOKOSA-N 0 1 375.332 2.970 20 0 GFADMN Cc1n[nH]c([C@H]2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)n1 ZINC000563232955 564181235 /nfs/dbraw/zinc/18/12/35/564181235.db2.gz MCHHBSWYKFROOJ-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN Cc1nnc([C@H]2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000563232955 564181239 /nfs/dbraw/zinc/18/12/39/564181239.db2.gz MCHHBSWYKFROOJ-JQWIXIFHSA-N 0 1 378.274 2.692 20 0 GFADMN CC[C@@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(Br)cc1)C(=O)OC ZINC000538140801 564183187 /nfs/dbraw/zinc/18/31/87/564183187.db2.gz UWJIWAAAQVAPQH-XHBSWPGZSA-N 0 1 385.302 2.804 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)c(C)c1 ZINC000538134326 564183518 /nfs/dbraw/zinc/18/35/18/564183518.db2.gz CSGWTARHQCIOST-UHFFFAOYSA-N 0 1 383.491 2.987 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCc1ccnc(C)c1 ZINC000449404613 564184216 /nfs/dbraw/zinc/18/42/16/564184216.db2.gz VRRASDUAGSEHFS-CYBMUJFWSA-N 0 1 392.297 2.956 20 0 GFADMN Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000563368283 564188453 /nfs/dbraw/zinc/18/84/53/564188453.db2.gz VWEIGNZHKDUPSW-OAHLLOKOSA-N 0 1 397.317 2.871 20 0 GFADMN C[C@H](CCCOc1ccccc1C(N)=O)NCc1nn(C)cc1Br ZINC000449486370 564189085 /nfs/dbraw/zinc/18/90/85/564189085.db2.gz UKVABVAMLNJGKV-GFCCVEGCSA-N 0 1 395.301 2.619 20 0 GFADMN COc1ccc([C@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(Br)c1 ZINC000538393324 564190008 /nfs/dbraw/zinc/19/00/08/564190008.db2.gz WRSUNVNSYNCDLK-NWDGAFQWSA-N 0 1 391.331 2.532 20 0 GFADMN COc1ccc(C[C@H](CO)CNCc2cn(C(C)C)nn2)cc1Br ZINC000449597888 564190837 /nfs/dbraw/zinc/19/08/37/564190837.db2.gz GUDYVHRSVGGIDG-AWEZNQCLSA-N 0 1 397.317 2.571 20 0 GFADMN COc1cc(CN[C@@H](C)c2cncc(Br)c2)ccc1OCC(N)=O ZINC000563442999 564191784 /nfs/dbraw/zinc/19/17/84/564191784.db2.gz PTTNIWZHYPZIBV-NSHDSACASA-N 0 1 394.269 2.568 20 0 GFADMN COc1cc(Cl)c(CN2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000563481656 564193170 /nfs/dbraw/zinc/19/31/70/564193170.db2.gz FWCNEYQUJTURBU-PIGZYNQJSA-N 0 1 386.279 2.955 20 0 GFADMN O=C(NCCCCN1CCOCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000449676380 564194518 /nfs/dbraw/zinc/19/45/18/564194518.db2.gz GSXBUZODHBQYPI-DLBZAZTESA-N 0 1 381.314 2.781 20 0 GFADMN O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cc(Br)cc2nc[nH]c21 ZINC000506020510 564195480 /nfs/dbraw/zinc/19/54/80/564195480.db2.gz XSDYWKTZNJXWNM-XJKSGUPXSA-N 0 1 387.237 2.980 20 0 GFADMN CC[NH+](CC)CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471511764 564196588 /nfs/dbraw/zinc/19/65/88/564196588.db2.gz SXHSMEYYFXZBTG-UHFFFAOYSA-N 0 1 387.702 2.862 20 0 GFADMN CN1CCN(c2cc(CNC(=O)c3ccsc3Br)ccn2)CC1 ZINC000449707422 564197873 /nfs/dbraw/zinc/19/78/73/564197873.db2.gz QURVHTQDQFVSKH-UHFFFAOYSA-N 0 1 395.326 2.587 20 0 GFADMN COc1ccccc1S(=O)(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471572521 564198755 /nfs/dbraw/zinc/19/87/55/564198755.db2.gz USNYAVVROHPWID-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN COCCNS(=O)(=O)c1ccc(CN[C@@H](C)c2sccc2OC)cc1 ZINC000471602303 564199446 /nfs/dbraw/zinc/19/94/46/564199446.db2.gz BRHDVOUSJUYXEZ-ZDUSSCGKSA-N 0 1 384.523 2.532 20 0 GFADMN O=S1(=O)CC[C@H](N[C@H](CO)CC2CCC2)c2cc(Br)ccc21 ZINC000563760637 564205962 /nfs/dbraw/zinc/20/59/62/564205962.db2.gz JZUOFIUGQFFGIV-ZFWWWQNUSA-N 0 1 388.327 2.808 20 0 GFADMN 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QOLHOCWEUFCCNP-CQSZACIVSA-N 0 1 376.254 2.748 20 0 GFADMN Cc1ccc(Br)cc1NC(=O)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000469177754 565008391 /nfs/dbraw/zinc/00/83/91/565008391.db2.gz BPBVLJLPZKLCFP-CHWSQXEVSA-N 0 1 382.302 2.685 20 0 GFADMN CC(C)N1CCc2nc(CNCc3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000469271069 565011351 /nfs/dbraw/zinc/01/13/51/565011351.db2.gz YBOHZJSJUYXQRW-UHFFFAOYSA-N 0 1 385.580 2.664 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3ccc(C(=O)OC)cc3C2)c1Br ZINC000469269083 565011665 /nfs/dbraw/zinc/01/16/65/565011665.db2.gz PWWVVMQVHROKOW-UHFFFAOYSA-N 0 1 392.253 2.720 20 0 GFADMN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000503133631 565012427 /nfs/dbraw/zinc/01/24/27/565012427.db2.gz SUWHGANGIYRIKT-GFCCVEGCSA-N 0 1 399.248 2.861 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000561899277 565012728 /nfs/dbraw/zinc/01/27/28/565012728.db2.gz JVQAKEFAFSWYOT-NWDGAFQWSA-N 0 1 380.432 2.810 20 0 GFADMN Cc1csc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1I ZINC000469309179 565013310 /nfs/dbraw/zinc/01/33/10/565013310.db2.gz CXTSAQASFCHUJI-NSHDSACASA-N 0 1 390.290 2.970 20 0 GFADMN CC[NH+]1CCC(NC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000562053803 565016124 /nfs/dbraw/zinc/01/61/24/565016124.db2.gz LHYZTMYFFDGAEK-UHFFFAOYSA-N 0 1 378.270 2.917 20 0 GFADMN COCCC1(C)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 ZINC000562219082 565020550 /nfs/dbraw/zinc/02/05/50/565020550.db2.gz YGSMJJJECSDDEY-UHFFFAOYSA-N 0 1 379.254 2.789 20 0 GFADMN NC(=O)c1[nH]nc2ccc(NC(=O)c3cc(Br)cc4nc[nH]c43)cc21 ZINC000503511256 565021691 /nfs/dbraw/zinc/02/16/91/565021691.db2.gz TWDDTTCCWGTADS-UHFFFAOYSA-N 0 1 399.208 2.553 20 0 GFADMN CC(C)N1CCO[C@H](C(=O)NCc2ccc(Br)cc2Cl)C1 ZINC000469624254 565022432 /nfs/dbraw/zinc/02/24/32/565022432.db2.gz ZCNIIAOCTUIEES-AWEZNQCLSA-N 0 1 375.694 2.828 20 0 GFADMN C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000503557961 565023419 /nfs/dbraw/zinc/02/34/19/565023419.db2.gz MOCFEFMHYDSZRM-IHRRRGAJSA-N 0 1 384.318 2.607 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCNCc1ccc(Br)c(Cl)c1 ZINC000562361666 565025917 /nfs/dbraw/zinc/02/59/17/565025917.db2.gz COZKOTIBADRZHR-UHFFFAOYSA-N 0 1 383.739 2.910 20 0 GFADMN O=C(c1cccc2c[nH]nc21)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000503839809 565028537 /nfs/dbraw/zinc/02/85/37/565028537.db2.gz KZSQOKFGEMSDTO-INIZCTEOSA-N 0 1 399.248 2.639 20 0 GFADMN O=C(c1cc(=O)c2cc(Br)ccc2[nH]1)N1C[C@@H](O)Cc2ccccc21 ZINC000562603725 565035380 /nfs/dbraw/zinc/03/53/80/565035380.db2.gz WXJMPCLGLXFGKO-ZDUSSCGKSA-N 0 1 399.244 2.854 20 0 GFADMN Cc1[nH]c2nc(S(=O)(=O)CCC3CCOCC3)nc-2cc1Br ZINC000562777191 565042332 /nfs/dbraw/zinc/04/23/32/565042332.db2.gz OKDDSBVVEGRWQY-UHFFFAOYSA-N 0 1 388.287 2.619 20 0 GFADMN C[C@@](NC(=O)c1cccc(Br)c1O)(C(N)=O)c1cccc(Cl)c1 ZINC000536725565 565045906 /nfs/dbraw/zinc/04/59/06/565045906.db2.gz KTDVGZYHPPVACJ-INIZCTEOSA-N 0 1 397.656 2.939 20 0 GFADMN C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[S@]1=O ZINC000563040959 565052700 /nfs/dbraw/zinc/05/27/00/565052700.db2.gz FPPSRRXFMLGBMH-HXPRZGOKSA-N 0 1 383.583 2.684 20 0 GFADMN Cc1cc(Br)cc2c1CN(C(=O)[C@H](C)CN1CCOCC1)CC2 ZINC000537170270 565053773 /nfs/dbraw/zinc/05/37/73/565053773.db2.gz INYIEQUGCFPRKI-CQSZACIVSA-N 0 1 381.314 2.611 20 0 GFADMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000537406137 565058220 /nfs/dbraw/zinc/05/82/20/565058220.db2.gz DLFMUERNTXQLCN-KNXALSJPSA-N 0 1 388.892 2.530 20 0 GFADMN CCNC(=O)c1ccc(CNC(=O)c2cccc(Br)c2O)cc1 ZINC000537652625 565060803 /nfs/dbraw/zinc/06/08/03/565060803.db2.gz BLZFLJZWEAFBNG-UHFFFAOYSA-N 0 1 377.238 2.834 20 0 GFADMN CN(C)C1(C(=O)NCc2cc(Br)ccc2Br)CC1 ZINC000613632056 565076250 /nfs/dbraw/zinc/07/62/50/565076250.db2.gz ZNCAIEWPSWYDAD-UHFFFAOYSA-N 0 1 376.092 2.922 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000635895563 565080349 /nfs/dbraw/zinc/08/03/49/565080349.db2.gz GBELYNWMMFBEFZ-UHFFFAOYSA-N 0 1 378.274 2.691 20 0 GFADMN Cc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1Br ZINC000635995274 565085983 /nfs/dbraw/zinc/08/59/83/565085983.db2.gz LNCZODYHKCBVRG-RBSFLKMASA-N 0 1 392.297 2.552 20 0 GFADMN O=C(Nc1cc(N2CCOCC2)ccc1Br)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635997401 565086028 /nfs/dbraw/zinc/08/60/28/565086028.db2.gz VRWGDVDDMNNMGY-CHWSQXEVSA-N 0 1 391.269 2.751 20 0 GFADMN O=C(CCCc1nn[nH]n1)Nc1cc(Br)ccc1OC(F)(F)F ZINC000636067019 565088524 /nfs/dbraw/zinc/08/85/24/565088524.db2.gz ZRAIBVSWMKTQHE-UHFFFAOYSA-N 0 1 394.151 2.822 20 0 GFADMN COC[C@@H](CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1)OC ZINC000657258223 565093374 /nfs/dbraw/zinc/09/33/74/565093374.db2.gz OXAWVYAPRRVJGQ-JTQLQIEISA-N 0 1 388.287 2.996 20 0 GFADMN CN(CC(=O)NCCCc1nc(-c2ccccn2)cs1)[C@@H]1CCSC1 ZINC000636167068 565094204 /nfs/dbraw/zinc/09/42/04/565094204.db2.gz IIXKQQTUVVLIBP-CQSZACIVSA-N 0 1 376.551 2.691 20 0 GFADMN CCc1cccc2cc(CNC[C@@H](O)CS(=O)(=O)c3cccs3)oc21 ZINC000657415440 565099309 /nfs/dbraw/zinc/09/93/09/565099309.db2.gz JYSQQNUAHKSYEB-OAHLLOKOSA-N 0 1 379.503 2.981 20 0 GFADMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000685310176 565103724 /nfs/dbraw/zinc/10/37/24/565103724.db2.gz GQVPIQDGOAYMQH-MEDUHNTESA-N 0 1 384.307 2.551 20 0 GFADMN Cc1ccc([C@@H](CNC(=O)CCn2cc(Br)cn2)N2CCCC2)o1 ZINC000585716601 565107034 /nfs/dbraw/zinc/10/70/34/565107034.db2.gz DKGYMNIJCOCLHM-OAHLLOKOSA-N 0 1 395.301 2.890 20 0 GFADMN COC[C@@H](CCNCc1ncc(Br)cc1Br)OC ZINC000657554925 565107790 /nfs/dbraw/zinc/10/77/90/565107790.db2.gz RERVECCEAJZKFZ-SNVBAGLBSA-N 0 1 382.096 2.748 20 0 GFADMN CO[C@@](C)(CNCc1c(Br)cnn1C)COCc1ccccc1 ZINC000657592307 565112116 /nfs/dbraw/zinc/11/21/16/565112116.db2.gz SFWUGGWMNMEPKD-KRWDZBQOSA-N 0 1 382.302 2.894 20 0 GFADMN O=C(c1cccc(Br)c1F)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614436130 565112149 /nfs/dbraw/zinc/11/21/49/565112149.db2.gz PADNQMRKYJBWFS-CYBMUJFWSA-N 0 1 385.277 2.915 20 0 GFADMN CN(C)C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636819333 565126120 /nfs/dbraw/zinc/12/61/20/565126120.db2.gz 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CC[N@H+]1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@@H]1C ZINC000617297626 565231023 /nfs/dbraw/zinc/23/10/23/565231023.db2.gz CDWOLZUMOBQMKT-NSHDSACASA-N 0 1 384.274 2.794 20 0 GFADMN CCN1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)C[C@@H]1C ZINC000617297626 565231028 /nfs/dbraw/zinc/23/10/28/565231028.db2.gz CDWOLZUMOBQMKT-NSHDSACASA-N 0 1 384.274 2.794 20 0 GFADMN CN(CC[C@@H]1Sc2ccccc2NC1=O)CC(=O)NCc1cccs1 ZINC000659923680 565232587 /nfs/dbraw/zinc/23/25/87/565232587.db2.gz VQIVFKRTPSPGPR-INIZCTEOSA-N 0 1 375.519 2.799 20 0 GFADMN NS(=O)(=O)c1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000639256492 565236240 /nfs/dbraw/zinc/23/62/40/565236240.db2.gz IRVKJDGOZUIKIU-GFCCVEGCSA-N 0 1 398.472 2.577 20 0 GFADMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000591816554 565240846 /nfs/dbraw/zinc/24/08/46/565240846.db2.gz IEQUNUBKEFOJDV-UHFFFAOYSA-N 0 1 376.400 2.758 20 0 GFADMN CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000617539318 565245573 /nfs/dbraw/zinc/24/55/73/565245573.db2.gz 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C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000644299399 565471573 /nfs/dbraw/zinc/47/15/73/565471573.db2.gz JWYLZMJXUVQCTA-TZMCWYRMSA-N 0 1 383.926 2.788 20 0 GFADMN CN1C[C@H]2CCN(S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)[C@@H]2C1 ZINC000644299399 565471577 /nfs/dbraw/zinc/47/15/77/565471577.db2.gz JWYLZMJXUVQCTA-TZMCWYRMSA-N 0 1 383.926 2.788 20 0 GFADMN O=C(Cc1ccc(F)c(Br)c1)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000622610081 565472227 /nfs/dbraw/zinc/47/22/27/565472227.db2.gz PAWMVVVUINNLPN-OAHLLOKOSA-N 0 1 390.216 2.550 20 0 GFADMN CCN1C[C@H](C)N(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[C@@H]1C ZINC000622835411 565476373 /nfs/dbraw/zinc/47/63/73/565476373.db2.gz RLFFVENWUJPVFO-CLROSIBMSA-N 0 1 396.329 2.863 20 0 GFADMN CN1CCN(c2ccc(-c3noc(-c4occc4Br)n3)nc2)CC1 ZINC000664941642 565485693 /nfs/dbraw/zinc/48/56/93/565485693.db2.gz UBSOJCJOOIMVQV-UHFFFAOYSA-N 0 1 390.241 2.906 20 0 GFADMN CC1(C)CN(C(=O)NCCN2CCCOCC2)c2cc(Br)ccc21 ZINC000664957739 565486904 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ZINC000677733765 565982081 /nfs/dbraw/zinc/98/20/81/565982081.db2.gz RZPVDTQOTOPYQO-LLVKDONJSA-N 0 1 393.265 2.624 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H]1CCCN(C)C1 ZINC000677869270 565985256 /nfs/dbraw/zinc/98/52/56/565985256.db2.gz WAYKHVAMHLLJSF-AWEZNQCLSA-N 0 1 377.286 2.767 20 0 GFADMN O=C(COc1ccccc1Br)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000677859601 565985647 /nfs/dbraw/zinc/98/56/47/565985647.db2.gz BZIDKSKINITJPZ-HNNXBMFYSA-N 0 1 397.313 2.541 20 0 GFADMN CC[C@@H](NCc1nnnn1-c1ccccc1Br)[C@H]1CCCCO1 ZINC000653878265 565986382 /nfs/dbraw/zinc/98/63/82/565986382.db2.gz YFNCJTDPPHGTCK-UKRRQHHQSA-N 0 1 380.290 2.862 20 0 GFADMN CN(C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[C@H]1CCCN(C)C1 ZINC000607687071 565987396 /nfs/dbraw/zinc/98/73/96/565987396.db2.gz AGMVHEVJHYYJCA-UGSOOPFHSA-N 0 1 379.913 2.821 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H](CCO)C1 ZINC000607733040 565989314 /nfs/dbraw/zinc/98/93/14/565989314.db2.gz HHUAMUJEHYMJBL-GFCCVEGCSA-N 0 1 375.332 2.563 20 0 GFADMN 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377.286 2.654 20 0 GFADMN O=S(=O)(Nc1cc(F)ccc1O)c1ccc(I)cc1 ZINC000610725545 566094883 /nfs/dbraw/zinc/09/48/83/566094883.db2.gz HGMBJBVQLHUEOU-UHFFFAOYSA-N 0 1 393.177 2.937 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc2cncc(Br)c2n1 ZINC000633334708 566097049 /nfs/dbraw/zinc/09/70/49/566097049.db2.gz VBGYPLKDGSNLOH-CYBMUJFWSA-N 0 1 377.286 2.949 20 0 GFADMN Cc1nc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)c(Br)s1 ZINC000633527639 566107677 /nfs/dbraw/zinc/10/76/77/566107677.db2.gz AUVPGQSYURAAPH-UHFFFAOYSA-N 0 1 397.298 2.641 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1csc(Br)c1 ZINC000633532688 566108366 /nfs/dbraw/zinc/10/83/66/566108366.db2.gz WDNOZVJBNWSOBP-AWEZNQCLSA-N 0 1 392.282 2.755 20 0 GFADMN O=C(c1cscc1Br)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633527702 566108381 /nfs/dbraw/zinc/10/83/81/566108381.db2.gz DDWCTVMLVOINLN-UHFFFAOYSA-N 0 1 382.283 2.938 20 0 GFADMN O=c1cc(CN2CCOCC3(CCCC3)C2)nc2ccc(Br)cn12 ZINC000681475932 566110336 /nfs/dbraw/zinc/11/03/36/566110336.db2.gz KRMDNSLFNOKYRI-UHFFFAOYSA-N 0 1 392.297 2.850 20 0 GFADMN O=C(Cc1ccc(F)cc1Br)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000681622245 566118943 /nfs/dbraw/zinc/11/89/43/566118943.db2.gz ROIYEHHDCLYETJ-OAHLLOKOSA-N 0 1 390.216 2.550 20 0 GFADMN CC(C)CN1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681949613 566133582 /nfs/dbraw/zinc/13/35/82/566133582.db2.gz NOJOEJIGSVAXHU-UHFFFAOYSA-N 0 1 377.286 2.806 20 0 GFADMN COC(=O)c1cc(NC(=O)N2CCCN(C)CC2)c(Br)cc1F ZINC000611532778 566134618 /nfs/dbraw/zinc/13/46/18/566134618.db2.gz QDUABSLDTKZDJD-UHFFFAOYSA-N 0 1 388.237 2.544 20 0 GFADMN O=C(CCc1ccc(Br)cc1)NCc1n[nH]c(C2CCOCC2)n1 ZINC000634008808 566137322 /nfs/dbraw/zinc/13/73/22/566137322.db2.gz MDRRGFRUKKYJBQ-UHFFFAOYSA-N 0 1 393.285 2.710 20 0 GFADMN CCO[C@H]1C[C@@](CO)(NCc2cn3cc(Br)ccc3n2)C1(C)C ZINC000682043361 566141751 /nfs/dbraw/zinc/14/17/51/566141751.db2.gz PUBPGEXYTQVFMI-YOEHRIQHSA-N 0 1 382.302 2.753 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(CCO)(CCO)CC1 ZINC000634109100 566143771 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O=S(=O)(N[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccccc1O ZINC000656893930 566177888 /nfs/dbraw/zinc/17/78/88/566177888.db2.gz HDNCCNLHDCSNTE-ZDUSSCGKSA-N 0 1 397.294 2.712 20 0 GFADMN CCCOc1ccc(Br)cc1S(=O)(=O)NCc1cc(C)[nH]n1 ZINC000656905225 566180064 /nfs/dbraw/zinc/18/00/64/566180064.db2.gz BXPUAMJTBLOFEF-UHFFFAOYSA-N 0 1 388.287 2.748 20 0 GFADMN CN1CC[C@@H](NS(=O)(=O)c2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000656942598 566189941 /nfs/dbraw/zinc/18/99/41/566189941.db2.gz HWWXNEWSERAYIR-PBHICJAKSA-N 0 1 384.860 2.908 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000656947850 566191276 /nfs/dbraw/zinc/19/12/76/566191276.db2.gz KZMJNFLHSVSUFL-JQWIXIFHSA-N 0 1 380.436 2.780 20 0 GFADMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cccc(Br)c1F ZINC000683262480 566192854 /nfs/dbraw/zinc/19/28/54/566192854.db2.gz UJUDCFVWHXQAIE-ZDUSSCGKSA-N 0 1 376.189 2.621 20 0 GFADMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ncccc2Br)n[nH]1 ZINC000656973584 566197151 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c1ccc(C[NH+]2CCC(Nc3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000738433853 598935354 /nfs/dbraw/zinc/93/53/54/598935354.db2.gz XGPRTPZUMDVOCD-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN c1ccc(C[NH+]2CCC(Nc3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000738433853 598935357 /nfs/dbraw/zinc/93/53/57/598935357.db2.gz XGPRTPZUMDVOCD-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN CC(C)[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[nH]n1)N1CCCCC1 ZINC000735692353 599015912 /nfs/dbraw/zinc/01/59/12/599015912.db2.gz SQIFVUGLEFOUDA-GOSISDBHSA-N 0 1 382.468 2.673 20 0 GFADMN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000736822319 599067915 /nfs/dbraw/zinc/06/79/15/599067915.db2.gz LNEXYSULZSQYBI-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN C/C(=C\C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)C ZINC000819765424 599134694 /nfs/dbraw/zinc/13/46/94/599134694.db2.gz PXHJAKPDPOACQK-JQIJEIRASA-N 0 1 382.512 2.893 20 0 GFADMN C[C@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1c1ccccc1 ZINC000736289256 599146891 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2.782 20 0 GFADMN COc1ccccc1-c1nc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])cs1 ZINC000818626390 597454061 /nfs/dbraw/zinc/45/40/61/597454061.db2.gz BBWNZEMGBQGEKK-LBPRGKRZSA-N 0 1 376.434 2.525 20 0 GFADMN COc1ccccc1-c1nc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])cs1 ZINC000818626390 597454065 /nfs/dbraw/zinc/45/40/65/597454065.db2.gz BBWNZEMGBQGEKK-LBPRGKRZSA-N 0 1 376.434 2.525 20 0 GFADMN COc1ccc(-c2nc(C(=O)OC[C@@H]3CCC[N@@H+]3CC(=O)[O-])cs2)cc1 ZINC000820805146 598063313 /nfs/dbraw/zinc/06/33/13/598063313.db2.gz JZNPECKSWHCRSI-ZDUSSCGKSA-N 0 1 376.434 2.525 20 0 GFADMN COc1ccc(-c2nc(C(=O)OC[C@@H]3CCC[N@H+]3CC(=O)[O-])cs2)cc1 ZINC000820805146 598063317 /nfs/dbraw/zinc/06/33/17/598063317.db2.gz JZNPECKSWHCRSI-ZDUSSCGKSA-N 0 1 376.434 2.525 20 0 GFADMN CC(C)Cc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000735850949 598249552 /nfs/dbraw/zinc/24/95/52/598249552.db2.gz WNRKRPSCEFYZHI-UHFFFAOYSA-N 0 1 377.496 2.782 20 0 GFADMN Fc1ccc(C2([NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)CCCC2)cc1 ZINC000737647999 598356301 /nfs/dbraw/zinc/35/63/01/598356301.db2.gz GIJFVWJCYOFDQY-UHFFFAOYSA-N 0 1 378.415 2.608 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000737511783 598368814 /nfs/dbraw/zinc/36/88/14/598368814.db2.gz ORRQHBYTIBLSIN-HNNXBMFYSA-N 0 1 387.875 2.778 20 0 GFADMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073478 598453523 /nfs/dbraw/zinc/45/35/23/598453523.db2.gz RSJCHJLLUNGZTA-NWDGAFQWSA-N 0 1 384.415 2.692 20 0 GFADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738003973 598458443 /nfs/dbraw/zinc/45/84/43/598458443.db2.gz YSWXPIPEGTZMQI-IBGZPJMESA-N 0 1 396.414 2.657 20 0 GFADMN CC(C)CNC(=O)c1cccc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000735838602 598459847 /nfs/dbraw/zinc/45/98/47/598459847.db2.gz IBACAFXGQVGNHK-UHFFFAOYSA-N 0 1 378.480 2.885 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2cc3c(c(Cl)c2)OCO3)c2ccccc12 ZINC000738373005 598504550 /nfs/dbraw/zinc/50/45/50/598504550.db2.gz ZRQQFRBGMRFZSW-UHFFFAOYSA-N 0 1 381.779 2.612 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2csc(-c3ccco3)n2)c2ccccc12 ZINC000738372383 598504602 /nfs/dbraw/zinc/50/46/02/598504602.db2.gz OYBJSYOEAFGWQG-UHFFFAOYSA-N 0 1 376.401 2.946 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000738371418 598504852 /nfs/dbraw/zinc/50/48/52/598504852.db2.gz JXZVWZGGWNYTMA-UHFFFAOYSA-N 0 1 382.221 2.992 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)cc1-c1nn[nH]n1 ZINC000737187757 598541910 /nfs/dbraw/zinc/54/19/10/598541910.db2.gz UDZLWMOUCHYZNA-LBPRGKRZSA-N 0 1 398.492 2.667 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(N(C)C(C)C)c2)cc1-c1nn[nH]n1 ZINC000737186639 598613897 /nfs/dbraw/zinc/61/38/97/598613897.db2.gz KJNVEAWOJNRWAI-UHFFFAOYSA-N 0 1 399.480 2.786 20 0 GFADMN CCN(Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736558641 598621829 /nfs/dbraw/zinc/62/18/29/598621829.db2.gz OPOFTAOEOHKUPH-SFHVURJKSA-N 0 1 380.427 2.633 20 0 GFADMN COC(=O)CCN(Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)c(F)c1 ZINC000736912497 598705118 /nfs/dbraw/zinc/70/51/18/598705118.db2.gz DLUPKNKMQNSTDB-UHFFFAOYSA-N 0 1 387.390 2.710 20 0 GFADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOc1ccccc1-c1nn[nH]n1 ZINC000737196395 598724624 /nfs/dbraw/zinc/72/46/24/598724624.db2.gz GWDJKMRVPLZTTF-UHFFFAOYSA-N 0 1 390.403 2.801 20 0 GFADMN Fc1ccccc1OCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737667761 598766810 /nfs/dbraw/zinc/76/68/10/598766810.db2.gz BTGUNSSZJHQSCK-UHFFFAOYSA-N 0 1 383.427 2.928 20 0 GFADMN C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357354 599298828 /nfs/dbraw/zinc/29/88/28/599298828.db2.gz GPXDLBLXNAVTAL-IUODEOHRSA-N 0 1 385.497 2.591 20 0 GFADMN Cc1cc(N2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C(C)C)n1 ZINC000737270066 599307966 /nfs/dbraw/zinc/30/79/66/599307966.db2.gz ABZBBFDVWKSVSM-INIZCTEOSA-N 0 1 392.511 2.972 20 0 GFADMN COc1ccc(CN2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000737091287 599308066 /nfs/dbraw/zinc/30/80/66/599308066.db2.gz SGFPTAXDWZQWOO-OAHLLOKOSA-N 0 1 396.470 2.893 20 0 GFADMN c1cn(CN2CCC(OCC3CC3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823743104 599330822 /nfs/dbraw/zinc/33/08/22/599330822.db2.gz SSCMIJPMZSOOOO-UHFFFAOYSA-N 0 1 379.468 2.579 20 0 GFADMN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000819834644 599390869 /nfs/dbraw/zinc/39/08/69/599390869.db2.gz QAEFJHHXHBBJPG-DGCLKSJQSA-N 0 1 380.452 2.936 20 0 GFADMN c1cc(-c2nn[n-]n2)oc1C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000823767529 599397471 /nfs/dbraw/zinc/39/74/71/599397471.db2.gz SPDDEYXLVCNVGJ-UHFFFAOYSA-N 0 1 381.436 2.833 20 0 GFADMN Fc1ccc2ccc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)nc2c1 ZINC000822786250 599466500 /nfs/dbraw/zinc/46/65/00/599466500.db2.gz GJJWVEKQOFTAMU-UHFFFAOYSA-N 0 1 389.438 2.876 20 0 GFADMN Brc1csc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735374912 599483977 /nfs/dbraw/zinc/48/39/77/599483977.db2.gz FNVMOPVATMFEET-UHFFFAOYSA-N 0 1 390.270 2.628 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000738341058 599561295 /nfs/dbraw/zinc/56/12/95/599561295.db2.gz DAJUKLRAQLULQB-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000820259585 599575384 /nfs/dbraw/zinc/57/53/84/599575384.db2.gz AEKYICICEAVQBX-HNNXBMFYSA-N 0 1 381.459 2.628 20 0 GFADMN COc1ccccc1[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737148710 599592071 /nfs/dbraw/zinc/59/20/71/599592071.db2.gz USFSXWQEEKSNLG-GJZGRUSLSA-N 0 1 392.463 2.692 20 0 GFADMN COC(=O)c1ccc2c(c1)nc(C[N@H+](CCC(=O)[O-])Cc1ccccc1)[nH]c2=O ZINC000737701807 599713334 /nfs/dbraw/zinc/71/33/34/599713334.db2.gz IEUBZIXPFKJEJM-UHFFFAOYSA-N 0 1 395.415 2.599 20 0 GFADMN COC(=O)c1ccc2c(c1)nc(C[N@@H+](CCC(=O)[O-])Cc1ccccc1)[nH]c2=O ZINC000737701807 599713335 /nfs/dbraw/zinc/71/33/35/599713335.db2.gz IEUBZIXPFKJEJM-UHFFFAOYSA-N 0 1 395.415 2.599 20 0 GFADMN O=C([O-])c1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000739274342 599717367 /nfs/dbraw/zinc/71/73/67/599717367.db2.gz PZAFYXPEQYNJJG-UHFFFAOYSA-N 0 1 399.422 2.813 20 0 GFADMN C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000184961050 599728514 /nfs/dbraw/zinc/72/85/14/599728514.db2.gz ZBEYGDGZCLXQIA-GFCCVEGCSA-N 0 1 388.917 2.827 20 0 GFADMN Cc1ccc(NC(=O)CCSCC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000738621287 599751775 /nfs/dbraw/zinc/75/17/75/599751775.db2.gz ASDBUNBGVFVBHM-UHFFFAOYSA-N 0 1 393.509 2.566 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000740202623 599763433 /nfs/dbraw/zinc/76/34/33/599763433.db2.gz IUNZBCCYADRCSO-UHFFFAOYSA-N 0 1 384.480 2.807 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000740202623 599763435 /nfs/dbraw/zinc/76/34/35/599763435.db2.gz IUNZBCCYADRCSO-UHFFFAOYSA-N 0 1 384.480 2.807 20 0 GFADMN CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737069202 599773327 /nfs/dbraw/zinc/77/33/27/599773327.db2.gz ZXBNTYDAKMJIRG-ZBFHGGJFSA-N 0 1 392.477 2.824 20 0 GFADMN C[C@@H]1C(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000736748533 599776722 /nfs/dbraw/zinc/77/67/22/599776722.db2.gz UFJASLIOJZAXTN-MRXNPFEDSA-N 0 1 381.432 2.778 20 0 GFADMN C[C@@H]1C(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000736748533 599776723 /nfs/dbraw/zinc/77/67/23/599776723.db2.gz UFJASLIOJZAXTN-MRXNPFEDSA-N 0 1 381.432 2.778 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739470167 599782933 /nfs/dbraw/zinc/78/29/33/599782933.db2.gz BLOWYZKFAHIQFG-KRWDZBQOSA-N 0 1 397.410 2.727 20 0 GFADMN O=C([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000739470167 599782934 /nfs/dbraw/zinc/78/29/34/599782934.db2.gz BLOWYZKFAHIQFG-KRWDZBQOSA-N 0 1 397.410 2.727 20 0 GFADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000737650915 599874385 /nfs/dbraw/zinc/87/43/85/599874385.db2.gz OUYRTZJXUQBBCU-GFCCVEGCSA-N 0 1 380.466 2.744 20 0 GFADMN CN1CC[N@@H+](CCCNC(=O)c2cccc(NC(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000737528333 599930934 /nfs/dbraw/zinc/93/09/34/599930934.db2.gz FJLOBLRMADJVRC-HXUWFJFHSA-N 0 1 396.491 2.885 20 0 GFADMN C[N@@H+]1CCN(CCCNC(=O)c2cccc(NC(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000737528333 599930936 /nfs/dbraw/zinc/93/09/36/599930936.db2.gz FJLOBLRMADJVRC-HXUWFJFHSA-N 0 1 396.491 2.885 20 0 GFADMN C[N@H+]1CCN(CCCNC(=O)c2cccc(NC(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000737528333 599930937 /nfs/dbraw/zinc/93/09/37/599930937.db2.gz FJLOBLRMADJVRC-HXUWFJFHSA-N 0 1 396.491 2.885 20 0 GFADMN CCOc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000737185542 599932358 /nfs/dbraw/zinc/93/23/58/599932358.db2.gz GFQXBNFCMFBVFS-HNNXBMFYSA-N 0 1 392.496 2.789 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931195 599934875 /nfs/dbraw/zinc/93/48/75/599934875.db2.gz CNZMNYKNGFUQND-HXPMCKFVSA-N 0 1 393.871 2.640 20 0 GFADMN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931195 599934877 /nfs/dbraw/zinc/93/48/77/599934877.db2.gz CNZMNYKNGFUQND-HXPMCKFVSA-N 0 1 393.871 2.640 20 0 GFADMN CC[C@H](C)NC(=O)CN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736885331 599947350 /nfs/dbraw/zinc/94/73/50/599947350.db2.gz AIOAVTRSCOWPFR-AWEZNQCLSA-N 0 1 389.521 2.632 20 0 GFADMN CCN(CC)C(=O)CN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000737079667 599947539 /nfs/dbraw/zinc/94/75/39/599947539.db2.gz KQYWYIRNMUUFBD-UHFFFAOYSA-N 0 1 389.521 2.586 20 0 GFADMN C[C@H](C[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC1)C(=O)[O-] ZINC000736578298 599951200 /nfs/dbraw/zinc/95/12/00/599951200.db2.gz LMNDIVZOEFIVOC-GFCCVEGCSA-N 0 1 383.286 2.593 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615423 599957458 /nfs/dbraw/zinc/95/74/58/599957458.db2.gz NYPTZWDAZDNBIA-HOTGVXAUSA-N 0 1 399.495 2.600 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1C(=O)[O-] ZINC000738615423 599957460 /nfs/dbraw/zinc/95/74/60/599957460.db2.gz NYPTZWDAZDNBIA-HOTGVXAUSA-N 0 1 399.495 2.600 20 0 GFADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000739561361 599962690 /nfs/dbraw/zinc/96/26/90/599962690.db2.gz ZCTOPYPXJHFSMN-XYPHTWIQSA-N 0 1 393.447 2.739 20 0 GFADMN CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000297111782 599966258 /nfs/dbraw/zinc/96/62/58/599966258.db2.gz XEKUDUGSYWOJNV-UHFFFAOYSA-N 0 1 376.888 2.652 20 0 GFADMN CNC(=O)c1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000629360705 599976174 /nfs/dbraw/zinc/97/61/74/599976174.db2.gz YAUGYKFFYXISLY-SFHVURJKSA-N 0 1 398.459 2.638 20 0 GFADMN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(CC(=O)[O-])cc3)C2)nc(C)[nH+]1 ZINC000738408879 599981427 /nfs/dbraw/zinc/98/14/27/599981427.db2.gz PMGQNUIXOGZBTB-KRWDZBQOSA-N 0 1 383.452 2.511 20 0 GFADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000130496393 600004387 /nfs/dbraw/zinc/00/43/87/600004387.db2.gz RMPZPRODMWOOPG-CQSZACIVSA-N 0 1 394.880 2.720 20 0 GFADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000737113569 600032369 /nfs/dbraw/zinc/03/23/69/600032369.db2.gz DCCUZMBBMGVQBZ-ACBHZAAOSA-N 0 1 388.512 2.721 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)c2)CCO1 ZINC000736815743 600065394 /nfs/dbraw/zinc/06/53/94/600065394.db2.gz WXRXPZCNRQSRTL-QGZVFWFLSA-N 0 1 396.487 2.855 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)c2)CCO1 ZINC000736815743 600065397 /nfs/dbraw/zinc/06/53/97/600065397.db2.gz WXRXPZCNRQSRTL-QGZVFWFLSA-N 0 1 396.487 2.855 20 0 GFADMN COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000738017421 600082381 /nfs/dbraw/zinc/08/23/81/600082381.db2.gz JRTZFAUIMUXWDJ-UHFFFAOYSA-N 0 1 376.403 2.989 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(C)c1C(=O)[O-] 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0 1 394.537 2.825 20 0 GFADMN CCOCC[N@H+]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C[C@H]1CC ZINC000737176417 600257930 /nfs/dbraw/zinc/25/79/30/600257930.db2.gz LPPGUVZXQUWOOP-JKSUJKDBSA-N 0 1 394.537 2.825 20 0 GFADMN CC[C@@](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736906576 600258107 /nfs/dbraw/zinc/25/81/07/600258107.db2.gz LOGCNHRKLQUIET-AVRDEDQJSA-N 0 1 381.476 2.800 20 0 GFADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000737506371 600326737 /nfs/dbraw/zinc/32/67/37/600326737.db2.gz WCOHDEXMOSFLGW-KXBFYZLASA-N 0 1 381.432 2.804 20 0 GFADMN O=C([O-])CC[N@H+](CC(=O)NCc1ccccc1F)Cc1ccc(F)c(F)c1 ZINC000739719283 600328203 /nfs/dbraw/zinc/32/82/03/600328203.db2.gz TWQGRBZZDNVBIE-UHFFFAOYSA-N 0 1 380.366 2.697 20 0 GFADMN O=C([O-])CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(F)c(F)c1 ZINC000739719283 600328205 /nfs/dbraw/zinc/32/82/05/600328205.db2.gz TWQGRBZZDNVBIE-UHFFFAOYSA-N 0 1 380.366 2.697 20 0 GFADMN 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GFADMN CC1(C)CN(C2(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCCCC2)CCO1 ZINC000820601940 606417990 /nfs/dbraw/zinc/41/79/90/606417990.db2.gz VLSHWVUWSGFBRV-UHFFFAOYSA-N 0 1 390.557 2.832 20 0 GFADMN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821188868 606538260 /nfs/dbraw/zinc/53/82/60/606538260.db2.gz DKQMYZKLOAVLJB-UHFFFAOYSA-N 0 1 384.509 2.912 20 0 GFADMN CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821188868 606538262 /nfs/dbraw/zinc/53/82/62/606538262.db2.gz DKQMYZKLOAVLJB-UHFFFAOYSA-N 0 1 384.509 2.912 20 0 GFADMN C[C@H](C(=O)OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)N1[C@H](C)CC[C@@H]1C ZINC000820683450 606560180 /nfs/dbraw/zinc/56/01/80/606560180.db2.gz BHTFXBMRHKEATJ-GRYCIOLGSA-N 0 1 395.410 2.773 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(c1ccccc1)c1ccccc1 ZINC000821600324 606699812 /nfs/dbraw/zinc/69/98/12/606699812.db2.gz HVOJPCKCABVKSF-UHFFFAOYSA-N 0 1 388.479 2.826 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(c1ccccc1)c1ccccc1 ZINC000821600324 606699814 /nfs/dbraw/zinc/69/98/14/606699814.db2.gz HVOJPCKCABVKSF-UHFFFAOYSA-N 0 1 388.479 2.826 20 0 GFADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC000821600324 606699816 /nfs/dbraw/zinc/69/98/16/606699816.db2.gz HVOJPCKCABVKSF-UHFFFAOYSA-N 0 1 388.479 2.826 20 0 GFADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC000821600324 606699818 /nfs/dbraw/zinc/69/98/18/606699818.db2.gz HVOJPCKCABVKSF-UHFFFAOYSA-N 0 1 388.479 2.826 20 0 GFADMN Cc1cc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C(C)C ZINC000822211933 606701011 /nfs/dbraw/zinc/70/10/11/606701011.db2.gz ULXSPWXXKLDIEV-UHFFFAOYSA-N 0 1 398.515 2.547 20 0 GFADMN Cc1cc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C(C)C ZINC000822211933 606701012 /nfs/dbraw/zinc/70/10/12/606701012.db2.gz ULXSPWXXKLDIEV-UHFFFAOYSA-N 0 1 398.515 2.547 20 0 GFADMN Cc1cc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C(C)C ZINC000822211933 606701013 /nfs/dbraw/zinc/70/10/13/606701013.db2.gz ULXSPWXXKLDIEV-UHFFFAOYSA-N 0 1 398.515 2.547 20 0 GFADMN Cc1cc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C(C)C ZINC000822211933 606701014 /nfs/dbraw/zinc/70/10/14/606701014.db2.gz ULXSPWXXKLDIEV-UHFFFAOYSA-N 0 1 398.515 2.547 20 0 GFADMN CCCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCC1 ZINC000821042589 606855535 /nfs/dbraw/zinc/85/55/35/606855535.db2.gz FPLPQNBYHNDBKD-ZDUSSCGKSA-N 0 1 376.486 2.778 20 0 GFADMN C[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820664502 606876565 /nfs/dbraw/zinc/87/65/65/606876565.db2.gz AWVFKLDHJFCHJI-GOEBONIOSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820664502 606876566 /nfs/dbraw/zinc/87/65/66/606876566.db2.gz AWVFKLDHJFCHJI-GOEBONIOSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664502 606876567 /nfs/dbraw/zinc/87/65/67/606876567.db2.gz AWVFKLDHJFCHJI-GOEBONIOSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820664502 606876568 /nfs/dbraw/zinc/87/65/68/606876568.db2.gz AWVFKLDHJFCHJI-GOEBONIOSA-N 0 1 386.463 2.885 20 0 GFADMN O=S(=O)(NC1(c2ccccc2)CCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823567614 606885428 /nfs/dbraw/zinc/88/54/28/606885428.db2.gz UARXOKFLCAGWLN-UHFFFAOYSA-N 0 1 391.403 2.503 20 0 GFADMN C[C@H](CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820241145 606887828 /nfs/dbraw/zinc/88/78/28/606887828.db2.gz FBVLFORLMCOIAQ-LLVKDONJSA-N 0 1 393.419 2.617 20 0 GFADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804304 606897070 /nfs/dbraw/zinc/89/70/70/606897070.db2.gz QAOZFHXRINFBPQ-IONDEXAJSA-N 0 1 379.464 2.751 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@@H]32)cc1 ZINC000823780979 607032282 /nfs/dbraw/zinc/03/22/82/607032282.db2.gz XZQOIKUQSXKOSB-HKUYNNGSSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4cccc(-c5nnn[n-]5)n4)CC[C@@H]32)cc1 ZINC000823780979 607032284 /nfs/dbraw/zinc/03/22/84/607032284.db2.gz XZQOIKUQSXKOSB-HKUYNNGSSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@@H]32)cc1 ZINC000823780979 607032286 /nfs/dbraw/zinc/03/22/86/607032286.db2.gz XZQOIKUQSXKOSB-HKUYNNGSSA-N 0 1 375.480 2.753 20 0 GFADMN c1ccc(C[N@H+]2CCC[C@H]3CN(c4cccc(-c5nn[n-]n5)n4)CC[C@@H]32)cc1 ZINC000823780979 607032287 /nfs/dbraw/zinc/03/22/87/607032287.db2.gz XZQOIKUQSXKOSB-HKUYNNGSSA-N 0 1 375.480 2.753 20 0 GFADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820300982 607078019 /nfs/dbraw/zinc/07/80/19/607078019.db2.gz UDFPMWVBQBGOSX-ZDUSSCGKSA-N 0 1 391.435 2.685 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)n[nH]1 ZINC000822199999 607155010 /nfs/dbraw/zinc/15/50/10/607155010.db2.gz QHMHTOUDPBEECT-AWEZNQCLSA-N 0 1 396.499 2.697 20 0 GFADMN C[C@@H]1C[NH+](CCCCNc2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H](C)O1 ZINC000820761622 607173699 /nfs/dbraw/zinc/17/36/99/607173699.db2.gz YSOLDDVPFRELIG-HUUCEWRRSA-N 0 1 381.484 2.716 20 0 GFADMN FC(F)(F)c1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822724083 607174757 /nfs/dbraw/zinc/17/47/57/607174757.db2.gz YLSNLCBJUGZSLL-JKSUJKDBSA-N 0 1 396.417 2.941 20 0 GFADMN CC1(C)CCC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000824803820 607881728 /nfs/dbraw/zinc/88/17/28/607881728.db2.gz XOCMIPKZUSGIPB-AWEZNQCLSA-N 0 1 399.499 2.597 20 0 GFADMN O=c1c(-c2nn[nH]n2)cccn1Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000826501573 607890820 /nfs/dbraw/zinc/89/08/20/607890820.db2.gz WLRXTHKDXOWARV-UHFFFAOYSA-N 0 1 388.309 2.751 20 0 GFADMN Cc1c(CNCc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)cnn1C ZINC000826236220 607977304 /nfs/dbraw/zinc/97/73/04/607977304.db2.gz CSWPSFQAGCMZQE-UHFFFAOYSA-N 0 1 389.463 2.777 20 0 GFADMN Cc1cccc([C@@H]2CCN([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)c1 ZINC000826297948 608128224 /nfs/dbraw/zinc/12/82/24/608128224.db2.gz XRVSDDBUFMBNFS-WBVHZDCISA-N 0 1 394.504 2.831 20 0 GFADMN Fc1ccc(-c2n[nH]c(CNc3ccc4cc(-c5nn[nH]n5)ccc4n3)n2)cc1 ZINC000826372885 608227327 /nfs/dbraw/zinc/22/73/27/608227327.db2.gz PUQNISQPAZZFPT-UHFFFAOYSA-N 0 1 387.382 2.951 20 0 GFADMN Fc1ccc(-c2nc(CNc3ccc4cc(-c5nn[nH]n5)ccc4n3)n[nH]2)cc1 ZINC000826372885 608227329 /nfs/dbraw/zinc/22/73/29/608227329.db2.gz PUQNISQPAZZFPT-UHFFFAOYSA-N 0 1 387.382 2.951 20 0 GFADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824976053 608266221 /nfs/dbraw/zinc/26/62/21/608266221.db2.gz MFMAVQVQFQROOC-JKSUJKDBSA-N 0 1 391.479 2.993 20 0 GFADMN COCCn1cc(CNCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1 ZINC000826163617 608310420 /nfs/dbraw/zinc/31/04/20/608310420.db2.gz CIKKVAAAMFFSCE-UHFFFAOYSA-N 0 1 389.463 2.666 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332463 608317237 /nfs/dbraw/zinc/31/72/37/608317237.db2.gz VJUSUYZNBISRJC-DLBZAZTESA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826332463 608317239 /nfs/dbraw/zinc/31/72/39/608317239.db2.gz VJUSUYZNBISRJC-DLBZAZTESA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332463 608317241 /nfs/dbraw/zinc/31/72/41/608317241.db2.gz VJUSUYZNBISRJC-DLBZAZTESA-N 0 1 393.495 2.609 20 0 GFADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826332463 608317243 /nfs/dbraw/zinc/31/72/43/608317243.db2.gz VJUSUYZNBISRJC-DLBZAZTESA-N 0 1 393.495 2.609 20 0 GFADMN COCC1(C)CC[NH+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000826152899 608328249 /nfs/dbraw/zinc/32/82/49/608328249.db2.gz SIPXNMDXGHAXHA-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN COCC1(C)CC[NH+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000826152899 608328251 /nfs/dbraw/zinc/32/82/51/608328251.db2.gz SIPXNMDXGHAXHA-UHFFFAOYSA-N 0 1 381.484 2.609 20 0 GFADMN CCc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825704650 608467879 /nfs/dbraw/zinc/46/78/79/608467879.db2.gz LXIWRADOEAPYFU-GJZGRUSLSA-N 0 1 378.480 2.957 20 0 GFADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000826184154 608475537 /nfs/dbraw/zinc/47/55/37/608475537.db2.gz MSWUVEBXPMUKOE-CYBMUJFWSA-N 0 1 394.435 2.683 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826208613 608486793 /nfs/dbraw/zinc/48/67/93/608486793.db2.gz RZYFZASZOGHKOE-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN C[C@@H](NC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1Cl ZINC000824568581 608552991 /nfs/dbraw/zinc/55/29/91/608552991.db2.gz ASOCOGUIKVZJLY-YPMHNXCESA-N 0 1 391.834 2.750 20 0 GFADMN Cc1nn(C)c(N(C)C)c1CN(Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826334258 608568860 /nfs/dbraw/zinc/56/88/60/608568860.db2.gz OAVTZPFNRGPZGA-UHFFFAOYSA-N 0 1 382.516 2.633 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826045371 608573371 /nfs/dbraw/zinc/57/33/71/608573371.db2.gz VQWYHRMWXPVMFW-UHFFFAOYSA-N 0 1 397.870 2.524 20 0 GFADMN Cc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccc1F ZINC000826266373 608590177 /nfs/dbraw/zinc/59/01/77/608590177.db2.gz MRJULGPIJQWNLZ-UHFFFAOYSA-N 0 1 383.431 2.502 20 0 GFADMN Cc1ccc(F)c(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826289204 608590435 /nfs/dbraw/zinc/59/04/35/608590435.db2.gz PIIYQKFHLJMFIS-UHFFFAOYSA-N 0 1 383.431 2.502 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824109106 608634813 /nfs/dbraw/zinc/63/48/13/608634813.db2.gz NEOCBPPVTROPOU-LBPRGKRZSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000824109106 608634814 /nfs/dbraw/zinc/63/48/14/608634814.db2.gz NEOCBPPVTROPOU-LBPRGKRZSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824109106 608634815 /nfs/dbraw/zinc/63/48/15/608634815.db2.gz NEOCBPPVTROPOU-LBPRGKRZSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000824109106 608634816 /nfs/dbraw/zinc/63/48/16/608634816.db2.gz NEOCBPPVTROPOU-LBPRGKRZSA-N 0 1 378.502 2.665 20 0 GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccccc1 ZINC000826435857 608661462 /nfs/dbraw/zinc/66/14/62/608661462.db2.gz ZNAZEXPEFQPXGE-AWEZNQCLSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccccc1 ZINC000826435857 608661463 /nfs/dbraw/zinc/66/14/63/608661463.db2.gz ZNAZEXPEFQPXGE-AWEZNQCLSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccccc1 ZINC000826435857 608661464 /nfs/dbraw/zinc/66/14/64/608661464.db2.gz ZNAZEXPEFQPXGE-AWEZNQCLSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccccc1 ZINC000826435857 608661465 /nfs/dbraw/zinc/66/14/65/608661465.db2.gz ZNAZEXPEFQPXGE-AWEZNQCLSA-N 0 1 382.493 2.570 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323562 608681188 /nfs/dbraw/zinc/68/11/88/608681188.db2.gz YHCRNUIPPSCPJZ-CYBMUJFWSA-N 0 1 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O=c1cc(CN[C@@H](CCO)c2cccs2)nc2ccc(Br)cn12 ZINC000754386108 655867143 /nfs/dbraw/zinc/86/71/43/655867143.db2.gz QOJBFEUNBYTDAW-ZDUSSCGKSA-N 0 1 394.294 2.732 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cnc(Br)c(OC)c2)n[nH]1 ZINC000754427297 655867590 /nfs/dbraw/zinc/86/75/90/655867590.db2.gz RPRBZWPMBJRCGI-RKDXNWHRSA-N 0 1 382.262 2.975 20 0 GFADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2sccc2S(=O)(=O)C(F)F)n[nH]1 ZINC000754715077 655871808 /nfs/dbraw/zinc/87/18/08/655871808.db2.gz YVXRRZRZCSTBIT-HTQZYQBOSA-N 0 1 392.453 2.867 20 0 GFADMN O=C(c1cccc(I)c1O)N1CCC[C@@H](n2ccnc2)C1 ZINC000755244858 655881424 /nfs/dbraw/zinc/88/14/24/655881424.db2.gz KCBWZKVXQSMMFK-LLVKDONJSA-N 0 1 397.216 2.671 20 0 GFADMN CC[C@H]1CN(C(=O)c2cccc(I)c2O)CCS1 ZINC000755431710 655883278 /nfs/dbraw/zinc/88/32/78/655883278.db2.gz NZQMSLFKYXGUAN-VIFPVBQESA-N 0 1 377.247 2.964 20 0 GFADMN CCC1(CNC(=O)c2cccc(I)c2O)CCOCC1 ZINC000755435945 655883337 /nfs/dbraw/zinc/88/33/37/655883337.db2.gz XCRDJHFMQXRIPO-UHFFFAOYSA-N 0 1 389.233 2.933 20 0 GFADMN CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(I)c1O ZINC000755518960 655884984 /nfs/dbraw/zinc/88/49/84/655884984.db2.gz DWHXMOZNNZFLMX-UWVGGRQHSA-N 0 1 377.222 2.524 20 0 GFADMN Cc1nc(COC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n[nH]1 ZINC000755745140 655888264 /nfs/dbraw/zinc/88/82/64/655888264.db2.gz WGGNWZPZQLZHPH-HNNXBMFYSA-N 0 1 385.251 2.537 20 0 GFADMN CC(C)OCCCCNC(=O)c1cccc(I)c1O ZINC000756204485 655896845 /nfs/dbraw/zinc/89/68/45/655896845.db2.gz ONAMVVHVGBEHDJ-UHFFFAOYSA-N 0 1 377.222 2.932 20 0 GFADMN Cc1nn(C)c(S(=O)(=O)Nc2cnc(Br)c(C)c2)c1C(F)F ZINC000840916574 661207014 /nfs/dbraw/zinc/20/70/14/661207014.db2.gz WEAWDDYOYITFFS-UHFFFAOYSA-N 0 1 395.229 2.933 20 0 GFADMN COc1cncc(S(=O)(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)c1 ZINC000840917925 661207743 /nfs/dbraw/zinc/20/77/43/661207743.db2.gz VWFBGGZELKSIKT-UHFFFAOYSA-N 0 1 375.372 2.976 20 0 GFADMN O=C(OCc1nnc(Cc2ccccc2Br)[nH]1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000760302215 655975187 /nfs/dbraw/zinc/97/51/87/655975187.db2.gz RSNAKZHZUYWKSV-HFBAOOFYSA-N 0 1 392.253 2.626 20 0 GFADMN O=C(OCc1n[nH]c(Cc2ccccc2Br)n1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000760302215 655975188 /nfs/dbraw/zinc/97/51/88/655975188.db2.gz RSNAKZHZUYWKSV-HFBAOOFYSA-N 0 1 392.253 2.626 20 0 GFADMN CCc1cc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)n[nH]1 ZINC000761269225 656006816 /nfs/dbraw/zinc/00/68/16/656006816.db2.gz UZUQXFVFRBESFB-INIZCTEOSA-N 0 1 377.242 2.702 20 0 GFADMN S=C(NC[C@@H]1CSCCN1Cc1ccccc1)NC[C@@H]1CCCCO1 ZINC000761506225 656017134 /nfs/dbraw/zinc/01/71/34/656017134.db2.gz WGCWMKBOADFZPU-MSOLQXFVSA-N 0 1 379.595 2.637 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000762257729 656037408 /nfs/dbraw/zinc/03/74/08/656037408.db2.gz DPQXVHBBYXLDHM-SECBINFHSA-N 0 1 383.545 2.983 20 0 GFADMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)s2)cc1 ZINC000763086049 656070890 /nfs/dbraw/zinc/07/08/90/656070890.db2.gz JNBJJCXXLPJFHZ-UHFFFAOYSA-N 0 1 383.447 2.902 20 0 GFADMN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@H](C3CC3)C2)C1=O 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/nfs/dbraw/zinc/57/40/54/662574054.db2.gz LPVKTTXFDOKLJK-JGVFFNPUSA-N 0 1 388.209 2.595 20 0 GFADMN Cc1noc(C2CCN(C(=O)[C@H](N)c3cccc(Br)c3)CC2)n1 ZINC000867942883 662588498 /nfs/dbraw/zinc/58/84/98/662588498.db2.gz XVQDTCMYHNUCFN-CQSZACIVSA-N 0 1 379.258 2.547 20 0 GFADMN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](N)c1cccc(Br)c1 ZINC000867941156 662588538 /nfs/dbraw/zinc/58/85/38/662588538.db2.gz CCWJHNFPCXPKEV-QLJPJBMISA-N 0 1 379.302 2.547 20 0 GFADMN O=C(c1cc(F)c(Br)cc1F)N1CCC(C2N=NC(=O)O2)CC1 ZINC000868063891 662593187 /nfs/dbraw/zinc/59/31/87/662593187.db2.gz HCQKOJVQKPIIGW-UHFFFAOYSA-N 0 1 388.168 2.836 20 0 GFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1cc(Cl)cc(Cl)c1F ZINC000868372788 662603568 /nfs/dbraw/zinc/60/35/68/662603568.db2.gz ZYYILQYODWCQAX-NSHDSACASA-N 0 1 377.291 2.568 20 0 GFADMN C[C@]1(CCNC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)CC1(Cl)Cl ZINC000868675100 662614354 /nfs/dbraw/zinc/61/43/54/662614354.db2.gz IWOAQZUHIYZNJY-NWDGAFQWSA-N 0 1 390.233 2.813 20 0 GFADMN O=C(NCc1ccc(Br)cn1)NC[C@H]1CCN1Cc1ccccc1 ZINC000868791627 662619437 /nfs/dbraw/zinc/61/94/37/662619437.db2.gz RHHXMUAWVFUBPK-QGZVFWFLSA-N 0 1 389.297 2.918 20 0 GFADMN CCN1CCN(CC(C)(C)NC(=O)/C(C)=C/c2ccc(Br)o2)CC1 ZINC000868794647 662619442 /nfs/dbraw/zinc/61/94/42/662619442.db2.gz BCZNECXJMGIYIH-WYMLVPIESA-N 0 1 398.345 2.978 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(Cl)c1 ZINC000869204865 662635203 /nfs/dbraw/zinc/63/52/03/662635203.db2.gz DPFVTIWXSQZTQW-BXKDBHETSA-N 0 1 378.778 2.646 20 0 GFADMN O=C([C@@H](O)c1c[nH]cn1)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000869386907 662644709 /nfs/dbraw/zinc/64/47/09/662644709.db2.gz AQOWWTCOBWCZGB-OCCSQVGLSA-N 0 1 382.283 2.599 20 0 GFADMN C[NH+](C)Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2sccc21 ZINC000870643616 662697356 /nfs/dbraw/zinc/69/73/56/662697356.db2.gz NACUXBHSWJPSFD-OAHLLOKOSA-N 0 1 378.519 2.735 20 0 GFADMN CC[C@H](C(=O)Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1)N(C)C ZINC000870889323 662705955 /nfs/dbraw/zinc/70/59/55/662705955.db2.gz GYLSLTKDVAYIJB-SWLSCSKDSA-N 0 1 384.318 2.546 20 0 GFADMN C[N@@H+](CCNS(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000871840754 662736821 /nfs/dbraw/zinc/73/68/21/662736821.db2.gz MNSSEOOUCLNOMR-UHFFFAOYSA-N 0 1 392.880 2.720 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1C(=O)[O-] ZINC000871895173 662740235 /nfs/dbraw/zinc/74/02/35/662740235.db2.gz LFWMNAVHAYHYQO-CYBMUJFWSA-N 0 1 388.917 2.842 20 0 GFADMN Cn1ncc(Br)c1CNC[C@@H](O)c1ccc(Br)cc1 ZINC000872220429 662758274 /nfs/dbraw/zinc/75/82/74/662758274.db2.gz OKNOPPGUPJFHST-CYBMUJFWSA-N 0 1 389.091 2.768 20 0 GFADMN CC(C)(C)OC(=O)CS(=O)(=O)CCNCc1ccc(C(F)(F)F)s1 ZINC000872248797 662759223 /nfs/dbraw/zinc/75/92/23/662759223.db2.gz WLYJEOKFKYPAGB-UHFFFAOYSA-N 0 1 387.445 2.613 20 0 GFADMN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000872431543 662765661 /nfs/dbraw/zinc/76/56/61/662765661.db2.gz LNJHCWWLMVRCGH-UPCLLVRISA-N 0 1 381.523 2.902 20 0 GFADMN C[C@H]1CN(CCCNS(=O)(=O)c2ccc(F)c(C(F)F)c2)CCCO1 ZINC000872478712 662771235 /nfs/dbraw/zinc/77/12/35/662771235.db2.gz AJWNCGFETPQNAP-LBPRGKRZSA-N 0 1 380.432 2.543 20 0 GFADMN COC(=O)c1ccoc1S(=O)(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872632903 662781561 /nfs/dbraw/zinc/78/15/61/662781561.db2.gz MDRLXCPMHCUABK-MRVPVSSYSA-N 0 1 378.328 2.520 20 0 GFADMN CC(C)(CCS(C)(=O)=O)NCc1cccc(F)c1I ZINC000873064618 662797983 /nfs/dbraw/zinc/79/79/83/662797983.db2.gz CSKAZYLKLJBHLA-UHFFFAOYSA-N 0 1 399.269 2.733 20 0 GFADMN CCn1ncc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1Br ZINC000873843332 662815959 /nfs/dbraw/zinc/81/59/59/662815959.db2.gz KXLNKFLNBDOULM-HNNXBMFYSA-N 0 1 395.301 2.707 20 0 GFADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(O)ccc3Br)C2)cn1 ZINC000874050654 662821378 /nfs/dbraw/zinc/82/13/78/662821378.db2.gz MXJFDDRNUDRUMX-YPMHNXCESA-N 0 1 394.269 2.579 20 0 GFADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(O)ccc3Br)C2)cn1 ZINC000874050653 662821405 /nfs/dbraw/zinc/82/14/05/662821405.db2.gz MXJFDDRNUDRUMX-WCQYABFASA-N 0 1 394.269 2.579 20 0 GFADMN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000874839044 662838137 /nfs/dbraw/zinc/83/81/37/662838137.db2.gz SULRHFSXIGJNPZ-HOTGVXAUSA-N 0 1 390.281 2.599 20 0 GFADMN O=C(NCCSCCC(F)(F)F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000876173902 662856181 /nfs/dbraw/zinc/85/61/81/662856181.db2.gz JXRWGOJHMCCZJK-AWEZNQCLSA-N 0 1 383.480 2.568 20 0 GFADMN COCCNC(=O)C1CCN(Cc2cc(Br)c(C)s2)CC1 ZINC000876559516 662862848 /nfs/dbraw/zinc/86/28/48/662862848.db2.gz BOWVWRHHASJCMO-UHFFFAOYSA-N 0 1 375.332 2.794 20 0 GFADMN Brc1cnc2c(CN3CCC(OC[C@@H]4CCCO4)CC3)cnn2c1 ZINC000876649943 662864272 /nfs/dbraw/zinc/86/42/72/662864272.db2.gz JZOIABODDSBEJI-INIZCTEOSA-N 0 1 395.301 2.652 20 0 GFADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876738685 662865723 /nfs/dbraw/zinc/86/57/23/662865723.db2.gz JWFVUGANOCTAGC-OWCLPIDISA-N 0 1 376.563 2.777 20 0 GFADMN COc1cccc([C@H](CNC(=O)[C@@H](N)c2cccc(Br)c2)OC)c1 ZINC000876990386 662869313 /nfs/dbraw/zinc/86/93/13/662869313.db2.gz ZXXHPUJLQFNXHI-IRXDYDNUSA-N 0 1 393.281 2.961 20 0 GFADMN COC[C@H](NC(=O)[C@H](N)c1cccc(OC)c1)c1cccc(Br)c1 ZINC000877263784 662872676 /nfs/dbraw/zinc/87/26/76/662872676.db2.gz YJYGIRMEDTUTGV-DLBZAZTESA-N 0 1 393.281 2.961 20 0 GFADMN COC(=O)CC[C@H]1CCCN(C(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000877380356 662875035 /nfs/dbraw/zinc/87/50/35/662875035.db2.gz HXTCRAUQGCAUNW-WBMJQRKESA-N 0 1 383.286 2.641 20 0 GFADMN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(C)c(Br)c2C)C1 ZINC000877481678 662876891 /nfs/dbraw/zinc/87/68/91/662876891.db2.gz PHUWWHUKJXCJGE-RDJZCZTQSA-N 0 1 386.330 2.912 20 0 GFADMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@H](C(C)(C)O)C1 ZINC000877836002 662885094 /nfs/dbraw/zinc/88/50/94/662885094.db2.gz KVKHKOYCHSDMPU-OCCSQVGLSA-N 0 1 399.329 2.555 20 0 GFADMN Cn1ncc(Br)c1CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000877932357 662886415 /nfs/dbraw/zinc/88/64/15/662886415.db2.gz DHFYMAXPOUTQHM-HNNXBMFYSA-N 0 1 395.301 2.662 20 0 GFADMN COCCCNC(=O)C1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877986925 662887658 /nfs/dbraw/zinc/88/76/58/662887658.db2.gz VOQKYOQUPJIWNA-KRWDZBQOSA-N 0 1 389.323 2.892 20 0 GFADMN O=C(CCc1cc(Br)c(Br)s1)NCc1nnc[nH]1 ZINC000878357909 662894439 /nfs/dbraw/zinc/89/44/39/662894439.db2.gz PZTAASPHADLXEO-UHFFFAOYSA-N 0 1 394.092 2.640 20 0 GFADMN OCC[C@H](NC[C@H](O)C[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000878395634 662895237 /nfs/dbraw/zinc/89/52/37/662895237.db2.gz GBZCWPAALZCWBQ-AYOQOUSVSA-N 0 1 394.309 2.947 20 0 GFADMN OCC[C@H](NC[C@@H](O)CC1(O)CCCCC1)c1ccccc1Br ZINC000878395621 662895252 /nfs/dbraw/zinc/89/52/52/662895252.db2.gz FPXIXYIRVPYMNN-YOEHRIQHSA-N 0 1 386.330 2.908 20 0 GFADMN CCc1c(NC(=O)Cc2c(Br)cnn2C)[nH]nc1-c1ccncc1 ZINC000878435899 662896365 /nfs/dbraw/zinc/89/63/65/662896365.db2.gz VPIMMZMZABIBTO-UHFFFAOYSA-N 0 1 389.257 2.711 20 0 GFADMN CN(CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1cc(Br)no1 ZINC000878606719 662900273 /nfs/dbraw/zinc/90/02/73/662900273.db2.gz PBUVNJSZZVADGO-GFCCVEGCSA-N 0 1 393.241 2.695 20 0 GFADMN O[C@H](CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1cc(Br)no1 ZINC000878764473 662904552 /nfs/dbraw/zinc/90/45/52/662904552.db2.gz HDKKQDUYYBWUTJ-ARFHVFGLSA-N 0 1 395.297 2.929 20 0 GFADMN CCc1c(NC(=O)C[C@@H]2CCNC2=O)[nH]nc1-c1ccc(Br)cc1 ZINC000878817936 662906562 /nfs/dbraw/zinc/90/65/62/662906562.db2.gz YVWHYPAYKOMCMC-NSHDSACASA-N 0 1 391.269 2.866 20 0 GFADMN OCC[C@@H](NC[C@H](O)c1cc(Br)no1)c1ccc(Cl)c(F)c1 ZINC000879114577 662917513 /nfs/dbraw/zinc/91/75/13/662917513.db2.gz LOONPVALDKUGQF-NEPJUHHUSA-N 0 1 393.640 2.976 20 0 GFADMN Cn1nc(Br)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000879643556 662932909 /nfs/dbraw/zinc/93/29/09/662932909.db2.gz LMIWPNWIGNTVKO-SNVBAGLBSA-N 0 1 394.277 2.590 20 0 GFADMN O=C(Nc1cccc(Br)c1F)N1CC(CNC(=O)C(F)(F)F)C1 ZINC000880109625 662951233 /nfs/dbraw/zinc/95/12/33/662951233.db2.gz CUFDGNUDFGKPGL-UHFFFAOYSA-N 0 1 398.154 2.730 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](O)c1ccccc1Br ZINC000880251071 662956325 /nfs/dbraw/zinc/95/63/25/662956325.db2.gz PTOLRVRCFIQCEP-GTTSAUCSSA-N 0 1 378.270 2.688 20 0 GFADMN COC(=O)c1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)c(Br)c1 ZINC000880585340 662963218 /nfs/dbraw/zinc/96/32/18/662963218.db2.gz PWFNGVAWTXTQAS-HNNXBMFYSA-N 0 1 398.297 2.599 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)Nc2c3c(ccc2Br)OCC3)n[nH]1 ZINC000880799164 662970598 /nfs/dbraw/zinc/97/05/98/662970598.db2.gz AFBVKNDARVZAHR-MRVPVSSYSA-N 0 1 380.246 2.947 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCN1c1cc[nH+]cc1 ZINC000881632978 662998462 /nfs/dbraw/zinc/99/84/62/662998462.db2.gz RODZNZYIVLIYKW-GFCCVEGCSA-N 0 1 376.254 2.901 20 0 GFADMN Brc1nnc2ccc(NC[C@@H](c3ccco3)N3CCCC3)nn12 ZINC000881754033 663001822 /nfs/dbraw/zinc/00/18/22/663001822.db2.gz FPJLSACMFICJGR-NSHDSACASA-N 0 1 377.246 2.729 20 0 GFADMN CO[C@@H](CNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000881891611 663008211 /nfs/dbraw/zinc/00/82/11/663008211.db2.gz BWQZLMGGTACOIJ-ZETCQYMHSA-N 0 1 386.701 2.609 20 0 GFADMN C[S@](=O)(=NS(=O)(=O)[N-]C1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000881965596 663011456 /nfs/dbraw/zinc/01/14/56/663011456.db2.gz MBJYSNHSSREZJW-XMMPIXPASA-N 0 1 391.603 2.658 20 0 GFADMN Cc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c(Br)cc2C)n[nH]1 ZINC000882195145 663020279 /nfs/dbraw/zinc/02/02/79/663020279.db2.gz VMHZEDOETCHWED-ZETCQYMHSA-N 0 1 393.694 2.877 20 0 GFADMN C[C@@H]1CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)CCN1CC(C)(C)O ZINC000882232854 663021790 /nfs/dbraw/zinc/02/17/90/663021790.db2.gz BEJAZGNLOJOLMG-YDBLSZJJSA-N 0 1 379.448 2.893 20 0 GFADMN CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000882355108 663025366 /nfs/dbraw/zinc/02/53/66/663025366.db2.gz VNQASGJIINASJK-HZPDHXFCSA-N 0 1 394.269 2.715 20 0 GFADMN Cc1nn(-c2ccccn2)c(Cl)c1CNC[C@H](O)C(F)(F)C(F)(F)F ZINC000883367025 663054092 /nfs/dbraw/zinc/05/40/92/663054092.db2.gz GETWJZQXRVUSSS-JTQLQIEISA-N 0 1 384.736 2.877 20 0 GFADMN NCc1nc2c(s1)CCN(S(=O)(=O)c1cc(Cl)sc1Cl)C2 ZINC000883481461 663056087 /nfs/dbraw/zinc/05/60/87/663056087.db2.gz MGNJWEKFZLEDHM-UHFFFAOYSA-N 0 1 384.335 2.717 20 0 GFADMN O=C(NCCCc1nc[nH]n1)NCc1cc2cc(Br)ccc2o1 ZINC000883945936 663062678 /nfs/dbraw/zinc/06/26/78/663062678.db2.gz FSYHHXFJLVUXJY-UHFFFAOYSA-N 0 1 378.230 2.745 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N[C@H](C)c2ccc(Br)cc2)n1 ZINC000884014050 663063858 /nfs/dbraw/zinc/06/38/58/663063858.db2.gz ZVGJMSACEVFTIS-SECBINFHSA-N 0 1 384.303 2.991 20 0 GFADMN CSCc1nnc(CNC(=O)N[C@H](C)c2ccc(Br)cc2)[nH]1 ZINC000884014050 663063859 /nfs/dbraw/zinc/06/38/59/663063859.db2.gz ZVGJMSACEVFTIS-SECBINFHSA-N 0 1 384.303 2.991 20 0 GFADMN COc1c(C)cnc(CNC(=O)[C@H](N)c2ccc(Br)cc2)c1C ZINC000884204894 663067021 /nfs/dbraw/zinc/06/70/21/663067021.db2.gz HBQSLQWDHKMJHO-OAHLLOKOSA-N 0 1 378.270 2.786 20 0 GFADMN N[C@@H](C(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000884419406 663070558 /nfs/dbraw/zinc/07/05/58/663070558.db2.gz PSXOCOVCSDHYEX-VXGBXAGGSA-N 0 1 381.192 2.629 20 0 GFADMN Cc1cc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccc(C)c(Cl)c2n1 ZINC000884542904 663072330 /nfs/dbraw/zinc/07/23/30/663072330.db2.gz PSXXWMLUORRZJI-SFHVURJKSA-N 0 1 380.897 2.899 20 0 GFADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000885261736 663087747 /nfs/dbraw/zinc/08/77/47/663087747.db2.gz MZPNOBVUMNQMSJ-DFKRKDTASA-N 0 1 392.253 2.608 20 0 GFADMN O=S(=O)(c1ccc(Cl)s1)N1CCCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885975860 663102204 /nfs/dbraw/zinc/10/22/04/663102204.db2.gz YCQXJICWVCJEMX-XJKSGUPXSA-N 0 1 390.958 2.525 20 0 GFADMN COc1ccc(CNCCn2cc(Br)ccc2=O)c(F)c1OC ZINC000886130105 663103754 /nfs/dbraw/zinc/10/37/54/663103754.db2.gz WCARZUHRPJYFBZ-UHFFFAOYSA-N 0 1 385.233 2.557 20 0 GFADMN COc1ncc(Br)cc1CNC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000886336932 663108546 /nfs/dbraw/zinc/10/85/46/663108546.db2.gz YOOCORCRNCAZSA-IUPKNAOTSA-N 0 1 385.302 2.915 20 0 GFADMN COC[C@H](NCc1ccc(F)cc1I)[C@@H]1CCCOC1 ZINC000886358579 663108942 /nfs/dbraw/zinc/10/89/42/663108942.db2.gz 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COc1cc(C)c(S(=O)(=O)NC[C@@H](N)c2ccccc2OC)cc1Cl ZINC000647187364 565643887 /nfs/dbraw/zinc/64/38/87/565643887.db2.gz LQAHPPGDJSGMKF-CQSZACIVSA-N 0 1 384.885 2.644 20 0 GFADMN CO[C@@]1(CO)CCCN(Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000668498827 565651213 /nfs/dbraw/zinc/65/12/13/565651213.db2.gz WURMXZIPZMDOET-SFHVURJKSA-N 0 1 394.313 2.917 20 0 GFADMN CN(C)S(=O)(=O)CCN1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625702007 565655384 /nfs/dbraw/zinc/65/53/84/565655384.db2.gz RQCUMTCUGFCYMC-AWEZNQCLSA-N 0 1 393.372 2.507 20 0 GFADMN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625725965 565656807 /nfs/dbraw/zinc/65/68/07/565656807.db2.gz ZKMYNMYSLDANCL-GFCCVEGCSA-N 0 1 381.885 2.810 20 0 GFADMN Cc1c2cc(C(=O)NC[C@H](C)N3CCN(C)CC3)[nH]c2ccc1Br ZINC000668695441 565662001 /nfs/dbraw/zinc/66/20/01/565662001.db2.gz QPZMRPHIOWREOX-LBPRGKRZSA-N 0 1 393.329 2.605 20 0 GFADMN Nc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cn1 ZINC000647537568 565663709 /nfs/dbraw/zinc/66/37/09/565663709.db2.gz 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565693210 /nfs/dbraw/zinc/69/32/10/565693210.db2.gz DHWSRQBNCNUEKF-SNVBAGLBSA-N 0 1 396.207 2.656 20 0 GFADMN O=C(c1ccc2cc(Br)ccc2c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627260434 565728927 /nfs/dbraw/zinc/72/89/27/565728927.db2.gz IYJRCXJNTLIGHL-ROUUACIJSA-N 0 1 389.293 2.883 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)o1)c1ccsc1 ZINC000670656995 565734885 /nfs/dbraw/zinc/73/48/85/565734885.db2.gz MGYBAUUUAGMQCD-CQSZACIVSA-N 0 1 383.901 2.810 20 0 GFADMN O=C(NCc1ccc(Cl)o1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000670625784 565734928 /nfs/dbraw/zinc/73/49/28/565734928.db2.gz MDFFJIARAPIOAD-CYBMUJFWSA-N 0 1 381.885 2.564 20 0 GFADMN COc1ccc(Br)cc1C(=O)CCC(=O)N1CCc2nc[nH]c2C1 ZINC000627363757 565735078 /nfs/dbraw/zinc/73/50/78/565735078.db2.gz WLAOQZLXVSVWDI-UHFFFAOYSA-N 0 1 392.253 2.729 20 0 GFADMN CC(C)[C@H]1CN(C(=O)c2c3ccc(Br)cc3nn2C)CCN1C ZINC000648879311 565736567 /nfs/dbraw/zinc/73/65/67/565736567.db2.gz FIZHVKYLPNWJAI-OAHLLOKOSA-N 0 1 379.302 2.748 20 0 GFADMN 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GFADMN CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736945392 600278334 /nfs/dbraw/zinc/27/83/34/600278334.db2.gz WSZZHBRJWHZDHJ-IBGZPJMESA-N 0 1 399.495 2.529 20 0 GFADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736945392 600278338 /nfs/dbraw/zinc/27/83/38/600278338.db2.gz WSZZHBRJWHZDHJ-IBGZPJMESA-N 0 1 399.495 2.529 20 0 GFADMN Cc1cc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)n(-c2ccc(C)cc2)n1 ZINC000738499094 600292867 /nfs/dbraw/zinc/29/28/67/600292867.db2.gz CBZUITYEBRQCLR-QGZVFWFLSA-N 0 1 382.464 2.614 20 0 GFADMN CC(C)[N@@H+](CCC(=O)N(C)CC(=O)[O-])Cc1cc(Br)ccc1F ZINC000736462908 600294221 /nfs/dbraw/zinc/29/42/21/600294221.db2.gz GIWAKTVJBYPSEC-UHFFFAOYSA-N 0 1 389.265 2.732 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)c(C(=O)[O-])c1C ZINC000737721173 600325713 /nfs/dbraw/zinc/32/57/13/600325713.db2.gz VXVGKAVRHAKJRR-NSHDSACASA-N 0 1 392.433 2.562 20 0 GFADMN COC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c(C(=O)[O-])c1C ZINC000737721173 600325717 /nfs/dbraw/zinc/32/57/17/600325717.db2.gz VXVGKAVRHAKJRR-NSHDSACASA-N 0 1 392.433 2.562 20 0 GFADMN Cc1cccn2c(=O)cc(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)nc12 ZINC000738784218 600328216 /nfs/dbraw/zinc/32/82/16/600328216.db2.gz AWYJVUSHUJJVHF-UHFFFAOYSA-N 0 1 387.386 2.758 20 0 GFADMN CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000736940959 600346955 /nfs/dbraw/zinc/34/69/55/600346955.db2.gz UJLGWGQNIFTUOQ-ZDUSSCGKSA-N 0 1 386.489 2.703 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000737660676 600354882 /nfs/dbraw/zinc/35/48/82/600354882.db2.gz DNOZCMYNRCAWOY-CQSZACIVSA-N 0 1 399.447 2.813 20 0 GFADMN Cc1nc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])sc1Cc1ccc(C)cc1 ZINC000422598939 600363067 /nfs/dbraw/zinc/36/30/67/600363067.db2.gz XMDXXCRQVSLTHJ-CYBMUJFWSA-N 0 1 375.494 2.942 20 0 GFADMN COc1cc2[nH+]c(NCCc3ccc(NC(=O)[O-])cc3)nc(N)c2cc1OC ZINC000737908460 600363567 /nfs/dbraw/zinc/36/35/67/600363567.db2.gz CIRDXUMVFGOFJH-UHFFFAOYSA-N 0 1 383.408 2.974 20 0 GFADMN C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000736587332 600397185 /nfs/dbraw/zinc/39/71/85/600397185.db2.gz VVNVWFPNGRKCHG-NSHDSACASA-N 0 1 381.889 2.512 20 0 GFADMN Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738912001 600407222 /nfs/dbraw/zinc/40/72/22/600407222.db2.gz RWCSXCUULWQBAE-GOSISDBHSA-N 0 1 376.888 2.634 20 0 GFADMN C[C@H](c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000736718597 600423130 /nfs/dbraw/zinc/42/31/30/600423130.db2.gz SOJPMMNIQGHCMH-CQSZACIVSA-N 0 1 390.461 2.579 20 0 GFADMN CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736995187 600468687 /nfs/dbraw/zinc/46/86/87/600468687.db2.gz KJPGHPRPFBLSLT-CQSZACIVSA-N 0 1 394.447 2.625 20 0 GFADMN COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738126601 600471564 /nfs/dbraw/zinc/47/15/64/600471564.db2.gz HUCDFHSMHSKLQK-UYAOXDASSA-N 0 1 394.471 2.523 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000737518578 600535919 /nfs/dbraw/zinc/53/59/19/600535919.db2.gz DIVWSYKNEWRNJG-RTBURBONSA-N 0 1 389.496 2.698 20 0 GFADMN COC(=O)c1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C(=O)[O-] ZINC000831404502 600653856 /nfs/dbraw/zinc/65/38/56/600653856.db2.gz GTNJQRLZNKDULZ-AWEZNQCLSA-N 0 1 377.441 2.510 20 0 GFADMN COC(=O)c1cc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000831294442 600663788 /nfs/dbraw/zinc/66/37/88/600663788.db2.gz MWKHJDPMHQHXQR-CQSZACIVSA-N 0 1 399.447 2.813 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000832918327 600683585 /nfs/dbraw/zinc/68/35/85/600683585.db2.gz UJAIZKWYWLGWPG-YOEHRIQHSA-N 0 1 376.453 2.684 20 0 GFADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000738671483 600686702 /nfs/dbraw/zinc/68/67/02/600686702.db2.gz YLWKKNUNIWJYNX-ZBFHGGJFSA-N 0 1 392.502 2.751 20 0 GFADMN 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O=C([O-])N1CCC([C@H](NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccc(F)cc2)CC1 ZINC000834072783 605982497 /nfs/dbraw/zinc/98/24/97/605982497.db2.gz DGPFBFLGDNBQKB-HSALFYBXSA-N 0 1 391.487 2.710 20 0 GFADMN Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1C(F)(F)F ZINC000822267521 606212466 /nfs/dbraw/zinc/21/24/66/606212466.db2.gz YIEMXYDTKUYXCC-UHFFFAOYSA-N 0 1 399.354 2.700 20 0 GFADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000822632153 606277947 /nfs/dbraw/zinc/27/79/47/606277947.db2.gz SHELZQJPMGNMHZ-LJQANCHMSA-N 0 1 398.430 2.601 20 0 GFADMN CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819940370 606421170 /nfs/dbraw/zinc/42/11/70/606421170.db2.gz YYGMFLGHKCVQIQ-UHFFFAOYSA-N 0 1 378.502 2.854 20 0 GFADMN CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819940370 606421172 /nfs/dbraw/zinc/42/11/72/606421172.db2.gz YYGMFLGHKCVQIQ-UHFFFAOYSA-N 0 1 378.502 2.854 20 0 GFADMN C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821621663 606554204 /nfs/dbraw/zinc/55/42/04/606554204.db2.gz AXABKJHYUWNKGJ-UHFFFAOYSA-N 0 1 382.493 2.665 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccc(F)c(C)c2)cc1-c1nn[nH]n1 ZINC000821971153 606585121 /nfs/dbraw/zinc/58/51/21/606585121.db2.gz YAAWTDFIUBVVBY-VIFPVBQESA-N 0 1 388.428 2.628 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000819866563 606717051 /nfs/dbraw/zinc/71/70/51/606717051.db2.gz NYZBIFCAJIFDRD-QVKFZJNVSA-N 0 1 376.464 2.857 20 0 GFADMN CC(C)[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[NH+](C)C ZINC000735690269 606737425 /nfs/dbraw/zinc/73/74/25/606737425.db2.gz IJKOKHIXZWZIQJ-QGZVFWFLSA-N 0 1 384.509 2.798 20 0 GFADMN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972892 606811587 /nfs/dbraw/zinc/81/15/87/606811587.db2.gz RNDNZPFHIBFDOU-MJGOQNOKSA-N 0 1 397.527 2.663 20 0 GFADMN O[C@@H](CNCc1nc2cc(Cl)ccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823690823 606858457 /nfs/dbraw/zinc/85/84/57/606858457.db2.gz VOBXYQJZIGWAOD-AWEZNQCLSA-N 0 1 386.868 2.953 20 0 GFADMN C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@@H+]1Cc1ccccc1 ZINC000820664504 606876724 /nfs/dbraw/zinc/87/67/24/606876724.db2.gz AWVFKLDHJFCHJI-ZBFHGGJFSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820664504 606876725 /nfs/dbraw/zinc/87/67/25/606876725.db2.gz AWVFKLDHJFCHJI-ZBFHGGJFSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820664504 606876727 /nfs/dbraw/zinc/87/67/27/606876727.db2.gz AWVFKLDHJFCHJI-ZBFHGGJFSA-N 0 1 386.463 2.885 20 0 GFADMN C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820664504 606876729 /nfs/dbraw/zinc/87/67/29/606876729.db2.gz AWVFKLDHJFCHJI-ZBFHGGJFSA-N 0 1 386.463 2.885 20 0 GFADMN COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821689910 606972642 /nfs/dbraw/zinc/97/26/42/606972642.db2.gz RIVRMNNAFHGOGF-UHFFFAOYSA-N 0 1 389.406 2.672 20 0 GFADMN COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821689910 606972644 /nfs/dbraw/zinc/97/26/44/606972644.db2.gz RIVRMNNAFHGOGF-UHFFFAOYSA-N 0 1 389.406 2.672 20 0 GFADMN COc1ccc(-c2cc(C(=O)N(C)Cc3cccc(-c4nn[nH]n4)c3)n[nH]2)cc1 ZINC000821728000 606992479 /nfs/dbraw/zinc/99/24/79/606992479.db2.gz QSBLLRFZFZTNCF-UHFFFAOYSA-N 0 1 389.419 2.538 20 0 GFADMN CC(C)[C@@H](CNc1cc(-c2nn[nH]n2)ccc1C(F)(F)F)N1CCOCC1 ZINC000820021563 607227002 /nfs/dbraw/zinc/22/70/02/607227002.db2.gz WEXZHZJXJKUWES-OAHLLOKOSA-N 0 1 384.406 2.654 20 0 GFADMN OC[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1C(F)(F)F ZINC000823705859 607230226 /nfs/dbraw/zinc/23/02/26/607230226.db2.gz IDZJWSIEDWIWSO-NSHDSACASA-N 0 1 397.426 2.888 20 0 GFADMN OC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1C(F)(F)F ZINC000823705859 607230227 /nfs/dbraw/zinc/23/02/27/607230227.db2.gz IDZJWSIEDWIWSO-NSHDSACASA-N 0 1 397.426 2.888 20 0 GFADMN c1c(CN2CCO[C@]3(CCc4ccccc43)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826523315 607803045 /nfs/dbraw/zinc/80/30/45/607803045.db2.gz IPDQMMFAQAUXFK-JOCHJYFZSA-N 0 1 386.459 2.793 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826077850 608020502 /nfs/dbraw/zinc/02/05/02/608020502.db2.gz XQVZJHNKCDXWNR-OLZOCXBDSA-N 0 1 388.520 2.533 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826077850 608020503 /nfs/dbraw/zinc/02/05/03/608020503.db2.gz XQVZJHNKCDXWNR-OLZOCXBDSA-N 0 1 388.520 2.533 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000826168793 608372369 /nfs/dbraw/zinc/37/23/69/608372369.db2.gz YQJKPZSCWLKZIS-LJQANCHMSA-N 0 1 379.464 2.747 20 0 GFADMN O=C(CC1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1)NC1CCCC1 ZINC000826404423 608389714 /nfs/dbraw/zinc/38/97/14/608389714.db2.gz ACURHEBOCALDFX-UHFFFAOYSA-N 0 1 386.475 2.667 20 0 GFADMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1ccccc1OC ZINC000825139085 608456117 /nfs/dbraw/zinc/45/61/17/608456117.db2.gz BJUIVZZRXPJVIU-CZUORRHYSA-N 0 1 380.452 2.943 20 0 GFADMN C[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553674 608462221 /nfs/dbraw/zinc/46/22/21/608462221.db2.gz FSZGOKRRNZCODR-XOBRGWDASA-N 0 1 376.464 2.785 20 0 GFADMN C[C@H](NCC(=O)Nc1nc2ccccc2s1)c1cccc(-c2nn[nH]n2)c1 ZINC000824564872 608484157 /nfs/dbraw/zinc/48/41/57/608484157.db2.gz XLRHQAGRLQLJIP-NSHDSACASA-N 0 1 379.449 2.766 20 0 GFADMN COc1ccc2oc(CN3CCN(c4ccccc4-c4nn[nH]n4)CC3)cc2c1 ZINC000826213793 608515401 /nfs/dbraw/zinc/51/54/01/608515401.db2.gz MPHYYWYTCPDZAU-UHFFFAOYSA-N 0 1 390.447 2.944 20 0 GFADMN Cc1ccccc1C[C@H](C)NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826306944 608529277 /nfs/dbraw/zinc/52/92/77/608529277.db2.gz QTQWZBYJUKADFE-INIZCTEOSA-N 0 1 390.491 2.501 20 0 GFADMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000824293426 608531087 /nfs/dbraw/zinc/53/10/87/608531087.db2.gz LKXPMXYJBWEMFU-UHFFFAOYSA-N 0 1 378.484 2.668 20 0 GFADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824506064 608559679 /nfs/dbraw/zinc/55/96/79/608559679.db2.gz KMVBNALNJUHKDL-JSGCOSHPSA-N 0 1 376.461 2.727 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323564 608681096 /nfs/dbraw/zinc/68/10/96/608681096.db2.gz YHCRNUIPPSCPJZ-ZDUSSCGKSA-N 0 1 376.461 2.681 20 0 GFADMN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323564 608681104 /nfs/dbraw/zinc/68/11/04/608681104.db2.gz YHCRNUIPPSCPJZ-ZDUSSCGKSA-N 0 1 376.461 2.681 20 0 GFADMN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825323564 608681107 /nfs/dbraw/zinc/68/11/07/608681107.db2.gz YHCRNUIPPSCPJZ-ZDUSSCGKSA-N 0 1 376.461 2.681 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000824507845 608700861 /nfs/dbraw/zinc/70/08/61/608700861.db2.gz ZDBQKEQVGSLXMP-CHWSQXEVSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000824507845 608700870 /nfs/dbraw/zinc/70/08/70/608700870.db2.gz ZDBQKEQVGSLXMP-CHWSQXEVSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000824507845 608700873 /nfs/dbraw/zinc/70/08/73/608700873.db2.gz ZDBQKEQVGSLXMP-CHWSQXEVSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211078 608722683 /nfs/dbraw/zinc/72/26/83/608722683.db2.gz KTJHTAZZYMCQSU-TZMCWYRMSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211078 608722695 /nfs/dbraw/zinc/72/26/95/608722695.db2.gz KTJHTAZZYMCQSU-TZMCWYRMSA-N 0 1 376.461 2.585 20 0 GFADMN CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000825211078 608722698 /nfs/dbraw/zinc/72/26/98/608722698.db2.gz KTJHTAZZYMCQSU-TZMCWYRMSA-N 0 1 376.461 2.585 20 0 GFADMN CN(Cc1cc(-c2nn[nH]n2)cs1)[C@@H](CO)c1cccc(Br)c1 ZINC000825953281 608741345 /nfs/dbraw/zinc/74/13/45/608741345.db2.gz CRBTUDIMJJCTES-AWEZNQCLSA-N 0 1 394.298 2.856 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cc2ccccc2s1 ZINC000825000773 608834503 /nfs/dbraw/zinc/83/45/03/608834503.db2.gz URQJCGLSBYQQOW-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cc2ccccc2s1 ZINC000825000773 608834510 /nfs/dbraw/zinc/83/45/10/608834510.db2.gz URQJCGLSBYQQOW-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cc2ccccc2s1 ZINC000825000773 608834513 /nfs/dbraw/zinc/83/45/13/608834513.db2.gz URQJCGLSBYQQOW-ZDUSSCGKSA-N 0 1 392.492 2.582 20 0 GFADMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826467859 609157298 /nfs/dbraw/zinc/15/72/98/609157298.db2.gz OYKUCIBGTJDQGH-UHFFFAOYSA-N 0 1 399.208 2.863 20 0 GFADMN CCc1cccnc1[C@H](C)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825728647 609169419 /nfs/dbraw/zinc/16/94/19/609169419.db2.gz UNYXMXBOHBRTCV-KSSFIOAISA-N 0 1 391.479 2.670 20 0 GFADMN 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O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899628736 663696706 /nfs/dbraw/zinc/69/67/06/663696706.db2.gz MQBSDYVEPBANPL-MEDUHNTESA-N 0 1 391.265 2.932 20 0 GFADMN Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)[nH]1 ZINC000899952428 663704209 /nfs/dbraw/zinc/70/42/09/663704209.db2.gz FWBVVZUBGVNDCI-UHFFFAOYSA-N 0 1 382.873 2.717 20 0 GFADMN COCC[C@@H]1CNCCN1C(=O)Nc1ccc(Br)cc1Cl ZINC000900483361 663715341 /nfs/dbraw/zinc/71/53/41/663715341.db2.gz DUFNGDITEFRUNT-LLVKDONJSA-N 0 1 376.682 2.945 20 0 GFADMN C[C@@](O)(Cn1cc([C@@H](N)c2ccc(Cl)cc2)nn1)C(F)(F)C(F)(F)F ZINC000900622357 663718275 /nfs/dbraw/zinc/71/82/75/663718275.db2.gz QBPXANMAXHDOIC-NWDGAFQWSA-N 0 1 384.736 2.928 20 0 GFADMN C[C@@H](NC(=O)CCSc1nc2ccccc2s1)[C@@H]1CN(C)CCN1C ZINC000900800389 663721695 /nfs/dbraw/zinc/72/16/95/663721695.db2.gz CQJVGOGPCMEJDK-HIFRSBDPSA-N 0 1 378.567 2.529 20 0 GFADMN CC(C)Oc1ccc(Br)cc1NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000901146435 663731267 /nfs/dbraw/zinc/73/12/67/663731267.db2.gz 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ZINC000290483150 563711039 /nfs/dbraw/zinc/71/10/39/563711039.db2.gz ODXNRXNUKIVDMQ-AWEZNQCLSA-N 0 1 395.297 2.665 20 0 GFADMN Cc1[nH]ncc1CCCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000362963992 563711374 /nfs/dbraw/zinc/71/13/74/563711374.db2.gz GHHMIOAKNJPAKA-UHFFFAOYSA-N 0 1 395.305 2.656 20 0 GFADMN CCN(Cc1cnn(C)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438831831 563711918 /nfs/dbraw/zinc/71/19/18/563711918.db2.gz AWXYBXBAHAIAJP-OAHLLOKOSA-N 0 1 386.265 2.584 20 0 GFADMN C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000438904332 563713399 /nfs/dbraw/zinc/71/33/99/563713399.db2.gz SWCWOXQMFKZGEN-SNVBAGLBSA-N 0 1 391.693 2.649 20 0 GFADMN C[NH+](C)C[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290606188 563715472 /nfs/dbraw/zinc/71/54/72/563715472.db2.gz DTKRADGTSHYUMS-LLVKDONJSA-N 0 1 378.270 2.727 20 0 GFADMN COc1ccc(Br)cc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000363221310 563717325 /nfs/dbraw/zinc/71/73/25/563717325.db2.gz PHTXTNOSNHEVCR-GJZGRUSLSA-N 0 1 398.301 2.521 20 0 GFADMN CN1CCN(C[C@H](O)COc2c(Cl)cc(Cl)cc2Br)CC1 ZINC000414129926 563720447 /nfs/dbraw/zinc/72/04/47/563720447.db2.gz WDRBFLXIMBHBDP-NSHDSACASA-N 0 1 398.128 2.743 20 0 GFADMN COc1ccc(C[C@@H](C)N[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000414126850 563720521 /nfs/dbraw/zinc/72/05/21/563720521.db2.gz FRLSFZSIKMWMND-BDJLRTHQSA-N 0 1 378.270 2.600 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)cc1 ZINC000439256243 563721471 /nfs/dbraw/zinc/72/14/71/563721471.db2.gz HLVCAXMEWUPKMV-UHFFFAOYSA-N 0 1 375.431 2.793 20 0 GFADMN COc1cc(CNCc2ccc(S(N)(=O)=O)c(Br)c2)ccc1C ZINC000414291259 563725086 /nfs/dbraw/zinc/72/50/86/563725086.db2.gz AYEGGQMDDIDGNI-UHFFFAOYSA-N 0 1 399.310 2.703 20 0 GFADMN NS(=O)(=O)c1ccc(CN[C@H]2CCc3c2cccc3O)cc1Br ZINC000414321333 563726102 /nfs/dbraw/zinc/72/61/02/563726102.db2.gz CLIXKNMFMPRVBN-AWEZNQCLSA-N 0 1 397.294 2.579 20 0 GFADMN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cn1C ZINC000439560533 563727985 /nfs/dbraw/zinc/72/79/85/563727985.db2.gz DQKLDHNVQYRLJS-UHFFFAOYSA-N 0 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GFADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(C3CC3)ncc2Br)C1 ZINC000291757083 563757421 /nfs/dbraw/zinc/75/74/21/563757421.db2.gz MFXMZXBIHHBZSS-TZMCWYRMSA-N 0 1 379.302 2.673 20 0 GFADMN C[N@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000364791526 563764059 /nfs/dbraw/zinc/76/40/59/563764059.db2.gz KDYMEHYNXCYMFE-LESCRADOSA-N 0 1 386.945 2.679 20 0 GFADMN CN1CCC[C@H](CNS(=O)(=O)C[C@H]2CCOC2)[C@@H]1c1cccc(Cl)c1 ZINC000364791526 563764061 /nfs/dbraw/zinc/76/40/61/563764061.db2.gz KDYMEHYNXCYMFE-LESCRADOSA-N 0 1 386.945 2.679 20 0 GFADMN CCOCC1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000442016797 563766947 /nfs/dbraw/zinc/76/69/47/563766947.db2.gz IEMWWEBWRDXNAC-UHFFFAOYSA-N 0 1 379.258 2.667 20 0 GFADMN CCOCC1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000442016797 563766950 /nfs/dbraw/zinc/76/69/50/563766950.db2.gz IEMWWEBWRDXNAC-UHFFFAOYSA-N 0 1 379.258 2.667 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1Cl ZINC000441984050 563767066 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CSC[C@H]1CCCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000292543546 563789925 /nfs/dbraw/zinc/78/99/25/563789925.db2.gz YAEVQWWIKLBANV-AWEZNQCLSA-N 0 1 383.945 2.812 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1 ZINC000415644743 563790227 /nfs/dbraw/zinc/79/02/27/563790227.db2.gz GEZQKUQLCKEYDI-VIFPVBQESA-N 0 1 382.214 2.755 20 0 GFADMN CC1(C)CN(C(=O)C(=O)Nc2cccc(Cl)c2SCC(F)F)CCN1 ZINC000415820251 563798461 /nfs/dbraw/zinc/79/84/61/563798461.db2.gz AYDCOHKRQAGRGO-UHFFFAOYSA-N 0 1 391.871 2.846 20 0 GFADMN CC(C)[C@H](NCc1nnnn1-c1ccccc1Br)C1(CO)CCC1 ZINC000293182719 563803324 /nfs/dbraw/zinc/80/33/24/563803324.db2.gz WAJUPWUSLNRQGF-INIZCTEOSA-N 0 1 394.317 2.702 20 0 GFADMN C[C@H](CC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000416320040 563815874 /nfs/dbraw/zinc/81/58/74/563815874.db2.gz ZCULJFFHVANOFG-KFWWJZLASA-N 0 1 383.330 2.856 20 0 GFADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(F)(F)F ZINC000443947238 563816093 /nfs/dbraw/zinc/81/60/93/563816093.db2.gz SCZFMHYJHDAATM-TVQRCGJNSA-N 0 1 386.461 2.682 20 0 GFADMN OC[C@@H]1CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000293851138 563826275 /nfs/dbraw/zinc/82/62/75/563826275.db2.gz BMZHJSKZFVVWKC-OAHLLOKOSA-N 0 1 383.330 2.880 20 0 GFADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1CCS(=O)(=O)[C@H]1C ZINC000293995075 563828912 /nfs/dbraw/zinc/82/89/12/563828912.db2.gz SJNVXPVSOKTQKI-LRDDRELGSA-N 0 1 398.326 2.608 20 0 GFADMN O=C(NCc1ccnc(-n2cccn2)c1)c1cc(Br)cc2nc[nH]c21 ZINC000367065557 563829393 /nfs/dbraw/zinc/82/93/93/563829393.db2.gz JBMCMWBLNYHDTM-UHFFFAOYSA-N 0 1 397.236 2.836 20 0 GFADMN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444353427 563829334 /nfs/dbraw/zinc/82/93/34/563829334.db2.gz SUWSKHUGLQJSKN-JTQLQIEISA-N 0 1 389.253 2.857 20 0 GFADMN O=C(N[C@@H]1CCC[C@H]1CCO)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444354787 563829654 /nfs/dbraw/zinc/82/96/54/563829654.db2.gz VUHALFSTKIWQFR-IINYFYTJSA-N 0 1 379.254 2.572 20 0 GFADMN Cc1c(NC(=O)c2cc(Br)c(=O)[nH]c2C)[nH]nc1-c1ccncc1 ZINC000367150952 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C[C@H](CN(C)C(=O)CCCC(=O)c1ccc(Br)cc1)c1nn[nH]n1 ZINC000446417527 563864109 /nfs/dbraw/zinc/86/41/09/563864109.db2.gz IRCPBERTHPFHNP-LLVKDONJSA-N 0 1 394.273 2.577 20 0 GFADMN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000446488089 563864431 /nfs/dbraw/zinc/86/44/31/563864431.db2.gz IVSAHYHHJHYLIL-CVEARBPZSA-N 0 1 394.313 2.545 20 0 GFADMN COc1cc(SC)ccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000446640245 563866430 /nfs/dbraw/zinc/86/64/30/563866430.db2.gz ZDKXTPFYTWUGPA-UHFFFAOYSA-N 0 1 387.504 2.621 20 0 GFADMN CC[C@H](Cc1ccccc1Br)NC(=O)NCCN1CCCOCC1 ZINC000446682217 563867699 /nfs/dbraw/zinc/86/76/99/563867699.db2.gz NAFVCHXJMZYHSQ-MRXNPFEDSA-N 0 1 398.345 2.792 20 0 GFADMN Cc1ccn2c(c1)nnc2NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000446887757 563869951 /nfs/dbraw/zinc/86/99/51/563869951.db2.gz YAZYNQJNDCHSOF-UHFFFAOYSA-N 0 1 397.236 3.443 20 0 GFADMN O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1C1CC1 ZINC000368513752 563872867 /nfs/dbraw/zinc/87/28/67/563872867.db2.gz 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Cc1nn(C)c(CNC2CCN(C(=O)CC(F)(F)F)CC2)c1Br ZINC000447938148 563891432 /nfs/dbraw/zinc/89/14/32/563891432.db2.gz DYHAOLLAMBTNET-UHFFFAOYSA-N 0 1 397.239 2.524 20 0 GFADMN Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448180910 563895102 /nfs/dbraw/zinc/89/51/02/563895102.db2.gz OAQLHTYLNYEXSW-OAHLLOKOSA-N 0 1 388.917 2.745 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)Cc3cc(Br)ccc3C)C2)CC1 ZINC000448925044 563903325 /nfs/dbraw/zinc/90/33/25/563903325.db2.gz LKSNRBBFKHQBOI-SFHVURJKSA-N 0 1 394.357 2.538 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)c2ccc3scc(Br)c3c2)C1 ZINC000448952218 563903822 /nfs/dbraw/zinc/90/38/22/563903822.db2.gz DYZYNZYHNBDJAD-GFCCVEGCSA-N 0 1 382.327 2.639 20 0 GFADMN O=C1NC2(CCCC2)C(=O)N1CCNCc1cccc(F)c1Br ZINC000449255904 564177833 /nfs/dbraw/zinc/17/78/33/564177833.db2.gz HBRXFTGEUWEEEA-UHFFFAOYSA-N 0 1 384.249 2.542 20 0 GFADMN COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC000470832613 564178553 /nfs/dbraw/zinc/17/85/53/564178553.db2.gz 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564478361 /nfs/dbraw/zinc/47/83/61/564478361.db2.gz BHPXOVWJUWTMOB-UHFFFAOYSA-N 0 1 392.257 2.865 20 0 GFADMN CC1=CCN(CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000547272900 564481165 /nfs/dbraw/zinc/48/11/65/564481165.db2.gz STCQATJSAUZXEB-UHFFFAOYSA-N 0 1 396.333 2.644 20 0 GFADMN CCN(C)C(=O)CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000480726082 564484778 /nfs/dbraw/zinc/48/47/78/564484778.db2.gz LBQOIDMAKPNJKS-CYBMUJFWSA-N 0 1 388.249 2.573 20 0 GFADMN C[C@@H](NC(=O)CN1CC[C@@H](c2nccn2C)C1)c1ccc(Br)cc1 ZINC000516083078 564492876 /nfs/dbraw/zinc/49/28/76/564492876.db2.gz LKFUGCXTQBNFQX-UKRRQHHQSA-N 0 1 391.313 2.849 20 0 GFADMN C[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1)N1CCC[C@@H](C)C1 ZINC000570154474 564493421 /nfs/dbraw/zinc/49/34/21/564493421.db2.gz AQIOUKUQSMPHKA-VXGBXAGGSA-N 0 1 380.432 2.826 20 0 GFADMN Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC1(c2nn[nH]n2)CC1 ZINC000516383763 564500882 /nfs/dbraw/zinc/50/08/82/564500882.db2.gz TXHSYDPIDABOGP-UHFFFAOYSA-N 0 1 379.207 2.889 20 0 GFADMN O=S(=O)(N[C@H](CO)CC1CCC1)c1cc(F)c(Br)cc1F ZINC000481216037 564505843 /nfs/dbraw/zinc/50/58/43/564505843.db2.gz SKGVEXSFQCFNJA-VIFPVBQESA-N 0 1 384.242 2.557 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000516630182 564507903 /nfs/dbraw/zinc/50/79/03/564507903.db2.gz XPAUHNCZYPMARB-VXGBXAGGSA-N 0 1 380.235 2.746 20 0 GFADMN CC=CC[C@@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000570504788 564509249 /nfs/dbraw/zinc/50/92/49/564509249.db2.gz RQMPXTDRKYDSIB-DLGQBQFBSA-N 0 1 390.241 2.621 20 0 GFADMN CC=CC[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000570504788 564509254 /nfs/dbraw/zinc/50/92/54/564509254.db2.gz RQMPXTDRKYDSIB-DLGQBQFBSA-N 0 1 390.241 2.621 20 0 GFADMN CNC(=O)Cc1nc(CSc2nc(C=Cc3ccc(C)o3)n[nH]2)cs1 ZINC000481286441 564509304 /nfs/dbraw/zinc/50/93/04/564509304.db2.gz MMHAFIISXHMEAA-AATRIKPKSA-N 0 1 375.479 2.914 20 0 GFADMN O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000516860561 564514054 /nfs/dbraw/zinc/51/40/54/564514054.db2.gz TUGZIEKNOOYDJJ-GFCCVEGCSA-N 0 1 380.844 2.800 20 0 GFADMN O=C1C[C@@H](CNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CN1C1CC1 ZINC000570689315 564517418 /nfs/dbraw/zinc/51/74/18/564517418.db2.gz LKJAUNYLRDWVHV-NSHDSACASA-N 0 1 380.279 2.675 20 0 GFADMN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000481763636 564522443 /nfs/dbraw/zinc/52/24/43/564522443.db2.gz FJQCTQBPUIXQMK-STQMWFEESA-N 0 1 396.285 2.868 20 0 GFADMN CCS(=O)(=O)c1ccc(CNC[C@@H](O)COc2cc(C)cc(C)c2)s1 ZINC000570836640 564523113 /nfs/dbraw/zinc/52/31/13/564523113.db2.gz JQGUPQQKQKOHCU-OAHLLOKOSA-N 0 1 383.535 2.688 20 0 GFADMN Cc1cc2c(cc1S(=O)(=O)Nc1ncc(Br)cc1C)OCO2 ZINC000481813045 564524823 /nfs/dbraw/zinc/52/48/23/564524823.db2.gz GSAHNMIIPSOKBS-UHFFFAOYSA-N 0 1 385.239 2.990 20 0 GFADMN COC(=O)c1nscc1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000481896615 564527271 /nfs/dbraw/zinc/52/72/71/564527271.db2.gz JSQMUTAMZBMPBJ-UHFFFAOYSA-N 0 1 382.250 2.741 20 0 GFADMN COc1cc2nccc(N[C@@H]3C[C@@H]4CCCCN4C3=O)c2cc1Br ZINC000570922887 564527972 /nfs/dbraw/zinc/52/79/72/564527972.db2.gz RZAANEZMJKRGBV-MEDUHNTESA-N 0 1 390.281 2.993 20 0 GFADMN COc1cc(F)ccc1NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000517361998 564531600 /nfs/dbraw/zinc/53/16/00/564531600.db2.gz UEFKIJPKXQSWTD-UHFFFAOYSA-N 0 1 387.454 2.655 20 0 GFADMN C[C@H](NC(=O)c1cccc(Br)c1O)C(=O)NCc1ccccc1 ZINC000517349321 564531739 /nfs/dbraw/zinc/53/17/39/564531739.db2.gz QULKZFNHXKXVMF-NSHDSACASA-N 0 1 377.238 2.589 20 0 GFADMN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000517361251 564531883 /nfs/dbraw/zinc/53/18/83/564531883.db2.gz JVDBTAMYDGRLSX-MRVPVSSYSA-N 0 1 380.779 2.655 20 0 GFADMN COCCN1CC[C@H](NC(=O)c2ccc(Br)cc2OC(C)C)C1 ZINC000517407059 564532770 /nfs/dbraw/zinc/53/27/70/564532770.db2.gz OXOYRMGDXJXABE-AWEZNQCLSA-N 0 1 385.302 2.687 20 0 GFADMN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000482443479 564542496 /nfs/dbraw/zinc/54/24/96/564542496.db2.gz CTCMRYFDOPWIAI-SNVBAGLBSA-N 0 1 381.274 2.608 20 0 GFADMN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000548442480 564552181 /nfs/dbraw/zinc/55/21/81/564552181.db2.gz XYFZDLPFSZSOBM-UHFFFAOYSA-N 0 1 388.225 2.668 20 0 GFADMN O=C(CNC(=O)Cc1[nH]nc2ccccc21)Nc1cccc(Br)c1 ZINC000482938206 564553622 /nfs/dbraw/zinc/55/36/22/564553622.db2.gz DDZWCCVYRAELAJ-UHFFFAOYSA-N 0 1 387.237 2.623 20 0 GFADMN CCN(CCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(C)C ZINC000482996535 564555480 /nfs/dbraw/zinc/55/54/80/564555480.db2.gz NZQKKGSEIZEYQT-HNNXBMFYSA-N 0 1 387.933 2.540 20 0 GFADMN O=S(=O)(NCCN1CCCCCC1)c1cccc(Br)c1F ZINC000571559070 564556885 /nfs/dbraw/zinc/55/68/85/564556885.db2.gz UTVFPTCVTPQTLV-UHFFFAOYSA-N 0 1 379.295 2.743 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@]1(C)C(=O)[O-] ZINC000571649437 564560933 /nfs/dbraw/zinc/56/09/33/564560933.db2.gz QFVONNRSUDOGFX-DIFFPNOSSA-N 0 1 394.269 2.966 20 0 GFADMN C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000518781616 564562066 /nfs/dbraw/zinc/56/20/66/564562066.db2.gz OLZYGYCNOKZABE-OAHLLOKOSA-N 0 1 386.945 2.885 20 0 GFADMN C[C@@H](NCC[C@H]1CCNC1=O)c1nc(-c2ccc(Br)cc2)no1 ZINC000571773066 564566594 /nfs/dbraw/zinc/56/65/94/564566594.db2.gz YBWIGARYYHFKFD-PWSUYJOCSA-N 0 1 379.258 2.676 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)Cc1ccc(F)cc1Br ZINC000548602880 564566657 /nfs/dbraw/zinc/56/66/57/564566657.db2.gz CHSWYQXBFMNWGL-UHFFFAOYSA-N 0 1 384.205 2.978 20 0 GFADMN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cccc(Br)c2O)cn1 ZINC000548668757 564569447 /nfs/dbraw/zinc/56/94/47/564569447.db2.gz SKXUFSZROCTUNC-DZGCQCFKSA-N 0 1 380.242 2.631 20 0 GFADMN Cn1cc(-c2[nH]ncc2C(=O)NCCOc2cccc(Cl)c2Cl)cn1 ZINC000548686749 564570166 /nfs/dbraw/zinc/57/01/66/564570166.db2.gz CPKAXQVHKUWVJK-UHFFFAOYSA-N 0 1 380.235 2.926 20 0 GFADMN CCn1cnc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000548695999 564571317 /nfs/dbraw/zinc/57/13/17/564571317.db2.gz GFHPPCIVAGMTRN-UHFFFAOYSA-N 0 1 380.539 2.561 20 0 GFADMN COc1cccc(CCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1OC ZINC000519225911 564572322 /nfs/dbraw/zinc/57/23/22/564572322.db2.gz RHIVCLWDTSXODV-MRXNPFEDSA-N 0 1 393.281 2.825 20 0 GFADMN COc1ccc2[nH]c(-c3cc(Br)c(C)n(C)c3=O)nc(=O)c2c1 ZINC000483853673 564576368 /nfs/dbraw/zinc/57/63/68/564576368.db2.gz ONNOPZBMJLWELA-UHFFFAOYSA-N 0 1 376.210 2.781 20 0 GFADMN CC(C)C[C@@H](N)c1noc(-c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000571999833 564577305 /nfs/dbraw/zinc/57/73/05/564577305.db2.gz AVJUSNPYEDKKEK-LLVKDONJSA-N 0 1 381.234 2.778 20 0 GFADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cnccc2C(F)(F)F)n[nH]1 ZINC000572069210 564579666 /nfs/dbraw/zinc/57/96/66/564579666.db2.gz FWQGTTQNKTYBSA-BDAKNGLRSA-N 0 1 377.392 2.772 20 0 GFADMN O=C(N[C@H]1CCO[C@@H]1c1ccncc1)c1cc(Br)cc2nc[nH]c21 ZINC000548888264 564580457 /nfs/dbraw/zinc/58/04/57/564580457.db2.gz VFUAQSYNYLQNHD-XJKSGUPXSA-N 0 1 387.237 2.980 20 0 GFADMN COc1cccc(CNC[C@@H](O)COc2ccc(Br)cc2)c1OC ZINC000548926529 564581121 /nfs/dbraw/zinc/58/11/21/564581121.db2.gz WSGJCESQTZNTLB-OAHLLOKOSA-N 0 1 396.281 2.996 20 0 GFADMN CN(Cc1ccc(Br)cc1Cl)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000548936374 564581445 /nfs/dbraw/zinc/58/14/45/564581445.db2.gz QKIPKZHYOCLWAJ-LLVKDONJSA-N 0 1 395.750 2.816 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000456028137 564584591 /nfs/dbraw/zinc/58/45/91/564584591.db2.gz SCEQPZOOVHPDSD-RRQGHBQHSA-N 0 1 395.341 2.856 20 0 GFADMN CN(CC(=O)N1CCOc2ccc(Br)cc2C1)[C@@H]1CCSC1 ZINC000549188332 564587988 /nfs/dbraw/zinc/58/79/88/564587988.db2.gz LHODVGBHRACRCW-CQSZACIVSA-N 0 1 385.327 2.607 20 0 GFADMN C[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)C[C@H](C)N1CCO ZINC000456218322 564595640 /nfs/dbraw/zinc/59/56/40/564595640.db2.gz ZIXWEHFAENMAQN-BETUJISGSA-N 0 1 375.296 2.676 20 0 GFADMN CCN(CC)CCS(=O)(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000549545599 564598009 /nfs/dbraw/zinc/59/80/09/564598009.db2.gz QVBYLIOALUEIEA-UHFFFAOYSA-N 0 1 396.340 2.583 20 0 GFADMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456280917 564598656 /nfs/dbraw/zinc/59/86/56/564598656.db2.gz UOPUBGXFNYXNNI-ABAIWWIYSA-N 0 1 385.277 2.660 20 0 GFADMN C[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2N2CCN(C)C[C@H]2C)CO1 ZINC000456354932 564601517 /nfs/dbraw/zinc/60/15/17/564601517.db2.gz BPXRJCOZKZVPFX-MCIONIFRSA-N 0 1 396.329 2.953 20 0 GFADMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)c1csnn1 ZINC000456363783 564602344 /nfs/dbraw/zinc/60/23/44/564602344.db2.gz FYKWRUOCLKAYHP-JTQLQIEISA-N 0 1 396.314 2.693 20 0 GFADMN CC(=O)CCC(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@H]1C ZINC000456364544 564602393 /nfs/dbraw/zinc/60/23/93/564602393.db2.gz GYEYTVWOCNFMTF-GFCCVEGCSA-N 0 1 382.302 2.897 20 0 GFADMN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000549713445 564603008 /nfs/dbraw/zinc/60/30/08/564603008.db2.gz WBZTVGJOPBBQEH-SNVBAGLBSA-N 0 1 396.241 2.711 20 0 GFADMN C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456369241 564603838 /nfs/dbraw/zinc/60/38/38/564603838.db2.gz LQSUKVAQZOFANY-YDHLFZDLSA-N 0 1 396.329 2.953 20 0 GFADMN CCO[C@@H]1C[C@@H](NCc2ccccc2S(=O)(=O)NC(C)(C)C)[C@@H]1SC ZINC000485213360 564609964 /nfs/dbraw/zinc/60/99/64/564609964.db2.gz RZSWCAQFAVNPHE-INMHGKMJSA-N 0 1 386.583 2.762 20 0 GFADMN Cc1cccc(OC[C@@H](O)CNC(=O)c2cccc(Br)c2O)c1 ZINC000520717006 564611410 /nfs/dbraw/zinc/61/14/10/564611410.db2.gz OHKCZZKATWXADQ-LBPRGKRZSA-N 0 1 380.238 2.633 20 0 GFADMN COCCN1CC[C@@H](NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000520767391 564612117 /nfs/dbraw/zinc/61/21/17/564612117.db2.gz ONMHDSGBEKLCGS-LLVKDONJSA-N 0 1 384.249 2.520 20 0 GFADMN CCN(CC)c1nc2sc(C(=O)N3CC[C@@H](c4nc[nH]n4)C3)cc2s1 ZINC000572871014 564613411 /nfs/dbraw/zinc/61/34/11/564613411.db2.gz RLEDULWZUWLAHG-SNVBAGLBSA-N 0 1 376.511 2.952 20 0 GFADMN CCc1nnc(CNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000572923893 564615302 /nfs/dbraw/zinc/61/53/02/564615302.db2.gz UNNCYHUFBRWXOB-UHFFFAOYSA-N 0 1 385.364 2.617 20 0 GFADMN O=C(CC1CCCC1)NCCNCc1cn2ccc(Br)cc2n1 ZINC000573048020 564620749 /nfs/dbraw/zinc/62/07/49/564620749.db2.gz KZHRHGZDUIGGBJ-UHFFFAOYSA-N 0 1 379.302 2.883 20 0 GFADMN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000456726958 564630197 /nfs/dbraw/zinc/63/01/97/564630197.db2.gz RJXDWRRINKVCPA-KBXCAEBGSA-N 0 1 395.341 2.652 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000573332664 564633763 /nfs/dbraw/zinc/63/37/63/564633763.db2.gz HFXZAZGEXRHJQH-CYBMUJFWSA-N 0 1 391.273 2.886 20 0 GFADMN COCCN1CC[C@H](NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 ZINC000521676955 564634353 /nfs/dbraw/zinc/63/43/53/564634353.db2.gz JROXXJQSXVJHJS-YOEHRIQHSA-N 0 1 399.329 2.689 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCOC[C@@H]1C1CCC1 ZINC000522004170 564641417 /nfs/dbraw/zinc/64/14/17/564641417.db2.gz PAYXVTLWVTWEBC-MRXNPFEDSA-N 0 1 391.265 2.932 20 0 GFADMN C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457017633 564643226 /nfs/dbraw/zinc/64/32/26/564643226.db2.gz ASUIMZVVSCZSPW-QWRGUYRKSA-N 0 1 382.258 2.526 20 0 GFADMN CC(C)(C)n1cc(C(=O)NCc2nc3cccc(Br)c3[nH]2)nn1 ZINC000457031944 564644222 /nfs/dbraw/zinc/64/42/22/564644222.db2.gz IETLEUMVWHJGAT-UHFFFAOYSA-N 0 1 377.246 2.602 20 0 GFADMN Cn1cc(C(C)(C)C(=O)NCc2nc3cccc(Br)c3[nH]2)cn1 ZINC000457058625 564644928 /nfs/dbraw/zinc/64/49/28/564644928.db2.gz NHVRHSUBJIWXML-UHFFFAOYSA-N 0 1 376.258 2.653 20 0 GFADMN C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457069190 564645001 /nfs/dbraw/zinc/64/50/01/564645001.db2.gz VAPLQMZRZCWEBL-NWDGAFQWSA-N 0 1 396.285 2.916 20 0 GFADMN CC(=O)NC1(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCCCC1 ZINC000457069936 564645483 /nfs/dbraw/zinc/64/54/83/564645483.db2.gz VKMSFZHDULHBTM-UHFFFAOYSA-N 0 1 393.285 2.781 20 0 GFADMN Cn1nc2c(c1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)CCC2 ZINC000551358138 564647301 /nfs/dbraw/zinc/64/73/01/564647301.db2.gz SNQLQRDKUCIHTF-UHFFFAOYSA-N 0 1 377.800 2.964 20 0 GFADMN CNC(=O)Cc1nc(CN[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)cs1 ZINC000573648826 564647999 /nfs/dbraw/zinc/64/79/99/564647999.db2.gz QTXXBUADZRGNGY-QAPCUYQASA-N 0 1 378.929 2.620 20 0 GFADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486304244 564648040 /nfs/dbraw/zinc/64/80/40/564648040.db2.gz NNVOWBYZYXPEEC-LLVKDONJSA-N 0 1 386.209 2.785 20 0 GFADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NC(=O)NC1CCCC1 ZINC000551426356 564650092 /nfs/dbraw/zinc/65/00/92/564650092.db2.gz VOBSUXXUAITUOG-INIZCTEOSA-N 0 1 395.301 2.653 20 0 GFADMN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cccc(Br)c2O)C1 ZINC000522564589 564652843 /nfs/dbraw/zinc/65/28/43/564652843.db2.gz DGYKPNICNBJYKF-RYUDHWBXSA-N 0 1 383.286 2.968 20 0 GFADMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000486700595 564663147 /nfs/dbraw/zinc/66/31/47/564663147.db2.gz ZTNNPOSOLHYFOK-UONOGXRCSA-N 0 1 380.491 2.934 20 0 GFADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc2nncn2c1 ZINC000523365864 564665609 /nfs/dbraw/zinc/66/56/09/564665609.db2.gz YSUBXHDGEALYCU-UHFFFAOYSA-N 0 1 384.197 2.529 20 0 GFADMN COCCN1CC[C@H](NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000523428707 564666680 /nfs/dbraw/zinc/66/66/80/564666680.db2.gz YUNYBJNWBRDOBQ-DLBZAZTESA-N 0 1 383.945 2.860 20 0 GFADMN COc1cc(CNCC(=O)Nc2cccc(Br)c2)cc(OC)c1O ZINC000574082925 564667890 /nfs/dbraw/zinc/66/78/90/564667890.db2.gz XZVAUUYYTBQULE-UHFFFAOYSA-N 0 1 395.253 2.900 20 0 GFADMN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Br)cn1 ZINC000551935082 564669845 /nfs/dbraw/zinc/66/98/45/564669845.db2.gz AXEWVCWYQKRUAO-JDSLSITLSA-N 0 1 392.301 2.590 20 0 GFADMN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116902 564676413 /nfs/dbraw/zinc/67/64/13/564676413.db2.gz OMGORROAYPLARF-ZJUUUORDSA-N 0 1 397.285 2.878 20 0 GFADMN CC[C@@H]1CN(CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCO1 ZINC000487152670 564677361 /nfs/dbraw/zinc/67/73/61/564677361.db2.gz IQGATCSYUMLLSZ-OAHLLOKOSA-N 0 1 384.311 2.775 20 0 GFADMN C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000457924706 564679597 /nfs/dbraw/zinc/67/95/97/564679597.db2.gz GAHDCRMFWPTBCB-UGFHNGPFSA-N 0 1 380.286 2.618 20 0 GFADMN CN(CC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)[C@H]1CCSC1 ZINC000457953616 564680768 /nfs/dbraw/zinc/68/07/68/564680768.db2.gz ZCIVVXGDNNIRGR-KBPBESRZSA-N 0 1 380.476 2.631 20 0 GFADMN C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1OC(F)F ZINC000552333860 564686147 /nfs/dbraw/zinc/68/61/47/564686147.db2.gz QRKOVSOTPJIRIE-WCQYABFASA-N 0 1 380.432 2.892 20 0 GFADMN CCc1nsc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)n1 ZINC000525263512 564697574 /nfs/dbraw/zinc/69/75/74/564697574.db2.gz DLUZCDVLIKPYNT-UHFFFAOYSA-N 0 1 397.298 2.531 20 0 GFADMN CCN(CC)CCS(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000575369976 564697760 /nfs/dbraw/zinc/69/77/60/564697760.db2.gz JAVXQJSNOZMCBW-UHFFFAOYSA-N 0 1 393.322 2.618 20 0 GFADMN CC[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(C)(C)O ZINC000458424037 564701933 /nfs/dbraw/zinc/70/19/33/564701933.db2.gz LGYKIOFCDZNJJH-GFCCVEGCSA-N 0 1 396.289 2.583 20 0 GFADMN CC[C@@H](NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(C)(C)O ZINC000458424037 564701938 /nfs/dbraw/zinc/70/19/38/564701938.db2.gz LGYKIOFCDZNJJH-GFCCVEGCSA-N 0 1 396.289 2.583 20 0 GFADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cc(Br)ccc1OC ZINC000525663493 564704724 /nfs/dbraw/zinc/70/47/24/564704724.db2.gz XLOYFEHJSFSEPZ-UHFFFAOYSA-N 0 1 382.214 2.918 20 0 GFADMN CCc1nc(CNC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)n[nH]1 ZINC000458554629 564705983 /nfs/dbraw/zinc/70/59/83/564705983.db2.gz ORMSOBJNZWXKCZ-SECBINFHSA-N 0 1 384.253 2.699 20 0 GFADMN CCN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000553001717 564706365 /nfs/dbraw/zinc/70/63/65/564706365.db2.gz NCLJJUDVZAYNCX-GUYCJALGSA-N 0 1 396.329 2.569 20 0 GFADMN CC(C)OC(=O)CCCNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458639335 564709774 /nfs/dbraw/zinc/70/97/74/564709774.db2.gz FHWMJLGGGOEXFY-UHFFFAOYSA-N 0 1 397.273 2.856 20 0 GFADMN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1Cl ZINC000488581425 564715176 /nfs/dbraw/zinc/71/51/76/564715176.db2.gz URPAEQZOSVINEE-IAQYHMDHSA-N 0 1 387.311 2.693 20 0 GFADMN O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1c(Cl)ccc(F)c1F ZINC000553446241 564721258 /nfs/dbraw/zinc/72/12/58/564721258.db2.gz YAZWBNPKCPJTGY-UHFFFAOYSA-N 0 1 384.795 2.677 20 0 GFADMN CCOC(=O)[C@H](C(=O)CSc1cccc(C(N)=O)c1)c1nc(C)cs1 ZINC000577185571 564727937 /nfs/dbraw/zinc/72/79/37/564727937.db2.gz RGGGIYTZGCOPFU-CQSZACIVSA-N 0 1 378.475 2.559 20 0 GFADMN C[NH+](C)CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000489056414 564728462 /nfs/dbraw/zinc/72/84/62/564728462.db2.gz YDSMPPWNKYOQBB-UHFFFAOYSA-N 0 1 390.130 2.986 20 0 GFADMN CN(CCNCc1cnc(-c2ccncc2)s1)S(=O)(=O)c1cccs1 ZINC000553579975 564728609 /nfs/dbraw/zinc/72/86/09/564728609.db2.gz BVRACWLOYSVVGZ-UHFFFAOYSA-N 0 1 394.547 2.677 20 0 GFADMN Cc1nnc(SCC(=O)Nc2cc(C)cc(I)c2)[nH]1 ZINC000577214939 564728733 /nfs/dbraw/zinc/72/87/33/564728733.db2.gz CTHFHQJSBJLDTM-UHFFFAOYSA-N 0 1 388.234 2.757 20 0 GFADMN Cc1n[nH]c(SCC(=O)Nc2cc(C)cc(I)c2)n1 ZINC000577214939 564728734 /nfs/dbraw/zinc/72/87/34/564728734.db2.gz CTHFHQJSBJLDTM-UHFFFAOYSA-N 0 1 388.234 2.757 20 0 GFADMN O=C(NC[C@@H](O)C(F)F)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000489241567 564733115 /nfs/dbraw/zinc/73/31/15/564733115.db2.gz WAZRUZGUQYFDEM-HUUCEWRRSA-N 0 1 375.847 2.620 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc2nc(C)sc2c1)c1cccs1 ZINC000489283122 564734051 /nfs/dbraw/zinc/73/40/51/564734051.db2.gz QOHROKBQEUNNMM-CQSZACIVSA-N 0 1 382.488 2.859 20 0 GFADMN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000527264148 564736545 /nfs/dbraw/zinc/73/65/45/564736545.db2.gz QIDWLDYRCYGJAT-GEDWGEIESA-N 0 1 396.310 2.821 20 0 GFADMN CC(=O)N1CC[C@H](NCc2ccc(S(C)(=O)=O)s2)c2ccccc2C1 ZINC000527292607 564737036 /nfs/dbraw/zinc/73/70/36/564737036.db2.gz QEYIWFKCGHQLQC-KRWDZBQOSA-N 0 1 378.519 2.735 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)n[nH]1 ZINC000459269297 564738431 /nfs/dbraw/zinc/73/84/31/564738431.db2.gz XCNNIGCRMFSTFO-NSHDSACASA-N 0 1 386.283 2.942 20 0 GFADMN O[C@H](CNCc1cnc(C2CC2)nc1)COc1ccccc1Br ZINC000459426163 564744154 /nfs/dbraw/zinc/74/41/54/564744154.db2.gz CZKLARSTBLXDCM-CQSZACIVSA-N 0 1 378.270 2.646 20 0 GFADMN Cc1nc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)sc1S(N)(=O)=O ZINC000579255068 564745955 /nfs/dbraw/zinc/74/59/55/564745955.db2.gz LWQHJBGXCIKUTI-LBPRGKRZSA-N 0 1 397.913 2.970 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1cccc2cc(C)cnc21)c1cccs1 ZINC000554071500 564749290 /nfs/dbraw/zinc/74/92/90/564749290.db2.gz LADBSTDRFSGXCW-MRXNPFEDSA-N 0 1 376.459 2.797 20 0 GFADMN CC[C@@H](C)[C@H]1NC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000554098647 564750539 /nfs/dbraw/zinc/75/05/39/564750539.db2.gz OHFUYWCXQRACPZ-NOZJJQNGSA-N 0 1 392.257 2.701 20 0 GFADMN CC[C@@H](C)[C@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000554098647 564750542 /nfs/dbraw/zinc/75/05/42/564750542.db2.gz OHFUYWCXQRACPZ-NOZJJQNGSA-N 0 1 392.257 2.701 20 0 GFADMN O[C@H]1C[C@H](CNCc2ncc(Br)cc2F)N(Cc2ccccc2)C1 ZINC000527682451 564755456 /nfs/dbraw/zinc/75/54/56/564755456.db2.gz DQHNCTNPYRFBFB-CVEARBPZSA-N 0 1 394.288 2.708 20 0 GFADMN C[C@H]1CN(CCCNC(=O)c2ccc(Br)c(F)c2F)C[C@H](C)O1 ZINC000527775114 564760514 /nfs/dbraw/zinc/76/05/14/564760514.db2.gz YKSXVPRLBMOTLD-QWRGUYRKSA-N 0 1 391.256 2.956 20 0 GFADMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1nc(C(F)(F)F)cs1 ZINC000490098110 564763665 /nfs/dbraw/zinc/76/36/65/564763665.db2.gz XFCKBBSOEUWIOA-QMMMGPOBSA-N 0 1 390.412 2.835 20 0 GFADMN Cc1csc(-c2cccc(S(=O)(=O)NC[C@@]3(N(C)C)CCSC3)c2)n1 ZINC000554534853 564764677 /nfs/dbraw/zinc/76/46/77/564764677.db2.gz YCTHVSBEKAZDLZ-KRWDZBQOSA-N 0 1 397.591 2.834 20 0 GFADMN CC[C@@H](NS(=O)(=O)c1c(N)noc1C)c1cc(F)cc(Br)c1 ZINC000580638310 564767932 /nfs/dbraw/zinc/76/79/32/564767932.db2.gz RCYUYUCEHACNIF-LLVKDONJSA-N 0 1 392.250 2.896 20 0 GFADMN Cc1nnsc1CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000490411091 564769920 /nfs/dbraw/zinc/76/99/20/564769920.db2.gz CIEAUJHIAJPEAU-UHFFFAOYSA-N 0 1 388.721 2.802 20 0 GFADMN CN1CCN(C(=O)CCN2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842590 564774750 /nfs/dbraw/zinc/77/47/50/564774750.db2.gz HVHJVMQMPMOVNM-QGZVFWFLSA-N 0 1 398.320 2.889 20 0 GFADMN CCN(CCNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1)CCC(F)(F)F ZINC000460669433 564778870 /nfs/dbraw/zinc/77/88/70/564778870.db2.gz MXXQSEZRJZTIPU-ZDUSSCGKSA-N 0 1 381.830 2.767 20 0 GFADMN COc1cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc(OC)c1Br ZINC000554986696 564780000 /nfs/dbraw/zinc/78/00/00/564780000.db2.gz YIDBWWMZYNROEZ-VIFPVBQESA-N 0 1 395.257 2.868 20 0 GFADMN CCN1CCN([C@H]2CCN(C(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000528456798 564787124 /nfs/dbraw/zinc/78/71/24/564787124.db2.gz QVPROIUFQLVCJD-ZDUSSCGKSA-N 0 1 378.929 2.802 20 0 GFADMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000491293346 564789292 /nfs/dbraw/zinc/78/92/92/564789292.db2.gz DLFZNHONCCQHMO-NSHDSACASA-N 0 1 381.723 2.865 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCO[C@@]2(CCSC2)C1 ZINC000581252738 564794286 /nfs/dbraw/zinc/79/42/86/564794286.db2.gz KWJVTFBVAOUMJA-HNNXBMFYSA-N 0 1 382.283 2.674 20 0 GFADMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1c(Cl)cncc1Cl ZINC000492054742 564797376 /nfs/dbraw/zinc/79/73/76/564797376.db2.gz QXORHBNPVQXKOT-UONOGXRCSA-N 0 1 380.275 2.754 20 0 GFADMN Cn1nnc2cc(CN[C@H](CO)c3ccc(Br)c(F)c3)ccc21 ZINC000492102517 564798551 /nfs/dbraw/zinc/79/85/51/564798551.db2.gz FNXUICXGZXAZAW-OAHLLOKOSA-N 0 1 379.233 2.693 20 0 GFADMN O=C(NC[C@@H]1COCCN1)Nc1ccc(Br)cc1C(F)(F)F ZINC000528675709 564799653 /nfs/dbraw/zinc/79/96/53/564799653.db2.gz RBEPJBUCMGJSPX-SECBINFHSA-N 0 1 382.180 2.578 20 0 GFADMN CN(C)C[C@@H](NCc1nnnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528770950 564803806 /nfs/dbraw/zinc/80/38/06/564803806.db2.gz YVPGOXRKICXPOU-GFCCVEGCSA-N 0 1 397.232 2.935 20 0 GFADMN CN(C)C[C@H](NCc1nnnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528770954 564803840 /nfs/dbraw/zinc/80/38/40/564803840.db2.gz YVPGOXRKICXPOU-LBPRGKRZSA-N 0 1 397.232 2.935 20 0 GFADMN COc1ccc([C@H](NCc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cn1 ZINC000528848331 564808015 /nfs/dbraw/zinc/80/80/15/564808015.db2.gz AWYCJAYLTFWNHT-QGZVFWFLSA-N 0 1 381.885 2.632 20 0 GFADMN O=C(NC[C@H](CO)Cc1ccccc1Br)c1ccc2cncn2c1 ZINC000581564429 564808202 /nfs/dbraw/zinc/80/82/02/564808202.db2.gz OCWBHBBDHCJPOT-CYBMUJFWSA-N 0 1 388.265 2.678 20 0 GFADMN CC1(N2CCOCC2)CCN(C(=O)Nc2cc(Br)ccn2)CC1 ZINC000529081258 564817324 /nfs/dbraw/zinc/81/73/24/564817324.db2.gz LVSAUEDGESFBOD-UHFFFAOYSA-N 0 1 383.290 2.563 20 0 GFADMN CC1CCN(CCNS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000462103321 564819761 /nfs/dbraw/zinc/81/97/61/564819761.db2.gz GDBAGVFSFMCZIU-UHFFFAOYSA-N 0 1 389.359 2.643 20 0 GFADMN CCn1cc(Br)c(=O)c(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000529129775 564820907 /nfs/dbraw/zinc/82/09/07/564820907.db2.gz MQTFFYAUCFRNQX-ZDUSSCGKSA-N 0 1 397.317 2.769 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1)c1cccs1 ZINC000462140550 564822922 /nfs/dbraw/zinc/82/29/22/564822922.db2.gz PREIBPYQVAXMKF-OAHLLOKOSA-N 0 1 381.475 2.779 20 0 GFADMN CN1CCN(C)[C@H](CNC(=O)Nc2cc(Cl)c(Br)cc2F)C1 ZINC000529175063 564824261 /nfs/dbraw/zinc/82/42/61/564824261.db2.gz RMVUJNSVBAGQAJ-SECBINFHSA-N 0 1 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598251201 /nfs/dbraw/zinc/25/12/01/598251201.db2.gz CJLDAWNSRZFNII-UHFFFAOYSA-N 0 1 395.463 2.798 20 0 GFADMN CC1(C)CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccccc1 ZINC000736214293 598255083 /nfs/dbraw/zinc/25/50/83/598255083.db2.gz QJWIJIJQODWXBF-UHFFFAOYSA-N 0 1 391.479 2.995 20 0 GFADMN [O-]C(=Cc1csc(-c2ccccc2Cl)n1)[NH+]=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737978710 598381726 /nfs/dbraw/zinc/38/17/26/598381726.db2.gz YXPXZAKQVZMIMS-UHFFFAOYSA-N 0 1 397.851 2.642 20 0 GFADMN CC(C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735856147 598407888 /nfs/dbraw/zinc/40/78/88/598407888.db2.gz FLGGSIRKNWPFGO-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN CC(C)[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735856147 598407890 /nfs/dbraw/zinc/40/78/90/598407890.db2.gz FLGGSIRKNWPFGO-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN CC(C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735856147 598407892 /nfs/dbraw/zinc/40/78/92/598407892.db2.gz FLGGSIRKNWPFGO-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN CC(C)[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735856147 598407894 /nfs/dbraw/zinc/40/78/94/598407894.db2.gz FLGGSIRKNWPFGO-UHFFFAOYSA-N 0 1 398.442 2.868 20 0 GFADMN Cc1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1Cl ZINC000737357673 598504271 /nfs/dbraw/zinc/50/42/71/598504271.db2.gz QYMZTCLDTSDTQO-UHFFFAOYSA-N 0 1 394.822 2.782 20 0 GFADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736440887 598529639 /nfs/dbraw/zinc/52/96/39/598529639.db2.gz HVJNSNRXPXMITM-MFKMUULPSA-N 0 1 376.486 2.778 20 0 GFADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738042117 598625195 /nfs/dbraw/zinc/62/51/95/598625195.db2.gz VEVKRGFIBCYUJR-MRXNPFEDSA-N 0 1 399.430 2.948 20 0 GFADMN O=C(c1cnc[nH]1)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000738284771 598627818 /nfs/dbraw/zinc/62/78/18/598627818.db2.gz XNVWHSNNYQSRIV-UHFFFAOYSA-N 0 1 377.383 2.572 20 0 GFADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826232644 607366040 /nfs/dbraw/zinc/36/60/40/607366040.db2.gz BHOBMMJRHGVPCV-UHFFFAOYSA-N 0 1 388.387 2.605 20 0 GFADMN Cc1csc([C@H]2CCCN2CCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC000737454822 598760981 /nfs/dbraw/zinc/76/09/81/598760981.db2.gz HFPQJPCIKAPJLZ-OAHLLOKOSA-N 0 1 383.481 2.797 20 0 GFADMN Cc1cc(N2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C(C)C)n1 ZINC000737270067 599308521 /nfs/dbraw/zinc/30/85/21/599308521.db2.gz ABZBBFDVWKSVSM-MRXNPFEDSA-N 0 1 392.511 2.972 20 0 GFADMN CCC[C@H](C)c1cc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)n[nH]1 ZINC000821014538 599444865 /nfs/dbraw/zinc/44/48/65/599444865.db2.gz INOZTAJVYBWRFQ-QMMMGPOBSA-N 0 1 388.457 2.568 20 0 GFADMN CCCCn1nc(C)c(CNCCOc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC000821083480 599452429 /nfs/dbraw/zinc/45/24/29/599452429.db2.gz ZRCVNRMRMPSIJG-UHFFFAOYSA-N 0 1 389.891 2.994 20 0 GFADMN CCOc1c(OC)cc(CNCc2cc(-c3nn[nH]n3)ccc2F)cc1OC ZINC000821389821 599456121 /nfs/dbraw/zinc/45/61/21/599456121.db2.gz QLJPGJXQDPGWJM-UHFFFAOYSA-N 0 1 387.415 2.712 20 0 GFADMN CCCC(=O)Nc1cccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736415250 599483906 /nfs/dbraw/zinc/48/39/06/599483906.db2.gz FSIKZGOYANDOEE-UHFFFAOYSA-N 0 1 390.451 2.543 20 0 GFADMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCCCC2)c1-c1nn[nH]n1 ZINC000737204307 599504751 /nfs/dbraw/zinc/50/47/51/599504751.db2.gz ZFFKATFXANOPQW-UHFFFAOYSA-N 0 1 397.458 2.838 20 0 GFADMN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCCC2)c1-c1nn[nH]n1 ZINC000737203968 599506973 /nfs/dbraw/zinc/50/69/73/599506973.db2.gz WWPALDBKAMMBSU-UHFFFAOYSA-N 0 1 397.458 2.507 20 0 GFADMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823656794 599646736 /nfs/dbraw/zinc/64/67/36/599646736.db2.gz IRPGPZOPFGLPOP-UHFFFAOYSA-N 0 1 375.436 2.759 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736811467 599716043 /nfs/dbraw/zinc/71/60/43/599716043.db2.gz ZBQSHYVIEJSXOG-RYUDHWBXSA-N 0 1 382.436 2.925 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000737869262 599752827 /nfs/dbraw/zinc/75/28/27/599752827.db2.gz YXVPTVBRXCBFEE-ZWKOTPCHSA-N 0 1 385.460 2.931 20 0 GFADMN Cc1nn(-c2ccc(C(=O)N(C)C[C@H]3CC[N@@H+](C)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896667 599774013 /nfs/dbraw/zinc/77/40/13/599774013.db2.gz UHTOESFRCKSHMW-KRWDZBQOSA-N 0 1 398.507 2.530 20 0 GFADMN C[C@]1(C2CCCCC2)NC(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736738682 599776353 /nfs/dbraw/zinc/77/63/53/599776353.db2.gz UTZYIKZXGXWHRH-OAQYLSRUSA-N 0 1 387.480 2.812 20 0 GFADMN C[C@]1(C2CCCCC2)NC(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)C1=O ZINC000736738682 599776356 /nfs/dbraw/zinc/77/63/56/599776356.db2.gz UTZYIKZXGXWHRH-OAQYLSRUSA-N 0 1 387.480 2.812 20 0 GFADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000739473445 599786791 /nfs/dbraw/zinc/78/67/91/599786791.db2.gz YTMUHDGEBKUZFQ-IRXDYDNUSA-N 0 1 375.375 2.987 20 0 GFADMN CC1(C)CN(CC(=O)Nc2ccsc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736734989 599796698 /nfs/dbraw/zinc/79/66/98/599796698.db2.gz AXOSDJXNAAHJEU-UHFFFAOYSA-N 0 1 387.505 2.981 20 0 GFADMN Cc1[nH+]ccn1CCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738894036 599820967 /nfs/dbraw/zinc/82/09/67/599820967.db2.gz GUWTXHHOGSDOLE-UHFFFAOYSA-N 0 1 386.330 2.653 20 0 GFADMN O=C([O-])N1CCC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000739924772 599834077 /nfs/dbraw/zinc/83/40/77/599834077.db2.gz MCNNBGFOYZMMOK-YJBOKZPZSA-N 0 1 399.413 2.700 20 0 GFADMN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737101607 599873531 /nfs/dbraw/zinc/87/35/31/599873531.db2.gz FWBBMUIGTXBODG-UHFFFAOYSA-N 0 1 380.448 2.916 20 0 GFADMN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737101607 599873532 /nfs/dbraw/zinc/87/35/32/599873532.db2.gz FWBBMUIGTXBODG-UHFFFAOYSA-N 0 1 380.448 2.916 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c2ccccc2)CC1 ZINC000737514932 599913241 /nfs/dbraw/zinc/91/32/41/599913241.db2.gz DTQZAGDNNJYZHD-SFHVURJKSA-N 0 1 386.427 2.843 20 0 GFADMN CC1(C)C[N@H+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCCC2)CCO1 ZINC000414616103 599957058 /nfs/dbraw/zinc/95/70/58/599957058.db2.gz PTRIURLENLATFJ-UHFFFAOYSA-N 0 1 383.533 2.744 20 0 GFADMN CC(C)c1noc([C@H](C)N2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000736538966 599963855 /nfs/dbraw/zinc/96/38/55/599963855.db2.gz ZYFWRXNAGAKNEE-HNNXBMFYSA-N 0 1 388.468 2.649 20 0 GFADMN Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)no1 ZINC000738850921 599979388 /nfs/dbraw/zinc/97/93/88/599979388.db2.gz FUQQISNJODFCEI-DZGCQCFKSA-N 0 1 386.452 2.666 20 0 GFADMN Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)no1 ZINC000738850921 599979391 /nfs/dbraw/zinc/97/93/91/599979391.db2.gz FUQQISNJODFCEI-DZGCQCFKSA-N 0 1 386.452 2.666 20 0 GFADMN Cc1c(C(=O)Nc2sccc2C(=O)[O-])nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000738276461 599997016 /nfs/dbraw/zinc/99/70/16/599997016.db2.gz VLKXRNNQOXTOAC-UHFFFAOYSA-N 0 1 397.460 2.576 20 0 GFADMN Cc1nc(C[NH+]2CCC(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])CC2)cs1 ZINC000738854029 600066276 /nfs/dbraw/zinc/06/62/76/600066276.db2.gz CDJFWFVUUUIXEB-IBGZPJMESA-N 0 1 399.516 2.702 20 0 GFADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000737114054 600074209 /nfs/dbraw/zinc/07/42/09/600074209.db2.gz FVQDQTHOLPGFFU-LJQANCHMSA-N 0 1 397.475 2.672 20 0 GFADMN C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000736803403 600091356 /nfs/dbraw/zinc/09/13/56/600091356.db2.gz VHJTYUNZZAHFNM-BZPMIXESSA-N 0 1 380.510 2.745 20 0 GFADMN C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC000736803403 600091358 /nfs/dbraw/zinc/09/13/58/600091358.db2.gz VHJTYUNZZAHFNM-BZPMIXESSA-N 0 1 380.510 2.745 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738093796 600105151 /nfs/dbraw/zinc/10/51/51/600105151.db2.gz ZGIXLDYDHWDTCU-INIZCTEOSA-N 0 1 397.475 2.711 20 0 GFADMN CC[C@@]([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)(C(=O)[O-])c1ccccc1 ZINC000736919121 600131672 /nfs/dbraw/zinc/13/16/72/600131672.db2.gz YCOLXPAAHNQZDE-QFIPXVFZSA-N 0 1 395.459 2.732 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000739283468 600140005 /nfs/dbraw/zinc/14/00/05/600140005.db2.gz KPZCAUTZJCYWAE-OAHLLOKOSA-N 0 1 381.432 2.674 20 0 GFADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000739283468 600140007 /nfs/dbraw/zinc/14/00/07/600140007.db2.gz KPZCAUTZJCYWAE-OAHLLOKOSA-N 0 1 381.432 2.674 20 0 GFADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736759749 600178796 /nfs/dbraw/zinc/17/87/96/600178796.db2.gz KDHRNSHYSCGCOK-MAODMQOUSA-N 0 1 378.472 2.903 20 0 GFADMN O=C([O-])CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCCO1 ZINC000739725198 600210161 /nfs/dbraw/zinc/21/01/61/600210161.db2.gz VKTPMAOJPRCHAG-OAHLLOKOSA-N 0 1 399.285 2.733 20 0 GFADMN CC[C@H]1CN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC[N@H+]1CCOC 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HHUVKPRDHIJYQG-QZTJIDSGSA-N 0 1 389.496 2.698 20 0 GFADMN C[C@@](O)(C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736670253 600762338 /nfs/dbraw/zinc/76/23/38/600762338.db2.gz KDYNMCMELOINML-XJKSGUPXSA-N 0 1 375.252 2.622 20 0 GFADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582469 600770515 /nfs/dbraw/zinc/77/05/15/600770515.db2.gz IAXFMCLZNPUQGL-RXVVDRJESA-N 0 1 396.487 2.637 20 0 GFADMN C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000736582469 600770517 /nfs/dbraw/zinc/77/05/17/600770517.db2.gz IAXFMCLZNPUQGL-RXVVDRJESA-N 0 1 396.487 2.637 20 0 GFADMN CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829160017 600787949 /nfs/dbraw/zinc/78/79/49/600787949.db2.gz BMAIJWJBDQECGN-CABCVRRESA-N 0 1 386.901 2.676 20 0 GFADMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829160017 600787950 /nfs/dbraw/zinc/78/79/50/600787950.db2.gz BMAIJWJBDQECGN-CABCVRRESA-N 0 1 386.901 2.676 20 0 GFADMN O=C([O-])c1ccsc1N1CC[C@H]([NH+]2CCC(OC3CCCC3)CC2)C1=O ZINC000833336414 600795096 /nfs/dbraw/zinc/79/50/96/600795096.db2.gz PVCQCOXCBRWHDX-INIZCTEOSA-N 0 1 378.494 2.975 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000737114495 600804478 /nfs/dbraw/zinc/80/44/78/600804478.db2.gz BCVKEKHVBZTWPZ-LJQANCHMSA-N 0 1 386.423 2.950 20 0 GFADMN C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736648616 600809010 /nfs/dbraw/zinc/80/90/10/600809010.db2.gz HCRNJMSLRDKNEI-UZLBHIALSA-N 0 1 397.475 2.725 20 0 GFADMN C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736648616 600809011 /nfs/dbraw/zinc/80/90/11/600809011.db2.gz HCRNJMSLRDKNEI-UZLBHIALSA-N 0 1 397.475 2.725 20 0 GFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000828213586 600820765 /nfs/dbraw/zinc/82/07/65/600820765.db2.gz AIFPQMHBLMPVGS-QSJFSLAZSA-N 0 1 391.537 2.889 20 0 GFADMN 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Cc1oc(S(=O)(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000833026301 601224262 /nfs/dbraw/zinc/22/42/62/601224262.db2.gz DPQJIIJCTWYJBM-AWEZNQCLSA-N 0 1 392.477 2.571 20 0 GFADMN COc1ccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826192461 607500967 /nfs/dbraw/zinc/50/09/67/607500967.db2.gz ONEWYWUCLLEGPE-GOSISDBHSA-N 0 1 392.463 2.503 20 0 GFADMN CC(C)[C@H](CO)[N@@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000826688320 601375672 /nfs/dbraw/zinc/37/56/72/601375672.db2.gz XWIYBHHXWKSXNL-FQEVSTJZSA-N 0 1 384.476 2.867 20 0 GFADMN C[C@@H]1C[N@@H+](Cn2nc(C(=O)[O-])c3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000828471817 601401363 /nfs/dbraw/zinc/40/13/63/601401363.db2.gz OIIQPJWMAYYCAN-HIFRSBDPSA-N 0 1 388.468 2.927 20 0 GFADMN CS(=O)(=O)c1cccc(OCC[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000572304413 601434235 /nfs/dbraw/zinc/43/42/35/601434235.db2.gz PTAUCRTZUPRQEX-LPHOPBHVSA-N 0 1 395.521 2.824 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000825913324 601434886 /nfs/dbraw/zinc/43/48/86/601434886.db2.gz ODHDQPYWTWCSCX-LPHOPBHVSA-N 0 1 387.480 2.939 20 0 GFADMN CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000825913324 601434888 /nfs/dbraw/zinc/43/48/88/601434888.db2.gz ODHDQPYWTWCSCX-LPHOPBHVSA-N 0 1 387.480 2.939 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000831917690 601473817 /nfs/dbraw/zinc/47/38/17/601473817.db2.gz ITMNFWXBVXQALD-OCCSQVGLSA-N 0 1 377.462 2.814 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000263357339 601513524 /nfs/dbraw/zinc/51/35/24/601513524.db2.gz REQVQEHLFONGPJ-OXQOHEQNSA-N 0 1 382.460 2.534 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C[C@H]1C(=O)[O-] ZINC000828430811 601528454 /nfs/dbraw/zinc/52/84/54/601528454.db2.gz DRGKNFCNIKHYEW-UMVBOHGHSA-N 0 1 387.461 2.671 20 0 GFADMN COc1ccc(-c2nc(NC(=O)C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)sc2C)cc1 ZINC000832129587 601541642 /nfs/dbraw/zinc/54/16/42/601541642.db2.gz DOVLVRXMBKYUAX-IAQYHMDHSA-N 0 1 389.477 2.718 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@]4(CCOC4)C3)c2C(=O)[O-])C1 ZINC000828309978 601660986 /nfs/dbraw/zinc/66/09/86/601660986.db2.gz HXMMURYXWFMFHG-BUXKBTBVSA-N 0 1 378.494 2.622 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@]4(CCOC4)C3)c2C(=O)[O-])C1 ZINC000828309978 601660989 /nfs/dbraw/zinc/66/09/89/601660989.db2.gz HXMMURYXWFMFHG-BUXKBTBVSA-N 0 1 378.494 2.622 20 0 GFADMN CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000830059800 601733985 /nfs/dbraw/zinc/73/39/85/601733985.db2.gz QHSWUKNBIVBATQ-JOCHJYFZSA-N 0 1 382.460 2.935 20 0 GFADMN CCOc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000830070979 601734080 /nfs/dbraw/zinc/73/40/80/601734080.db2.gz LFWQTRIOVPYMTJ-HSZRJFAPSA-N 0 1 396.487 2.863 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000833221237 601888575 /nfs/dbraw/zinc/88/85/75/601888575.db2.gz FDZBEQCAOMFMQM-DNVCBOLYSA-N 0 1 390.530 2.846 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000833221237 601888578 /nfs/dbraw/zinc/88/85/78/601888578.db2.gz FDZBEQCAOMFMQM-DNVCBOLYSA-N 0 1 390.530 2.846 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000833221374 601890517 /nfs/dbraw/zinc/89/05/17/601890517.db2.gz KDZQDMDBCLUSMD-CYBMUJFWSA-N 0 1 387.299 2.670 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739061031 601895164 /nfs/dbraw/zinc/89/51/64/601895164.db2.gz WYAXKJVHPRSRIZ-DBVUQKKJSA-N 0 1 381.476 2.817 20 0 GFADMN Cc1ccc2nc(C[N@@H+](C)[C@H](C(=O)[O-])c3cc(F)c(F)c(F)c3)cc(=O)n2c1 ZINC000832960165 601905878 /nfs/dbraw/zinc/90/58/78/601905878.db2.gz MYOHVYQPOKOCFG-SFHVURJKSA-N 0 1 391.349 2.678 20 0 GFADMN Cc1ccc2nc(C[N@H+](C)[C@H](C(=O)[O-])c3cc(F)c(F)c(F)c3)cc(=O)n2c1 ZINC000832960165 601905881 /nfs/dbraw/zinc/90/58/81/601905881.db2.gz MYOHVYQPOKOCFG-SFHVURJKSA-N 0 1 391.349 2.678 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825972467 601926643 /nfs/dbraw/zinc/92/66/43/601926643.db2.gz SRVWXHBKNPEQGR-NWDGAFQWSA-N 0 1 388.892 2.718 20 0 GFADMN O=C([O-])N1CCC([N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C2CC2)CC1 ZINC000740500134 601932109 /nfs/dbraw/zinc/93/21/09/601932109.db2.gz KYPFOXPDCZRCPU-UHFFFAOYSA-N 0 1 385.464 2.670 20 0 GFADMN O=C([O-])NC[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000740643126 601947328 /nfs/dbraw/zinc/94/73/28/601947328.db2.gz NGDVACCYMNMHNH-KXBFYZLASA-N 0 1 387.505 2.933 20 0 GFADMN Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1-c1nn[nH]n1 ZINC000826304007 607535376 /nfs/dbraw/zinc/53/53/76/607535376.db2.gz QSROUXAIBFVMMR-UHFFFAOYSA-N 0 1 399.263 2.865 20 0 GFADMN COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000739953764 601963478 /nfs/dbraw/zinc/96/34/78/601963478.db2.gz VLVZHTUOBRUEBF-BEFAXECRSA-N 0 1 383.448 2.965 20 0 GFADMN COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000739953764 601963482 /nfs/dbraw/zinc/96/34/82/601963482.db2.gz VLVZHTUOBRUEBF-BEFAXECRSA-N 0 1 383.448 2.965 20 0 GFADMN CC(C)C[C@@H](NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000826788250 602024801 /nfs/dbraw/zinc/02/48/01/602024801.db2.gz WLYPJHCFMGNTFS-PKOBYXMFSA-N 0 1 381.561 2.578 20 0 GFADMN O=C([O-])c1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000634535403 602034340 /nfs/dbraw/zinc/03/43/40/602034340.db2.gz LYPWUGZSFZVXKO-UHFFFAOYSA-N 0 1 383.448 2.581 20 0 GFADMN C[N@@H+](CCCO)C1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000830777092 602044061 /nfs/dbraw/zinc/04/40/61/602044061.db2.gz NZSGDHDALMNFIU-INIZCTEOSA-N 0 1 375.296 2.898 20 0 GFADMN O=C([O-])c1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1Cl ZINC000833153931 602104830 /nfs/dbraw/zinc/10/48/30/602104830.db2.gz SBHSBXGRNUNYFC-JKSUJKDBSA-N 0 1 381.860 2.803 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)C1 ZINC000739058794 602133504 /nfs/dbraw/zinc/13/35/04/602133504.db2.gz NJEKRKXWBJDFTD-ZHALLVOQSA-N 0 1 388.512 2.853 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)C1 ZINC000739058797 602133640 /nfs/dbraw/zinc/13/36/40/602133640.db2.gz NJEKRKXWBJDFTD-ZIFCJYIRSA-N 0 1 388.512 2.853 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000739584867 602150080 /nfs/dbraw/zinc/15/00/80/602150080.db2.gz SHGXPMLVQJQNGK-HZPDHXFCSA-N 0 1 394.541 2.744 20 0 GFADMN Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740183749 602182336 /nfs/dbraw/zinc/18/23/36/602182336.db2.gz KAUXAJWVLXGWGJ-HKUYNNGSSA-N 0 1 388.512 2.601 20 0 GFADMN CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828921664 602214114 /nfs/dbraw/zinc/21/41/14/602214114.db2.gz 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CC[N@H+]1C[C@H](C)N(c2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)C[C@@H]1C ZINC000833658398 605119826 /nfs/dbraw/zinc/11/98/26/605119826.db2.gz SGWOPPKOIFZOAY-STQMWFEESA-N 0 1 390.871 2.503 20 0 GFADMN C[C@H]1C[C@H](CCNC(=O)NC2CCN(C(=O)[O-])CC2)C[N@H+]1Cc1ccccc1 ZINC000833593137 605145804 /nfs/dbraw/zinc/14/58/04/605145804.db2.gz VWOYEKGRGYRPGP-WMZOPIPTSA-N 0 1 388.512 2.729 20 0 GFADMN CC[N@H+]1C[C@H](C)N(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C[C@@H]1C ZINC000833659223 605146404 /nfs/dbraw/zinc/14/64/04/605146404.db2.gz ZNOKTSREOWILTM-RDBSUJKOSA-N 0 1 393.553 2.924 20 0 GFADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(C)(C)c1cccc(Br)c1 ZINC000833625675 605156062 /nfs/dbraw/zinc/15/60/62/605156062.db2.gz XHDJRVXBIIQBSQ-CYBMUJFWSA-N 0 1 397.313 2.734 20 0 GFADMN C[C@H](Oc1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cn1)c1ccccc1 ZINC000833537070 605157026 /nfs/dbraw/zinc/15/70/26/605157026.db2.gz HCFWFOYULAGVGA-SJORKVTESA-N 0 1 397.475 2.843 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccnc1Sc1ccccc1 ZINC000833627612 605159918 /nfs/dbraw/zinc/15/99/18/605159918.db2.gz ZPOQDNLBACVLJI-HNNXBMFYSA-N 0 1 385.489 2.854 20 0 GFADMN C[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000833622187 605175885 /nfs/dbraw/zinc/17/58/85/605175885.db2.gz MYUQVKCYVQHSFX-SJORKVTESA-N 0 1 382.460 2.885 20 0 GFADMN C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000833595682 605177136 /nfs/dbraw/zinc/17/71/36/605177136.db2.gz LCEYJBHYHHBZJM-GOEBONIOSA-N 0 1 392.477 2.557 20 0 GFADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000833629768 605197817 /nfs/dbraw/zinc/19/78/17/605197817.db2.gz ZJFMJAAGNOXITE-RXVVDRJESA-N 0 1 398.503 2.574 20 0 GFADMN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C(=O)[O-])c1 ZINC000833751620 605209921 /nfs/dbraw/zinc/20/99/21/605209921.db2.gz OGUBFFLYEYBITB-NVXWUHKLSA-N 0 1 388.489 2.635 20 0 GFADMN C[C@H](CC(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1)C(=O)c1ccc(Cl)cc1 ZINC000833513131 605232261 /nfs/dbraw/zinc/23/22/61/605232261.db2.gz FUQFCJKHPLQPDP-KGLIPLIRSA-N 0 1 380.872 2.556 20 0 GFADMN C[C@H]1C[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000833629004 605297617 /nfs/dbraw/zinc/29/76/17/605297617.db2.gz DDRATKOOFPPBPG-YOEHRIQHSA-N 0 1 378.469 2.885 20 0 GFADMN O[C@H](CN1CC[C@H](Oc2ccccc2Cl)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826503388 607752453 /nfs/dbraw/zinc/75/24/53/607752453.db2.gz WPCSEMWDBYUXEV-DOTOQJQBSA-N 0 1 385.855 2.707 20 0 GFADMN O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000784325378 605398719 /nfs/dbraw/zinc/39/87/19/605398719.db2.gz GWVIJDMGVQXWKY-IPMKNSEASA-N 0 1 379.460 2.810 20 0 GFADMN CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833462617 605473640 /nfs/dbraw/zinc/47/36/40/605473640.db2.gz GBBGJGVJRBTATE-UHFFFAOYSA-N 0 1 386.423 2.905 20 0 GFADMN 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O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)COCc1ccccc1Cl ZINC000834162563 605770996 /nfs/dbraw/zinc/77/09/96/605770996.db2.gz ZLOKEIVDNMZLSN-NPYXIHBLSA-N 0 1 382.888 2.871 20 0 GFADMN C[C@H](NC(=O)NCCOc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000833522942 605860410 /nfs/dbraw/zinc/86/04/10/605860410.db2.gz UUTCEYYJLZNSND-DOTOQJQBSA-N 0 1 389.496 2.716 20 0 GFADMN CC[C@@H]1CN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000833850988 605876840 /nfs/dbraw/zinc/87/68/40/605876840.db2.gz ZSUAZORZGYOPEN-NVXWUHKLSA-N 0 1 389.500 2.568 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833827271 605883063 /nfs/dbraw/zinc/88/30/63/605883063.db2.gz AJUNJZPZROWULM-VXGBXAGGSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833827271 605883065 /nfs/dbraw/zinc/88/30/65/605883065.db2.gz AJUNJZPZROWULM-VXGBXAGGSA-N 0 1 392.456 2.866 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833287 605884133 /nfs/dbraw/zinc/88/41/33/605884133.db2.gz XFVOFLKAFPBPGG-UWVGGRQHSA-N 0 1 391.802 2.858 20 0 GFADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833833287 605884137 /nfs/dbraw/zinc/88/41/37/605884137.db2.gz XFVOFLKAFPBPGG-UWVGGRQHSA-N 0 1 391.802 2.858 20 0 GFADMN O=C([O-])N1CCc2cccc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c21 ZINC000834120299 605898228 /nfs/dbraw/zinc/89/82/28/605898228.db2.gz KZYJMFBJBHYGPS-HXUWFJFHSA-N 0 1 381.476 2.584 20 0 GFADMN O=C([O-])N1CCc2cccc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c21 ZINC000834120299 605898231 /nfs/dbraw/zinc/89/82/31/605898231.db2.gz KZYJMFBJBHYGPS-HXUWFJFHSA-N 0 1 381.476 2.584 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](CC(=O)Nc3nc4ccc(F)cc4s3)C2)CC1 ZINC000834007332 605900855 /nfs/dbraw/zinc/90/08/55/605900855.db2.gz KTGRIDIQDJBSJA-UHFFFAOYSA-N 0 1 392.456 2.840 20 0 GFADMN O=C([O-])N1CCC2(CC[N@@H+](CC(=O)Nc3nc4ccc(F)cc4s3)C2)CC1 ZINC000834007332 605900858 /nfs/dbraw/zinc/90/08/58/605900858.db2.gz KTGRIDIQDJBSJA-UHFFFAOYSA-N 0 1 392.456 2.840 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833833645 605908143 /nfs/dbraw/zinc/90/81/43/605908143.db2.gz ZEEFQNURPIWLRX-UONOGXRCSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833833645 605908146 /nfs/dbraw/zinc/90/81/46/605908146.db2.gz ZEEFQNURPIWLRX-UONOGXRCSA-N 0 1 389.452 2.645 20 0 GFADMN CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c(C(=O)[O-])c1 ZINC000833510523 605914938 /nfs/dbraw/zinc/91/49/38/605914938.db2.gz LZUUWEWEWRWVQA-QZTJIDSGSA-N 0 1 387.480 2.532 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1OCCNC1(c2nccs2)CCCC1 ZINC000821702323 606093740 /nfs/dbraw/zinc/09/37/40/606093740.db2.gz PRLNTYLIZYLBEA-UHFFFAOYSA-N 0 1 386.481 2.770 20 0 GFADMN COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821708404 606409314 /nfs/dbraw/zinc/40/93/14/606409314.db2.gz PBKPNZMDENYAAR-SNVBAGLBSA-N 0 1 375.454 2.805 20 0 GFADMN COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821708404 606409316 /nfs/dbraw/zinc/40/93/16/606409316.db2.gz PBKPNZMDENYAAR-SNVBAGLBSA-N 0 1 375.454 2.805 20 0 GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175314 606538966 /nfs/dbraw/zinc/53/89/66/606538966.db2.gz FNRWODZJINIDHR-HNNXBMFYSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823175314 606538968 /nfs/dbraw/zinc/53/89/68/606538968.db2.gz FNRWODZJINIDHR-HNNXBMFYSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175314 606538970 /nfs/dbraw/zinc/53/89/70/606538970.db2.gz FNRWODZJINIDHR-HNNXBMFYSA-N 0 1 382.493 2.570 20 0 GFADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823175314 606538972 /nfs/dbraw/zinc/53/89/72/606538972.db2.gz FNRWODZJINIDHR-HNNXBMFYSA-N 0 1 382.493 2.570 20 0 GFADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000820761301 606571307 /nfs/dbraw/zinc/57/13/07/606571307.db2.gz WWXPYMIXSFOLHR-AWEZNQCLSA-N 0 1 382.493 2.665 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596185 606577576 /nfs/dbraw/zinc/57/75/76/606577576.db2.gz BYEKAWWKRAHWNH-HNNXBMFYSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821596185 606577578 /nfs/dbraw/zinc/57/75/78/606577578.db2.gz BYEKAWWKRAHWNH-HNNXBMFYSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596185 606577580 /nfs/dbraw/zinc/57/75/80/606577580.db2.gz BYEKAWWKRAHWNH-HNNXBMFYSA-N 0 1 382.493 2.522 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821596185 606577582 /nfs/dbraw/zinc/57/75/82/606577582.db2.gz BYEKAWWKRAHWNH-HNNXBMFYSA-N 0 1 382.493 2.522 20 0 GFADMN CC(C)C1CCC(N2CCN(C(=O)c3sccc3-c3nn[nH]n3)CC2)CC1 ZINC000820037285 606605868 /nfs/dbraw/zinc/60/58/68/606605868.db2.gz BMLLLCDQUBGZRA-UHFFFAOYSA-N 0 1 388.541 2.901 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@](C)(c2ccccc2)C1 ZINC000819866562 606717013 /nfs/dbraw/zinc/71/70/13/606717013.db2.gz NYZBIFCAJIFDRD-BTYIYWSLSA-N 0 1 376.464 2.857 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@](C)(c2ccccc2)C1 ZINC000819877232 606717354 /nfs/dbraw/zinc/71/73/54/606717354.db2.gz RMMHILVPXAVUAN-VFNWGFHPSA-N 0 1 376.464 2.857 20 0 GFADMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819928610 606753309 /nfs/dbraw/zinc/75/33/09/606753309.db2.gz RRXQWOUUHGSEKI-CYBMUJFWSA-N 0 1 375.448 2.950 20 0 GFADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000819928611 606753349 /nfs/dbraw/zinc/75/33/49/606753349.db2.gz RRXQWOUUHGSEKI-ZDUSSCGKSA-N 0 1 375.448 2.950 20 0 GFADMN CCCN(C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000821094782 606922557 /nfs/dbraw/zinc/92/25/57/606922557.db2.gz QNVDUAYAZYWPRT-BEFAXECRSA-N 0 1 394.479 2.639 20 0 GFADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000820433519 606996871 /nfs/dbraw/zinc/99/68/71/606996871.db2.gz YKONVSWUGPZQHJ-GFCCVEGCSA-N 0 1 380.843 2.952 20 0 GFADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000819877087 607177379 /nfs/dbraw/zinc/17/73/79/607177379.db2.gz OHJUSZQCLGZUQB-DNVCBOLYSA-N 0 1 391.479 2.770 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2coc(-c3cccs3)n2)c2ccccc12 ZINC000823656473 607237828 /nfs/dbraw/zinc/23/78/28/607237828.db2.gz DXERPUBJICHQNE-UHFFFAOYSA-N 0 1 376.401 2.946 20 0 GFADMN CCCCC[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825268633 607829778 /nfs/dbraw/zinc/82/97/78/607829778.db2.gz WVSQNHRTZJXEHO-INIZCTEOSA-N 0 1 377.514 2.685 20 0 GFADMN C[C@@H]1CN(C(C)(C)CNc2ccc3cc(-c4nn[nH]n4)ccc3n2)C[C@@H](C)O1 ZINC000824978750 607839393 /nfs/dbraw/zinc/83/93/93/607839393.db2.gz WYVYOIJGTRHQAC-ZIAGYGMSSA-N 0 1 381.484 2.715 20 0 GFADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582607 607925168 /nfs/dbraw/zinc/92/51/68/607925168.db2.gz LYDLVJPJXXWKDI-DLBZAZTESA-N 0 1 399.495 2.823 20 0 GFADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C12CCCC2 ZINC000825582607 607925169 /nfs/dbraw/zinc/92/51/69/607925169.db2.gz LYDLVJPJXXWKDI-DLBZAZTESA-N 0 1 399.495 2.823 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073398 608021896 /nfs/dbraw/zinc/02/18/96/608021896.db2.gz QOJRPBJMXLNAIV-OAHLLOKOSA-N 0 1 396.499 2.510 20 0 GFADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073398 608021897 /nfs/dbraw/zinc/02/18/97/608021897.db2.gz QOJRPBJMXLNAIV-OAHLLOKOSA-N 0 1 396.499 2.510 20 0 GFADMN CC[C@@H](C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000825051817 608022744 /nfs/dbraw/zinc/02/27/44/608022744.db2.gz SKOAQZRKVBPHMH-SECBINFHSA-N 0 1 390.241 2.559 20 0 GFADMN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1-c1nn[nH]n1 ZINC000824328914 608106135 /nfs/dbraw/zinc/10/61/35/608106135.db2.gz DNKRDBAUWQCJMJ-NSHDSACASA-N 0 1 399.459 2.778 20 0 GFADMN C[C@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1)C1CC1 ZINC000736149531 608165868 /nfs/dbraw/zinc/16/58/68/608165868.db2.gz HBAOSKIGEVQDBC-NSHDSACASA-N 0 1 398.423 2.673 20 0 GFADMN O=C(CCc1ccc(-c2nn[nH]n2)cc1)OC[C@H]1CCCN1Cc1ccco1 ZINC000826408399 608249191 /nfs/dbraw/zinc/24/91/91/608249191.db2.gz DQEQOQCXFDLXNJ-QGZVFWFLSA-N 0 1 381.436 2.600 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@@H](C[C@H]4CCOC4)C3)o2)c1 ZINC000826512891 608326543 /nfs/dbraw/zinc/32/65/43/608326543.db2.gz SMYMRZSBLOWIHY-LSDHHAIUSA-N 0 1 395.467 2.555 20 0 GFADMN C[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1n1ccnc1 ZINC000824954399 608452572 /nfs/dbraw/zinc/45/25/72/608452572.db2.gz JVTJNXYLTPANMQ-SWLSCSKDSA-N 0 1 389.410 2.748 20 0 GFADMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824333862 608453213 /nfs/dbraw/zinc/45/32/13/608453213.db2.gz OSIDPSCHVOFUNF-HNNXBMFYSA-N 0 1 394.479 2.621 20 0 GFADMN C[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554908 608462050 /nfs/dbraw/zinc/46/20/50/608462050.db2.gz SOOHAIXWFRSANE-CYBMUJFWSA-N 0 1 380.477 2.656 20 0 GFADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826208440 608464487 /nfs/dbraw/zinc/46/44/87/608464487.db2.gz KOFIFPVDGQVWCV-NSHDSACASA-N 0 1 386.843 2.818 20 0 GFADMN C[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc(F)c(Cl)c1 ZINC000824562251 608471310 /nfs/dbraw/zinc/47/13/10/608471310.db2.gz DHOZNNBEFTUHPO-LLVKDONJSA-N 0 1 388.834 2.626 20 0 GFADMN C[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824563425 608488226 /nfs/dbraw/zinc/48/82/26/608488226.db2.gz OEJFMOBFUHTDIW-LLVKDONJSA-N 0 1 395.448 2.873 20 0 GFADMN Fc1ccc(/C=C\CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826374419 608503120 /nfs/dbraw/zinc/50/31/20/608503120.db2.gz YIEDNLJJAHIPGM-UPHRSURJSA-N 0 1 378.455 2.837 20 0 GFADMN Cc1cc(Cl)cc(C)c1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826267383 608508771 /nfs/dbraw/zinc/50/87/71/608508771.db2.gz CRAUUPCLHQUHLM-UHFFFAOYSA-N 0 1 383.887 2.854 20 0 GFADMN c1cncc(-c2cccc(CN3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)c1 ZINC000826525660 608518573 /nfs/dbraw/zinc/51/85/73/608518573.db2.gz UCXWTJXPPBYIOO-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN Cc1ccc([C@H](C)NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1C ZINC000826283505 608532643 /nfs/dbraw/zinc/53/26/43/608532643.db2.gz SONDYMACGWXFCX-INIZCTEOSA-N 0 1 390.491 2.940 20 0 GFADMN C[C@@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1Cl ZINC000824477657 608533252 /nfs/dbraw/zinc/53/32/52/608533252.db2.gz BRVLLOXZCBBPTM-CYBMUJFWSA-N 0 1 396.882 2.976 20 0 GFADMN O=C(NC1CC1)c1ccc(CN(Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000826429287 608544787 /nfs/dbraw/zinc/54/47/87/608544787.db2.gz ZBOKDQCRGXLTCS-UHFFFAOYSA-N 0 1 394.504 2.985 20 0 GFADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000824507848 608700493 /nfs/dbraw/zinc/70/04/93/608700493.db2.gz ZDBQKEQVGSLXMP-QWHCGFSZSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000824507848 608700499 /nfs/dbraw/zinc/70/04/99/608700499.db2.gz ZDBQKEQVGSLXMP-QWHCGFSZSA-N 0 1 376.461 2.585 20 0 GFADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000824507848 608700500 /nfs/dbraw/zinc/70/05/00/608700500.db2.gz ZDBQKEQVGSLXMP-QWHCGFSZSA-N 0 1 376.461 2.585 20 0 GFADMN CN(Cc1cc(-c2nn[nH]n2)cs1)[C@H](CO)c1cccc(Br)c1 ZINC000825953282 608740972 /nfs/dbraw/zinc/74/09/72/608740972.db2.gz CRBTUDIMJJCTES-CQSZACIVSA-N 0 1 394.298 2.856 20 0 GFADMN Cc1[nH]nc2cc(NC(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826322737 608829311 /nfs/dbraw/zinc/82/93/11/608829311.db2.gz ZXQUSYBCROSAAN-UHFFFAOYSA-N 0 1 377.408 2.848 20 0 GFADMN C[C@H]1CC(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@H](C)C1 ZINC000824877434 609140387 /nfs/dbraw/zinc/14/03/87/609140387.db2.gz YDYFRHBYESQMEW-IAGOWNOFSA-N 0 1 396.539 2.973 20 0 GFADMN COCCN(CCC(=O)c1ccc(F)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158094 609269283 /nfs/dbraw/zinc/26/92/83/609269283.db2.gz ZWQUFCVPIALECE-UHFFFAOYSA-N 0 1 383.427 2.727 20 0 GFADMN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC000826502490 609296338 /nfs/dbraw/zinc/29/63/38/609296338.db2.gz DWFILMQDDUKSJU-INIZCTEOSA-N 0 1 377.370 2.792 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)cc2Cl)cc1-c1nn[nH]n1 ZINC000826229490 609296663 /nfs/dbraw/zinc/29/66/63/609296663.db2.gz GMZDXUMKJLXZGG-UHFFFAOYSA-N 0 1 376.829 2.903 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2OCC2CC2)cc1-c1nn[nH]n1 ZINC000826229364 609300192 /nfs/dbraw/zinc/30/01/92/609300192.db2.gz BEJNMYYQEJJYSX-UHFFFAOYSA-N 0 1 398.448 2.730 20 0 GFADMN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824546239 609334014 /nfs/dbraw/zinc/33/40/14/609334014.db2.gz HSCHVKRHUFDIRT-WCQYABFASA-N 0 1 376.436 2.666 20 0 GFADMN CC(=O)c1ccc(O)c(NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)c1 ZINC000824024766 609350542 /nfs/dbraw/zinc/35/05/42/609350542.db2.gz OTFMIUGHEZTQKD-GOSISDBHSA-N 0 1 395.419 2.817 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000823821244 609358004 /nfs/dbraw/zinc/35/80/04/609358004.db2.gz QGKZTAOJXBEBEE-NSHDSACASA-N 0 1 378.274 2.630 20 0 GFADMN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)C[C@@H]1F ZINC000824954437 609373734 /nfs/dbraw/zinc/37/37/34/609373734.db2.gz JZJDBAKLMYCGHX-AAEUAGOBSA-N 0 1 392.504 2.816 20 0 GFADMN CSc1c(F)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826229359 609469655 /nfs/dbraw/zinc/46/96/55/609469655.db2.gz AZBJDFYQXMETIJ-UHFFFAOYSA-N 0 1 383.405 2.668 20 0 GFADMN Cc1c(Cl)cnc(N2CCN(Cc3cccs3)CC2)c1-c1nn[nH]n1 ZINC000826238138 609522559 /nfs/dbraw/zinc/52/25/59/609522559.db2.gz XHKAPZNWGJKOGR-UHFFFAOYSA-N 0 1 375.889 2.607 20 0 GFADMN C[C@@H](NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)c1nnc[nH]1 ZINC000543701790 650920423 /nfs/dbraw/zinc/92/04/23/650920423.db2.gz UUGNVZXQOANFBT-MRVPVSSYSA-N 0 1 379.446 2.970 20 0 GFADMN CN(C[C@H]1CCCN1C)C(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000817496235 660198471 /nfs/dbraw/zinc/19/84/71/660198471.db2.gz SUALLVMUWWPFEZ-GFCCVEGCSA-N 0 1 379.254 2.722 20 0 GFADMN COCCOc1ncccc1CNC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818975620 660240526 /nfs/dbraw/zinc/24/05/26/660240526.db2.gz SEAJIIQGEVQWTN-MRXNPFEDSA-N 0 1 399.260 2.832 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000819371671 660257297 /nfs/dbraw/zinc/25/72/97/660257297.db2.gz SZDCGHGMABZDRV-UHFFFAOYSA-N 0 1 375.504 2.647 20 0 GFADMN Brc1cc(CNCc2cc(-c3nn[nH]n3)cs2)cc2c1OCO2 ZINC000819689110 660267194 /nfs/dbraw/zinc/26/71/94/660267194.db2.gz VADFABRZRMEPKS-UHFFFAOYSA-N 0 1 394.254 2.709 20 0 GFADMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C3CC3)c2)c(F)c1 ZINC000819902683 660273201 /nfs/dbraw/zinc/27/32/01/660273201.db2.gz DNKKAPGRWWVJIH-UHFFFAOYSA-N 0 1 385.438 2.842 20 0 GFADMN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O ZINC000820790624 660306293 /nfs/dbraw/zinc/30/62/93/660306293.db2.gz PFRYNCKICWWTEQ-LLVKDONJSA-N 0 1 393.336 2.608 20 0 GFADMN O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc4nc(Cl)sc4c3)ccc21 ZINC000821097034 660315487 /nfs/dbraw/zinc/31/54/87/660315487.db2.gz PAYXUVHTZGZSOS-UHFFFAOYSA-N 0 1 393.833 2.634 20 0 GFADMN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822621095 660350192 /nfs/dbraw/zinc/35/01/92/660350192.db2.gz FCHBXFOCUCRXRF-SNVBAGLBSA-N 0 1 397.290 2.859 20 0 GFADMN CO[C@@H]1C[C@H]1C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000823170196 660363988 /nfs/dbraw/zinc/36/39/88/660363988.db2.gz TYKOIQBXSTZQTG-XPKDYRNWSA-N 0 1 376.254 2.681 20 0 GFADMN O=C(c1cnc(I)c(O)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000823378733 660370337 /nfs/dbraw/zinc/37/03/37/660370337.db2.gz XJFNZNOJGDCQCU-DGCLKSJQSA-N 0 1 384.217 2.652 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000823820144 660380761 /nfs/dbraw/zinc/38/07/61/660380761.db2.gz AJGXPAYQFTYTLE-HNNXBMFYSA-N 0 1 392.301 2.878 20 0 GFADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Br)[nH]n1 ZINC000825934023 660445866 /nfs/dbraw/zinc/44/58/66/660445866.db2.gz FIMLTYXYTUAXMX-UHFFFAOYSA-N 0 1 379.258 2.536 20 0 GFADMN OCCCC1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826509066 660455949 /nfs/dbraw/zinc/45/59/49/660455949.db2.gz KOJQIRMOPANMIG-UHFFFAOYSA-N 0 1 380.290 2.614 20 0 GFADMN CSCC[C@H](NC(=O)c1c(F)ccc(Br)c1C)c1nn[nH]n1 ZINC000826928122 660472335 /nfs/dbraw/zinc/47/23/35/660472335.db2.gz LNZLJBOEWLCHCF-JTQLQIEISA-N 0 1 388.266 2.634 20 0 GFADMN COC[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1cccc(Br)c1 ZINC000828105925 660532377 /nfs/dbraw/zinc/53/23/77/660532377.db2.gz JQBXETJDZUUAAR-LRDDRELGSA-N 0 1 378.270 2.781 20 0 GFADMN COc1cc(Br)ccc1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000828282353 660542714 /nfs/dbraw/zinc/54/27/14/660542714.db2.gz YYAQTTIMSHKGDH-UHFFFAOYSA-N 0 1 382.258 2.785 20 0 GFADMN COc1nc(C)c(Br)cc1C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829070818 660580586 /nfs/dbraw/zinc/58/05/86/660580586.db2.gz JHBSLFCMLSBCSK-UHFFFAOYSA-N 0 1 391.269 2.962 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)CCc1ccc(Br)cc1 ZINC000829266764 660586910 /nfs/dbraw/zinc/58/69/10/660586910.db2.gz MWEBNNKJPCKPRJ-UHFFFAOYSA-N 0 1 395.341 2.953 20 0 GFADMN CN(CCN1CC2(C1)CCOCC2)C(=O)c1c(F)cccc1Br ZINC000829266160 660587088 /nfs/dbraw/zinc/58/70/88/660587088.db2.gz HFFHZIRPHXOKPK-UHFFFAOYSA-N 0 1 385.277 2.773 20 0 GFADMN CN(C[C@@]1(O)CCc2ccccc21)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000829365593 660590161 /nfs/dbraw/zinc/59/01/61/660590161.db2.gz IWSCJUSEKJLVRO-MJGOQNOKSA-N 0 1 389.293 2.741 20 0 GFADMN Cc1cc(NC(=O)C2CCN([C@H]3CCSC3)CC2)cc(S(C)(=O)=O)c1 ZINC000829651309 660605437 /nfs/dbraw/zinc/60/54/37/660605437.db2.gz IDFZTZOLTVEVMA-INIZCTEOSA-N 0 1 382.551 2.555 20 0 GFADMN Cc1ccc(N2CC[NH+]=C2[O-])cc1NC(=O)c1sc(N(C)C)nc1Cl ZINC000830704871 660674768 /nfs/dbraw/zinc/67/47/68/660674768.db2.gz XHXJZKVMGYTEIF-UHFFFAOYSA-N 0 1 379.873 2.953 20 0 GFADMN Cc1sc(CC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)nc1C(C)C ZINC000830800896 660680738 /nfs/dbraw/zinc/68/07/38/660680738.db2.gz CAJLMJXMAISNBU-OAHLLOKOSA-N 0 1 377.432 2.787 20 0 GFADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc(Br)n(C)n3)cccc21 ZINC000830818316 660681671 /nfs/dbraw/zinc/68/16/71/660681671.db2.gz OBMOLAAAVKXWCY-ZDUSSCGKSA-N 0 1 379.258 2.820 20 0 GFADMN O=C(NCC1CN(C(=O)c2ccc(Br)cc2Cl)C1)C(F)(F)F ZINC000831149651 660699850 /nfs/dbraw/zinc/69/98/50/660699850.db2.gz VJISMAQLLBYBFH-UHFFFAOYSA-N 0 1 399.594 2.853 20 0 GFADMN CC(C)(C)c1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc(Cl)n1 ZINC000831112015 660696683 /nfs/dbraw/zinc/69/66/83/660696683.db2.gz GGPGURLBSNFKHA-UHFFFAOYSA-N 0 1 377.794 2.783 20 0 GFADMN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc(Br)n[nH]1 ZINC000831544448 660712420 /nfs/dbraw/zinc/71/24/20/660712420.db2.gz WSRJMJCLVDMZRK-UHFFFAOYSA-N 0 1 392.257 2.514 20 0 GFADMN C[C@H]1[C@H](C)N(C(=O)c2cc(Br)[nH]n2)CCN1C(=O)OC(C)(C)C ZINC000831745987 660724507 /nfs/dbraw/zinc/72/45/07/660724507.db2.gz NEQMFCPVSBFVFD-UWVGGRQHSA-N 0 1 387.278 2.642 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F 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C[C@@H](CCNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@@](C)=O ZINC000835045300 660839441 /nfs/dbraw/zinc/83/94/41/660839441.db2.gz UIBHQGYNKZBICS-UOXLDJKESA-N 0 1 387.571 2.683 20 0 GFADMN C[C@H](CCNCc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)[S@](C)=O ZINC000835045303 660839459 /nfs/dbraw/zinc/83/94/59/660839459.db2.gz UIBHQGYNKZBICS-YDBLSZJJSA-N 0 1 387.571 2.683 20 0 GFADMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000007362291 654469815 /nfs/dbraw/zinc/46/98/15/654469815.db2.gz VEYPZPLWNFBYSM-UHFFFAOYSA-N 0 1 382.825 2.886 20 0 GFADMN CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000021261648 654526191 /nfs/dbraw/zinc/52/61/91/654526191.db2.gz SIHWQMKNCMAOBY-QMMMGPOBSA-N 0 1 398.286 2.561 20 0 GFADMN C[C@@]1(CCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1(Cl)Cl ZINC000836916456 660956242 /nfs/dbraw/zinc/95/62/42/660956242.db2.gz RDGVEGUXSARWCF-OAHLLOKOSA-N 0 1 386.304 2.775 20 0 GFADMN C[C@H]1C[C@@H](NC(=O)c2cccc(I)c2O)c2nccn21 ZINC000836952367 660958654 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20 0 GFADMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000122403192 654735763 /nfs/dbraw/zinc/73/57/63/654735763.db2.gz AHAVMKPEKIQTPN-OAHLLOKOSA-N 0 1 384.567 2.535 20 0 GFADMN C[C@H](CS(=O)(=O)c1ccccc1)NCCNC(=O)c1ccccc1Cl ZINC000122932813 654747521 /nfs/dbraw/zinc/74/75/21/654747521.db2.gz UVHWQHKZYJQMFP-CQSZACIVSA-N 0 1 380.897 2.522 20 0 GFADMN C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC[C@@H]1C ZINC000122990686 654749499 /nfs/dbraw/zinc/74/94/99/654749499.db2.gz HAWQCFVTRZPHTR-STQMWFEESA-N 0 1 387.933 2.507 20 0 GFADMN CN(CCC(=O)Nc1ccccc1C(F)(F)F)CC(C)(C)S(C)(=O)=O ZINC000123610484 654760014 /nfs/dbraw/zinc/76/00/14/654760014.db2.gz YNKFGPKLMHEKMS-UHFFFAOYSA-N 0 1 380.432 2.789 20 0 GFADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000124051068 654769937 /nfs/dbraw/zinc/76/99/37/654769937.db2.gz NJZYEENZFZQCMM-UHFFFAOYSA-N 0 1 382.869 2.916 20 0 GFADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000055574827 654777661 /nfs/dbraw/zinc/77/76/61/654777661.db2.gz QUDBUXLFLBDHFL-UHFFFAOYSA-N 0 1 376.459 2.748 20 0 GFADMN COc1c(Cl)cccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000057123466 654801363 /nfs/dbraw/zinc/80/13/63/654801363.db2.gz DBOHULWFBGYVGC-UHFFFAOYSA-N 0 1 375.855 2.553 20 0 GFADMN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN(CC(C)(C)O)CC1 ZINC000126024837 654807010 /nfs/dbraw/zinc/80/70/10/654807010.db2.gz KODAESWZQJVRAT-HNNXBMFYSA-N 0 1 375.296 2.596 20 0 GFADMN CCN1CCC(N(C)S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000126362914 654813158 /nfs/dbraw/zinc/81/31/58/654813158.db2.gz FYOWAKZZZSWKFJ-UHFFFAOYSA-N 0 1 375.332 2.862 20 0 GFADMN CN1CCN(c2ncc(I)cn2)[C@H](c2ccccc2)C1 ZINC000126997484 654823195 /nfs/dbraw/zinc/82/31/95/654823195.db2.gz OLEDUYWNYTURCZ-AWEZNQCLSA-N 0 1 380.233 2.574 20 0 GFADMN O=C(NCC1CC1)[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000127190614 654825929 /nfs/dbraw/zinc/82/59/29/654825929.db2.gz IZBPNCWTLWJPNZ-DOTOQJQBSA-N 0 1 381.314 2.721 20 0 GFADMN O=C1CCC(=O)N1Cc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000063443588 654852780 /nfs/dbraw/zinc/85/27/80/654852780.db2.gz JHTVWLRUUKXSAQ-UHFFFAOYSA-N 0 1 378.837 2.790 20 0 GFADMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000266181536 654861029 /nfs/dbraw/zinc/86/10/29/654861029.db2.gz YUFTYZNQJWQYTO-OAGGEKHMSA-N 0 1 384.307 2.553 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000129503368 654865060 /nfs/dbraw/zinc/86/50/60/654865060.db2.gz NVJRRJQFKDDGTB-KGLIPLIRSA-N 0 1 392.301 2.937 20 0 GFADMN FC(F)(F)COCCCN1CCN(C(=S)NCc2ccccc2)CC1 ZINC000066010734 654892803 /nfs/dbraw/zinc/89/28/03/654892803.db2.gz UWSVDSNJCGUNCQ-UHFFFAOYSA-N 0 1 375.460 2.648 20 0 GFADMN Cc1c(Br)cccc1CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000131160972 654897183 /nfs/dbraw/zinc/89/71/83/654897183.db2.gz MGHXIZHYGPAXFT-UHFFFAOYSA-N 0 1 394.357 2.888 20 0 GFADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(Br)nc1 ZINC000266893910 654898103 /nfs/dbraw/zinc/89/81/03/654898103.db2.gz BQQDXCWRCOZJEF-UHFFFAOYSA-N 0 1 375.270 2.634 20 0 GFADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CCCS1(=O)=O ZINC000131678260 654913321 /nfs/dbraw/zinc/91/33/21/654913321.db2.gz HLVZATVYGZUBKE-KRWDZBQOSA-N 0 1 381.929 2.868 20 0 GFADMN O=S1(=O)CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000131744450 654916486 /nfs/dbraw/zinc/91/64/86/654916486.db2.gz CYSHPCUYAQRNQB-QGZVFWFLSA-N 0 1 380.897 2.981 20 0 GFADMN CN1CCN(c2ccc(NC(=O)c3ccc(Br)c(F)c3)cn2)CC1 ZINC000067143066 654931405 /nfs/dbraw/zinc/93/14/05/654931405.db2.gz ATVBJMPXZWAKDM-UHFFFAOYSA-N 0 1 393.260 2.987 20 0 GFADMN NC(=O)c1cc([C@H]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)n[nH]1 ZINC000267535487 654933396 /nfs/dbraw/zinc/93/33/96/654933396.db2.gz YFSUZKMFIHITTJ-QMMMGPOBSA-N 0 1 383.235 2.541 20 0 GFADMN Cc1cc(CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)[nH]n1 ZINC000132644135 654944558 /nfs/dbraw/zinc/94/45/58/654944558.db2.gz VCSPXSGYOWGGKP-UHFFFAOYSA-N 0 1 392.297 2.888 20 0 GFADMN CC(C)c1n[nH]c(C(=O)NNC(=O)CCOc2ccccc2)c1Br ZINC000068323003 654959751 /nfs/dbraw/zinc/95/97/51/654959751.db2.gz NMPGKGOOBNVXMR-UHFFFAOYSA-N 0 1 395.257 2.526 20 0 GFADMN Cc1c([C@@H](C)NCCn2ccnc2)nnn1-c1cccc(Br)c1 ZINC000268699978 654983305 /nfs/dbraw/zinc/98/33/05/654983305.db2.gz AXBGSMRGXOLESU-GFCCVEGCSA-N 0 1 375.274 2.886 20 0 GFADMN Cc1oc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1S(N)(=O)=O ZINC000134252201 654988305 /nfs/dbraw/zinc/98/83/05/654988305.db2.gz CKENKGDNMGOKLN-UHFFFAOYSA-N 0 1 398.853 2.660 20 0 GFADMN O=C(CN1CCN(CCCCCCO)CC1)Nc1ccc(Br)cc1 ZINC000268889547 654990308 /nfs/dbraw/zinc/99/03/08/654990308.db2.gz MDDHRYVKGWLIEA-UHFFFAOYSA-N 0 1 398.345 2.558 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN(C)[C@H](CO)C(C)(C)C ZINC000134384561 654992890 /nfs/dbraw/zinc/99/28/90/654992890.db2.gz DFKFQEGLIOXDJU-CYBMUJFWSA-N 0 1 377.348 2.808 20 0 GFADMN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269020812 654995566 /nfs/dbraw/zinc/99/55/66/654995566.db2.gz VBWKVWBCBAJRNL-GFCCVEGCSA-N 0 1 397.660 2.958 20 0 GFADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc(Cl)c3N(C)C)cc12 ZINC000072058317 655002822 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/nfs/dbraw/zinc/47/10/26/663471026.db2.gz RLNNKOMVMUHNSS-NWDGAFQWSA-N 0 1 381.299 2.850 20 0 GFADMN CSCc1n[nH]c(CNC(=O)[C@@H](C)Oc2ccccc2Br)n1 ZINC000894609280 663472083 /nfs/dbraw/zinc/47/20/83/663472083.db2.gz PQJRSIRAJIJLST-SECBINFHSA-N 0 1 385.287 2.514 20 0 GFADMN CSCc1nnc(CNC(=O)[C@@H](C)Oc2ccccc2Br)[nH]1 ZINC000894609280 663472084 /nfs/dbraw/zinc/47/20/84/663472084.db2.gz PQJRSIRAJIJLST-SECBINFHSA-N 0 1 385.287 2.514 20 0 GFADMN COC(=O)c1ccc(CNCC2(S(C)(=O)=O)CCC2)c(C(F)(F)F)c1 ZINC000894611758 663472234 /nfs/dbraw/zinc/47/22/34/663472234.db2.gz SEEAZVPCUOESTK-UHFFFAOYSA-N 0 1 379.400 2.549 20 0 GFADMN C[C@H](NCc1nc(-c2ccc(Br)cc2)c[nH]1)C1N=NC(=O)N1C ZINC000895181636 663502078 /nfs/dbraw/zinc/50/20/78/663502078.db2.gz SZMUIXHTABRRPJ-VIFPVBQESA-N 0 1 377.246 2.524 20 0 GFADMN CCOC(=O)C1(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCOCC1 ZINC000895316050 663507901 /nfs/dbraw/zinc/50/79/01/663507901.db2.gz HCMCEYMAIGNDDY-UHFFFAOYSA-N 0 1 396.241 2.624 20 0 GFADMN Cn1nc(Br)nc1CN[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000895417238 663513302 /nfs/dbraw/zinc/51/33/02/663513302.db2.gz UWMLVVPSDNNJEF-ZWKOPEQDSA-N 0 1 398.102 2.768 20 0 GFADMN O=C1NCC2(CCOCC2)[C@@H]1NCc1cc2cc(Br)ccc2o1 ZINC000895765578 663526681 /nfs/dbraw/zinc/52/66/81/663526681.db2.gz MPRVXTFUBAEWMF-OAHLLOKOSA-N 0 1 379.254 2.580 20 0 GFADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837165 663529663 /nfs/dbraw/zinc/52/96/63/663529663.db2.gz RRMQRQSUMDYDLM-YGRLFVJLSA-N 0 1 376.366 2.782 20 0 GFADMN C[C@@]1([C@H]2CCCN(Cc3cn4ccc(Br)cc4n3)C2)COC(=O)N1 ZINC000896393612 663554893 /nfs/dbraw/zinc/55/48/93/663554893.db2.gz JJTOEZDEODDMQY-SJCJKPOMSA-N 0 1 393.285 2.807 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896566314 663565026 /nfs/dbraw/zinc/56/50/26/663565026.db2.gz YJWIICUGQFBKQW-YXJHDRRASA-N 0 1 396.373 2.768 20 0 GFADMN C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1CN(C)CCN1C ZINC000896579666 663565968 /nfs/dbraw/zinc/56/59/68/663565968.db2.gz IDEQEORBCVMUQQ-CZUORRHYSA-N 0 1 388.339 2.903 20 0 GFADMN C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)[C@@H]1CN(C)CCN1C ZINC000896582822 663566558 /nfs/dbraw/zinc/56/65/58/663566558.db2.gz VMWVXCPGISNPHB-YOEHRIQHSA-N 0 1 379.595 2.919 20 0 GFADMN COc1cc2nccc(N[C@@H]3CCc4nnn(C)c4C3)c2cc1Br ZINC000896674808 663571227 /nfs/dbraw/zinc/57/12/27/663571227.db2.gz RTVIQYOIACZAJW-SNVBAGLBSA-N 0 1 388.269 2.526 20 0 GFADMN CCCc1cnc(NC(=O)c2c(C)n[nH]c2I)s1 ZINC000897311456 663600288 /nfs/dbraw/zinc/60/02/88/663600288.db2.gz CLLHMRQFWDXZHZ-UHFFFAOYSA-N 0 1 376.223 2.984 20 0 GFADMN Cc1n[nH]c(I)c1C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000897380402 663603447 /nfs/dbraw/zinc/60/34/47/663603447.db2.gz HMIQBFHKUATVLI-SKDRFNHKSA-N 0 1 396.232 2.941 20 0 GFADMN CC(C)(C)OC(=O)N1CC[C@](O)(CNCc2occc2Br)C1 ZINC000897692655 663615861 /nfs/dbraw/zinc/61/58/61/663615861.db2.gz ZLUHGLCFERGIHT-HNNXBMFYSA-N 0 1 375.263 2.504 20 0 GFADMN CO[C@@H]1CCOC[C@H]1NCc1cc(Br)cc(Br)c1N ZINC000897890041 663624369 /nfs/dbraw/zinc/62/43/69/663624369.db2.gz FQNTYNPAXCUHRK-VXGBXAGGSA-N 0 1 394.107 2.687 20 0 GFADMN O=C1Nc2ncc(Br)cc2C[C@H]1NCc1cccc2c1NCCC2 ZINC000897977133 663627688 /nfs/dbraw/zinc/62/76/88/663627688.db2.gz BUCZDACKTWSIPY-OAHLLOKOSA-N 0 1 387.281 2.855 20 0 GFADMN CCOC(=O)c1ccc(CN[C@@](C)(CO)c2cccc(Br)c2)[nH]1 ZINC000898168936 663637004 /nfs/dbraw/zinc/63/70/04/663637004.db2.gz UTCPVBDTDNMQBC-KRWDZBQOSA-N 0 1 381.270 2.951 20 0 GFADMN O=C(NCc1nnc([C@H]2CCOC2)[nH]1)c1cc(Br)ccc1Cl ZINC000898849163 663665800 /nfs/dbraw/zinc/66/58/00/663665800.db2.gz CSBWCUCBDYOZLX-QMMMGPOBSA-N 0 1 385.649 2.655 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCOC2)n1)c1cc(Br)ccc1Cl ZINC000898849163 663665803 /nfs/dbraw/zinc/66/58/03/663665803.db2.gz CSBWCUCBDYOZLX-QMMMGPOBSA-N 0 1 385.649 2.655 20 0 GFADMN Cc1cc(C)c(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)c(C)c1Br ZINC000898863945 663667133 /nfs/dbraw/zinc/66/71/33/663667133.db2.gz OEKXBOVWEMOPQQ-LBPRGKRZSA-N 0 1 393.285 2.926 20 0 GFADMN Cc1cc(C)c(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)c(C)c1Br ZINC000898863945 663667135 /nfs/dbraw/zinc/66/71/35/663667135.db2.gz OEKXBOVWEMOPQQ-LBPRGKRZSA-N 0 1 393.285 2.926 20 0 GFADMN O=C(NCc1cc2cc(Br)ccc2o1)C1CN([C@H]2CCOC2)C1 ZINC000899211018 663679989 /nfs/dbraw/zinc/67/99/89/663679989.db2.gz KZFFSMDMWDCLOB-AWEZNQCLSA-N 0 1 379.254 2.532 20 0 GFADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000899393565 663685307 /nfs/dbraw/zinc/68/53/07/663685307.db2.gz LYDBBCHVVOKHJV-FRRDWIJNSA-N 0 1 376.254 2.682 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899628737 663696766 /nfs/dbraw/zinc/69/67/66/663696766.db2.gz MQBSDYVEPBANPL-ZBEGNZNMSA-N 0 1 391.265 2.932 20 0 GFADMN CCn1c(Br)ncc1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000900071388 663707574 /nfs/dbraw/zinc/70/75/74/663707574.db2.gz LZILHWLPNUPRRO-UHFFFAOYSA-N 0 1 392.301 2.670 20 0 GFADMN Cc1cccc(Cn2cc(C[NH+]3CCC(C(=O)[O-])CC3)nn2)c1Br ZINC000900608121 663718008 /nfs/dbraw/zinc/71/80/08/663718008.db2.gz RUUJJIQZISZSNM-UHFFFAOYSA-N 0 1 393.285 2.694 20 0 GFADMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901428581 663735639 /nfs/dbraw/zinc/73/56/39/663735639.db2.gz IHUGBYHIMKKVJC-ZDUSSCGKSA-N 0 1 383.286 2.886 20 0 GFADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000901523618 663737189 /nfs/dbraw/zinc/73/71/89/663737189.db2.gz XNYZVRCTVOFMOZ-LBPRGKRZSA-N 0 1 381.274 2.815 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)C(=O)[O-] ZINC000901542015 663737503 /nfs/dbraw/zinc/73/75/03/663737503.db2.gz FWXJFKDQIAVFIF-FZKQIMNGSA-N 0 1 397.313 2.828 20 0 GFADMN C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1Br ZINC000901613643 663739412 /nfs/dbraw/zinc/73/94/12/663739412.db2.gz NNGGKMKCNPEDIS-GXTWGEPZSA-N 0 1 399.285 2.719 20 0 GFADMN COc1ccc(NS(=O)(=O)N=S(C)(C)=O)c(OCc2ccccc2)c1 ZINC000901661441 663740995 /nfs/dbraw/zinc/74/09/95/663740995.db2.gz IDVDIUBWINHDRN-UHFFFAOYSA-N 0 1 384.479 2.659 20 0 GFADMN O=C([O-])CC[N@H+](Cc1cn2ccc(Br)cc2n1)C[C@@H]1CCCO1 ZINC000901678251 663741623 /nfs/dbraw/zinc/74/16/23/663741623.db2.gz OMFKLRZODGMLIY-AWEZNQCLSA-N 0 1 382.258 2.553 20 0 GFADMN CCn1cc(Cl)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 ZINC000901716738 663743260 /nfs/dbraw/zinc/74/32/60/663743260.db2.gz PSTOXGIVQDTZOQ-UHFFFAOYSA-N 0 1 384.767 2.693 20 0 GFADMN O=C([O-])c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c(Br)c1 ZINC000901781251 663746063 /nfs/dbraw/zinc/74/60/63/663746063.db2.gz DSYBLDBCASAXFG-UHFFFAOYSA-N 0 1 391.269 2.827 20 0 GFADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000901790669 663746262 /nfs/dbraw/zinc/74/62/62/663746262.db2.gz ZFZFXBRISNWIEM-ZDUSSCGKSA-N 0 1 392.175 2.936 20 0 GFADMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000901790669 663746263 /nfs/dbraw/zinc/74/62/63/663746263.db2.gz ZFZFXBRISNWIEM-ZDUSSCGKSA-N 0 1 392.175 2.936 20 0 GFADMN COCCOc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)cc1Cl ZINC000901865741 663748545 /nfs/dbraw/zinc/74/85/45/663748545.db2.gz AIMDLKIGZQUWSV-UHFFFAOYSA-N 0 1 385.873 2.699 20 0 GFADMN Cn1cc(CCC[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000901896828 663749887 /nfs/dbraw/zinc/74/98/87/663749887.db2.gz KBRKIGZGWDLFJZ-SJORKVTESA-N 0 1 392.297 2.915 20 0 GFADMN O=C([O-])[C@]12C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C[C@H]1COCC2 ZINC000901950419 663752044 /nfs/dbraw/zinc/75/20/44/663752044.db2.gz VVSIUWMHSKNFPU-KBXCAEBGSA-N 0 1 394.265 2.648 20 0 GFADMN Nc1c(Br)cc(Br)cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901974996 663752775 /nfs/dbraw/zinc/75/27/75/663752775.db2.gz LYAAHGGTZAEVHH-UHFFFAOYSA-N 0 1 378.064 2.843 20 0 GFADMN CO[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C(=O)[O-])C1 ZINC000902032169 663754292 /nfs/dbraw/zinc/75/42/92/663754292.db2.gz KWCDFCSMPFJQAA-JKSUJKDBSA-N 0 1 394.269 2.699 20 0 GFADMN Cc1oc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1C(=O)[O-] ZINC000902364846 663760321 /nfs/dbraw/zinc/76/03/21/663760321.db2.gz NIUQRYQBFZMCBF-OAHLLOKOSA-N 0 1 393.237 2.944 20 0 GFADMN COC(=O)[C@@H]1CC[C@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000903128667 663775112 /nfs/dbraw/zinc/77/51/12/663775112.db2.gz GONWJSWLEUIXSN-BBBLOLIVSA-N 0 1 395.308 2.633 20 0 GFADMN CN(C)S(=O)(=O)Cc1ccc(CN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000903173027 663776999 /nfs/dbraw/zinc/77/69/99/663776999.db2.gz JISYILVLFABURK-MRXNPFEDSA-N 0 1 379.913 2.904 20 0 GFADMN O=S(=O)(CCN[C@H](c1ccccc1F)C1CCOCC1)CC(F)(F)F ZINC000903201523 663778265 /nfs/dbraw/zinc/77/82/65/663778265.db2.gz YQAJLPAWAKADKK-HNNXBMFYSA-N 0 1 383.407 2.860 20 0 GFADMN Cc1cc(S(=O)(=O)N2CCC(N3CCC3)CC2)c(F)cc1Br ZINC000903204836 663778405 /nfs/dbraw/zinc/77/84/05/663778405.db2.gz ZSPANJFHBAVWOW-UHFFFAOYSA-N 0 1 391.306 2.755 20 0 GFADMN CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C(C)C)nc3)cc2C1 ZINC000903248658 663780443 /nfs/dbraw/zinc/78/04/43/663780443.db2.gz KUUBCWUOSZYJBJ-UHFFFAOYSA-N 0 1 379.507 2.972 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(Br)cc1C)C[C@@H]2C(=O)[O-] ZINC000903417466 663784137 /nfs/dbraw/zinc/78/41/37/663784137.db2.gz VKWXCFGCXOFODU-NSWWBONSSA-N 0 1 396.281 2.843 20 0 GFADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1c1ccc(Br)cc1 ZINC000903604021 663791250 /nfs/dbraw/zinc/79/12/50/663791250.db2.gz ZSRPLBSUJMROHU-KMANFZQXSA-N 0 1 380.282 2.976 20 0 GFADMN O=C([O-])c1cnc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)s1 ZINC000903926395 663811927 /nfs/dbraw/zinc/81/19/27/663811927.db2.gz BWDLOGDCTJAFTJ-DGCLKSJQSA-N 0 1 382.869 2.724 20 0 GFADMN CCOc1ccc(Br)cc1NC(=O)N1CCNC[C@H]1CCOC ZINC000904332471 663830792 /nfs/dbraw/zinc/83/07/92/663830792.db2.gz PFZOWEKNFOZYOL-CYBMUJFWSA-N 0 1 386.290 2.690 20 0 GFADMN COc1ccc(S(=O)(=O)Cc2n[nH]c(C(C)(C)C)n2)cc1Br ZINC000905300235 663864785 /nfs/dbraw/zinc/86/47/85/663864785.db2.gz UKLOKASFWNQNPV-UHFFFAOYSA-N 0 1 388.287 2.847 20 0 GFADMN Cc1nc(CNc2ccc(N3CCN(C)CC3)cn2)sc1Br ZINC000905408062 663870298 /nfs/dbraw/zinc/87/02/98/663870298.db2.gz NADCJSTUGPOIDD-UHFFFAOYSA-N 0 1 382.331 2.973 20 0 GFADMN CSCc1n[nH]c(CNC(=S)NCc2cccc(C(F)(F)F)c2)n1 ZINC000905583929 663879724 /nfs/dbraw/zinc/87/97/24/663879724.db2.gz TYZMRKWMFQAOIQ-UHFFFAOYSA-N 0 1 375.445 2.851 20 0 GFADMN CSCc1nnc(CNC(=S)NCc2cccc(C(F)(F)F)c2)[nH]1 ZINC000905583929 663879727 /nfs/dbraw/zinc/87/97/27/663879727.db2.gz TYZMRKWMFQAOIQ-UHFFFAOYSA-N 0 1 375.445 2.851 20 0 GFADMN Cn1c2ccc(NS(=O)(=O)N=S3(=O)CCCC3)cc2nc1C(C)(C)C ZINC000906059873 663916598 /nfs/dbraw/zinc/91/65/98/663916598.db2.gz BNRDJYLSMFVBDO-UHFFFAOYSA-N 0 1 384.527 2.789 20 0 GFADMN CC[S@](C)(=O)=NS(=O)(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000906073265 663921744 /nfs/dbraw/zinc/92/17/44/663921744.db2.gz QDSMJJUMUQWURZ-QHCPKHFHSA-N 0 1 387.449 2.541 20 0 GFADMN CN1CCC[C@H]1CNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000906677515 663964813 /nfs/dbraw/zinc/96/48/13/663964813.db2.gz ZOSQBOWJQWNVOG-LBPRGKRZSA-N 0 1 383.315 2.579 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)oc1Cl ZINC000907101285 664001787 /nfs/dbraw/zinc/00/17/87/664001787.db2.gz 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ZINC000574725942 564686646 /nfs/dbraw/zinc/68/66/46/564686646.db2.gz RUQHFQHGJIIOGT-UHFFFAOYSA-N 0 1 379.251 2.968 20 0 GFADMN C[C@](O)(CNCc1csc(-c2ccc(Cl)cc2)n1)CN1CCOCC1 ZINC000525182054 564694940 /nfs/dbraw/zinc/69/49/40/564694940.db2.gz VDMIZCJOKGFYKA-SFHVURJKSA-N 0 1 381.929 2.636 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)NCCc2ccc(Br)cc2)n[nH]1 ZINC000458404216 564700726 /nfs/dbraw/zinc/70/07/26/564700726.db2.gz SSWCUFBYQNVJLA-UHFFFAOYSA-N 0 1 380.290 2.907 20 0 GFADMN CS[C@@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000458440173 564701444 /nfs/dbraw/zinc/70/14/44/564701444.db2.gz WTCHGHPCSJXWLF-GFCCVEGCSA-N 0 1 396.314 2.881 20 0 GFADMN CS[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000458440173 564701446 /nfs/dbraw/zinc/70/14/46/564701446.db2.gz WTCHGHPCSJXWLF-GFCCVEGCSA-N 0 1 396.314 2.881 20 0 GFADMN CCOC(=O)CC[C@@H](C)NC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458601310 564707414 /nfs/dbraw/zinc/70/74/14/564707414.db2.gz VWBJAORYVLSBGH-SNVBAGLBSA-N 0 1 397.273 2.856 20 0 GFADMN CCc1nc(CNC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)n[nH]1 ZINC000458626870 564708815 /nfs/dbraw/zinc/70/88/15/564708815.db2.gz QAWCBJDGTLPZKC-ZUZCIYMTSA-N 0 1 396.289 2.705 20 0 GFADMN CCc1nc(CNC(=O)NCCc2c[nH]c3ccc(Br)cc23)n[nH]1 ZINC000458646084 564709684 /nfs/dbraw/zinc/70/96/84/564709684.db2.gz KZTULBZYNITSDR-UHFFFAOYSA-N 0 1 391.273 2.653 20 0 GFADMN C[C@H]1NC(=O)N(CCN(C)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000576802286 564719571 /nfs/dbraw/zinc/71/95/71/564719571.db2.gz QJKWIERNSIAPMC-MFKMUULPSA-N 0 1 398.326 2.858 20 0 GFADMN O=C(NCCN1CCCOCC1)N(Cc1cccc(Br)c1)C1CC1 ZINC000458853959 564720795 /nfs/dbraw/zinc/72/07/95/564720795.db2.gz WRCCZWVBCRTPOC-UHFFFAOYSA-N 0 1 396.329 2.845 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc(Br)cc2cccnc21)N1CCCC1 ZINC000553450101 564721649 /nfs/dbraw/zinc/72/16/49/564721649.db2.gz NHEKCYHJKYFEDR-GFCCVEGCSA-N 0 1 398.326 2.760 20 0 GFADMN COC(=O)CCCc1nnc(NC(=O)c2ncsc2C(F)(F)F)s1 ZINC000526926981 564722391 /nfs/dbraw/zinc/72/23/91/564722391.db2.gz 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/nfs/dbraw/zinc/73/51/15/564735115.db2.gz UXJLGTUYKDVBOK-OAHLLOKOSA-N 0 1 386.277 2.632 20 0 GFADMN CC(C)[C@H](O)C1(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000459193594 564735529 /nfs/dbraw/zinc/73/55/29/564735529.db2.gz FTADNBRKRXSLRZ-HNNXBMFYSA-N 0 1 395.301 2.922 20 0 GFADMN CC[C@]1(CO)CCCN1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459221944 564736652 /nfs/dbraw/zinc/73/66/52/564736652.db2.gz UMWSQSPRDDELBY-MRXNPFEDSA-N 0 1 381.274 2.772 20 0 GFADMN CCc1nc([C@H](C)NC(=O)NCc2nc3c(cccc3Br)[nH]2)n[nH]1 ZINC000459222856 564737843 /nfs/dbraw/zinc/73/78/43/564737843.db2.gz VLGYYNOCQQFENB-QMMMGPOBSA-N 0 1 392.261 2.566 20 0 GFADMN Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000553831309 564738916 /nfs/dbraw/zinc/73/89/16/564738916.db2.gz WRDJUUSJSNRDAE-LLVKDONJSA-N 0 1 391.823 2.645 20 0 GFADMN Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])nnn1C1CC[NH2+]CC1 ZINC000578067795 564740113 /nfs/dbraw/zinc/74/01/13/564740113.db2.gz AZHTUQGZRVHCKO-UHFFFAOYSA-N 0 1 394.273 2.540 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N(CC)CC)s2)[C@@H]1SC ZINC000459394210 564742403 /nfs/dbraw/zinc/74/24/03/564742403.db2.gz ZNUGBAMDHHPUGI-LZWOXQAQSA-N 0 1 392.612 2.777 20 0 GFADMN COC[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccco1 ZINC000489548921 564743869 /nfs/dbraw/zinc/74/38/69/564743869.db2.gz HALRTIMNAMNKHW-VIFPVBQESA-N 0 1 383.319 2.983 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H]1CCc2c1cccc2Br ZINC000579206168 564745420 /nfs/dbraw/zinc/74/54/20/564745420.db2.gz RMZCDWHOSHCNNV-ZDUSSCGKSA-N 0 1 376.258 2.931 20 0 GFADMN CN(C)S(=O)(=O)NCCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000459534658 564749623 /nfs/dbraw/zinc/74/96/23/564749623.db2.gz IROSOKROGOLUDY-UHFFFAOYSA-N 0 1 383.901 2.618 20 0 GFADMN O=S1(=O)CCC[C@@H](CN[C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000554092989 564750176 /nfs/dbraw/zinc/75/01/76/564750176.db2.gz SDQGTIVKOSCSFO-IINYFYTJSA-N 0 1 376.291 2.990 20 0 GFADMN COCc1cc(CNC[C@H](CO)Cc2cc(Br)ccc2F)no1 ZINC000459570554 564751285 /nfs/dbraw/zinc/75/12/85/564751285.db2.gz 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CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000491207228 564788973 /nfs/dbraw/zinc/78/89/73/564788973.db2.gz JJFKBJQUTYOSNR-CQSZACIVSA-N 0 1 385.302 2.728 20 0 GFADMN O=S(=O)(NC[C@H]1CCN1C1CCCC1)c1ccccc1OC(F)(F)F ZINC000528546346 564793330 /nfs/dbraw/zinc/79/33/30/564793330.db2.gz KIQJYLXATJRCGX-CYBMUJFWSA-N 0 1 378.416 2.880 20 0 GFADMN Brc1cccc(-c2n[nH]c(-c3noc(CCc4cnccn4)n3)n2)c1 ZINC000581216829 564793620 /nfs/dbraw/zinc/79/36/20/564793620.db2.gz AHNPIQUVUWCRED-UHFFFAOYSA-N 0 1 398.224 2.859 20 0 GFADMN C[C@@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3s2)C[C@H](C)N1CCO ZINC000581234980 564794559 /nfs/dbraw/zinc/79/45/59/564794559.db2.gz ZGTQEDHMVBTCDO-BETUJISGSA-N 0 1 381.929 2.796 20 0 GFADMN Cc1nc(S(=O)(=O)N[C@@H](C)c2ncccc2F)sc1Br ZINC000528571470 564796117 /nfs/dbraw/zinc/79/61/17/564796117.db2.gz IOJNNZDOLQIUJA-LURJTMIESA-N 0 1 380.264 2.788 20 0 GFADMN CN(C)[C@H](CNc1ccc(S(=O)(=O)NCC2CC2)cn1)c1ccsc1 ZINC000461451518 564797899 /nfs/dbraw/zinc/79/78/99/564797899.db2.gz 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564810579 /nfs/dbraw/zinc/81/05/79/564810579.db2.gz WKGJJUBKNCPGCW-BXKDBHETSA-N 0 1 393.734 2.864 20 0 GFADMN Cc1nc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)n(-c2ccccc2)n1 ZINC000556036712 564811380 /nfs/dbraw/zinc/81/13/80/564811380.db2.gz DNZPQKHWGZOONE-UHFFFAOYSA-N 0 1 380.832 2.732 20 0 GFADMN O=C(CCc1cnc[nH]1)N=c1cc(-c2cc(F)cc(Br)c2)[nH][nH]1 ZINC000493971060 564814721 /nfs/dbraw/zinc/81/47/21/564814721.db2.gz JQOISSBGTACDFE-UHFFFAOYSA-N 0 1 378.205 2.695 20 0 GFADMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC(=O)Nc2cnccc21 ZINC000462085390 564818080 /nfs/dbraw/zinc/81/80/80/564818080.db2.gz RCSWUHJNTYUIHC-UHFFFAOYSA-N 0 1 398.220 2.833 20 0 GFADMN CNC(=O)c1ccc(CN(CCO)Cc2cc(Br)cs2)cc1 ZINC000494248887 564821251 /nfs/dbraw/zinc/82/12/51/564821251.db2.gz VSBFMVVOCKCFIF-UHFFFAOYSA-N 0 1 383.311 2.865 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462130102 564822193 /nfs/dbraw/zinc/82/21/93/564822193.db2.gz HZFNMKISCUVJFR-NSHDSACASA-N 0 1 379.295 2.741 20 0 GFADMN C[C@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)c1cccc(Br)c1 ZINC000462146650 564823654 /nfs/dbraw/zinc/82/36/54/564823654.db2.gz OWMAMTZWFQQGNR-LSDHHAIUSA-N 0 1 381.314 2.733 20 0 GFADMN Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2COCCN2)ccc1Br ZINC000529377436 564832982 /nfs/dbraw/zinc/83/29/82/564832982.db2.gz NXBXCODCFXJMFH-ZBFHGGJFSA-N 0 1 382.302 2.592 20 0 GFADMN O=C(NC[C@@H]1COCCN1)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000529386516 564833247 /nfs/dbraw/zinc/83/32/47/564833247.db2.gz JPDDCIOXUIAMFT-SJORKVTESA-N 0 1 396.329 2.544 20 0 GFADMN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000582165962 564833359 /nfs/dbraw/zinc/83/33/59/564833359.db2.gz FQIXCKQTAFULAQ-WDEREUQCSA-N 0 1 394.269 2.921 20 0 GFADMN O=C([O-])C[N@H+](CCc1ccc(Cl)cc1Cl)Cc1ncnn1CC(F)F ZINC000582306804 564839489 /nfs/dbraw/zinc/83/94/89/564839489.db2.gz FRRRVEVTOLAILP-UHFFFAOYSA-N 0 1 393.221 2.979 20 0 GFADMN O=C([O-])C[N@@H+](CCc1ccc(Cl)cc1Cl)Cc1ncnn1CC(F)F ZINC000582306804 564839491 /nfs/dbraw/zinc/83/94/91/564839491.db2.gz 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564895014 /nfs/dbraw/zinc/89/50/14/564895014.db2.gz BOJOWQQFCIRFNX-UHFFFAOYSA-N 0 1 388.280 2.609 20 0 GFADMN Cc1n[nH]c(SCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000530811713 564895016 /nfs/dbraw/zinc/89/50/16/564895016.db2.gz BOJOWQQFCIRFNX-UHFFFAOYSA-N 0 1 388.280 2.609 20 0 GFADMN C[C@@H](NC(=O)c1cccc(Br)c1[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000530883676 564896905 /nfs/dbraw/zinc/89/69/05/564896905.db2.gz NDYWMAJHCLLXJM-CYBMUJFWSA-N 0 1 397.313 2.918 20 0 GFADMN COC[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000558259111 564897160 /nfs/dbraw/zinc/89/71/60/564897160.db2.gz NEKDPRLFEOTIIT-INIZCTEOSA-N 0 1 386.876 2.735 20 0 GFADMN COCCCn1c(=O)[nH]nc1SCc1ccc(OC(F)F)c(OC)c1 ZINC000498463508 564899307 /nfs/dbraw/zinc/89/93/07/564899307.db2.gz WELFNOMOGGYPFE-UHFFFAOYSA-N 0 1 375.397 2.923 20 0 GFADMN O=C(c1cccc2c[nH]nc21)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000498521011 564900895 /nfs/dbraw/zinc/90/08/95/564900895.db2.gz PCXBUPGOCSFAMQ-INIZCTEOSA-N 0 1 399.248 2.639 20 0 GFADMN CCN(CC)CCS(=O)(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000583662624 564901326 /nfs/dbraw/zinc/90/13/26/564901326.db2.gz MGTTYUHLVIYFNM-UHFFFAOYSA-N 0 1 375.947 2.753 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000558472936 564902367 /nfs/dbraw/zinc/90/23/67/564902367.db2.gz RTLSGYWMDFEIBT-CABCVRRESA-N 0 1 375.332 2.566 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000558473305 564902719 /nfs/dbraw/zinc/90/27/19/564902719.db2.gz XNFRSLHIJURDHU-CYBMUJFWSA-N 0 1 394.368 2.833 20 0 GFADMN CCN1C[C@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000498572244 564902943 /nfs/dbraw/zinc/90/29/43/564902943.db2.gz YHODWALDDSHTIS-KGLIPLIRSA-N 0 1 396.329 2.510 20 0 GFADMN CCN(CC)CCN(C(=O)c1ccc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000558547553 564905410 /nfs/dbraw/zinc/90/54/10/564905410.db2.gz UVUIXRRYDOXJFL-OAHLLOKOSA-N 0 1 386.583 2.843 20 0 GFADMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(F)cc1I ZINC000498733506 564906966 /nfs/dbraw/zinc/90/69/66/564906966.db2.gz DBWRVCOTSINJAF-SNVBAGLBSA-N 0 1 376.213 2.597 20 0 GFADMN CN1CCN(C)[C@@H](CNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000531442856 564910481 /nfs/dbraw/zinc/91/04/81/564910481.db2.gz QYSKSFDWXFAPLG-IRXDYDNUSA-N 0 1 395.345 2.541 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)NC(=O)CO2 ZINC000464553809 564910415 /nfs/dbraw/zinc/91/04/15/564910415.db2.gz MFTPMBSISSXPJM-UHFFFAOYSA-N 0 1 387.193 2.909 20 0 GFADMN CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464554522 564910650 /nfs/dbraw/zinc/91/06/50/564910650.db2.gz MQEQIGHIWXCBNL-GFCCVEGCSA-N 0 1 397.298 2.966 20 0 GFADMN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000583875326 564910743 /nfs/dbraw/zinc/91/07/43/564910743.db2.gz DRNCNNZUYINTNY-VXGBXAGGSA-N 0 1 388.917 2.745 20 0 GFADMN O=C(CCNC(=O)c1ccco1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464567897 564910866 /nfs/dbraw/zinc/91/08/66/564910866.db2.gz GNIJTZTYSTUXQZ-UHFFFAOYSA-N 0 1 377.198 2.677 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000464853523 564919448 /nfs/dbraw/zinc/91/94/48/564919448.db2.gz SDHGOIVZPQXPBJ-UPJWGTAASA-N 0 1 387.933 2.505 20 0 GFADMN O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(Br)c1O ZINC000531755979 564920161 /nfs/dbraw/zinc/92/01/61/564920161.db2.gz YDVATDRQRSJBAV-LLVKDONJSA-N 0 1 381.270 2.818 20 0 GFADMN O=C(NC[C@@H]1CCCS1)c1n[nH]c2ccc(I)cc21 ZINC000465045700 564922583 /nfs/dbraw/zinc/92/25/83/564922583.db2.gz RYSINCROMRYSNU-VIFPVBQESA-N 0 1 387.246 2.793 20 0 GFADMN CCC[C@H]1CN(C(=O)Cc2cccc(Br)c2)CCN1CCOC ZINC000499439856 564927317 /nfs/dbraw/zinc/92/73/17/564927317.db2.gz FRBKOQLTXHFICV-KRWDZBQOSA-N 0 1 383.330 2.951 20 0 GFADMN O=S1(=O)CCc2cc(CNCc3cc(Cl)c4c(c3)OCCO4)ccc21 ZINC000532068045 564928134 /nfs/dbraw/zinc/92/81/34/564928134.db2.gz RMFOFSADEKRVSH-UHFFFAOYSA-N 0 1 379.865 2.731 20 0 GFADMN Cc1cc([C@H](C)NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c(C)s1 ZINC000559272663 564928555 /nfs/dbraw/zinc/92/85/55/564928555.db2.gz 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COc1cc(CNCc2n[nH]c(C3CCOCC3)n2)c(F)cc1Br ZINC000631211993 565948410 /nfs/dbraw/zinc/94/84/10/565948410.db2.gz AIHGZOCZQLDJFL-UHFFFAOYSA-N 0 1 399.264 2.899 20 0 GFADMN COC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1cccc(C(F)(F)F)c1 ZINC000605319663 565949698 /nfs/dbraw/zinc/94/96/98/565949698.db2.gz GMTXBTUNWMFGCW-CYBMUJFWSA-N 0 1 378.372 2.976 20 0 GFADMN O=C(CCCOc1ccccc1Br)NC1(c2nn[nH]n2)CCCC1 ZINC000605381644 565951110 /nfs/dbraw/zinc/95/11/10/565951110.db2.gz IPGKGCJPYLNXHV-UHFFFAOYSA-N 0 1 394.273 2.707 20 0 GFADMN O=C(NCc1n[nH]c(C2CCOCC2)n1)Nc1cccc(Br)c1 ZINC000631486581 565960107 /nfs/dbraw/zinc/96/01/07/565960107.db2.gz CFHOOVALTZXPLL-UHFFFAOYSA-N 0 1 380.246 2.783 20 0 GFADMN CCN1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C[C@H]1C ZINC000677184982 565964436 /nfs/dbraw/zinc/96/44/36/565964436.db2.gz VXUPLOPXOHVGHU-OCCSQVGLSA-N 0 1 384.307 2.899 20 0 GFADMN Cc1cn2cc([N-]S(=O)(=O)c3cc4c(cc3Cl)OCCO4)ccc2[nH+]1 ZINC000606753465 565969705 /nfs/dbraw/zinc/96/97/05/565969705.db2.gz XZBYPRLXVIRTBV-UHFFFAOYSA-N 0 1 379.825 2.868 20 0 GFADMN COc1cc([C@@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1S(C)(=O)=O ZINC000631715036 565969963 /nfs/dbraw/zinc/96/99/63/565969963.db2.gz MRNAIJBFQXJQHK-ONERCXAPSA-N 0 1 383.432 2.697 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCO[C@H](C(F)(F)F)C1 ZINC000606861259 565971882 /nfs/dbraw/zinc/97/18/82/565971882.db2.gz GTQSICQRAPNOBR-JTQLQIEISA-N 0 1 378.148 2.729 20 0 GFADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000631785018 565974565 /nfs/dbraw/zinc/97/45/65/565974565.db2.gz AIWLIKUUWRCRRH-UHFFFAOYSA-N 0 1 375.922 2.946 20 0 GFADMN O=S(=O)(c1cscc1Br)N1CC[C@@H](N2CCCCC2)C1 ZINC000631923254 565983375 /nfs/dbraw/zinc/98/33/75/565983375.db2.gz QSNHALXPABEZPI-LLVKDONJSA-N 0 1 379.345 2.760 20 0 GFADMN CN(CC(=O)N1CCc2sc(Br)cc2C1)[C@H]1CCSC1 ZINC000677921741 565988338 /nfs/dbraw/zinc/98/83/38/565988338.db2.gz CZGXFAYRNDKOJW-NSHDSACASA-N 0 1 375.357 2.833 20 0 GFADMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)Nc1ccc(F)c(Br)c1 ZINC000654012318 565991133 /nfs/dbraw/zinc/99/11/33/565991133.db2.gz WKBSTRYJWDQLTF-LLVKDONJSA-N 0 1 384.209 2.880 20 0 GFADMN COc1cc(Br)cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c1 ZINC000678014967 565993197 /nfs/dbraw/zinc/99/31/97/565993197.db2.gz JKVQUWQYLUVBJG-UHFFFAOYSA-N 0 1 399.333 2.605 20 0 GFADMN CCN(CC)[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000608226097 566008407 /nfs/dbraw/zinc/00/84/07/566008407.db2.gz OBMDSVVJNJNTJB-OAHLLOKOSA-N 0 1 384.929 2.589 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)c2ccc3cncc(Br)c3n2)n[nH]1 ZINC000632199622 566009397 /nfs/dbraw/zinc/00/93/97/566009397.db2.gz LIJZWBCWXAOBSC-MRVPVSSYSA-N 0 1 375.230 2.564 20 0 GFADMN CCN1C[C@H](C)N(C(=O)c2ccc3cncc(Br)c3n2)C[C@H]1C ZINC000632216355 566010334 /nfs/dbraw/zinc/01/03/34/566010334.db2.gz GEHDQLREMYFDEG-NEPJUHHUSA-N 0 1 377.286 2.947 20 0 GFADMN O=C(NCCNCc1nc2c(s1)CCC2)c1cccc(Br)c1 ZINC000678496707 566011828 /nfs/dbraw/zinc/01/18/28/566011828.db2.gz GJMIBSGKLHTACR-UHFFFAOYSA-N 0 1 380.311 2.914 20 0 GFADMN Cc1ccc2nc(CNC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)[nH]c2c1 ZINC000608756411 566021951 /nfs/dbraw/zinc/02/19/51/566021951.db2.gz NKIDFXACSRQVIO-UHFFFAOYSA-N 0 1 397.909 2.817 20 0 GFADMN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n[nH]1 ZINC000632394715 566028442 /nfs/dbraw/zinc/02/84/42/566028442.db2.gz XSJMULKRGCFJLP-NSHDSACASA-N 0 1 377.388 2.569 20 0 GFADMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 ZINC000632408307 566029353 /nfs/dbraw/zinc/02/93/53/566029353.db2.gz ARNQSRRBDQDGRR-UHFFFAOYSA-N 0 1 380.432 2.819 20 0 GFADMN Cc1n[nH]c(C)c1CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000632520164 566041132 /nfs/dbraw/zinc/04/11/32/566041132.db2.gz CZJDKGMDJBVNNN-UHFFFAOYSA-N 0 1 394.241 2.588 20 0 GFADMN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000609494620 566042040 /nfs/dbraw/zinc/04/20/40/566042040.db2.gz UWMBTHDVDSFRAI-UHFFFAOYSA-N 0 1 378.328 2.809 20 0 GFADMN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000655200262 566045909 /nfs/dbraw/zinc/04/59/09/566045909.db2.gz ZSJKFEKWTKWOKR-SNVBAGLBSA-N 0 1 376.158 2.711 20 0 GFADMN C[C@@H](C(=O)NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc(Br)cc1 ZINC000655231713 566047216 /nfs/dbraw/zinc/04/72/16/566047216.db2.gz MMVWGWGSBPVRIC-ZWNOBZJWSA-N 0 1 379.258 2.839 20 0 GFADMN Cc1ccc(CCC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c(Br)c1 ZINC000655245478 566048390 /nfs/dbraw/zinc/04/83/90/566048390.db2.gz YILCSQRZKCYEPZ-AWEZNQCLSA-N 0 1 393.285 2.976 20 0 GFADMN O=C(N[C@H](CCO)c1ccccc1Br)c1[nH]nc2c1CCCC2 ZINC000679826755 566053523 /nfs/dbraw/zinc/05/35/23/566053523.db2.gz PRMOTKSDJGGTQA-CQSZACIVSA-N 0 1 378.270 2.905 20 0 GFADMN O=S(=O)(NCc1n[nH]c(C2CCOCC2)n1)c1cc(Cl)sc1Cl ZINC000632646096 566054443 /nfs/dbraw/zinc/05/44/43/566054443.db2.gz BQSHPPHIZXPCDO-UHFFFAOYSA-N 0 1 397.309 2.546 20 0 GFADMN C[C@]1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCO[C@H]1C1CC1 ZINC000680109260 566063596 /nfs/dbraw/zinc/06/35/96/566063596.db2.gz YAYBQYKKFPNPTG-KBPBESRZSA-N 0 1 396.253 2.963 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)c2ccc3cncc(Br)c3n2)CCN1C ZINC000632755871 566064519 /nfs/dbraw/zinc/06/45/19/566064519.db2.gz WJZMKIKRBRVWJP-HNNXBMFYSA-N 0 1 377.286 2.805 20 0 GFADMN CCN(CCNC(=O)c1c(F)cncc1Br)CCC(F)(F)F ZINC000632756945 566064991 /nfs/dbraw/zinc/06/49/91/566064991.db2.gz NVBRYHTZKMCPGG-UHFFFAOYSA-N 0 1 386.187 2.987 20 0 GFADMN Cc1csc(-c2ccc(S(=O)(=O)N3CC[C@H]4CCN(C)C[C@H]43)cc2)n1 ZINC000655552994 566067727 /nfs/dbraw/zinc/06/77/27/566067727.db2.gz YKLMYUOSEBSVAA-RHSMWYFYSA-N 0 1 377.535 2.833 20 0 GFADMN COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC000655668911 566080404 /nfs/dbraw/zinc/08/04/04/566080404.db2.gz VJBDWEMWXNQNSA-KGLIPLIRSA-N 0 1 388.917 2.652 20 0 GFADMN Cc1nn(-c2ccccc2Cl)cc1CNCCS(=O)(=O)NC(C)(C)C ZINC000655719331 566084571 /nfs/dbraw/zinc/08/45/71/566084571.db2.gz REDSOCSZQKQWPP-UHFFFAOYSA-N 0 1 384.933 2.642 20 0 GFADMN C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)cc4c3OCC4)CC2)C1 ZINC000680933647 566087503 /nfs/dbraw/zinc/08/75/03/566087503.db2.gz BQYWCOCPTKOWBQ-GOSISDBHSA-N 0 1 394.357 2.596 20 0 GFADMN CC(C)(CNC(=O)CCc1nn[nH]n1)c1ccc(Br)cc1Cl ZINC000633209242 566089784 /nfs/dbraw/zinc/08/97/84/566089784.db2.gz WQEZNBRSUJFUFA-UHFFFAOYSA-N 0 1 386.681 2.642 20 0 GFADMN Brc1csc2cnc(N3CCN(C[C@H]4CCCO4)CC3)nc12 ZINC000656106065 566104245 /nfs/dbraw/zinc/10/42/45/566104245.db2.gz KSBTURVAVFQIJY-LLVKDONJSA-N 0 1 383.315 2.755 20 0 GFADMN O=S1(=O)CC[C@@H](N[C@@H]2CCN(CC3CC3)C2)c2cc(Br)ccc21 ZINC000681389591 566104690 /nfs/dbraw/zinc/10/46/90/566104690.db2.gz QIILBYRWUFWPIX-GDBMZVCRSA-N 0 1 399.354 2.742 20 0 GFADMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1ccsc1Br ZINC000633529100 566108468 /nfs/dbraw/zinc/10/84/68/566108468.db2.gz FNIIHIATDOHIBW-ZDUSSCGKSA-N 0 1 392.282 2.755 20 0 GFADMN O=C(Cc1ccccc1Br)N1CCc2nc[nH]c2C12CCOCC2 ZINC000633526412 566108587 /nfs/dbraw/zinc/10/85/87/566108587.db2.gz PYFZJKOGYLIOED-UHFFFAOYSA-N 0 1 390.281 2.805 20 0 GFADMN CC(C)(CC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)C1CC1 ZINC000656190467 566112917 /nfs/dbraw/zinc/11/29/17/566112917.db2.gz CKWJPXZYWIIAEE-UHFFFAOYSA-N 0 1 386.539 2.579 20 0 GFADMN Brc1cnc2c(c1)nccc2NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000656207146 566114691 /nfs/dbraw/zinc/11/46/91/566114691.db2.gz BGEFBPPNGIOYAR-GFCCVEGCSA-N 0 1 375.230 2.974 20 0 GFADMN Cc1cc(I)cnc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000611210663 566120915 /nfs/dbraw/zinc/12/09/15/566120915.db2.gz FEPVVEYDNXDBPW-UHFFFAOYSA-N 0 1 379.161 2.518 20 0 GFADMN COC(=O)[C@H](NC(=O)c1cccc(Br)c1O)c1ccccc1F ZINC000611282355 566124004 /nfs/dbraw/zinc/12/40/04/566124004.db2.gz MWMIEDDLMQCPDW-CYBMUJFWSA-N 0 1 382.185 2.938 20 0 GFADMN Cc1nnc(SCCC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)[nH]1 ZINC000633780922 566124753 /nfs/dbraw/zinc/12/47/53/566124753.db2.gz JKLTVDFPKLBECO-BYCMXARLSA-N 0 1 393.310 2.812 20 0 GFADMN C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@@H]1CCCCO1 ZINC000611479338 566132902 /nfs/dbraw/zinc/13/29/02/566132902.db2.gz DWRSPTHYOALJRP-ZANVPECISA-N 0 1 399.232 2.855 20 0 GFADMN C[C@@H](NC(=O)CN1CCN(CCO)C(C)(C)C1)c1ccc(Cl)cc1Cl ZINC000682033950 566140113 /nfs/dbraw/zinc/14/01/13/566140113.db2.gz BBAISHWBLMDDBL-CYBMUJFWSA-N 0 1 388.339 2.559 20 0 GFADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000656583471 566143584 /nfs/dbraw/zinc/14/35/84/566143584.db2.gz CQIALNMDIODMME-BXUZGUMPSA-N 0 1 398.301 2.747 20 0 GFADMN C[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]nc21)Oc1ccccc1Br ZINC000611982406 566147841 /nfs/dbraw/zinc/14/78/41/566147841.db2.gz WVOOSJUMIDHSRA-WDEREUQCSA-N 0 1 379.258 2.571 20 0 GFADMN C[C@H](CNC(=O)[C@@H]1CCc2[nH]cnc2C1)Oc1ccccc1Br ZINC000611979008 566148102 /nfs/dbraw/zinc/14/81/02/566148102.db2.gz FDCGUPOULAHUSB-VXGBXAGGSA-N 0 1 378.270 2.861 20 0 GFADMN COc1cc(C)c(C)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000656633788 566151093 /nfs/dbraw/zinc/15/10/93/566151093.db2.gz HNBSEWFUNIOKNP-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(C)cc2OC)c1 ZINC000656633784 566151230 /nfs/dbraw/zinc/15/12/30/566151230.db2.gz NPVTWFBDGGZOHH-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1)N(C)C ZINC000682392896 566152582 /nfs/dbraw/zinc/15/25/82/566152582.db2.gz AVJKFYLWICFWAL-DZGCQCFKSA-N 0 1 399.329 2.915 20 0 GFADMN O=C(Cc1ccc(Br)c(Cl)c1)NCCCCN1CCOCC1 ZINC000682460338 566155008 /nfs/dbraw/zinc/15/50/08/566155008.db2.gz QINTVEZGJIHRRP-UHFFFAOYSA-N 0 1 389.721 2.874 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O)N(C)C ZINC000682552893 566163043 /nfs/dbraw/zinc/16/30/43/566163043.db2.gz PQIJGLKRACGRJE-LBPRGKRZSA-N 0 1 387.318 2.507 20 0 GFADMN O=C([O-])[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000656756035 566165421 /nfs/dbraw/zinc/16/54/21/566165421.db2.gz HANVKXFIBBZJQB-BFHYXJOUSA-N 0 1 390.224 2.973 20 0 GFADMN CC(C)(C)c1nc(CN2C(=O)N[C@H](c3ccccc3Br)C2=O)n[nH]1 ZINC000656818364 566167505 /nfs/dbraw/zinc/16/75/05/566167505.db2.gz RTMVBMHRYMJLBT-GFCCVEGCSA-N 0 1 392.257 2.658 20 0 GFADMN CCCOc1ccc(Br)cc1S(=O)(=O)NC1CCN(C)CC1 ZINC000656863547 566170488 /nfs/dbraw/zinc/17/04/88/566170488.db2.gz IEOZWHMLFIEXAJ-UHFFFAOYSA-N 0 1 391.331 2.610 20 0 GFADMN CC1CCN(CCNS(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000656875770 566172908 /nfs/dbraw/zinc/17/29/08/566172908.db2.gz IMHGGTQXBTVMAN-UHFFFAOYSA-N 0 1 393.322 2.740 20 0 GFADMN CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000612814972 566175461 /nfs/dbraw/zinc/17/54/61/566175461.db2.gz GQLBMCPKMOHODY-NSHDSACASA-N 0 1 394.273 2.526 20 0 GFADMN CCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(C)s1 ZINC000634797620 566179590 /nfs/dbraw/zinc/17/95/90/566179590.db2.gz ONHLYIPVYXZZBD-UHFFFAOYSA-N 0 1 384.479 2.624 20 0 GFADMN C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)CCN1C ZINC000656918068 566183608 /nfs/dbraw/zinc/18/36/08/566183608.db2.gz KLKQMFGYCIKAMG-JOYOIKCWSA-N 0 1 381.723 2.864 20 0 GFADMN C[C@@H](NS(=O)(=O)c1ncccc1Br)c1nc(C(C)(C)C)no1 ZINC000656922903 566184811 /nfs/dbraw/zinc/18/48/11/566184811.db2.gz MNXQMVUADJSKML-MRVPVSSYSA-N 0 1 389.275 2.564 20 0 GFADMN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)CN1C1CC1 ZINC000656930372 566185204 /nfs/dbraw/zinc/18/52/04/566185204.db2.gz LCYMHZNJTHNBNP-ZWNOBZJWSA-N 0 1 391.306 2.633 20 0 GFADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Br)CN1C1CC1 ZINC000656930369 566185727 /nfs/dbraw/zinc/18/57/27/566185727.db2.gz LCYMHZNJTHNBNP-GXFFZTMASA-N 0 1 391.306 2.633 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000635018836 566188341 /nfs/dbraw/zinc/18/83/41/566188341.db2.gz MPNWPNNMANRNGY-DIFFPNOSSA-N 0 1 389.279 2.594 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000635019219 566189570 /nfs/dbraw/zinc/18/95/70/566189570.db2.gz TUNMAGHORZPJLN-HWPZZCPQSA-N 0 1 375.252 2.744 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000635019219 566189575 /nfs/dbraw/zinc/18/95/75/566189575.db2.gz TUNMAGHORZPJLN-HWPZZCPQSA-N 0 1 375.252 2.744 20 0 GFADMN CC[C@@H](COCC1CC1)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000657056830 566214853 /nfs/dbraw/zinc/21/48/53/566214853.db2.gz BVYNCNIPWQNIAP-JTQLQIEISA-N 0 1 383.333 2.698 20 0 GFADMN Cn1nc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000635314427 566205182 /nfs/dbraw/zinc/20/51/82/566205182.db2.gz XKLYJTBEFJHQRH-AWEZNQCLSA-N 0 1 393.285 2.957 20 0 GFADMN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000635314427 566205184 /nfs/dbraw/zinc/20/51/84/566205184.db2.gz XKLYJTBEFJHQRH-AWEZNQCLSA-N 0 1 393.285 2.957 20 0 GFADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000635316273 566205392 /nfs/dbraw/zinc/20/53/92/566205392.db2.gz DYOOAPCIJNHQCL-OAHLLOKOSA-N 0 1 394.212 2.974 20 0 GFADMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000657063180 566216051 /nfs/dbraw/zinc/21/60/51/566216051.db2.gz VIEWVJNNMLYFCY-LLVKDONJSA-N 0 1 379.295 2.739 20 0 GFADMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 ZINC000186632028 570306615 /nfs/dbraw/zinc/30/66/15/570306615.db2.gz LZJLRBMRMJRAMF-UHFFFAOYSA-N 0 1 383.492 2.792 20 0 GFADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000249096666 570763341 /nfs/dbraw/zinc/76/33/41/570763341.db2.gz IJOVMZDPTHBCLN-RDBSUJKOSA-N 0 1 382.863 2.980 20 0 GFADMN Cc1ccc(C[C@@H]2CCCN2CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737335146 598834005 /nfs/dbraw/zinc/83/40/05/598834005.db2.gz QLQNHMPVJLQZIF-IBGZPJMESA-N 0 1 376.464 2.821 20 0 GFADMN C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735986960 598905600 /nfs/dbraw/zinc/90/56/00/598905600.db2.gz UVAHBPJGCXYWAI-CYBMUJFWSA-N 0 1 399.524 2.735 20 0 GFADMN Cc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1OC(F)F ZINC000737362815 598932459 /nfs/dbraw/zinc/93/24/59/598932459.db2.gz YDRNCILHIGUPCG-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN Cc1ccc([C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+]2CCCC2)o1 ZINC000737321232 598965959 /nfs/dbraw/zinc/96/59/59/598965959.db2.gz ZSIRCRLGXAYMFW-INIZCTEOSA-N 0 1 390.451 2.960 20 0 GFADMN Cc1ccc([C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)o1 ZINC000737321232 598965960 /nfs/dbraw/zinc/96/59/60/598965960.db2.gz ZSIRCRLGXAYMFW-INIZCTEOSA-N 0 1 390.451 2.960 20 0 GFADMN CN(CCc1cccc2ccccc21)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736804752 599073315 /nfs/dbraw/zinc/07/33/15/599073315.db2.gz UDRIFMSUQMMSSF-FQEVSTJZSA-N 0 1 386.459 2.721 20 0 GFADMN CN(C)[C@@H](CNc1ccc(Br)cc1-c1nn[nH]n1)c1ccco1 ZINC000736760061 599362025 /nfs/dbraw/zinc/36/20/25/599362025.db2.gz OXIDDOAVSKAXCJ-ZDUSSCGKSA-N 0 1 377.246 2.937 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1)[NH+]1CCOCC1 ZINC000818071782 597120505 /nfs/dbraw/zinc/12/05/05/597120505.db2.gz ZMXXFIVCMIUIJZ-JKSUJKDBSA-N 0 1 375.469 2.798 20 0 GFADMN CN(C)[C@@H](CNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21)c1ccco1 ZINC000736757525 599254701 /nfs/dbraw/zinc/25/47/01/599254701.db2.gz BQGRRNLDBUCLRL-HNNXBMFYSA-N 0 1 383.843 2.798 20 0 GFADMN O=C(NCc1cnc[nH]1)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC000738094126 599275844 /nfs/dbraw/zinc/27/58/44/599275844.db2.gz BNPKQHCCRBZGDR-UHFFFAOYSA-N 0 1 377.433 2.671 20 0 GFADMN CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820620751 598148740 /nfs/dbraw/zinc/14/87/40/598148740.db2.gz SNOGEFIIUGGGNF-PMACEKPBSA-N 0 1 387.524 2.794 20 0 GFADMN CN(C[C@@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C(=O)OC(C)(C)C ZINC000736793762 598247274 /nfs/dbraw/zinc/24/72/74/598247274.db2.gz YZBSYTZAVCWGBM-ZDUSSCGKSA-N 0 1 390.463 2.695 20 0 GFADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000735562170 598251787 /nfs/dbraw/zinc/25/17/87/598251787.db2.gz NZTGVJXJPCCHKX-HIFRSBDPSA-N 0 1 380.427 2.822 20 0 GFADMN Cc1ccc([C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000737321687 598282673 /nfs/dbraw/zinc/28/26/73/598282673.db2.gz VCMXJEANSRDGGA-INIZCTEOSA-N 0 1 381.440 2.727 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000736229025 598343664 /nfs/dbraw/zinc/34/36/64/598343664.db2.gz PSZJFUITGMHZOJ-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000736229025 598343666 /nfs/dbraw/zinc/34/36/66/598343666.db2.gz PSZJFUITGMHZOJ-GJZGRUSLSA-N 0 1 378.484 2.747 20 0 GFADMN Clc1ccccc1C[NH+]1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000737583930 598389750 /nfs/dbraw/zinc/38/97/50/598389750.db2.gz OFNDQNWSDISAKK-UHFFFAOYSA-N 0 1 384.875 2.634 20 0 GFADMN Clc1ccccc1C[NH+]1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000737583930 598389753 /nfs/dbraw/zinc/38/97/53/598389753.db2.gz OFNDQNWSDISAKK-UHFFFAOYSA-N 0 1 384.875 2.634 20 0 GFADMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737076493 598431758 /nfs/dbraw/zinc/43/17/58/598431758.db2.gz RJDBWLPZBYGLSG-KGLIPLIRSA-N 0 1 380.452 2.862 20 0 GFADMN CCC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736425430 598529748 /nfs/dbraw/zinc/52/97/48/598529748.db2.gz GFQSDSZNMMMYCL-CYBMUJFWSA-N 0 1 398.492 2.830 20 0 GFADMN Cc1ccccc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000737431954 598548479 /nfs/dbraw/zinc/54/84/79/598548479.db2.gz NRXKAJVWZIQXKC-UHFFFAOYSA-N 0 1 381.364 2.577 20 0 GFADMN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC000737245814 598637771 /nfs/dbraw/zinc/63/77/71/598637771.db2.gz PVVUZSKZDNMVEQ-UHFFFAOYSA-N 0 1 386.481 2.977 20 0 GFADMN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000738166810 598684712 /nfs/dbraw/zinc/68/47/12/598684712.db2.gz WSSVPIMHDGNYAR-MRXNPFEDSA-N 0 1 399.405 2.541 20 0 GFADMN Cc1cc(C)c(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c(C)c1 ZINC000737249301 598719436 /nfs/dbraw/zinc/71/94/36/598719436.db2.gz VUIGFMFHUQHURA-UHFFFAOYSA-N 0 1 388.431 2.746 20 0 GFADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000737982873 598721782 /nfs/dbraw/zinc/72/17/82/598721782.db2.gz STEWQNLQHVVFPJ-UHFFFAOYSA-N 0 1 383.770 2.857 20 0 GFADMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1nnc2ccccc2c1O ZINC000735873968 599302001 /nfs/dbraw/zinc/30/20/01/599302001.db2.gz KLJWYKSPGRJTFM-UHFFFAOYSA-N 0 1 389.419 2.566 20 0 GFADMN c1ccc(CN2CCC(Nc3cc(-c4nn[nH]n4)c4ccccc4n3)CC2)nc1 ZINC000738433230 599412352 /nfs/dbraw/zinc/41/23/52/599412352.db2.gz RYWUNWPBSQTVTO-UHFFFAOYSA-N 0 1 386.463 2.886 20 0 GFADMN CC[C@@H](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820870516 599455825 /nfs/dbraw/zinc/45/58/25/599455825.db2.gz UGYFMPGTAITWIN-IAGOWNOFSA-N 0 1 399.543 2.909 20 0 GFADMN CCN(C(=O)c1c[nH]c2ccccc2c1=O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821155383 599456214 /nfs/dbraw/zinc/45/62/14/599456214.db2.gz YRFSKRBRRSATNN-ZDUSSCGKSA-N 0 1 388.431 2.932 20 0 GFADMN COc1ccc(C)cc1CN1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821783125 599465329 /nfs/dbraw/zinc/46/53/29/599465329.db2.gz XDQPRZLPXAZDQU-UHFFFAOYSA-N 0 1 382.443 2.645 20 0 GFADMN Cc1ccc(C(C)(C)CN(C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822227418 599641589 /nfs/dbraw/zinc/64/15/89/599641589.db2.gz HRBUCDZNVBHFEX-SFHVURJKSA-N 0 1 378.480 2.611 20 0 GFADMN CC[C@@](C)(NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc(C)cs1 ZINC000820852375 599645092 /nfs/dbraw/zinc/64/50/92/599645092.db2.gz AFLRWGBGAJKXKG-GOSISDBHSA-N 0 1 385.497 2.875 20 0 GFADMN Cc1ccc2nc(CNC(=O)N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822270937 599670639 /nfs/dbraw/zinc/67/06/39/599670639.db2.gz DYMUTJSHICIWSC-LBPRGKRZSA-N 0 1 376.424 2.612 20 0 GFADMN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+](C)C[C@H]3CCCOC3)c2C(=O)[O-])C1 ZINC000736803648 599763638 /nfs/dbraw/zinc/76/36/38/599763638.db2.gz ZUDBEEGNNCLOFV-QWHCGFSZSA-N 0 1 380.510 2.868 20 0 GFADMN C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000717561826 599777673 /nfs/dbraw/zinc/77/76/73/599777673.db2.gz CNBVQDWIUPPKFG-UHFFFAOYSA-N 0 1 392.477 2.511 20 0 GFADMN O=C([O-])c1ccc(F)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000193664550 599811933 /nfs/dbraw/zinc/81/19/33/599811933.db2.gz RMEIAJSTQOTUFY-AWEZNQCLSA-N 0 1 398.481 2.701 20 0 GFADMN Cc1cc(CNCC2([NH+]3CCCC3)CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000738390042 599859978 /nfs/dbraw/zinc/85/99/78/599859978.db2.gz VOWSVSNMHVCRAZ-UHFFFAOYSA-N 0 1 376.497 2.501 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCSCC(=O)[O-])cc2)C1 ZINC000736794126 599900986 /nfs/dbraw/zinc/90/09/86/599900986.db2.gz NXHAOLCVTASYOT-OAHLLOKOSA-N 0 1 379.526 2.536 20 0 GFADMN Cc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+]2CCCC2)o1 ZINC000738569416 599937312 /nfs/dbraw/zinc/93/73/12/599937312.db2.gz FEJOVQOLYBGZIF-INIZCTEOSA-N 0 1 392.477 2.710 20 0 GFADMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000740279947 599938163 /nfs/dbraw/zinc/93/81/63/599938163.db2.gz SZNJIJRJFCCSMJ-CQSZACIVSA-N 0 1 388.489 2.670 20 0 GFADMN Cc1sc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)c(C(=O)[O-])c1C ZINC000738398603 599971555 /nfs/dbraw/zinc/97/15/55/599971555.db2.gz LKDOQZZRFRVUSZ-UHFFFAOYSA-N 0 1 376.482 2.610 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000574763005 600004690 /nfs/dbraw/zinc/00/46/90/600004690.db2.gz FJHGQUNYGRUXBZ-CTNGQTDRSA-N 0 1 399.487 2.538 20 0 GFADMN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000574763005 600004692 /nfs/dbraw/zinc/00/46/92/600004692.db2.gz FJHGQUNYGRUXBZ-CTNGQTDRSA-N 0 1 399.487 2.538 20 0 GFADMN O=C([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000740136822 600016678 /nfs/dbraw/zinc/01/66/78/600016678.db2.gz RBFIZLADPMPYPD-IBGZPJMESA-N 0 1 394.537 2.849 20 0 GFADMN O=C([O-])C1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000739407600 600021933 /nfs/dbraw/zinc/02/19/33/600021933.db2.gz OTYYRVSURDXPKY-QQFBHYJXSA-N 0 1 379.526 2.903 20 0 GFADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000327990604 600028575 /nfs/dbraw/zinc/02/85/75/600028575.db2.gz GZIZFYIEXKQRKD-UHFFFAOYSA-N 0 1 388.917 2.779 20 0 GFADMN Cc1ccccc1C[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000738771570 600037907 /nfs/dbraw/zinc/03/79/07/600037907.db2.gz PJHZAUBJRHEACH-FQEVSTJZSA-N 0 1 379.460 2.720 20 0 GFADMN Cc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000738771570 600037910 /nfs/dbraw/zinc/03/79/10/600037910.db2.gz PJHZAUBJRHEACH-FQEVSTJZSA-N 0 1 379.460 2.720 20 0 GFADMN CC[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccs1 ZINC000737068542 600048300 /nfs/dbraw/zinc/04/83/00/600048300.db2.gz SHZACNXNCFLEQG-GOSISDBHSA-N 0 1 385.489 2.863 20 0 GFADMN CC[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])Cc1cccs1 ZINC000737068542 600048304 /nfs/dbraw/zinc/04/83/04/600048304.db2.gz SHZACNXNCFLEQG-GOSISDBHSA-N 0 1 385.489 2.863 20 0 GFADMN CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000736411425 600089111 /nfs/dbraw/zinc/08/91/11/600089111.db2.gz GTACULQIZPDIPF-OAHLLOKOSA-N 0 1 385.302 2.539 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)(C(=O)[O-])c1ccccc1 ZINC000736918278 600128909 /nfs/dbraw/zinc/12/89/09/600128909.db2.gz SKKZETVGULCQTH-JOCHJYFZSA-N 0 1 395.459 2.732 20 0 GFADMN CC[C@@]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)(C(=O)[O-])c1ccccc1 ZINC000736920184 600130683 /nfs/dbraw/zinc/13/06/83/600130683.db2.gz JJLNSEUZUHPODD-NRFANRHFSA-N 0 1 397.431 2.832 20 0 GFADMN 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CC[C@H](C)[C@@H](NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(=O)[O-] ZINC000828717711 602024893 /nfs/dbraw/zinc/02/48/93/602024893.db2.gz KGLZVNQIDMDJPV-ABSDTBQOSA-N 0 1 381.561 2.578 20 0 GFADMN C[N@@H+](CCCO)C1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000830777093 602043346 /nfs/dbraw/zinc/04/33/46/602043346.db2.gz NZSGDHDALMNFIU-MRXNPFEDSA-N 0 1 375.296 2.898 20 0 GFADMN NC(=O)c1cc([C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2)n[nH]1 ZINC000833084664 602045745 /nfs/dbraw/zinc/04/57/45/602045745.db2.gz MEKAFVNUEZSXBD-BJOHPYRUSA-N 0 1 397.262 2.821 20 0 GFADMN CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NC1(C(=O)[O-])CCCCC1)CCC2 ZINC000830322704 602056856 /nfs/dbraw/zinc/05/68/56/602056856.db2.gz LHLRPTHSKJUCOZ-CQSZACIVSA-N 0 1 379.526 2.918 20 0 GFADMN CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NC1(C(=O)[O-])CCCCC1)CCC2 ZINC000830322704 602056861 /nfs/dbraw/zinc/05/68/61/602056861.db2.gz LHLRPTHSKJUCOZ-CQSZACIVSA-N 0 1 379.526 2.918 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1Cl ZINC000739610013 602063148 /nfs/dbraw/zinc/06/31/48/602063148.db2.gz ZQNIYXGMZGGWFI-CZUORRHYSA-N 0 1 382.892 2.632 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000738984526 602133784 /nfs/dbraw/zinc/13/37/84/602133784.db2.gz WOLNNEJNAGHQKL-QFHJOOASSA-N 0 1 388.512 2.900 20 0 GFADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)C1 ZINC000739058791 602133881 /nfs/dbraw/zinc/13/38/81/602133881.db2.gz NJEKRKXWBJDFTD-LMMKCTJWSA-N 0 1 388.512 2.853 20 0 GFADMN C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738983861 602183007 /nfs/dbraw/zinc/18/30/07/602183007.db2.gz LWHHLSGSDQQSDW-MJGOQNOKSA-N 0 1 388.512 2.682 20 0 GFADMN C[N@H+]1CCCC[C@H]1CCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000830941304 602199973 /nfs/dbraw/zinc/19/99/73/602199973.db2.gz WKUZNZKYAKEHKR-RBUKOAKNSA-N 0 1 379.932 2.958 20 0 GFADMN C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000738954035 602260695 /nfs/dbraw/zinc/26/06/95/602260695.db2.gz YSUOTXRRSWKARO-XNJGSVPQSA-N 0 1 383.439 2.523 20 0 GFADMN C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000738954035 602260696 /nfs/dbraw/zinc/26/06/96/602260696.db2.gz YSUOTXRRSWKARO-XNJGSVPQSA-N 0 1 383.439 2.523 20 0 GFADMN COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])n2)c(OC)c1 ZINC000739881973 602275198 /nfs/dbraw/zinc/27/51/98/602275198.db2.gz GHEPUYJNODSGII-IUODEOHRSA-N 0 1 390.440 2.764 20 0 GFADMN COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])n2)c(OC)c1 ZINC000739881973 602275199 /nfs/dbraw/zinc/27/51/99/602275199.db2.gz GHEPUYJNODSGII-IUODEOHRSA-N 0 1 390.440 2.764 20 0 GFADMN COc1ccc(C[N@H+](CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)c(OC)c1 ZINC000832314272 602326363 /nfs/dbraw/zinc/32/63/63/602326363.db2.gz GZTYIWCUXPVJBV-UHFFFAOYSA-N 0 1 392.496 2.628 20 0 GFADMN COc1ccc(C[N@@H+](CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)c(OC)c1 ZINC000832314272 602326366 /nfs/dbraw/zinc/32/63/66/602326366.db2.gz GZTYIWCUXPVJBV-UHFFFAOYSA-N 0 1 392.496 2.628 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3ncc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000828456822 602333595 /nfs/dbraw/zinc/33/35/95/602333595.db2.gz OMATUKSPHFFLFM-BETUJISGSA-N 0 1 389.477 2.727 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3ncc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000828456822 602333598 /nfs/dbraw/zinc/33/35/98/602333598.db2.gz OMATUKSPHFFLFM-BETUJISGSA-N 0 1 389.477 2.727 20 0 GFADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)C(=O)[O-] ZINC000828718759 602345641 /nfs/dbraw/zinc/34/56/41/602345641.db2.gz OKOUSHFRPFVLLV-FPXQBCRKSA-N 0 1 380.485 2.563 20 0 GFADMN COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832324146 602396989 /nfs/dbraw/zinc/39/69/89/602396989.db2.gz UDGVLEIRLUYAKF-GOSISDBHSA-N 0 1 397.475 2.809 20 0 GFADMN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000739030267 602444941 /nfs/dbraw/zinc/44/49/41/602444941.db2.gz ZCDAIVHOCSRUHH-LLVKDONJSA-N 0 1 384.274 2.756 20 0 GFADMN CCC(CC)[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000739251350 602498113 /nfs/dbraw/zinc/49/81/13/602498113.db2.gz AWPHXOJLYWBQQN-KRWDZBQOSA-N 0 1 381.448 2.782 20 0 GFADMN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180420 602505252 /nfs/dbraw/zinc/50/52/52/602505252.db2.gz PDESGTINPCPQPY-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000739180420 602505253 /nfs/dbraw/zinc/50/52/53/602505253.db2.gz PDESGTINPCPQPY-VNHYZAJKSA-N 0 1 379.432 2.629 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1)C(=O)[O-] ZINC000739666044 602529505 /nfs/dbraw/zinc/52/95/05/602529505.db2.gz ROQZNSZWGQFREN-LBPRGKRZSA-N 0 1 384.274 2.709 20 0 GFADMN CCN(c1ccc(NC(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)cc1)C(C)C ZINC000737858035 602533563 /nfs/dbraw/zinc/53/35/63/602533563.db2.gz CCAMJOGFJLPKCG-UHFFFAOYSA-N 0 1 376.501 2.934 20 0 GFADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627673 602534342 /nfs/dbraw/zinc/53/43/42/602534342.db2.gz ALLPHRRYQKBIJK-VXGBXAGGSA-N 0 1 384.274 2.708 20 0 GFADMN Cc1nn(C)c(C)c1NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740245103 602557684 /nfs/dbraw/zinc/55/76/84/602557684.db2.gz GHEIPEFPFOTXMA-SFHVURJKSA-N 0 1 399.495 2.620 20 0 GFADMN Cc1nn(C)c(C)c1NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000740245103 602557686 /nfs/dbraw/zinc/55/76/86/602557686.db2.gz GHEIPEFPFOTXMA-SFHVURJKSA-N 0 1 399.495 2.620 20 0 GFADMN C[C@@H](C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738618597 602588617 /nfs/dbraw/zinc/58/86/17/602588617.db2.gz UQUDXRDYJDWOKD-OXJNMPFZSA-N 0 1 385.508 2.814 20 0 GFADMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000738912146 602671085 /nfs/dbraw/zinc/67/10/85/602671085.db2.gz VVAYJWAVUWZSBO-KGLIPLIRSA-N 0 1 386.452 2.761 20 0 GFADMN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738891216 602682469 /nfs/dbraw/zinc/68/24/69/602682469.db2.gz QYQLJWFOWHJFRX-QGZVFWFLSA-N 0 1 388.512 2.682 20 0 GFADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000739011168 602705711 /nfs/dbraw/zinc/70/57/11/602705711.db2.gz ZTHNKBYHNVYFMD-TXPKVOOTSA-N 0 1 388.512 2.900 20 0 GFADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000739725778 602730191 /nfs/dbraw/zinc/73/01/91/602730191.db2.gz FTMWYZYEEYKQNR-RBUKOAKNSA-N 0 1 385.508 2.783 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739177213 602785411 /nfs/dbraw/zinc/78/54/11/602785411.db2.gz VLEZYULWSQBJHI-MAUKXSAKSA-N 0 1 389.496 2.602 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739177213 602785413 /nfs/dbraw/zinc/78/54/13/602785413.db2.gz VLEZYULWSQBJHI-MAUKXSAKSA-N 0 1 389.496 2.602 20 0 GFADMN CC[C@H](CNC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000739258434 602817826 /nfs/dbraw/zinc/81/78/26/602817826.db2.gz SUKOYEKQVZREGJ-KFKAGJAMSA-N 0 1 388.512 2.511 20 0 GFADMN C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736806175 602899164 /nfs/dbraw/zinc/89/91/64/602899164.db2.gz CEXSVEYIWBOWDF-CKEIUWERSA-N 0 1 376.457 2.882 20 0 GFADMN COc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1NC(=O)[O-] ZINC000739866708 602993431 /nfs/dbraw/zinc/99/34/31/602993431.db2.gz RMPVKGJZQPKEJE-GOSISDBHSA-N 0 1 385.420 2.625 20 0 GFADMN COc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1NC(=O)[O-] ZINC000739866708 602993434 /nfs/dbraw/zinc/99/34/34/602993434.db2.gz RMPVKGJZQPKEJE-GOSISDBHSA-N 0 1 385.420 2.625 20 0 GFADMN CC(C)[C@](C)(CNC(=O)[O-])[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000738769942 603135214 /nfs/dbraw/zinc/13/52/14/603135214.db2.gz HCCWXWGDUBJZBE-AWEZNQCLSA-N 0 1 387.234 2.864 20 0 GFADMN C[N@H+](CCCNC(=O)[O-])Cc1nnc(-c2ccc(Br)s2)o1 ZINC000739679572 603252032 /nfs/dbraw/zinc/25/20/32/603252032.db2.gz VFJXHZUJQBIYJX-UHFFFAOYSA-N 0 1 375.248 2.650 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])Cc1nnc(-c2ccc(Br)s2)o1 ZINC000739679572 603252035 /nfs/dbraw/zinc/25/20/35/603252035.db2.gz VFJXHZUJQBIYJX-UHFFFAOYSA-N 0 1 375.248 2.650 20 0 GFADMN CN(C[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1)C(=O)[O-] ZINC000739640955 603308483 /nfs/dbraw/zinc/30/84/83/603308483.db2.gz IAPPHHVZTRUCNC-MOPGFXCFSA-N 0 1 388.512 2.682 20 0 GFADMN O=C([O-])N1CC[C@H](C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 ZINC000740411555 603336660 /nfs/dbraw/zinc/33/66/60/603336660.db2.gz JKDMGCZJMZWGBN-HUUCEWRRSA-N 0 1 378.448 2.659 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])sc2C1 ZINC000827236084 603448135 /nfs/dbraw/zinc/44/81/35/603448135.db2.gz BYENWTAKXXUUHY-CQSZACIVSA-N 0 1 388.493 2.729 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])sc2C1 ZINC000827236084 603448139 /nfs/dbraw/zinc/44/81/39/603448139.db2.gz BYENWTAKXXUUHY-CQSZACIVSA-N 0 1 388.493 2.729 20 0 GFADMN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825794054 603479003 /nfs/dbraw/zinc/47/90/03/603479003.db2.gz FNDLZCWZIJDNAM-BHIYHBOVSA-N 0 1 388.512 2.729 20 0 GFADMN CN(CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000828245616 603485561 /nfs/dbraw/zinc/48/55/61/603485561.db2.gz JEIVUSXGJZLMSV-GOSISDBHSA-N 0 1 377.460 2.639 20 0 GFADMN CN(CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000828245616 603485564 /nfs/dbraw/zinc/48/55/64/603485564.db2.gz JEIVUSXGJZLMSV-GOSISDBHSA-N 0 1 377.460 2.639 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000832636979 603504985 /nfs/dbraw/zinc/50/49/85/603504985.db2.gz YACJBOILIAHZIC-MJGOQNOKSA-N 0 1 384.480 2.656 20 0 GFADMN CCN(CC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2OC)CC1)C(=O)[O-] ZINC000827093479 603511241 /nfs/dbraw/zinc/51/12/41/603511241.db2.gz PQOLCRMJYBVLOI-HNNXBMFYSA-N 0 1 377.485 2.584 20 0 GFADMN O=C([O-])N1CCC([N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)CC1 ZINC000831941509 603558090 /nfs/dbraw/zinc/55/80/90/603558090.db2.gz DKXXXMZQSZCRHZ-UHFFFAOYSA-N 0 1 388.436 2.790 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000826069544 603666088 /nfs/dbraw/zinc/66/60/88/603666088.db2.gz VLJVWEHNKGSYLZ-YSHGAJCASA-N 0 1 388.512 2.633 20 0 GFADMN CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)NC(=O)[O-] ZINC000823900765 603666570 /nfs/dbraw/zinc/66/65/70/603666570.db2.gz VNHSPCXIFQKJCK-QGZVFWFLSA-N 0 1 387.402 2.603 20 0 GFADMN CC(C)(CNC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823956482 603673045 /nfs/dbraw/zinc/67/30/45/603673045.db2.gz OLQQTRGHUYAYDK-AWEZNQCLSA-N 0 1 387.402 2.690 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000826067000 603674789 /nfs/dbraw/zinc/67/47/89/603674789.db2.gz IHNSOIFDXAICDQ-SJLPKXTDSA-N 0 1 390.528 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MGNDKOMHYFQMOQ-UHFFFAOYSA-N 0 1 390.403 2.931 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000826168177 608361221 /nfs/dbraw/zinc/36/12/21/608361221.db2.gz FDQRXYWQXIMTDF-UHFFFAOYSA-N 0 1 398.511 2.536 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCc3ccccc3C2(C)C)cc1-c1nn[nH]n1 ZINC000826229520 608362154 /nfs/dbraw/zinc/36/21/54/608362154.db2.gz HUDHSBITOLXILV-UHFFFAOYSA-N 0 1 396.476 2.623 20 0 GFADMN CCCCNC(=O)C1(NCc2ccc(-c3nn[nH]n3)cc2OC)CCCCC1 ZINC000825285339 608371799 /nfs/dbraw/zinc/37/17/99/608371799.db2.gz RGIYEENCXVLTNV-UHFFFAOYSA-N 0 1 386.500 2.584 20 0 GFADMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1OC ZINC000825142984 608456155 /nfs/dbraw/zinc/45/61/55/608456155.db2.gz UNOZMRXOULKKHJ-CXAGYDPISA-N 0 1 380.452 2.943 20 0 GFADMN Cc1ccccc1C[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826307144 608460332 /nfs/dbraw/zinc/46/03/32/608460332.db2.gz XOKZULOLXQUNPZ-CVEARBPZSA-N 0 1 378.480 2.573 20 0 GFADMN C[C@H](NCC(=O)NCCCSc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562321 608460764 /nfs/dbraw/zinc/46/07/64/608460764.db2.gz FMBZXZZGWYMJCN-HNNXBMFYSA-N 0 1 396.520 2.816 20 0 GFADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826209836 608461457 /nfs/dbraw/zinc/46/14/57/608461457.db2.gz SSKLNPFFWVZRCD-LLVKDONJSA-N 0 1 386.843 2.818 20 0 GFADMN C[C@@H](NCC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562608 608466564 /nfs/dbraw/zinc/46/65/64/608466564.db2.gz HPDMRJBYNWWGFY-LLVKDONJSA-N 0 1 388.378 2.757 20 0 GFADMN c1ccc(-c2cccc(CN3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)c2)nc1 ZINC000826518973 608514233 /nfs/dbraw/zinc/51/42/33/608514233.db2.gz FFNNKEBERGFUGC-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824109655 608533520 /nfs/dbraw/zinc/53/35/20/608533520.db2.gz VBTAWGNJBMIZQA-UHFFFAOYSA-N 0 1 378.502 2.665 20 0 GFADMN CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824109655 608533521 /nfs/dbraw/zinc/53/35/21/608533521.db2.gz VBTAWGNJBMIZQA-UHFFFAOYSA-N 0 1 378.502 2.665 20 0 GFADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)CC1=Cc2ccccc2OC1 ZINC000826157832 608566685 /nfs/dbraw/zinc/56/66/85/608566685.db2.gz NRENLCIMSJIPMV-UHFFFAOYSA-N 0 1 377.448 2.791 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521530 608845577 /nfs/dbraw/zinc/84/55/77/608845577.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 0 1 378.480 2.946 20 0 GFADMN c1cc(-c2nnn[n-]2)oc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521530 608845581 /nfs/dbraw/zinc/84/55/81/608845581.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 0 1 378.480 2.946 20 0 GFADMN C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539516 609151067 /nfs/dbraw/zinc/15/10/67/609151067.db2.gz OFKMZIVMLSSNRP-FHSNZYRGSA-N 0 1 380.427 2.850 20 0 GFADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000824193094 609260441 /nfs/dbraw/zinc/26/04/41/609260441.db2.gz SDHWBYLVKKRQTL-QGZVFWFLSA-N 0 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ZINC000824024767 609350301 /nfs/dbraw/zinc/35/03/01/609350301.db2.gz OTFMIUGHEZTQKD-SFHVURJKSA-N 0 1 395.419 2.817 20 0 GFADMN Cc1cc(NC(=O)NCCc2nc[nH]n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539731595 650848522 /nfs/dbraw/zinc/84/85/22/650848522.db2.gz NMNIPHWEUFNLPE-UHFFFAOYSA-N 0 1 380.239 2.970 20 0 GFADMN COc1nc(C)cc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000545471214 650976080 /nfs/dbraw/zinc/97/60/80/650976080.db2.gz VBDJULIFBWULOQ-UHFFFAOYSA-N 0 1 375.230 2.953 20 0 GFADMN COc1nc(C)cc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000545471214 650976083 /nfs/dbraw/zinc/97/60/83/650976083.db2.gz VBDJULIFBWULOQ-UHFFFAOYSA-N 0 1 375.230 2.953 20 0 GFADMN CC[C@H]1C[C@H](NC(=O)c2cccc(I)c2O)CCO1 ZINC000817643162 660203848 /nfs/dbraw/zinc/20/38/48/660203848.db2.gz JLJURBVQUCQRIP-ZJUUUORDSA-N 0 1 375.206 2.684 20 0 GFADMN O=S(=O)(CCNC[C@H](O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000818971771 660239276 /nfs/dbraw/zinc/23/92/76/660239276.db2.gz APDMBDSXZVTTNE-HNNXBMFYSA-N 0 1 375.824 2.715 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(CNC[C@H](O)c2cccc(F)c2)s1 ZINC000818945803 660236367 /nfs/dbraw/zinc/23/63/67/660236367.db2.gz PAAVTDSSWSHSNS-INIZCTEOSA-N 0 1 386.514 2.741 20 0 GFADMN O=S(=O)(CCNC[C@@H](O)c1ccccc1Br)Cc1ccccc1 ZINC000818976547 660240460 /nfs/dbraw/zinc/24/04/60/660240460.db2.gz ITHRMAGCNROSIA-QGZVFWFLSA-N 0 1 398.322 2.687 20 0 GFADMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1cc(Br)c(O)c(OC)c1 ZINC000818972161 660239489 /nfs/dbraw/zinc/23/94/89/660239489.db2.gz STZLOAPFACCIGM-URWSZGRFSA-N 0 1 383.286 2.729 20 0 GFADMN Cc1cc(CNC[C@H](O)c2ccc(Br)cc2)nc(N2CCCC2)n1 ZINC000819328681 660255131 /nfs/dbraw/zinc/25/51/31/660255131.db2.gz IJSSDIFRBNSSOT-KRWDZBQOSA-N 0 1 391.313 2.971 20 0 GFADMN CCn1ncn(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1=O ZINC000820388333 660291738 /nfs/dbraw/zinc/29/17/38/660291738.db2.gz NNZGVSNGQDBKEU-UHFFFAOYSA-N 0 1 382.207 2.719 20 0 GFADMN COc1cc(NS(=O)(=O)c2ccc(Br)c(C(C)=O)c2)ccn1 ZINC000820798546 660306622 /nfs/dbraw/zinc/30/66/22/660306622.db2.gz 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CC(C)Cn1[nH]c(CC(=O)N2CCOc3ccc(Br)cc32)cc1=O ZINC000825116011 660411215 /nfs/dbraw/zinc/41/12/15/660411215.db2.gz AUFDEOXSSCNQLE-UHFFFAOYSA-N 0 1 394.269 2.563 20 0 GFADMN COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Br)[nH]n3)CC2)c1 ZINC000826122061 660450468 /nfs/dbraw/zinc/45/04/68/660450468.db2.gz XJROGUWLUGTUDY-GFCCVEGCSA-N 0 1 393.285 2.700 20 0 GFADMN CO[C@H](C)c1noc(CN2CCCN(C[C@@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000828005979 660526100 /nfs/dbraw/zinc/52/61/00/660526100.db2.gz DTOPIQWDZSPQIL-IUODEOHRSA-N 0 1 377.316 2.869 20 0 GFADMN CCCN(C)CC(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1 ZINC000610157769 651647908 /nfs/dbraw/zinc/64/79/08/651647908.db2.gz KQAPWFSLFKPROA-UHFFFAOYSA-N 0 1 398.248 2.962 20 0 GFADMN C[C@H](CSc1nc(-c2ccccc2Br)n[nH]1)S(C)(=O)=O ZINC000828687714 660561460 /nfs/dbraw/zinc/56/14/60/660561460.db2.gz NCSYVJUKKKPQCN-MRVPVSSYSA-N 0 1 376.301 2.759 20 0 GFADMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)[nH]n2)C(C)(C)C1 ZINC000828813438 660571400 /nfs/dbraw/zinc/57/14/00/660571400.db2.gz 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CS(=O)(=O)C1CC(N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000895370616 663510270 /nfs/dbraw/zinc/51/02/70/663510270.db2.gz KZYDFMYKHIFQRJ-ORHYLEIMSA-N 0 1 376.341 2.902 20 0 GFADMN O=C(OCc1ccccc1)N1CC[C@@H](NCc2cnc(Br)cn2)C1 ZINC000895407650 663512157 /nfs/dbraw/zinc/51/21/57/663512157.db2.gz WGCUBDVGOVRQNU-CQSZACIVSA-N 0 1 391.269 2.740 20 0 GFADMN [O-]c1cc(Br)cnc1C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000895482240 663516822 /nfs/dbraw/zinc/51/68/22/663516822.db2.gz SEDYTYYMKASOOM-MRXNPFEDSA-N 0 1 378.270 2.938 20 0 GFADMN O=c1[nH]c(N2CCC[C@H]2COc2ccc(Br)cc2)nc2[nH]ncc21 ZINC000896373103 663553505 /nfs/dbraw/zinc/55/35/05/663553505.db2.gz QEXXECJPJAOGFP-NSHDSACASA-N 0 1 390.241 2.869 20 0 GFADMN Brc1c(CN[C@H]2CCCN3CCSC[C@@H]23)nc2ccccn21 ZINC000896432916 663557286 /nfs/dbraw/zinc/55/72/86/663557286.db2.gz SSMMMGRPCUPXSA-JSGCOSHPSA-N 0 1 381.343 2.766 20 0 GFADMN CSc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)ccc1Br ZINC000896526662 663560743 /nfs/dbraw/zinc/56/07/43/663560743.db2.gz 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C[C@@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)[C@H]1CN(C)CCN1C ZINC000896570503 663565273 /nfs/dbraw/zinc/56/52/73/663565273.db2.gz ZLSGUAPUEDXNJG-ZYHUDNBSSA-N 0 1 384.958 2.889 20 0 GFADMN C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H]1CN(C)CCN1C ZINC000896576480 663565350 /nfs/dbraw/zinc/56/53/50/663565350.db2.gz HTSFHMZNXRIBMD-BLLLJJGKSA-N 0 1 378.929 2.828 20 0 GFADMN C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)[C@H]1CN(C)CCN1C ZINC000896575742 663565534 /nfs/dbraw/zinc/56/55/34/663565534.db2.gz BWGGMVXHFLTSRR-BLLLJJGKSA-N 0 1 378.929 2.828 20 0 GFADMN CN1CCN(C)CCN(c2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000897095740 663591960 /nfs/dbraw/zinc/59/19/60/663591960.db2.gz XKIADJUVGXSDAE-UHFFFAOYSA-N 0 1 387.269 2.608 20 0 GFADMN CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc([O-])c2Br)CCOCC1 ZINC000897741794 663618242 /nfs/dbraw/zinc/61/82/42/663618242.db2.gz VJCOSYCGERCXTB-LBPRGKRZSA-N 0 1 386.286 2.993 20 0 GFADMN CS(=O)(=O)Cc1n[n-]c(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000897887297 663624175 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GFADMN Cc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1Br ZINC000261673114 553155802 /nfs/dbraw/zinc/15/58/02/553155802.db2.gz GYRHKONDKFOSOP-UHFFFAOYSA-N 0 1 390.329 2.832 20 0 GFADMN CSC1(CNC(=O)[C@@](C)(N)c2ccc(Br)cc2)CCOCC1 ZINC000261871894 553161649 /nfs/dbraw/zinc/16/16/49/553161649.db2.gz XZGACARZMFOJQZ-HNNXBMFYSA-N 0 1 387.343 2.651 20 0 GFADMN COC[C@H](N)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000262296914 553168650 /nfs/dbraw/zinc/16/86/50/553168650.db2.gz ZJLCKQWCCYWMDT-NSHDSACASA-N 0 1 376.766 2.765 20 0 GFADMN CN[C@H](C(=O)N(C)CC1(c2ccc(Br)cc2)CC1)c1cnn(C)c1 ZINC000262562862 553172448 /nfs/dbraw/zinc/17/24/48/553172448.db2.gz QZRSITANSKRHJW-INIZCTEOSA-N 0 1 391.313 2.633 20 0 GFADMN COc1cc(Br)c(CN[C@H]2CCN(CC(F)F)C2)c(OC)c1 ZINC000418142430 563899885 /nfs/dbraw/zinc/89/98/85/563899885.db2.gz YEUAXTAWWFLVQC-JTQLQIEISA-N 0 1 379.245 2.895 20 0 GFADMN COc1cc(Br)ccc1CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000512977845 564416686 /nfs/dbraw/zinc/41/66/86/564416686.db2.gz SWVNUNDDTPHYRP-CQSZACIVSA-N 0 1 397.235 2.810 20 0 GFADMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000380099877 563514583 /nfs/dbraw/zinc/51/45/83/563514583.db2.gz MYBRNKUMHQGAKA-JTQLQIEISA-N 0 1 381.723 2.817 20 0 GFADMN C[C@H](CCCNC(=O)OC(C)(C)C)NCc1c(Br)cnn1C ZINC000294697486 563213057 /nfs/dbraw/zinc/21/30/57/563213057.db2.gz CCYUMHQFEUBWTC-LLVKDONJSA-N 0 1 375.311 2.966 20 0 GFADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555150 563213601 /nfs/dbraw/zinc/21/36/01/563213601.db2.gz RGZOOMFKIGSZFB-BDJLRTHQSA-N 0 1 377.286 2.947 20 0 GFADMN Cc1cc(N2CC[C@H](N[C@H]3CCc4sc(Br)cc43)C2=O)n(C)n1 ZINC000294723049 563214738 /nfs/dbraw/zinc/21/47/38/563214738.db2.gz KEIKYFGRAWGNHX-RYUDHWBXSA-N 0 1 395.326 2.935 20 0 GFADMN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000277584612 563215312 /nfs/dbraw/zinc/21/53/12/563215312.db2.gz UWUPRCMHDGSHSP-HNNXBMFYSA-N 0 1 380.286 2.521 20 0 GFADMN COc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1F ZINC000369540330 563216446 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COc1ccc(CNC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1Br ZINC000370117308 563234227 /nfs/dbraw/zinc/23/42/27/563234227.db2.gz QUNZWMOEXLIQQV-GFCCVEGCSA-N 0 1 394.273 2.665 20 0 GFADMN COC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)s2)CC1)[C@@H]1CCCO1 ZINC000370142140 563234747 /nfs/dbraw/zinc/23/47/47/563234747.db2.gz WYNOSUPOERRREK-HOTGVXAUSA-N 0 1 386.945 2.924 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000419332095 563236953 /nfs/dbraw/zinc/23/69/53/563236953.db2.gz SPDMIFLYUIQKDY-UONOGXRCSA-N 0 1 394.313 2.991 20 0 GFADMN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370298030 563239694 /nfs/dbraw/zinc/23/96/94/563239694.db2.gz HPFAXRYKHXTNNI-SNVBAGLBSA-N 0 1 392.428 2.985 20 0 GFADMN C[C@@H](NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000419517340 563240853 /nfs/dbraw/zinc/24/08/53/563240853.db2.gz IPSLUTBVTVSEFO-MELADBBJSA-N 0 1 384.318 2.607 20 0 GFADMN O=C(COc1ccc(Br)cc1Cl)NCc1n[nH]c(C2CC2)n1 ZINC000295418795 563246943 /nfs/dbraw/zinc/24/69/43/563246943.db2.gz LVYITDBWTTWMQJ-UHFFFAOYSA-N 0 1 385.649 2.793 20 0 GFADMN CCc1nc(CNC(=O)c2cc(Br)sc2Br)n[nH]1 ZINC000295433757 563247400 /nfs/dbraw/zinc/24/74/00/563247400.db2.gz VBWQVSPAYUFOQC-UHFFFAOYSA-N 0 1 394.092 2.884 20 0 GFADMN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(Cl)c(F)cc1Br ZINC000295472596 563249367 /nfs/dbraw/zinc/24/93/67/563249367.db2.gz NMDQDNKKMUJPHR-SNVBAGLBSA-N 0 1 393.684 2.818 20 0 GFADMN OCC1(NCc2c(Br)cncc2Br)CCSCC1 ZINC000419785640 563250744 /nfs/dbraw/zinc/25/07/44/563250744.db2.gz SXCPEWWDSDKLNV-UHFFFAOYSA-N 0 1 396.148 2.954 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccn(-c2ccc(Br)cc2)n1 ZINC000295538481 563252436 /nfs/dbraw/zinc/25/24/36/563252436.db2.gz WMVAGSXDGFAXPE-UHFFFAOYSA-N 0 1 387.241 2.560 20 0 GFADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000278401610 563253534 /nfs/dbraw/zinc/25/35/34/563253534.db2.gz GRDBAKGUZMDOMB-JKSUJKDBSA-N 0 1 389.297 2.955 20 0 GFADMN O=C(N[C@H]1CCCN(CCCO)C1)c1cc(Cl)c(Br)cc1F ZINC000295569473 563253608 /nfs/dbraw/zinc/25/36/08/563253608.db2.gz UYXFLRYSGQZEJV-JTQLQIEISA-N 0 1 393.684 2.818 20 0 GFADMN COc1cc(Br)ccc1C(=O)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000370762482 563254783 /nfs/dbraw/zinc/25/47/83/563254783.db2.gz RSOVBTKUVGLUIL-CZUORRHYSA-N 0 1 397.313 2.688 20 0 GFADMN Cc1[nH]ncc1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000370770790 563254844 /nfs/dbraw/zinc/25/48/44/563254844.db2.gz HEHGKGKJLPIMMA-OAHLLOKOSA-N 0 1 379.258 2.764 20 0 GFADMN Cc1nc(CN2CCN(C(=O)c3[nH]nc4ccc(Cl)cc43)CC2)cs1 ZINC000278518354 563260321 /nfs/dbraw/zinc/26/03/21/563260321.db2.gz CEWDWYQCLSFJIH-UHFFFAOYSA-N 0 1 375.885 2.939 20 0 GFADMN CCO[C@H]1C[C@@H](NCc2nnnn2-c2ccccc2Br)C12CCC2 ZINC000295825229 563263970 /nfs/dbraw/zinc/26/39/70/563263970.db2.gz CDWKZYVHVKXRPO-CABCVRRESA-N 0 1 392.301 2.862 20 0 GFADMN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463892 563264275 /nfs/dbraw/zinc/26/42/75/563264275.db2.gz WWSPTXWFLOVHLR-JGVFFNPUSA-N 0 1 385.686 2.647 20 0 GFADMN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000420463894 563264476 /nfs/dbraw/zinc/26/44/76/563264476.db2.gz WWSPTXWFLOVHLR-YUMQZZPRSA-N 0 1 385.686 2.647 20 0 GFADMN COc1ccc(CCC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1Br ZINC000371279799 563270877 /nfs/dbraw/zinc/27/08/77/563270877.db2.gz LBFLZKPSNWHRBD-GFCCVEGCSA-N 0 1 378.270 2.787 20 0 GFADMN Cc1cc(Br)ccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000371331237 563273336 /nfs/dbraw/zinc/27/33/36/563273336.db2.gz GCJGORBBHPDGCN-QGZVFWFLSA-N 0 1 380.286 2.568 20 0 GFADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278930006 563276591 /nfs/dbraw/zinc/27/65/91/563276591.db2.gz SNXDGGKYPCJNMH-IUUKEHGRSA-N 0 1 384.307 2.771 20 0 GFADMN COc1ccc(Br)cc1C=CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371437300 563277878 /nfs/dbraw/zinc/27/78/78/563277878.db2.gz ANLLBZDXXZTRGK-DRRGCAIJSA-N 0 1 376.254 2.868 20 0 GFADMN CCc1[nH]nc(C(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)c1Br ZINC000278977236 563278202 /nfs/dbraw/zinc/27/82/02/563278202.db2.gz OFRIXTXITLTNTN-UHFFFAOYSA-N 0 1 384.230 2.695 20 0 GFADMN O=C(Cc1cc[nH]c(=O)c1Br)NC[C@@H](c1ccco1)N1CCCC1 ZINC000279082437 563282927 /nfs/dbraw/zinc/28/29/27/563282927.db2.gz PYOURZQVZUREIE-ZDUSSCGKSA-N 0 1 394.269 2.639 20 0 GFADMN O=S(=O)(c1ccc(F)c(Br)c1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296346600 563283961 /nfs/dbraw/zinc/28/39/61/563283961.db2.gz VVJFZTOJIFYYOV-GFCCVEGCSA-N 0 1 389.250 2.622 20 0 GFADMN O=S(=O)(c1cc(F)ccc1Br)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296364815 563284658 /nfs/dbraw/zinc/28/46/58/563284658.db2.gz XATABOXEEOLUGV-NSHDSACASA-N 0 1 389.250 2.622 20 0 GFADMN Cc1nn(C)c(CNCC[C@H](C)NC(=O)OC(C)(C)C)c1Br ZINC000279182566 563286532 /nfs/dbraw/zinc/28/65/32/563286532.db2.gz SCLOOMVDTMMZGI-JTQLQIEISA-N 0 1 375.311 2.884 20 0 GFADMN COCc1c(Br)cccc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296554838 563291833 /nfs/dbraw/zinc/29/18/33/563291833.db2.gz UBZCZLSMKUNKSJ-UHFFFAOYSA-N 0 1 380.246 2.913 20 0 GFADMN Cc1nccc(CN2CCC[C@@H](NCc3cc(Br)cs3)C2=O)n1 ZINC000371953002 563291865 /nfs/dbraw/zinc/29/18/65/563291865.db2.gz JCKFEQCCFNYKLP-OAHLLOKOSA-N 0 1 395.326 2.890 20 0 GFADMN C[C@@H]1NC(=O)N(CCN2CCCC[C@H]2Cc2cccc(Br)c2)C1=O ZINC000421035912 563294048 /nfs/dbraw/zinc/29/40/48/563294048.db2.gz IOEALHVIPJUZNF-BBRMVZONSA-N 0 1 394.313 2.786 20 0 GFADMN C[S@](=O)Cc1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000372568817 563311108 /nfs/dbraw/zinc/31/11/08/563311108.db2.gz IIOCKQRSFDPQGP-LPCOCDSHSA-N 0 1 384.929 2.690 20 0 GFADMN CCc1cc(C(=O)N(C)[C@@H](CO)c2cc(OC)ccc2Br)n[nH]1 ZINC000297011044 563312223 /nfs/dbraw/zinc/31/22/23/563312223.db2.gz SHGOCYVPSCHNFI-HNNXBMFYSA-N 0 1 382.258 2.549 20 0 GFADMN Cc1cc(Br)oc1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000372625976 563312764 /nfs/dbraw/zinc/31/27/64/563312764.db2.gz PXVLUYRRDMKUCO-AWEZNQCLSA-N 0 1 384.318 2.593 20 0 GFADMN O=C(NCCN1CC=CCC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000279922777 563315053 /nfs/dbraw/zinc/31/50/53/563315053.db2.gz GHZCGICZNAEEQA-UHFFFAOYSA-N 0 1 393.325 2.875 20 0 GFADMN COCCOC[C@@H](O)CN1CCC[C@H]1c1cc(Br)ccc1OC ZINC000297149591 563317506 /nfs/dbraw/zinc/31/75/06/563317506.db2.gz OGAGYFIIPHWXJX-HOCLYGCPSA-N 0 1 388.302 2.619 20 0 GFADMN Cc1cnc(C2CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC2)s1 ZINC000280020954 563318814 /nfs/dbraw/zinc/31/88/14/563318814.db2.gz DIMVEGILUSORTB-LBPRGKRZSA-N 0 1 377.432 2.861 20 0 GFADMN Cc1c(Cl)c(C[NH2+][C@H](CSCCOc2ccccc2)C(=O)[O-])nn1C ZINC000421816654 563322750 /nfs/dbraw/zinc/32/27/50/563322750.db2.gz QIXPTPMACAYZII-OAHLLOKOSA-N 0 1 383.901 2.737 20 0 GFADMN CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000297499309 563327486 /nfs/dbraw/zinc/32/74/86/563327486.db2.gz YDPPMBJJLAUXMY-GJZGRUSLSA-N 0 1 393.285 2.925 20 0 GFADMN COC1(CO)CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000373178034 563331464 /nfs/dbraw/zinc/33/14/64/563331464.db2.gz FUTVMVFVQKWAEN-UHFFFAOYSA-N 0 1 392.297 2.879 20 0 GFADMN CC(C)[C@](C)(NCc1ccnc(-c2ccc(Br)cc2)n1)C(N)=O ZINC000297654806 563332736 /nfs/dbraw/zinc/33/27/36/563332736.db2.gz NMGOAXXQJINQTF-KRWDZBQOSA-N 0 1 377.286 2.896 20 0 GFADMN O=C(C1CCN(Cc2ccc(Cl)s2)CC1)N1CCC[C@H](OCCO)C1 ZINC000373436158 563338247 /nfs/dbraw/zinc/33/82/47/563338247.db2.gz RWTZHEZTRQEIPB-HNNXBMFYSA-N 0 1 386.945 2.613 20 0 GFADMN CN(C)c1ncnc2c1CN(Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000373448000 563338524 /nfs/dbraw/zinc/33/85/24/563338524.db2.gz MBMXPLLVLAVKID-UHFFFAOYSA-N 0 1 387.285 2.740 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)n[nH]1 ZINC000298784380 563366211 /nfs/dbraw/zinc/36/62/11/563366211.db2.gz DPKYPPIGEYOBOK-ZBEGNZNMSA-N 0 1 395.301 2.787 20 0 GFADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)C1(c2cncc(Br)c2)CC1 ZINC000374259899 563366826 /nfs/dbraw/zinc/36/68/26/563366826.db2.gz UAWGCISUOHCIJW-HNNXBMFYSA-N 0 1 398.264 2.900 20 0 GFADMN C[C@@H](N[C@@H](CO)CC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000281214140 563370004 /nfs/dbraw/zinc/37/00/04/563370004.db2.gz SVNJBVCONLVLJV-MWLCHTKSSA-N 0 1 381.325 2.843 20 0 GFADMN NC1(c2noc(CCNC(=O)c3ccc(Br)cc3)n2)CCCCC1 ZINC000424342728 563376071 /nfs/dbraw/zinc/37/60/71/563376071.db2.gz ZFRYOQFHLKNSPZ-UHFFFAOYSA-N 0 1 393.285 2.923 20 0 GFADMN CN1CCC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)CCC4=O)CC[C@H]21 ZINC000374595019 563377078 /nfs/dbraw/zinc/37/70/78/563377078.db2.gz RRWRDRPFTXJDRD-CZUORRHYSA-N 0 1 382.913 2.574 20 0 GFADMN Cc1ncc(CN2CC[C@H](NC(=O)NCCCOC(F)F)[C@@H](C)C2)s1 ZINC000374655992 563378527 /nfs/dbraw/zinc/37/85/27/563378527.db2.gz QBUKZLCPNBFZDX-FZMZJTMJSA-N 0 1 376.473 2.590 20 0 GFADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)C2 ZINC000375265073 563397687 /nfs/dbraw/zinc/39/76/87/563397687.db2.gz IBCYYZZHGNPRSR-JTQLQIEISA-N 0 1 393.285 2.738 20 0 GFADMN COC(=O)[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1c1ccc(Br)cc1 ZINC000425010127 563401206 /nfs/dbraw/zinc/40/12/06/563401206.db2.gz MLNJWEUDBFPUJT-UONOGXRCSA-N 0 1 392.253 2.509 20 0 GFADMN COc1cc2nccc(NC[C@@H](O)COCC3CC3)c2cc1Br ZINC000425217848 563411790 /nfs/dbraw/zinc/41/17/90/563411790.db2.gz CGDASUMEUALKKU-GFCCVEGCSA-N 0 1 381.270 2.627 20 0 GFADMN COc1cc2nccc(N3CCCN(C(N)=O)CC3)c2cc1Br ZINC000425221132 563412972 /nfs/dbraw/zinc/41/29/72/563412972.db2.gz GABZZRUPGSFZDH-UHFFFAOYSA-N 0 1 379.258 2.597 20 0 GFADMN O=C(N1CCC[C@@H](c2n[nH]c(=O)o2)C1)C1(c2ccccc2Br)CC1 ZINC000425292838 563416836 /nfs/dbraw/zinc/41/68/36/563416836.db2.gz AWNLRLDJKMYDIW-LLVKDONJSA-N 0 1 392.253 2.976 20 0 GFADMN CO[C@@H](CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000282621010 563417934 /nfs/dbraw/zinc/41/79/34/563417934.db2.gz ZUBMAMHQOSOOGQ-SFHVURJKSA-N 0 1 386.945 2.918 20 0 GFADMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000375841380 563420356 /nfs/dbraw/zinc/42/03/56/563420356.db2.gz RZQDHQYSVQOCFE-UHFFFAOYSA-N 0 1 381.885 2.795 20 0 GFADMN CCCOc1c(Br)cc(CN[C@H](C)C(=O)NCCF)cc1OC ZINC000282700967 563421489 /nfs/dbraw/zinc/42/14/89/563421489.db2.gz OWGOWSMJFJBDHA-LLVKDONJSA-N 0 1 391.281 2.810 20 0 GFADMN COCC(C)(C)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000425511948 563425588 /nfs/dbraw/zinc/42/55/88/563425588.db2.gz 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ZINC000593078417 565311665 /nfs/dbraw/zinc/31/16/65/565311665.db2.gz YSLLLTAKWWQUFP-UHFFFAOYSA-N 0 1 393.285 2.739 20 0 GFADMN COc1cc(SC)ccc1NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000593211679 565320431 /nfs/dbraw/zinc/32/04/31/565320431.db2.gz LAVLMPPPWWFIOB-UHFFFAOYSA-N 0 1 399.515 2.646 20 0 GFADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCOc1cccc(I)c1 ZINC000593291231 565325346 /nfs/dbraw/zinc/32/53/46/565325346.db2.gz ZVOYYMYAMKHIDT-BXUZGUMPSA-N 0 1 389.233 2.998 20 0 GFADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCOc1cccc(I)c1 ZINC000593288859 565325923 /nfs/dbraw/zinc/32/59/23/565325923.db2.gz PQDRXJQIGIGBLE-CYBMUJFWSA-N 0 1 377.222 2.855 20 0 GFADMN C[C@H](NC(=O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000661596549 565330669 /nfs/dbraw/zinc/33/06/69/565330669.db2.gz DIPNCQFTZOATOM-HWWQOWPSSA-N 0 1 384.307 2.771 20 0 GFADMN Ic1cc2ncnc(N3CC[C@@H](N4CC=CC4)C3)c2s1 ZINC000593464635 565333605 /nfs/dbraw/zinc/33/36/05/565333605.db2.gz KDBNOSBQQZPONQ-SNVBAGLBSA-N 0 1 398.273 2.746 20 0 GFADMN CN[C@@H](C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924306 565337330 /nfs/dbraw/zinc/33/73/30/565337330.db2.gz AINLRLPMLAFPKI-RYUDHWBXSA-N 0 1 380.290 2.541 20 0 GFADMN CN[C@H](C)c1cn([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)nn1 ZINC000640924304 565337808 /nfs/dbraw/zinc/33/78/08/565337808.db2.gz AINLRLPMLAFPKI-NEPJUHHUSA-N 0 1 380.290 2.541 20 0 GFADMN C[C@@H](c1ccccc1Br)n1cc(C[NH+]2CCC(C(=O)[O-])CC2)nn1 ZINC000640996778 565341300 /nfs/dbraw/zinc/34/13/00/565341300.db2.gz JKXHHXNFTARSQO-LBPRGKRZSA-N 0 1 393.285 2.947 20 0 GFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000662171990 565352720 /nfs/dbraw/zinc/35/27/20/565352720.db2.gz WFSZDOSNIXEUPT-ZJUUUORDSA-N 0 1 380.235 2.746 20 0 GFADMN O[C@]1(CCNCc2cc(Br)sc2Br)CCOC1 ZINC000641769605 565398129 /nfs/dbraw/zinc/39/81/29/565398129.db2.gz VYFRSFMTMHSFTF-LLVKDONJSA-N 0 1 385.121 2.904 20 0 GFADMN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCNC3)cc1C ZINC000662396165 565364804 /nfs/dbraw/zinc/36/48/04/565364804.db2.gz 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565392719 /nfs/dbraw/zinc/39/27/19/565392719.db2.gz GLUGRYGMPFNJFN-UHFFFAOYSA-N 0 1 379.258 2.701 20 0 GFADMN C[C@@H]1OCC[C@]1(O)CNCc1cc(Br)sc1Br ZINC000641750778 565397527 /nfs/dbraw/zinc/39/75/27/565397527.db2.gz NDCWTYKTWWQQEZ-CPCISQLKSA-N 0 1 385.121 2.903 20 0 GFADMN O=c1[nH]nc(SCc2ncsc2Br)n1C[C@H]1CCCO1 ZINC000663238857 565403090 /nfs/dbraw/zinc/40/30/90/565403090.db2.gz YCVMHMAYERFHQB-SSDOTTSWSA-N 0 1 377.289 2.674 20 0 GFADMN COc1cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c(Br)cn1 ZINC000621281057 565414579 /nfs/dbraw/zinc/41/45/79/565414579.db2.gz PGACZFXOFCJBAV-GOSISDBHSA-N 0 1 388.265 2.949 20 0 GFADMN Brc1cnnc(NCCCN2CCN(c3ccccc3)CC2)c1 ZINC000663385266 565416135 /nfs/dbraw/zinc/41/61/35/565416135.db2.gz WUUOESPVYOMCLI-UHFFFAOYSA-N 0 1 376.302 2.863 20 0 GFADMN CO[C@@H](CNCc1ccc(F)cc1I)[C@H]1CCOC1 ZINC000594949631 565437319 /nfs/dbraw/zinc/43/73/19/565437319.db2.gz FMYWORXJONLLTL-FZMZJTMJSA-N 0 1 379.213 2.571 20 0 GFADMN C[C@@H](CNC(=O)NCCCc1nc[nH]n1)Sc1ccc(Br)cc1 ZINC000664060460 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/nfs/dbraw/zinc/55/02/79/565550279.db2.gz BSEHQZPMEIHILX-UONOGXRCSA-N 0 1 391.313 2.797 20 0 GFADMN CN1C[C@@H]2CCN(S(=O)(=O)Cc3cc(Cl)ccc3Br)[C@@H]2C1 ZINC000645722223 565555321 /nfs/dbraw/zinc/55/53/21/565555321.db2.gz DVPNZHRDVQMBJD-IINYFYTJSA-N 0 1 393.734 2.568 20 0 GFADMN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000624393611 565556037 /nfs/dbraw/zinc/55/60/37/565556037.db2.gz DSRKIIYXYSBUPK-WDEREUQCSA-N 0 1 385.686 2.660 20 0 GFADMN CC[C@@H]1CCc2nc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)sc2C1 ZINC000624422374 565556871 /nfs/dbraw/zinc/55/68/71/565556871.db2.gz QNBZMMPQLREDNQ-SNVBAGLBSA-N 0 1 380.495 2.677 20 0 GFADMN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C1(CO)CC1 ZINC000597254872 565558395 /nfs/dbraw/zinc/55/83/95/565558395.db2.gz NHQWZCBNFICDES-UHFFFAOYSA-N 0 1 386.286 2.656 20 0 GFADMN CN(C)[C@H](CNC(=O)NC[C@@H](n1cccn1)C(F)(F)F)c1cccs1 ZINC000624487338 565558864 /nfs/dbraw/zinc/55/88/64/565558864.db2.gz HDYWXALBXACYBL-DGCLKSJQSA-N 0 1 375.420 2.650 20 0 GFADMN Cc1cc(Br)c(F)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000624952590 565585050 /nfs/dbraw/zinc/58/50/50/565585050.db2.gz QAWIDYRKRBEDCT-LBPRGKRZSA-N 0 1 391.306 2.755 20 0 GFADMN Cc1c(F)c(Br)ccc1NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000667505705 565591143 /nfs/dbraw/zinc/59/11/43/565591143.db2.gz YBXXQPMEFDHIII-GHMZBOCLSA-N 0 1 388.281 2.815 20 0 GFADMN Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000625073682 565595462 /nfs/dbraw/zinc/59/54/62/565595462.db2.gz FIPIEQVHVSXITP-GFCCVEGCSA-N 0 1 388.262 2.976 20 0 GFADMN CCc1cc(Br)cc2sc(NC(=O)C[C@H]3COCCN3)nc21 ZINC000646494800 565604674 /nfs/dbraw/zinc/60/46/74/565604674.db2.gz UBAIHQWJWPNDRR-NSHDSACASA-N 0 1 384.299 2.938 20 0 GFADMN CCCN(C(=O)C(=O)Nc1cc(C)ccc1Br)[C@H]1CCN(C)C1 ZINC000646766303 565618110 /nfs/dbraw/zinc/61/81/10/565618110.db2.gz VVJLHWJOYBPZNE-ZDUSSCGKSA-N 0 1 382.302 2.639 20 0 GFADMN CCCN(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC)[C@@H]1CCN(C)C1 ZINC000646763776 565618327 /nfs/dbraw/zinc/61/83/27/565618327.db2.gz 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ZINC000647303219 565655240 /nfs/dbraw/zinc/65/52/40/565655240.db2.gz NGIAFDCUPAMZCN-QMMMGPOBSA-N 0 1 385.736 2.584 20 0 GFADMN CC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)NCc1cccs1 ZINC000647333067 565657953 /nfs/dbraw/zinc/65/79/53/565657953.db2.gz KXHIJCXIDBIKRU-CXAGYDPISA-N 0 1 380.535 2.897 20 0 GFADMN CC[C@@H](NCc1ccc(CO)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000647322017 565657987 /nfs/dbraw/zinc/65/79/87/565657987.db2.gz BXMHGBQXUJVHEV-QGZVFWFLSA-N 0 1 382.913 2.981 20 0 GFADMN OC[C@H]1CCC2(CCOCC2)CN1Cc1cn2cc(Br)ccc2n1 ZINC000625758621 565658250 /nfs/dbraw/zinc/65/82/50/565658250.db2.gz SQMNBRCFCVAWLB-MRXNPFEDSA-N 0 1 394.313 2.850 20 0 GFADMN CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000625991880 565668084 /nfs/dbraw/zinc/66/80/84/565668084.db2.gz KTHJYVRXJIBRFV-JQWIXIFHSA-N 0 1 379.404 2.552 20 0 GFADMN C[C@@H]1CN(C(=O)CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000625983506 565668400 /nfs/dbraw/zinc/66/84/00/565668400.db2.gz RUJXJGXTOIAOMS-PBFPGSCMSA-N 0 1 388.339 2.822 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCC2)on1 ZINC000599312002 565668991 /nfs/dbraw/zinc/66/89/91/565668991.db2.gz PWMSIQZDWJJZJM-UHFFFAOYSA-N 0 1 384.841 2.558 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)on1 ZINC000599327197 565670023 /nfs/dbraw/zinc/67/00/23/565670023.db2.gz QJEQSUPGRLWOMF-YPMHNXCESA-N 0 1 384.841 2.729 20 0 GFADMN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1CC(=O)NC[C@@H]1CCCO1 ZINC000626039969 565672940 /nfs/dbraw/zinc/67/29/40/565672940.db2.gz SOSBLVNVQNKULX-UNEWFSDZSA-N 0 1 381.314 2.922 20 0 GFADMN COc1ccc(CN2CCN(CCCF)CC2)c(Br)c1OC ZINC000626072218 565674276 /nfs/dbraw/zinc/67/42/76/565674276.db2.gz MBSDZFNUGGGAKR-UHFFFAOYSA-N 0 1 375.282 2.944 20 0 GFADMN C[C@@H]1CN(C(=O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000626100670 565675281 /nfs/dbraw/zinc/67/52/81/565675281.db2.gz VKLFXLNHAXEHQR-XHBSWPGZSA-N 0 1 375.296 2.642 20 0 GFADMN CC(C)(CO)N1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648008903 565687282 /nfs/dbraw/zinc/68/72/82/565687282.db2.gz DKLWJEGRMALGDH-UHFFFAOYSA-N 0 1 393.272 2.939 20 0 GFADMN CCSc1ccc(CC(=O)N(C)C[C@H](C)c2nn[nH]n2)c(Br)c1 ZINC000626443726 565693427 /nfs/dbraw/zinc/69/34/27/565693427.db2.gz RTWOGRLQYZORPM-JTQLQIEISA-N 0 1 398.330 2.879 20 0 GFADMN CCSc1ccc(CC(=O)N(C)C[C@@H](C)c2nn[nH]n2)c(Br)c1 ZINC000626443727 565693688 /nfs/dbraw/zinc/69/36/88/565693688.db2.gz RTWOGRLQYZORPM-SNVBAGLBSA-N 0 1 398.330 2.879 20 0 GFADMN O=S(=O)(NCCN[C@@H]1CCCc2cccnc21)c1ccc(F)cc1Cl ZINC000669852000 565705875 /nfs/dbraw/zinc/70/58/75/565705875.db2.gz NKMAGWSEIPTTRV-OAHLLOKOSA-N 0 1 383.876 2.820 20 0 GFADMN O=C(CSCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599937313 565706511 /nfs/dbraw/zinc/70/65/11/565706511.db2.gz HIFCFNDHBCGAHZ-HUUCEWRRSA-N 0 1 389.348 2.894 20 0 GFADMN O=C(NC[C@@H]1CN2CCN1CCC2)c1cc2cc(Br)ccc2s1 ZINC000626927027 565714850 /nfs/dbraw/zinc/71/48/50/565714850.db2.gz RKQCCEGBJSAFCS-CQSZACIVSA-N 0 1 394.338 2.784 20 0 GFADMN Cc1cc2cc(C(=O)NC[C@H]3CN4CCN3CCC4)oc2c(Br)c1 ZINC000670407713 565721769 /nfs/dbraw/zinc/72/17/69/565721769.db2.gz YFNUZUVIGAHAML-AWEZNQCLSA-N 0 1 392.297 2.623 20 0 GFADMN CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000670408326 565722748 /nfs/dbraw/zinc/72/27/48/565722748.db2.gz MCNWQJKTOHEFFG-RDJZCZTQSA-N 0 1 394.357 2.524 20 0 GFADMN CC(C)CN1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648719109 565723216 /nfs/dbraw/zinc/72/32/16/565723216.db2.gz XSMNRHIBQIIOAR-UHFFFAOYSA-N 0 1 379.302 2.750 20 0 GFADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000670447285 565724269 /nfs/dbraw/zinc/72/42/69/565724269.db2.gz PSKBMKHEBUYJOH-TZMCWYRMSA-N 0 1 388.364 2.980 20 0 GFADMN O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627264028 565730663 /nfs/dbraw/zinc/73/06/63/565730663.db2.gz MXJROGXBQUJYKJ-MNOVXSKESA-N 0 1 391.668 2.523 20 0 GFADMN CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)c1Br ZINC000600555075 565736175 /nfs/dbraw/zinc/73/61/75/565736175.db2.gz XJMCYNACTPJQNN-SCVCMEIPSA-N 0 1 384.274 2.538 20 0 GFADMN Cc1cc(Br)ccc1CNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000600882081 565754313 /nfs/dbraw/zinc/75/43/13/565754313.db2.gz FYSLLWZBTLMRCB-KRWDZBQOSA-N 0 1 398.345 2.914 20 0 GFADMN O[C@@H]1CCC[C@@H]1N1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649267933 565756801 /nfs/dbraw/zinc/75/68/01/565756801.db2.gz KXTJTOQBZOYLKU-QWHCGFSZSA-N 0 1 394.235 2.898 20 0 GFADMN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cnc(OC)c(Cl)c2)cc1 ZINC000671295279 565761142 /nfs/dbraw/zinc/76/11/42/565761142.db2.gz UKAFRUKMSMUGIS-LBPRGKRZSA-N 0 1 383.901 2.644 20 0 GFADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628125248 565774909 /nfs/dbraw/zinc/77/49/09/565774909.db2.gz QUFYBXQDZHAALK-CQSZACIVSA-N 0 1 397.313 2.540 20 0 GFADMN O=C(CCc1cccc(Br)c1)N1CCC(N2CCOCC2)CC1 ZINC000628128727 565776293 /nfs/dbraw/zinc/77/62/93/565776293.db2.gz UQQZSXWOHBQLST-UHFFFAOYSA-N 0 1 381.314 2.705 20 0 GFADMN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1Br)OCCCO2 ZINC000671627978 565776698 /nfs/dbraw/zinc/77/66/98/565776698.db2.gz XEWCHRCPBAXOCM-TZMCWYRMSA-N 0 1 383.286 2.615 20 0 GFADMN Cc1ncsc1CCS(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000649810834 565779561 /nfs/dbraw/zinc/77/95/61/565779561.db2.gz HDBHWGZJARRDCM-KRWDZBQOSA-N 0 1 379.551 2.530 20 0 GFADMN Cc1cc(CNC(=O)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000672019955 565794748 /nfs/dbraw/zinc/79/47/48/565794748.db2.gz DHDQIMGEZJOWLB-UHFFFAOYSA-N 0 1 383.279 2.735 20 0 GFADMN O=C(NC[C@@H]1CCCN1CC(F)F)c1cc(Br)cc2nc[nH]c21 ZINC000628618195 565796924 /nfs/dbraw/zinc/79/69/24/565796924.db2.gz AADOTQGXRCVMFL-JTQLQIEISA-N 0 1 387.228 2.785 20 0 GFADMN C[C@@H]1[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@@H](C)CN1C ZINC000650145785 565799427 /nfs/dbraw/zinc/79/94/27/565799427.db2.gz QOFXDOOGQBQIOK-BFHYXJOUSA-N 0 1 396.329 2.509 20 0 GFADMN Cc1[nH]ncc1CN(C)C(=O)CCOc1ccccc1I ZINC000602171742 565828251 /nfs/dbraw/zinc/82/82/51/565828251.db2.gz IOGPAJQFFVKECG-UHFFFAOYSA-N 0 1 399.232 2.750 20 0 GFADMN Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673519002 565838851 /nfs/dbraw/zinc/83/88/51/565838851.db2.gz SIFLWCRXPTVBCV-UONOGXRCSA-N 0 1 393.281 2.785 20 0 GFADMN C[C@H](NC(=O)CN1CCN(C(C)(C)CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000673897258 565852389 /nfs/dbraw/zinc/85/23/89/565852389.db2.gz XTICIYAWYYSYSZ-ZDUSSCGKSA-N 0 1 388.339 2.559 20 0 GFADMN COC(=O)c1csc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000602648963 565860034 /nfs/dbraw/zinc/86/00/34/565860034.db2.gz FVMHRMZCYYARAN-LLVKDONJSA-N 0 1 378.416 2.815 20 0 GFADMN CCOC(=O)c1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)[nH]1 ZINC000602662525 565860994 /nfs/dbraw/zinc/86/09/94/565860994.db2.gz OYUCTAGHCVDGAG-KRWDZBQOSA-N 0 1 381.270 2.951 20 0 GFADMN O=C1C[C@H](NCc2cc(Cl)ccc2I)CCCN1 ZINC000602706515 565864036 /nfs/dbraw/zinc/86/40/36/565864036.db2.gz PBTJLSWSOOEVFZ-LLVKDONJSA-N 0 1 378.641 2.703 20 0 GFADMN O[C@@H]1CCN(C2CN(c3ccc4cc(Br)cc(Cl)c4n3)C2)C1 ZINC000651451701 565864442 /nfs/dbraw/zinc/86/44/42/565864442.db2.gz 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ZINC000633341751 566098458 /nfs/dbraw/zinc/09/84/58/566098458.db2.gz OKOSDTNXUOSXQG-GFCCVEGCSA-N 0 1 377.286 2.949 20 0 GFADMN Cc1cc(CNC(=O)c2cc(I)c(F)cc2F)n[nH]1 ZINC000610936849 566107124 /nfs/dbraw/zinc/10/71/24/566107124.db2.gz IFOMAXMZVGNUDW-UHFFFAOYSA-N 0 1 377.132 2.531 20 0 GFADMN CCCN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1CCN(C)C1 ZINC000633552173 566109258 /nfs/dbraw/zinc/10/92/58/566109258.db2.gz LMKGAGFNEWARPS-ZDUSSCGKSA-N 0 1 377.286 2.949 20 0 GFADMN O=C(CCc1c[nH]nn1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000633672631 566113635 /nfs/dbraw/zinc/11/36/35/566113635.db2.gz QEFLTYMPFCDLPO-AWEZNQCLSA-N 0 1 381.299 2.893 20 0 GFADMN O=C(CCc1cnn[nH]1)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000633672631 566113641 /nfs/dbraw/zinc/11/36/41/566113641.db2.gz QEFLTYMPFCDLPO-AWEZNQCLSA-N 0 1 381.299 2.893 20 0 GFADMN CN(C)S(=O)(=O)n1ccnc1CNCCCc1c(Cl)cccc1Cl ZINC000656268312 566121822 /nfs/dbraw/zinc/12/18/22/566121822.db2.gz BNMISRLCMYNMQH-UHFFFAOYSA-N 0 1 391.324 2.567 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N1CCC(CCO)CC1 ZINC000656275380 566121928 /nfs/dbraw/zinc/12/19/28/566121928.db2.gz QHFPKNVNOMYIFI-UHFFFAOYSA-N 0 1 381.274 2.629 20 0 GFADMN CC1(C)CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCN1CCO ZINC000682034679 566141098 /nfs/dbraw/zinc/14/10/98/566141098.db2.gz KUHMIOVWBFKCPY-UHFFFAOYSA-N 0 1 385.295 2.932 20 0 GFADMN CC[C@](C)(NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(F)(F)F ZINC000656731632 566160169 /nfs/dbraw/zinc/16/01/69/566160169.db2.gz QFVHBLPKSHORRQ-ZDUSSCGKSA-N 0 1 384.445 2.662 20 0 GFADMN COc1cc(NS(=O)(=O)C[C@@H](OC)C2CCCC2)ncc1Br ZINC000656731426 566160632 /nfs/dbraw/zinc/16/06/32/566160632.db2.gz OVDOYVZYHDLDLO-CYBMUJFWSA-N 0 1 393.303 2.800 20 0 GFADMN CC(C)OCCN1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645379 566163364 /nfs/dbraw/zinc/16/33/64/566163364.db2.gz MLTSCHPFJUWUGD-KRWDZBQOSA-N 0 1 391.339 2.776 20 0 GFADMN CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1csc(C)n1 ZINC000682837920 566172301 /nfs/dbraw/zinc/17/23/01/566172301.db2.gz XPNSMEOZVCYLGL-GOSISDBHSA-N 0 1 379.551 2.878 20 0 GFADMN Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)c1Br ZINC000682892808 566174953 /nfs/dbraw/zinc/17/49/53/566174953.db2.gz JQCWARPNZZIURN-HOTGVXAUSA-N 0 1 381.314 2.737 20 0 GFADMN CC(=O)Nc1ccc(NS(=O)(=O)c2c3c(nn2C)CCCC3)cc1Cl ZINC000634785861 566175735 /nfs/dbraw/zinc/17/57/35/566175735.db2.gz DDMCFCIARJQXMJ-UHFFFAOYSA-N 0 1 382.873 2.712 20 0 GFADMN O=S(=O)(c1ccccc1O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000656891045 566176721 /nfs/dbraw/zinc/17/67/21/566176721.db2.gz UTXYRRKDOXYSFN-HNNXBMFYSA-N 0 1 398.278 2.917 20 0 GFADMN COc1cc(NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)cc(OC)c1Cl ZINC000634793461 566178085 /nfs/dbraw/zinc/17/80/85/566178085.db2.gz KYXJGMOHYUTVBE-INIZCTEOSA-N 0 1 393.889 2.683 20 0 GFADMN Cn1nc2c(c1S(=O)(=O)Nc1ccc(-c3nncs3)cc1)CCCC2 ZINC000634792222 566178358 /nfs/dbraw/zinc/17/83/58/566178358.db2.gz ILMADYAWDYOIMB-UHFFFAOYSA-N 0 1 375.479 2.618 20 0 GFADMN CCn1c(CNC(=O)[C@@H]2CCCCN2C)nc2cc(Br)ccc21 ZINC000682993683 566180675 /nfs/dbraw/zinc/18/06/75/566180675.db2.gz NULICHVZXXQVGP-HNNXBMFYSA-N 0 1 379.302 2.919 20 0 GFADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ncccc2Br)o1 ZINC000656918147 566183568 /nfs/dbraw/zinc/18/35/68/566183568.db2.gz KVBHDXFHUKUHBI-GFCCVEGCSA-N 0 1 389.271 2.666 20 0 GFADMN CCN(CCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)CCC(F)(F)F ZINC000683161260 566185387 /nfs/dbraw/zinc/18/53/87/566185387.db2.gz WWBKSBKWLNBWIU-AWEZNQCLSA-N 0 1 382.423 2.908 20 0 GFADMN Cc1nnc(CC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000613130099 566186012 /nfs/dbraw/zinc/18/60/12/566186012.db2.gz XHVVAUXTEYVIJG-PXAZEXFGSA-N 0 1 382.892 2.991 20 0 GFADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000635019249 566189430 /nfs/dbraw/zinc/18/94/30/566189430.db2.gz BPIDKIIDVXWNHI-PBHICJAKSA-N 0 1 387.263 2.522 20 0 GFADMN C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000656979207 566199453 /nfs/dbraw/zinc/19/94/53/566199453.db2.gz OQVIYFGQGDSJGL-WCQYABFASA-N 0 1 376.404 2.596 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CCC[C@@H](CCO)C1 ZINC000683496357 566202276 /nfs/dbraw/zinc/20/22/76/566202276.db2.gz UCZSHNFDGUWDOY-NSHDSACASA-N 0 1 379.254 2.525 20 0 GFADMN O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635454209 566214852 /nfs/dbraw/zinc/21/48/52/566214852.db2.gz UYRQXRZSSCBCBH-CHWSQXEVSA-N 0 1 387.241 2.554 20 0 GFADMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000657059771 566215035 /nfs/dbraw/zinc/21/50/35/566215035.db2.gz ADMBDBRZTQBLID-NSHDSACASA-N 0 1 379.295 2.739 20 0 GFADMN O=C(CCCc1nn[nH]n1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000635530784 566217507 /nfs/dbraw/zinc/21/75/07/566217507.db2.gz BNLQWUJFQCTVCG-CYBMUJFWSA-N 0 1 388.230 2.568 20 0 GFADMN COc1cccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000684572853 566238799 /nfs/dbraw/zinc/23/87/99/566238799.db2.gz XIQBZICYOMTOKG-HNNXBMFYSA-N 0 1 380.535 2.947 20 0 GFADMN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)s1 ZINC000684608945 566239765 /nfs/dbraw/zinc/23/97/65/566239765.db2.gz VPCSEMCWVPQQHX-UHFFFAOYSA-N 0 1 387.870 2.799 20 0 GFADMN C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)[N@@H+]1CCc2sccc2C1 ZINC000736025467 598957728 /nfs/dbraw/zinc/95/77/28/598957728.db2.gz HDZHPJBRVMCNJN-GFCCVEGCSA-N 0 1 392.492 2.730 20 0 GFADMN C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)[N@H+]1CCc2sccc2C1 ZINC000736025467 598957730 /nfs/dbraw/zinc/95/77/30/598957730.db2.gz HDZHPJBRVMCNJN-GFCCVEGCSA-N 0 1 392.492 2.730 20 0 GFADMN C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[N@@H+]1CCc2sccc2C1 ZINC000736025467 598957731 /nfs/dbraw/zinc/95/77/31/598957731.db2.gz HDZHPJBRVMCNJN-GFCCVEGCSA-N 0 1 392.492 2.730 20 0 GFADMN C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[N@H+]1CCc2sccc2C1 ZINC000736025467 598957733 /nfs/dbraw/zinc/95/77/33/598957733.db2.gz HDZHPJBRVMCNJN-GFCCVEGCSA-N 0 1 392.492 2.730 20 0 GFADMN FC(F)(F)c1ccc(-c2nn[nH]n2)c(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000737636461 599052768 /nfs/dbraw/zinc/05/27/68/599052768.db2.gz SWYCIISINGFSHX-UHFFFAOYSA-N 0 1 387.329 2.678 20 0 GFADMN CSc1ccc(OCCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000821984875 599125624 /nfs/dbraw/zinc/12/56/24/599125624.db2.gz VTLDBNQPKBBCLD-UHFFFAOYSA-N 0 1 379.445 2.983 20 0 GFADMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cccc(F)c1C ZINC000821417537 599301525 /nfs/dbraw/zinc/30/15/25/599301525.db2.gz NWUFBSYMPCOOBJ-UHFFFAOYSA-N 0 1 377.401 2.514 20 0 GFADMN COc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000567856928 596918803 /nfs/dbraw/zinc/91/88/03/596918803.db2.gz UQIAAQGDPMEPET-LBPRGKRZSA-N 0 1 389.477 2.942 20 0 GFADMN Clc1cccc(N2CCN(CCOc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000822586472 599229474 /nfs/dbraw/zinc/22/94/74/599229474.db2.gz ZWDZJRNKABPXAK-UHFFFAOYSA-N 0 1 384.871 2.721 20 0 GFADMN CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736400771 599235445 /nfs/dbraw/zinc/23/54/45/599235445.db2.gz BYLKWHHEKLJCIP-OAHLLOKOSA-N 0 1 394.483 2.503 20 0 GFADMN CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736400771 599235447 /nfs/dbraw/zinc/23/54/47/599235447.db2.gz BYLKWHHEKLJCIP-OAHLLOKOSA-N 0 1 394.483 2.503 20 0 GFADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000737301775 599236802 /nfs/dbraw/zinc/23/68/02/599236802.db2.gz UFEZIHUBFKHJAB-UHFFFAOYSA-N 0 1 399.354 2.716 20 0 GFADMN O=C([O-])C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000819357601 597059602 /nfs/dbraw/zinc/05/96/02/597059602.db2.gz HNTQHUBNAXMMIK-HZPDHXFCSA-N 0 1 379.526 2.856 20 0 GFADMN COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1OC ZINC000533202836 597078526 /nfs/dbraw/zinc/07/85/26/597078526.db2.gz PHNLFAXBLSEJOM-DOTOQJQBSA-N 0 1 390.480 2.554 20 0 GFADMN Cc1c(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822097278 607292591 /nfs/dbraw/zinc/29/25/91/607292591.db2.gz WHQQSJAAIYERLU-QGZVFWFLSA-N 0 1 383.431 2.739 20 0 GFADMN CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1OCC(=O)N1CCCCC1 ZINC000820382680 598134286 /nfs/dbraw/zinc/13/42/86/598134286.db2.gz DIJOESLEGOOEPZ-QGZVFWFLSA-N 0 1 390.480 2.526 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)ccc1F ZINC000737283425 598307857 /nfs/dbraw/zinc/30/78/57/598307857.db2.gz RDCKEJLVJNVGDW-UHFFFAOYSA-N 0 1 391.428 2.902 20 0 GFADMN CCN(CC)[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000736532859 598321460 /nfs/dbraw/zinc/32/14/60/598321460.db2.gz DPCFBIXUJPLOBH-SFHVURJKSA-N 0 1 382.443 2.705 20 0 GFADMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737463615 598380610 /nfs/dbraw/zinc/38/06/10/598380610.db2.gz WIODGJNVBJOOSD-UHFFFAOYSA-N 0 1 381.396 2.507 20 0 GFADMN CCCN(C[C@@H]1CCCCO1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000736469399 598403096 /nfs/dbraw/zinc/40/30/96/598403096.db2.gz DZBWLNPWIKUVRS-SFHVURJKSA-N 0 1 381.484 2.969 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cc(C)cc(C)c2)cc1-c1nn[nH]n1 ZINC000737186103 598429970 /nfs/dbraw/zinc/42/99/70/598429970.db2.gz GZESXKKVAYMXJP-LLVKDONJSA-N 0 1 384.465 2.797 20 0 GFADMN COc1ccc(C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000737077760 598431658 /nfs/dbraw/zinc/43/16/58/598431658.db2.gz XTJRPIRDWQPQKC-ZIAGYGMSSA-N 0 1 380.452 2.862 20 0 GFADMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737073480 598453413 /nfs/dbraw/zinc/45/34/13/598453413.db2.gz RSJCHJLLUNGZTA-VXGBXAGGSA-N 0 1 384.415 2.692 20 0 GFADMN c1ccc(-c2nccc(N3CCN(Cc4ccc(-c5nn[nH]n5)cc4)CC3)n2)cc1 ZINC000738424300 598506926 /nfs/dbraw/zinc/50/69/26/598506926.db2.gz YOPBPWURGAYKGO-UHFFFAOYSA-N 0 1 398.474 2.646 20 0 GFADMN c1nn2cc(C[NH2+][C@@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nnn[n-]1 ZINC000738427485 598618347 /nfs/dbraw/zinc/61/83/47/598618347.db2.gz IOSIDQHBAMODLZ-IEBWSBKVSA-N 0 1 388.479 2.801 20 0 GFADMN c1nn2cc(C[NH2+][C@@H]3CCCC[C@@H]3Cc3ccccc3)cnc2c1-c1nn[n-]n1 ZINC000738427485 598618349 /nfs/dbraw/zinc/61/83/49/598618349.db2.gz IOSIDQHBAMODLZ-IEBWSBKVSA-N 0 1 388.479 2.801 20 0 GFADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000735550875 598703234 /nfs/dbraw/zinc/70/32/34/598703234.db2.gz MKSOWPPEVDYKFW-VXGBXAGGSA-N 0 1 386.843 2.930 20 0 GFADMN O=C(CN1CC[C@H](c2ccc(Cl)cc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737878400 598708499 /nfs/dbraw/zinc/70/84/99/598708499.db2.gz ZIJZXJWWWKPCTM-KRWDZBQOSA-N 0 1 396.882 2.626 20 0 GFADMN CC(C)c1ccc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000735928954 598718664 /nfs/dbraw/zinc/71/86/64/598718664.db2.gz SRUIIEHZHJCIPN-UHFFFAOYSA-N 0 1 388.431 2.944 20 0 GFADMN CCS[C@@H]1CCCCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736668231 598748976 /nfs/dbraw/zinc/74/89/76/598748976.db2.gz ZBRMFLQZHPWKDA-CYBMUJFWSA-N 0 1 378.502 2.623 20 0 GFADMN C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357285 599406730 /nfs/dbraw/zinc/40/67/30/599406730.db2.gz FNLJYJRKXIXUJC-BLLLJJGKSA-N 0 1 385.497 2.591 20 0 GFADMN CCC[C@]1(C)CCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000821026781 599553025 /nfs/dbraw/zinc/55/30/25/599553025.db2.gz BWBJPDOBBJZXJT-QGZVFWFLSA-N 0 1 376.486 2.732 20 0 GFADMN C[NH+](C)C1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)Cc2ccccc2C1 ZINC000821581426 599581539 /nfs/dbraw/zinc/58/15/39/599581539.db2.gz KXLAZCIYEJMYMH-UHFFFAOYSA-N 0 1 385.475 2.926 20 0 GFADMN C[NH+](C)C1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)Cc2ccccc2C1 ZINC000821581426 599581542 /nfs/dbraw/zinc/58/15/42/599581542.db2.gz KXLAZCIYEJMYMH-UHFFFAOYSA-N 0 1 385.475 2.926 20 0 GFADMN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737419985 599584913 /nfs/dbraw/zinc/58/49/13/599584913.db2.gz GMKCRWJCBQZNJS-DOTOQJQBSA-N 0 1 376.464 2.992 20 0 GFADMN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738265888 599593152 /nfs/dbraw/zinc/59/31/52/599593152.db2.gz FGUHMEUSFGWNPE-KRWDZBQOSA-N 0 1 395.438 2.980 20 0 GFADMN C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357768 599665089 /nfs/dbraw/zinc/66/50/89/599665089.db2.gz JRWBVYDTGVLUNJ-UGSOOPFHSA-N 0 1 397.458 2.669 20 0 GFADMN C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000820357766 599665180 /nfs/dbraw/zinc/66/51/80/599665180.db2.gz JRWBVYDTGVLUNJ-SCLBCKFNSA-N 0 1 397.458 2.669 20 0 GFADMN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000822230903 599695045 /nfs/dbraw/zinc/69/50/45/599695045.db2.gz UPTZWRNCOUVKSW-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN O=C([O-])CCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000739752944 599811817 /nfs/dbraw/zinc/81/18/17/599811817.db2.gz KLTNASJMMLLSPW-NRFANRHFSA-N 0 1 382.460 2.840 20 0 GFADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000736488188 599819759 /nfs/dbraw/zinc/81/97/59/599819759.db2.gz RETAVKDFDORYSR-MRXNPFEDSA-N 0 1 391.468 2.501 20 0 GFADMN C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000737517454 599820960 /nfs/dbraw/zinc/82/09/60/599820960.db2.gz AJYQRUSCYMXFPG-NSHDSACASA-N 0 1 375.347 2.542 20 0 GFADMN Cc1cccc(C)c1OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000573452719 599866842 /nfs/dbraw/zinc/86/68/42/599866842.db2.gz XIHQBDVINKEELV-MRXNPFEDSA-N 0 1 379.403 2.908 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000737187106 599897803 /nfs/dbraw/zinc/89/78/03/599897803.db2.gz OVWFWWJLGIGDPS-SFHVURJKSA-N 0 1 398.459 2.678 20 0 GFADMN CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OCC(=O)[O-] ZINC000737187106 599897807 /nfs/dbraw/zinc/89/78/07/599897807.db2.gz OVWFWWJLGIGDPS-SFHVURJKSA-N 0 1 398.459 2.678 20 0 GFADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000184879666 599929552 /nfs/dbraw/zinc/92/95/52/599929552.db2.gz QEJUIPUCFDCQHH-OAHLLOKOSA-N 0 1 394.518 2.870 20 0 GFADMN CCN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000737117628 599930718 /nfs/dbraw/zinc/93/07/18/599930718.db2.gz ZEGILSZHZPXJCL-UHFFFAOYSA-N 0 1 396.491 2.844 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931192 599935038 /nfs/dbraw/zinc/93/50/38/599935038.db2.gz CNZMNYKNGFUQND-BLVKFPJESA-N 0 1 393.871 2.640 20 0 GFADMN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736931192 599935040 /nfs/dbraw/zinc/93/50/40/599935040.db2.gz CNZMNYKNGFUQND-BLVKFPJESA-N 0 1 393.871 2.640 20 0 GFADMN Cc1ccc(N2CCC(C(=O)NC[C@@H](Cc3cccc(F)c3)C(=O)[O-])CC2)[nH+]c1 ZINC000738615235 599941434 /nfs/dbraw/zinc/94/14/34/599941434.db2.gz MQEQTTNCRVMDJE-GOSISDBHSA-N 0 1 399.466 2.805 20 0 GFADMN C[C@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000736594751 599941673 /nfs/dbraw/zinc/94/16/73/599941673.db2.gz CVBVBXMRZMPVCY-MRXNPFEDSA-N 0 1 397.475 2.510 20 0 GFADMN CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736885334 599947315 /nfs/dbraw/zinc/94/73/15/599947315.db2.gz AIOAVTRSCOWPFR-CQSZACIVSA-N 0 1 389.521 2.632 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738915603 599974452 /nfs/dbraw/zinc/97/44/52/599974452.db2.gz PXSSEHMMTYSWGG-GOEBONIOSA-N 0 1 393.871 2.657 20 0 GFADMN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000738915603 599974453 /nfs/dbraw/zinc/97/44/53/599974453.db2.gz PXSSEHMMTYSWGG-GOEBONIOSA-N 0 1 393.871 2.657 20 0 GFADMN CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263484007 599994479 /nfs/dbraw/zinc/99/44/79/599994479.db2.gz OVHHMXZPWMACNS-UHFFFAOYSA-N 0 1 381.476 2.704 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000521056210 600004279 /nfs/dbraw/zinc/00/42/79/600004279.db2.gz VDHFQHMTJOSQOI-PKOBYXMFSA-N 0 1 393.524 2.926 20 0 GFADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000521056210 600004283 /nfs/dbraw/zinc/00/42/83/600004283.db2.gz VDHFQHMTJOSQOI-PKOBYXMFSA-N 0 1 393.524 2.926 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(C)c1C(=O)[O-] ZINC000738229634 600087319 /nfs/dbraw/zinc/08/73/19/600087319.db2.gz LSBSVIRQQWIWRW-YESZJQIVSA-N 0 1 381.476 2.969 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000739290709 600139880 /nfs/dbraw/zinc/13/98/80/600139880.db2.gz YNXUACVAWOGHLS-SFHVURJKSA-N 0 1 397.500 2.790 20 0 GFADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000739290709 600139884 /nfs/dbraw/zinc/13/98/84/600139884.db2.gz YNXUACVAWOGHLS-SFHVURJKSA-N 0 1 397.500 2.790 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[NH+]1CCC(n3ccnc3)CC1)CCCC2 ZINC000739278503 600148352 /nfs/dbraw/zinc/14/83/52/600148352.db2.gz NNIBNLHPBRINER-UHFFFAOYSA-N 0 1 388.493 2.797 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000737865756 600175735 /nfs/dbraw/zinc/17/57/35/600175735.db2.gz JVRSWIMWEXFUNP-HZPDHXFCSA-N 0 1 389.423 2.762 20 0 GFADMN CC[C@]([NH2+]CC(=O)Nc1ccccc1C(=O)NC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736916532 600304212 /nfs/dbraw/zinc/30/42/12/600304212.db2.gz JNTCVDYOROGBGV-JOCHJYFZSA-N 0 1 397.475 2.743 20 0 GFADMN COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000738005628 600358444 /nfs/dbraw/zinc/35/84/44/600358444.db2.gz KJFODTDDEFVBKH-OAHLLOKOSA-N 0 1 385.464 2.713 20 0 GFADMN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000738523887 600399112 /nfs/dbraw/zinc/39/91/12/600399112.db2.gz FNKVVMFZQWPXDA-QGZVFWFLSA-N 0 1 390.386 2.872 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C)c1C(=O)[O-] ZINC000738233096 600433706 /nfs/dbraw/zinc/43/37/06/600433706.db2.gz ABCLAIMKYKGSGM-LSDHHAIUSA-N 0 1 395.463 2.823 20 0 GFADMN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C)c1C(=O)[O-] ZINC000738233096 600433710 /nfs/dbraw/zinc/43/37/10/600433710.db2.gz ABCLAIMKYKGSGM-LSDHHAIUSA-N 0 1 395.463 2.823 20 0 GFADMN Cc1sc(NC(=O)CN2CCC[N@H+](C3CCCC3)CC2)c(C(=O)[O-])c1C ZINC000738399438 600439973 /nfs/dbraw/zinc/43/99/73/600439973.db2.gz RBFNKSBRKLXXLJ-UHFFFAOYSA-N 0 1 379.526 2.952 20 0 GFADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H](C)O1 ZINC000736810608 600475682 /nfs/dbraw/zinc/47/56/82/600475682.db2.gz PGBJRIJJFBOYSK-UPJWGTAASA-N 0 1 397.422 2.769 20 0 GFADMN O=C([O-])c1ccc(OCCNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000739428099 600535001 /nfs/dbraw/zinc/53/50/01/600535001.db2.gz ZZJGPMUWTIAUAJ-LJQANCHMSA-N 0 1 397.475 2.727 20 0 GFADMN Cc1sc(NC(=O)C[N@H+](CCO)CCc2ccccc2)c(C(=O)[O-])c1C ZINC000738993557 600541891 /nfs/dbraw/zinc/54/18/91/600541891.db2.gz ZRCKCIUANGKTJG-UHFFFAOYSA-N 0 1 376.478 2.539 20 0 GFADMN Cc1sc(NC(=O)C[N@@H+](CCO)CCc2ccccc2)c(C(=O)[O-])c1C ZINC000738993557 600541892 /nfs/dbraw/zinc/54/18/92/600541892.db2.gz ZRCKCIUANGKTJG-UHFFFAOYSA-N 0 1 376.478 2.539 20 0 GFADMN O=C([O-])C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000739628600 600562024 /nfs/dbraw/zinc/56/20/24/600562024.db2.gz RARUGKCKKPDHIC-DZGCQCFKSA-N 0 1 396.285 2.501 20 0 GFADMN COCC[N@@H+](CCC(=O)[O-])CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000737794225 600640558 /nfs/dbraw/zinc/64/05/58/600640558.db2.gz KMYGGZAMKIVSBG-OAQYLSRUSA-N 0 1 396.487 2.584 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000736723444 600643572 /nfs/dbraw/zinc/64/35/72/600643572.db2.gz GDPOEVQOPODRKY-LPHOPBHVSA-N 0 1 397.475 2.785 20 0 GFADMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736827823 600644878 /nfs/dbraw/zinc/64/48/78/600644878.db2.gz VHZDOBUPWJUKAI-ZYHUDNBSSA-N 0 1 386.279 2.799 20 0 GFADMN CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)[C@@H](C)C1 ZINC000737166051 600647717 /nfs/dbraw/zinc/64/77/17/600647717.db2.gz ASQHJVRLOONETB-LPHOPBHVSA-N 0 1 391.512 2.663 20 0 GFADMN C[NH+](C)[C@@H](C(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737360322 600648104 /nfs/dbraw/zinc/64/81/04/600648104.db2.gz IBJUYUOOXBXPAH-GOSISDBHSA-N 0 1 376.840 2.723 20 0 GFADMN COC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000831419002 600663931 /nfs/dbraw/zinc/66/39/31/600663931.db2.gz PATMWGDHKFMPRR-AWEZNQCLSA-N 0 1 399.447 2.813 20 0 GFADMN Cc1oc(CN(C)C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000738967364 600681755 /nfs/dbraw/zinc/68/17/55/600681755.db2.gz NDOCUYFHTXPBJQ-KRWDZBQOSA-N 0 1 386.448 2.536 20 0 GFADMN Cc1oc(CN(C)C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000738967364 600681757 /nfs/dbraw/zinc/68/17/57/600681757.db2.gz NDOCUYFHTXPBJQ-KRWDZBQOSA-N 0 1 386.448 2.536 20 0 GFADMN C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1cccs1 ZINC000737359064 600691097 /nfs/dbraw/zinc/69/10/97/600691097.db2.gz RNDULMSESSOCJQ-CYBMUJFWSA-N 0 1 388.898 2.681 20 0 GFADMN COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832430913 600691475 /nfs/dbraw/zinc/69/14/75/600691475.db2.gz KLZNMPQQBDRLHL-ABAIWWIYSA-N 0 1 390.461 2.920 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000739659987 600704709 /nfs/dbraw/zinc/70/47/09/600704709.db2.gz XMUQZELXGRZBQI-NSHDSACASA-N 0 1 397.294 2.614 20 0 GFADMN C[C@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809553 600715651 /nfs/dbraw/zinc/71/56/51/600715651.db2.gz LXLRUNMGGICXHY-XJKSGUPXSA-N 0 1 391.468 2.558 20 0 GFADMN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736809553 600715652 /nfs/dbraw/zinc/71/56/52/600715652.db2.gz LXLRUNMGGICXHY-XJKSGUPXSA-N 0 1 391.468 2.558 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C(=O)[O-])o2)[C@H]1c1cccs1 ZINC000830928508 600771369 /nfs/dbraw/zinc/77/13/69/600771369.db2.gz NSRTVBQOGKSLLW-WBMJQRKESA-N 0 1 377.466 2.922 20 0 GFADMN CC[NH+]1CCN(c2ccc(C(=O)OCc3cc(C(=O)[O-])co3)cc2F)CC1 ZINC000737117062 600804567 /nfs/dbraw/zinc/80/45/67/600804567.db2.gz UUIOQXQCZHRCGB-UHFFFAOYSA-N 0 1 376.384 2.616 20 0 GFADMN CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000830151222 600851668 /nfs/dbraw/zinc/85/16/68/600851668.db2.gz WRXMBUISGVSGGS-KURKYZTESA-N 0 1 376.522 2.631 20 0 GFADMN CC[N@@H+](CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(C)C ZINC000829709248 600855904 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1 382.892 2.713 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739384456 602148907 /nfs/dbraw/zinc/14/89/07/602148907.db2.gz GWSOQVDLRORPHZ-GOSISDBHSA-N 0 1 376.501 2.670 20 0 GFADMN CN(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000739584866 602149789 /nfs/dbraw/zinc/14/97/89/602149789.db2.gz SHGXPMLVQJQNGK-HOTGVXAUSA-N 0 1 394.541 2.744 20 0 GFADMN COc1ccc(NC(=O)[O-])c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000739916959 602171334 /nfs/dbraw/zinc/17/13/34/602171334.db2.gz CDFZKVFAXABNFE-UHFFFAOYSA-N 0 1 398.463 2.541 20 0 GFADMN C[N@H+]1CCCC[C@H]1CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000830941303 602199891 /nfs/dbraw/zinc/19/98/91/602199891.db2.gz WKUZNZKYAKEHKR-OALUTQOASA-N 0 1 379.932 2.958 20 0 GFADMN COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000832545274 602230675 /nfs/dbraw/zinc/23/06/75/602230675.db2.gz CUYHQOKDIFBFNB-MRXNPFEDSA-N 0 1 386.492 2.886 20 0 GFADMN 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ZINC000740690510 602368773 /nfs/dbraw/zinc/36/87/73/602368773.db2.gz CHUIRJKEWZJKEJ-IBGZPJMESA-N 0 1 385.439 2.869 20 0 GFADMN CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000739661319 602387543 /nfs/dbraw/zinc/38/75/43/602387543.db2.gz TWUQRUHMKUPXTP-UHFFFAOYSA-N 0 1 385.867 2.759 20 0 GFADMN O=C([O-])N[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000740592933 602439829 /nfs/dbraw/zinc/43/98/29/602439829.db2.gz CVGIIJSWTJBFTK-KRWDZBQOSA-N 0 1 377.460 2.829 20 0 GFADMN O=C([O-])N[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000740592933 602439832 /nfs/dbraw/zinc/43/98/32/602439832.db2.gz CVGIIJSWTJBFTK-KRWDZBQOSA-N 0 1 377.460 2.829 20 0 GFADMN O=C([O-])Nc1cccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000740027381 602448723 /nfs/dbraw/zinc/44/87/23/602448723.db2.gz RDZRVJPFJFXKLR-UHFFFAOYSA-N 0 1 398.463 2.536 20 0 GFADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739029191 602451302 /nfs/dbraw/zinc/45/13/02/602451302.db2.gz 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GFADMN C[NH+]1CCN([C@H](C(=O)Nc2cc(NC(=O)[O-])ccc2F)c2ccccc2)CC1 ZINC000739735133 602785518 /nfs/dbraw/zinc/78/55/18/602785518.db2.gz OUAKJEGYHDYHII-SFHVURJKSA-N 0 1 386.427 2.843 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000737764009 602809622 /nfs/dbraw/zinc/80/96/22/602809622.db2.gz OJXXQRUFSCASNV-HLLBOEOZSA-N 0 1 375.469 2.624 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000737764009 602809625 /nfs/dbraw/zinc/80/96/25/602809625.db2.gz OJXXQRUFSCASNV-HLLBOEOZSA-N 0 1 375.469 2.624 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739143979 602821159 /nfs/dbraw/zinc/82/11/59/602821159.db2.gz WBLXVBAYVQBICK-QAPCUYQASA-N 0 1 376.501 2.714 20 0 GFADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739268212 602852175 /nfs/dbraw/zinc/85/21/75/602852175.db2.gz MIPJUVKKIUOTAM-MRXNPFEDSA-N 0 1 376.501 2.797 20 0 GFADMN CN(Cc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000739712630 602997671 /nfs/dbraw/zinc/99/76/71/602997671.db2.gz HHFPMJKQQIZFDL-LJQANCHMSA-N 0 1 383.448 2.636 20 0 GFADMN CN(Cc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)[O-] ZINC000739712630 602997674 /nfs/dbraw/zinc/99/76/74/602997674.db2.gz HHFPMJKQQIZFDL-LJQANCHMSA-N 0 1 383.448 2.636 20 0 GFADMN C[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000738997502 603016459 /nfs/dbraw/zinc/01/64/59/603016459.db2.gz UHNRNPHNEQYOSW-NJZAAPMLSA-N 0 1 387.402 2.861 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739099726 603028037 /nfs/dbraw/zinc/02/80/37/603028037.db2.gz DGKSAENIMICXOA-SXLOBPIMSA-N 0 1 387.524 2.978 20 0 GFADMN C[C@@H](c1ccc(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000737720615 603029867 /nfs/dbraw/zinc/02/98/67/603029867.db2.gz IQKIOMLYDJSSAH-HNNXBMFYSA-N 0 1 390.484 2.686 20 0 GFADMN C[C@@H](c1ccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1)[NH+]1CCOCC1 ZINC000739059081 603140028 /nfs/dbraw/zinc/14/00/28/603140028.db2.gz RUTXVDKRLZYZEN-NNGSBXSVSA-N 0 1 390.484 2.780 20 0 GFADMN O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000740565579 603250517 /nfs/dbraw/zinc/25/05/17/603250517.db2.gz ROSWKAVPMMVQND-IEBWSBKVSA-N 0 1 385.508 2.862 20 0 GFADMN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000739034390 603273910 /nfs/dbraw/zinc/27/39/10/603273910.db2.gz MFVAJVTZRNLBQV-JKSUJKDBSA-N 0 1 378.492 2.618 20 0 GFADMN O=C([O-])NC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832404226 603319524 /nfs/dbraw/zinc/31/95/24/603319524.db2.gz YRZNOHHZPGTMHG-VQTJNVASSA-N 0 1 381.476 2.819 20 0 GFADMN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740302416 603330979 /nfs/dbraw/zinc/33/09/79/603330979.db2.gz TWWQPXRBBRIVOD-LSDHHAIUSA-N 0 1 391.516 2.653 20 0 GFADMN Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740302416 603330982 /nfs/dbraw/zinc/33/09/82/603330982.db2.gz TWWQPXRBBRIVOD-LSDHHAIUSA-N 0 1 391.516 2.653 20 0 GFADMN Cc1nc(-c2cccc(C(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)c2)cs1 ZINC000830691104 603348957 /nfs/dbraw/zinc/34/89/57/603348957.db2.gz KQIBBNNGQMRABL-UHFFFAOYSA-N 0 1 388.493 2.534 20 0 GFADMN C[N@@H+]1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000828494196 603436107 /nfs/dbraw/zinc/43/61/07/603436107.db2.gz HZARFBXVNBGORW-WOJBJXKFSA-N 0 1 381.476 2.771 20 0 GFADMN C[N@H+]1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000828494196 603436109 /nfs/dbraw/zinc/43/61/09/603436109.db2.gz HZARFBXVNBGORW-WOJBJXKFSA-N 0 1 381.476 2.771 20 0 GFADMN O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000740016115 603452827 /nfs/dbraw/zinc/45/28/27/603452827.db2.gz CBNGQTHQRNEHLL-GOSISDBHSA-N 0 1 382.464 2.742 20 0 GFADMN 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/nfs/dbraw/zinc/42/57/04/606425704.db2.gz MADPQSBDLWDBIK-YGRLFVJLSA-N 0 1 384.465 2.889 20 0 GFADMN CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)ccc2NC1=O ZINC000821000927 606425707 /nfs/dbraw/zinc/42/57/07/606425707.db2.gz MADPQSBDLWDBIK-YGRLFVJLSA-N 0 1 384.465 2.889 20 0 GFADMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)ccc2NC1=O ZINC000821000926 606425771 /nfs/dbraw/zinc/42/57/71/606425771.db2.gz MADPQSBDLWDBIK-QMTHXVAHSA-N 0 1 384.465 2.889 20 0 GFADMN CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)ccc2NC1=O ZINC000821000926 606425774 /nfs/dbraw/zinc/42/57/74/606425774.db2.gz MADPQSBDLWDBIK-QMTHXVAHSA-N 0 1 384.465 2.889 20 0 GFADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)Oc1ccccc1Br ZINC000820275111 606427155 /nfs/dbraw/zinc/42/71/55/606427155.db2.gz NVEZSTJPQQNUCY-JTQLQIEISA-N 0 1 378.230 2.779 20 0 GFADMN Cn1c(Cl)nc(Cl)c1CNCCSCc1ccccc1-c1nn[nH]n1 ZINC000822600681 606472586 /nfs/dbraw/zinc/47/25/86/606472586.db2.gz PMIFYBMJFAQQMM-UHFFFAOYSA-N 0 1 398.323 2.930 20 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ZINC000820108542 606781225 /nfs/dbraw/zinc/78/12/25/606781225.db2.gz MOMGADJQXCJNPY-INIZCTEOSA-N 0 1 392.511 2.566 20 0 GFADMN CC(C)Cc1ccc(C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000820108542 606781226 /nfs/dbraw/zinc/78/12/26/606781226.db2.gz MOMGADJQXCJNPY-INIZCTEOSA-N 0 1 392.511 2.566 20 0 GFADMN c1cc(CN2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000823762199 606882607 /nfs/dbraw/zinc/88/26/07/606882607.db2.gz MEHSRGKJLSXUPB-UHFFFAOYSA-N 0 1 384.509 2.515 20 0 GFADMN C[C@@H](CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000820241146 606887415 /nfs/dbraw/zinc/88/74/15/606887415.db2.gz FBVLFORLMCOIAQ-NSHDSACASA-N 0 1 393.419 2.617 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)NC2CCC(C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821979719 606967783 /nfs/dbraw/zinc/96/77/83/606967783.db2.gz VMCNNBRXHKBXCC-UHFFFAOYSA-N 0 1 376.486 2.634 20 0 GFADMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819939523 607059733 /nfs/dbraw/zinc/05/97/33/607059733.db2.gz FMEMCTSYUNTYGD-HNNXBMFYSA-N 0 1 390.463 2.885 20 0 GFADMN Fc1cccc(CN2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000822786089 607077577 /nfs/dbraw/zinc/07/75/77/607077577.db2.gz CVQVULAYGTWOJF-UHFFFAOYSA-N 0 1 391.454 2.576 20 0 GFADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000820300979 607078179 /nfs/dbraw/zinc/07/81/79/607078179.db2.gz UDFPMWVBQBGOSX-CYBMUJFWSA-N 0 1 391.435 2.685 20 0 GFADMN CCCCC[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000821048407 607165209 /nfs/dbraw/zinc/16/52/09/607165209.db2.gz CIXZEFYSRNYASE-LLVKDONJSA-N 0 1 376.486 2.874 20 0 GFADMN OC[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706928 607230101 /nfs/dbraw/zinc/23/01/01/607230101.db2.gz RUHQUFJFVVHGJS-LBPRGKRZSA-N 0 1 397.426 2.888 20 0 GFADMN OC[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706928 607230102 /nfs/dbraw/zinc/23/01/02/607230102.db2.gz RUHQUFJFVVHGJS-LBPRGKRZSA-N 0 1 397.426 2.888 20 0 GFADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886277 607795533 /nfs/dbraw/zinc/79/55/33/607795533.db2.gz WRVPFXLQLYFGII-GDBMZVCRSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886277 607795534 /nfs/dbraw/zinc/79/55/34/607795534.db2.gz WRVPFXLQLYFGII-GDBMZVCRSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886277 607795535 /nfs/dbraw/zinc/79/55/35/607795535.db2.gz WRVPFXLQLYFGII-GDBMZVCRSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@@H]1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886277 607795536 /nfs/dbraw/zinc/79/55/36/607795536.db2.gz WRVPFXLQLYFGII-GDBMZVCRSA-N 0 1 396.520 2.959 20 0 GFADMN CC1(c2ccccc2)CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824843173 607800848 /nfs/dbraw/zinc/80/08/48/607800848.db2.gz BIPVMYYIHUHZJF-UHFFFAOYSA-N 0 1 390.491 2.537 20 0 GFADMN CC[C@H](C)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825061199 607816177 /nfs/dbraw/zinc/81/61/77/607816177.db2.gz WVZUJWBZSICGSL-YOEHRIQHSA-N 0 1 377.514 2.541 20 0 GFADMN CC(C)CC[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824243767 607829286 /nfs/dbraw/zinc/82/92/86/607829286.db2.gz NVRBZRDFFIGPEE-MRXNPFEDSA-N 0 1 377.514 2.541 20 0 GFADMN CCOc1ccccc1CN(C)Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825653795 607921698 /nfs/dbraw/zinc/92/16/98/607921698.db2.gz KBZDVTLACDAKMF-UHFFFAOYSA-N 0 1 381.436 2.684 20 0 GFADMN C[C@H]1CN(CCCNc2ccc(-c3nn[nH]n3)cc2Br)C[C@H](C)O1 ZINC000824983944 607988358 /nfs/dbraw/zinc/98/83/58/607988358.db2.gz DMQWJOYHKDYUSW-RYUDHWBXSA-N 0 1 395.305 2.540 20 0 GFADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826455368 608000284 /nfs/dbraw/zinc/00/02/84/608000284.db2.gz KZSMLSHFEXSSQZ-UHFFFAOYSA-N 0 1 390.741 2.981 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3C(C)(C)C2)cc1-c1nn[nH]n1 ZINC000826229576 608032950 /nfs/dbraw/zinc/03/29/50/608032950.db2.gz JIUIXBVDEIQHRY-UHFFFAOYSA-N 0 1 396.476 2.623 20 0 GFADMN Cc1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cnc1Cl ZINC000826272250 608107873 /nfs/dbraw/zinc/10/78/73/608107873.db2.gz AIKLWGILYWHURU-UHFFFAOYSA-N 0 1 385.236 2.678 20 0 GFADMN O=c1c(-c2nn[nH]n2)cn(Cc2ccc(Oc3ccccc3)nn2)c2ccccc21 ZINC000826501349 608231278 /nfs/dbraw/zinc/23/12/78/608231278.db2.gz LXWCPSDMPZIYES-UHFFFAOYSA-N 0 1 397.398 2.812 20 0 GFADMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(N2CCOC2=O)c1 ZINC000824618193 608474186 /nfs/dbraw/zinc/47/41/86/608474186.db2.gz MWBAVYGHMGPJTN-LBPRGKRZSA-N 0 1 382.399 2.813 20 0 GFADMN CCc1ccc(CN(C)C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000825712747 608532062 /nfs/dbraw/zinc/53/20/62/608532062.db2.gz WWNHXIXKLVRABA-UHFFFAOYSA-N 0 1 390.491 2.666 20 0 GFADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824506063 608559878 /nfs/dbraw/zinc/55/98/78/608559878.db2.gz KMVBNALNJUHKDL-GXTWGEPZSA-N 0 1 376.461 2.727 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974710 608597184 /nfs/dbraw/zinc/59/71/84/608597184.db2.gz DHLOLGFIBNFXPM-LSDHHAIUSA-N 0 1 392.463 2.824 20 0 GFADMN CN(CCCOc1ccc(F)cc1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825923579 608598298 /nfs/dbraw/zinc/59/82/98/608598298.db2.gz MXBCFYGFFSUAEV-UHFFFAOYSA-N 0 1 381.415 2.554 20 0 GFADMN CC(C)c1cnc(CN(C)[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)cs3)C2)o1 ZINC000824352788 608739012 /nfs/dbraw/zinc/73/90/12/608739012.db2.gz NRUNMHPYXPYERB-CQSZACIVSA-N 0 1 387.513 2.746 20 0 GFADMN CN(Cc1ccc(-c2nn[nH]n2)s1)[C@@H](CO)c1cccc(Br)c1 ZINC000825961425 608740666 /nfs/dbraw/zinc/74/06/66/608740666.db2.gz FBCKKRBOYBIHNT-ZDUSSCGKSA-N 0 1 394.298 2.856 20 0 GFADMN c1ccc2c(c1)OCC[C@H]2CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513689 608852124 /nfs/dbraw/zinc/85/21/24/608852124.db2.gz SUJIDFKLTIBMDX-FXAWDEMLSA-N 0 1 377.448 2.806 20 0 GFADMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2sccc2-c2nn[nH]n2)cc1 ZINC000826188611 608863699 /nfs/dbraw/zinc/86/36/99/608863699.db2.gz BKDUTFQHJXJSTN-MRXNPFEDSA-N 0 1 398.492 2.504 20 0 GFADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826321794 609311805 /nfs/dbraw/zinc/31/18/05/609311805.db2.gz PUZMCHUVTQPIBW-UHFFFAOYSA-N 0 1 395.402 2.599 20 0 GFADMN COc1cc(C)ccc1CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826178438 609341098 /nfs/dbraw/zinc/34/10/98/609341098.db2.gz YBASWIOYEWJHPK-UHFFFAOYSA-N 0 1 389.463 2.874 20 0 GFADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000823820941 609364958 /nfs/dbraw/zinc/36/49/58/609364958.db2.gz MTUOTCZOSLAUKM-UHFFFAOYSA-N 0 1 388.273 2.732 20 0 GFADMN Clc1cc(N2CCC(CCCN3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC000826350784 609559001 /nfs/dbraw/zinc/55/90/01/609559001.db2.gz LBFGPPAQIPDOJF-UHFFFAOYSA-N 0 1 390.919 2.849 20 0 GFADMN COC(=O)C1=NOC2(C1)CCN(Cc1ccc(OC)cc1Br)CC2 ZINC000817276331 660188629 /nfs/dbraw/zinc/18/86/29/660188629.db2.gz ZXAPVVVNFWVVSO-UHFFFAOYSA-N 0 1 397.269 2.742 20 0 GFADMN Brc1csc([C@H](NC[C@@H]2COC3(CCOCC3)O2)C2CC2)n1 ZINC000817580562 660201517 /nfs/dbraw/zinc/20/15/17/660201517.db2.gz LHQCDQZTHZBNEP-DGCLKSJQSA-N 0 1 389.315 2.868 20 0 GFADMN CC(C)(NC(=O)C(F)(F)F)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000818931273 660235801 /nfs/dbraw/zinc/23/58/01/660235801.db2.gz AKSOFFRWGXXXFB-LBPRGKRZSA-N 0 1 378.778 2.777 20 0 GFADMN O=S(=O)(CCNC[C@@H](O)c1ccccc1Br)c1ccccc1 ZINC000818976534 660240424 /nfs/dbraw/zinc/24/04/24/660240424.db2.gz IMTXMSISPKBABM-MRXNPFEDSA-N 0 1 384.295 2.546 20 0 GFADMN Cc1sc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Br ZINC000819041615 660244376 /nfs/dbraw/zinc/24/43/76/660244376.db2.gz AJTNFCXUHOQJDW-UHFFFAOYSA-N 0 1 386.271 2.719 20 0 GFADMN O=S(=O)(CCNC[C@H](O)c1ccc(Cl)c(F)c1)CCc1ccccc1 ZINC000819290490 660253750 /nfs/dbraw/zinc/25/37/50/660253750.db2.gz DFRIDDNHSJOKLG-SFHVURJKSA-N 0 1 385.888 2.760 20 0 GFADMN Cc1cc2cc(S(=O)(=O)N3CCC[C@H]4CN(C)C[C@H]43)ccc2nc1Cl ZINC000819912181 660274402 /nfs/dbraw/zinc/27/44/02/660274402.db2.gz PQNIWSOKFZHMJH-SUMWQHHRSA-N 0 1 379.913 2.911 20 0 GFADMN CC[C@@H](CC(F)(F)F)NC(=O)c1cnc(I)c(O)c1 ZINC000821949684 660337180 /nfs/dbraw/zinc/33/71/80/660337180.db2.gz LJYKGVDFIFNWMY-ZETCQYMHSA-N 0 1 388.127 2.853 20 0 GFADMN Ic1cnc2ccc(-c3noc([C@@H]4CCCCN4)n3)cn12 ZINC000823116025 660362236 /nfs/dbraw/zinc/36/22/36/660362236.db2.gz PCZDIUZWLTUHTJ-JTQLQIEISA-N 0 1 395.204 2.804 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)Nc2cc(Br)ncc2C)CC1 ZINC000824294364 660389085 /nfs/dbraw/zinc/38/90/85/660389085.db2.gz QKHCJRXHUGIMBV-UHFFFAOYSA-N 0 1 385.306 2.727 20 0 GFADMN C[C@@](N)(C(=O)NC[C@H]1COc2ccccc2C1)c1ccc(Br)cc1 ZINC000825993633 660447181 /nfs/dbraw/zinc/44/71/81/660447181.db2.gz ARBBLTWABXXFCZ-DJJJIMSYSA-N 0 1 389.293 2.991 20 0 GFADMN O=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1ccc(Br)c(F)c1 ZINC000826492735 660455563 /nfs/dbraw/zinc/45/55/63/660455563.db2.gz ANDDCBCCDNIOBT-UHFFFAOYSA-N 0 1 398.217 2.569 20 0 GFADMN CN(C)[C@H](CNC(=O)c1cc(Br)n(C)n1)c1ccc(Cl)cc1 ZINC000826586427 660458260 /nfs/dbraw/zinc/45/82/60/660458260.db2.gz ZULMCIUPXROWDH-CYBMUJFWSA-N 0 1 385.693 2.869 20 0 GFADMN O=C1OCCN1[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 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COCCN1CCCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 ZINC000762961612 656066959 /nfs/dbraw/zinc/06/69/59/656066959.db2.gz PIORBMFQCRAICU-AWEZNQCLSA-N 0 1 379.551 2.958 20 0 GFADMN COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000763034741 656068930 /nfs/dbraw/zinc/06/89/30/656068930.db2.gz VYBDMPQRZBJJPB-MRXNPFEDSA-N 0 1 393.237 2.723 20 0 GFADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)C[C@@H]1N(C)C ZINC000767313925 656199493 /nfs/dbraw/zinc/19/94/93/656199493.db2.gz BHOATEQBGPWXIC-ZWKOTPCHSA-N 0 1 384.567 2.674 20 0 GFADMN CN(C)c1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)c(C(N)=O)c1 ZINC000768886121 656258811 /nfs/dbraw/zinc/25/88/11/656258811.db2.gz ACGOIUPRRDVBGP-HJWRWDBZSA-N 0 1 379.869 2.918 20 0 GFADMN COCCS(=O)(=O)CCCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000769227482 656268015 /nfs/dbraw/zinc/26/80/15/656268015.db2.gz DESBDPKTYLSPSA-UHFFFAOYSA-N 0 1 375.481 2.671 20 0 GFADMN COCCOC[C@@H]1CCN(Cc2ccccc2I)C1 ZINC000769507754 656278850 /nfs/dbraw/zinc/27/88/50/656278850.db2.gz OBRWMZVFHUCNQR-CYBMUJFWSA-N 0 1 375.250 2.776 20 0 GFADMN COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC000771163086 656341789 /nfs/dbraw/zinc/34/17/89/656341789.db2.gz WMCKAEDYTPXCIR-UHFFFAOYSA-N 0 1 391.232 2.741 20 0 GFADMN CS[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1N1CCCC1 ZINC000772581636 656383511 /nfs/dbraw/zinc/38/35/11/656383511.db2.gz WEJSZKRGCZNOMH-HUUCEWRRSA-N 0 1 376.494 2.699 20 0 GFADMN COc1cc([C@@H](C)N[C@@H](CO)CC(F)(F)F)ccc1S(=O)(=O)C(F)F ZINC000773107477 656399762 /nfs/dbraw/zinc/39/97/62/656399762.db2.gz PPEPZAMJWOPFLM-PSASIEDQSA-N 0 1 391.358 2.655 20 0 GFADMN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000773156725 656401792 /nfs/dbraw/zinc/40/17/92/656401792.db2.gz CRLUCCRRGNVNJI-UFBFGSQYSA-N 0 1 388.280 2.591 20 0 GFADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCSC[C@H]1c1nn[nH]n1 ZINC000773164444 656402376 /nfs/dbraw/zinc/40/23/76/656402376.db2.gz XLVFLEMXDGATCT-LOWVWBTDSA-N 0 1 384.292 2.927 20 0 GFADMN O=C(CSc1nc2ccccc2s1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000773315708 656410889 /nfs/dbraw/zinc/41/08/89/656410889.db2.gz MIHHCPHASVOXMB-SNVBAGLBSA-N 0 1 376.463 2.883 20 0 GFADMN C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2o1)C1=CCN(C)CC1 ZINC000841415779 661262753 /nfs/dbraw/zinc/26/27/53/661262753.db2.gz HJXIZYBZOCWDKC-LLVKDONJSA-N 0 1 391.265 2.936 20 0 GFADMN COc1ccc([C@@H](CCO)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000774844825 656561988 /nfs/dbraw/zinc/56/19/88/656561988.db2.gz AJIQKIPJHWOOCA-GOSISDBHSA-N 0 1 383.897 2.836 20 0 GFADMN Cc1ccc(C=CC(=O)N2CCC[C@H](c3nn[nH]n3)C2)c(Br)c1 ZINC000775188873 656612314 /nfs/dbraw/zinc/61/23/14/656612314.db2.gz FDNZVBWMVXDJFQ-FWWRYZNZSA-N 0 1 376.258 2.690 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Br)ncc2C)cs1 ZINC000775211867 656616387 /nfs/dbraw/zinc/61/63/87/656616387.db2.gz LGWUUZLXVRJCME-UHFFFAOYSA-N 0 1 391.268 2.801 20 0 GFADMN CS(=O)(=O)C[C@H](NC[C@H](O)c1cccc(Br)c1)c1ccccc1 ZINC000775550085 656648361 /nfs/dbraw/zinc/64/83/61/656648361.db2.gz XEDJHMXGIVGODB-IRXDYDNUSA-N 0 1 398.322 2.858 20 0 GFADMN C[C@H]1CCC[C@H](C)[NH+]1CC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000775697400 656667149 /nfs/dbraw/zinc/66/71/49/656667149.db2.gz CRZZVHQGDVMUOL-IUCAKERBSA-N 0 1 386.386 2.923 20 0 GFADMN NC(=O)c1n[nH]c2ccc(NC(=O)c3cc(Br)ncc3Cl)cc21 ZINC000779824775 656945827 /nfs/dbraw/zinc/94/58/27/656945827.db2.gz SZJFTERBBBRIBH-UHFFFAOYSA-N 0 1 394.616 2.725 20 0 GFADMN CCO[C@@H]1C[C@](CO)(NCc2ccccc2I)C1(C)C ZINC000780590010 657015578 /nfs/dbraw/zinc/01/55/78/657015578.db2.gz KSQZJIYDQFCTFM-GDBMZVCRSA-N 0 1 389.277 2.947 20 0 GFADMN O=C(NN1CCc2ccccc2C1=O)c1[nH]nc2ccc(Br)cc21 ZINC000780714335 657024836 /nfs/dbraw/zinc/02/48/36/657024836.db2.gz SHCPZBWIUDHBNJ-UHFFFAOYSA-N 0 1 385.221 2.669 20 0 GFADMN CCN(CCNS(=O)(=O)c1ccc(Br)c(C(C)=O)c1)C(C)C ZINC000780857562 657033311 /nfs/dbraw/zinc/03/33/11/657033311.db2.gz YLVYSGAERFAQJC-UHFFFAOYSA-N 0 1 391.331 2.660 20 0 GFADMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cnn(-c2ccccc2)c1Br ZINC000782167854 657109636 /nfs/dbraw/zinc/10/96/36/657109636.db2.gz UHWBTKNHFXWAMN-GFCCVEGCSA-N 0 1 375.270 2.601 20 0 GFADMN O=C(CCCCc1cn[nH]n1)OCc1cc2c(c(Br)c1)OCO2 ZINC000782312643 657129059 /nfs/dbraw/zinc/12/90/59/657129059.db2.gz VESUQIDQNSSOGS-UHFFFAOYSA-N 0 1 382.214 2.752 20 0 GFADMN O=C(OCCOCCNC(=O)C(F)(F)F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782646587 657169618 /nfs/dbraw/zinc/16/96/18/657169618.db2.gz PZBACLFUGLMUSM-UWVGGRQHSA-N 0 1 379.297 2.593 20 0 GFADMN O=C1NCC2(CCN(Cc3cnn(-c4ccc(Br)cc4)c3)CC2)O1 ZINC000783721733 657253858 /nfs/dbraw/zinc/25/38/58/657253858.db2.gz LSGXKWNGRMBBMT-UHFFFAOYSA-N 0 1 391.269 2.709 20 0 GFADMN COCCS(=O)(=O)CCCN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482305 657313147 /nfs/dbraw/zinc/31/31/47/657313147.db2.gz HDWHOVKOCBKCBB-OAHLLOKOSA-N 0 1 379.444 2.946 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000785019647 657336221 /nfs/dbraw/zinc/33/62/21/657336221.db2.gz UTTYWNMCMKEUKY-UHFFFAOYSA-N 0 1 378.841 2.612 20 0 GFADMN COc1ccc(Cl)cc1S(=O)(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000785019647 657336225 /nfs/dbraw/zinc/33/62/25/657336225.db2.gz UTTYWNMCMKEUKY-UHFFFAOYSA-N 0 1 378.841 2.612 20 0 GFADMN Cn1nc(Br)cc1CNCc1ccc(CN2CCCC2=O)cc1 ZINC000785430730 657364168 /nfs/dbraw/zinc/36/41/68/657364168.db2.gz CAIBIFIZHBQBON-UHFFFAOYSA-N 0 1 377.286 2.595 20 0 GFADMN Cn1ncc(Br)c1CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000785443480 657365292 /nfs/dbraw/zinc/36/52/92/657365292.db2.gz WTPXEWBRGASQEO-CYBMUJFWSA-N 0 1 394.191 2.904 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(OC(F)(F)Cl)cc2)C1 ZINC000786753407 657460171 /nfs/dbraw/zinc/46/01/71/657460171.db2.gz MWIJXBOIAUVAJR-OAHLLOKOSA-N 0 1 376.831 2.941 20 0 GFADMN CCOc1ccccc1N1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000788264020 657685125 /nfs/dbraw/zinc/68/51/25/657685125.db2.gz SEMOHFNJRRDNOP-UHFFFAOYSA-N 0 1 379.258 2.533 20 0 GFADMN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Br)n[nH]1 ZINC000788272411 657686324 /nfs/dbraw/zinc/68/63/24/657686324.db2.gz VSQPJTPDGPMKME-UHFFFAOYSA-N 0 1 381.211 2.805 20 0 GFADMN CN(C)[C@H](CNC(=O)C(=O)NCCSC(C)(C)C)c1ccc(Cl)cc1 ZINC000788371145 657703228 /nfs/dbraw/zinc/70/32/28/657703228.db2.gz JGBGJQNDRVGYRY-OAHLLOKOSA-N 0 1 385.961 2.707 20 0 GFADMN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000788556244 657744433 /nfs/dbraw/zinc/74/44/33/657744433.db2.gz WIHUGDNBTQOPNW-SNVBAGLBSA-N 0 1 385.770 2.945 20 0 GFADMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788645649 657760574 /nfs/dbraw/zinc/76/05/74/657760574.db2.gz QLXIPQJXSPVCHC-LLVKDONJSA-N 0 1 394.946 2.649 20 0 GFADMN CN(CCN[C@H]1CCc2ccc(Cl)nc21)S(=O)(=O)c1ccc(F)cc1 ZINC000788804725 657786540 /nfs/dbraw/zinc/78/65/40/657786540.db2.gz XVFFOLZXXSGCBR-HNNXBMFYSA-N 0 1 383.876 2.772 20 0 GFADMN Cn1cnc(S(=O)(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1Cl ZINC000788915563 657796851 /nfs/dbraw/zinc/79/68/51/657796851.db2.gz GNMVWCPERVIOJZ-OAHLLOKOSA-N 0 1 382.917 2.579 20 0 GFADMN CCS(=O)(=O)CCCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000789349043 657840411 /nfs/dbraw/zinc/84/04/11/657840411.db2.gz ZRMFFUILYZFCAD-CVEARBPZSA-N 0 1 376.563 2.827 20 0 GFADMN Cc1nn[nH]c1C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000790046563 657919741 /nfs/dbraw/zinc/91/97/41/657919741.db2.gz WNLQINZSPZJDJG-UHFFFAOYSA-N 0 1 379.258 2.697 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1Cl ZINC000790451643 657983931 /nfs/dbraw/zinc/98/39/31/657983931.db2.gz TZVBHRRGEWJUNW-OAHLLOKOSA-N 0 1 388.917 2.525 20 0 GFADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccn(CC(F)F)n1 ZINC000790511621 657994621 /nfs/dbraw/zinc/99/46/21/657994621.db2.gz IZISAFIMWMAFPB-UHFFFAOYSA-N 0 1 397.183 2.948 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790698137 658014131 /nfs/dbraw/zinc/01/41/31/658014131.db2.gz NZMUVVVQFCWNHH-AWEZNQCLSA-N 0 1 386.209 2.852 20 0 GFADMN Nc1nccc(N2CCC[C@@H](OC(=O)c3ccc(Br)cc3)C2)n1 ZINC000791107209 658059951 /nfs/dbraw/zinc/05/99/51/658059951.db2.gz KDOHGXJCVZVOSN-CYBMUJFWSA-N 0 1 377.242 2.647 20 0 GFADMN COc1cccc([C@@H](CNC(=O)Cc2cccnc2Br)N(C)C)c1 ZINC000791300551 658078127 /nfs/dbraw/zinc/07/81/27/658078127.db2.gz IWFJIUNRJVVVBU-MRXNPFEDSA-N 0 1 392.297 2.814 20 0 GFADMN CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792902392 658328431 /nfs/dbraw/zinc/32/84/31/658328431.db2.gz DJHOGCALIMNAPI-HYVNUMGLSA-N 0 1 387.307 2.900 20 0 GFADMN COc1cccc(OC)c1OC[C@H](O)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792909295 658329152 /nfs/dbraw/zinc/32/91/52/658329152.db2.gz STOXKAYROHBCLK-ISTRZQFTSA-N 0 1 390.307 2.959 20 0 GFADMN CC(C)[C@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)N(C)C ZINC000793373462 658391467 /nfs/dbraw/zinc/39/14/67/658391467.db2.gz WQBTWLFXVUHFFS-OAHLLOKOSA-N 0 1 381.274 2.659 20 0 GFADMN CCOC(=O)N1CC[C@@H](NCc2ccc(C(=O)OC)cc2Br)C1 ZINC000793589611 658413912 /nfs/dbraw/zinc/41/39/12/658413912.db2.gz JCKJOXZXVFBIGR-CYBMUJFWSA-N 0 1 385.258 2.556 20 0 GFADMN CC(C)Oc1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1C(N)=O ZINC000794614524 658577875 /nfs/dbraw/zinc/57/78/75/658577875.db2.gz RURKMOKXTMHATI-UHFFFAOYSA-N 0 1 387.820 2.561 20 0 GFADMN CCCN(CCN1CCCCC1)S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000796125184 658894394 /nfs/dbraw/zinc/89/43/94/658894394.db2.gz GVXFUABLBMZSLG-UHFFFAOYSA-N 0 1 375.922 2.630 20 0 GFADMN C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(I)c1O ZINC000797753362 659047193 /nfs/dbraw/zinc/04/71/93/659047193.db2.gz CEPGCHWTOIRWIS-JTQLQIEISA-N 0 1 389.233 2.620 20 0 GFADMN COc1nc(C(=O)OCc2c(F)ccc(Br)c2F)cc(=O)[nH]1 ZINC000797870165 659061818 /nfs/dbraw/zinc/06/18/18/659061818.db2.gz HYICHIBLNCPLSL-UHFFFAOYSA-N 0 1 375.125 2.589 20 0 GFADMN CSc1c(F)cccc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000797922607 659064873 /nfs/dbraw/zinc/06/48/73/659064873.db2.gz FKSZQMAQEDLODU-UHFFFAOYSA-N 0 1 380.422 2.727 20 0 GFADMN O=C(c1cc(C(F)(F)F)cc(Cl)n1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000798173884 659078970 /nfs/dbraw/zinc/07/89/70/659078970.db2.gz JGZMWLISZWWIKP-NSHDSACASA-N 0 1 377.794 2.548 20 0 GFADMN NS(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2O)ccc1Cl ZINC000798339918 659095967 /nfs/dbraw/zinc/09/59/67/659095967.db2.gz MVMCZMBTVHXELZ-UHFFFAOYSA-N 0 1 379.196 2.738 20 0 GFADMN Cc1cnc(Br)cc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000799644534 659204816 /nfs/dbraw/zinc/20/48/16/659204816.db2.gz PNJWSXRBSGSJGW-UHFFFAOYSA-N 0 1 398.282 2.655 20 0 GFADMN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000799639817 659204898 /nfs/dbraw/zinc/20/48/98/659204898.db2.gz HQEAPYKYCUIEJQ-UHFFFAOYSA-N 0 1 387.433 2.899 20 0 GFADMN O=C(NC[C@H](O)c1cccc(Br)c1)c1n[nH]nc1-c1ccccc1 ZINC000800586487 659321104 /nfs/dbraw/zinc/32/11/04/659321104.db2.gz GUDLSBLIPYIYGX-AWEZNQCLSA-N 0 1 387.237 2.698 20 0 GFADMN COc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)nc1Br ZINC000804533041 659653927 /nfs/dbraw/zinc/65/39/27/659653927.db2.gz SXCORFGZQQMLQG-UHFFFAOYSA-N 0 1 390.281 2.809 20 0 GFADMN C[C@H]1CCN(C(=O)NC[C@@H]2CC2(Cl)Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804942803 659699973 /nfs/dbraw/zinc/69/99/73/659699973.db2.gz WQHYZOIFYWXGRS-XKNYDFJKSA-N 0 1 390.233 2.667 20 0 GFADMN C[C@@](O)(CNS(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000805048107 659726609 /nfs/dbraw/zinc/72/66/09/659726609.db2.gz JKFGDUPYQPTGHK-OAHLLOKOSA-N 0 1 379.787 2.943 20 0 GFADMN CS(=O)(=O)Nc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)ccc1F ZINC000805262025 659762871 /nfs/dbraw/zinc/76/28/71/659762871.db2.gz USYZOHHDTCGNQX-UHFFFAOYSA-N 0 1 376.768 2.948 20 0 GFADMN CNC(=O)OC[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000805824795 659807866 /nfs/dbraw/zinc/80/78/66/659807866.db2.gz FRYAGZRYFWDMLC-UONOGXRCSA-N 0 1 391.295 2.944 20 0 GFADMN Cc1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(Cl)n1 ZINC000807802762 659865737 /nfs/dbraw/zinc/86/57/37/659865737.db2.gz QFADAKSAVRUSCX-PEXQALLHSA-N 0 1 377.794 2.961 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)/C(C)=C/c2ccccc2Cl)ccc1O ZINC000808043785 659874155 /nfs/dbraw/zinc/87/41/55/659874155.db2.gz OLVUZRKFHZROGF-PKNBQFBNSA-N 0 1 380.853 2.996 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)/C(C)=C/c2ccc(Cl)cc2)ccc1O ZINC000808043710 659874245 /nfs/dbraw/zinc/87/42/45/659874245.db2.gz MUFXCGOTFHKECF-PKNBQFBNSA-N 0 1 380.853 2.996 20 0 GFADMN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)nc3C)cc21 ZINC000808075076 659875663 /nfs/dbraw/zinc/87/56/63/659875663.db2.gz PRVCUKYJGTXALR-UHFFFAOYSA-N 0 1 380.813 2.507 20 0 GFADMN Brc1c(CN[C@H]2CCOC3(CCOCC3)C2)nc2ccccn21 ZINC000809626949 659934376 /nfs/dbraw/zinc/93/43/76/659934376.db2.gz MSQNDQYYWGHDLV-ZDUSSCGKSA-N 0 1 380.286 2.915 20 0 GFADMN COc1ccc(-c2n[nH]c(SCc3cnn(C)n3)n2)cc1Br ZINC000809964255 659953994 /nfs/dbraw/zinc/95/39/94/659953994.db2.gz NIOWFTCLGUBDSU-UHFFFAOYSA-N 0 1 381.259 2.664 20 0 GFADMN C[C@H](C(=O)NC1CC1)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810047985 659957765 /nfs/dbraw/zinc/95/77/65/659957765.db2.gz RHZRCLNXIRNZQQ-MRRJBJDNSA-N 0 1 381.314 2.862 20 0 GFADMN CCN(CC)CCS(=O)(=O)Oc1cc(F)c(Br)cc1C(C)=O ZINC000810058137 659958483 /nfs/dbraw/zinc/95/84/83/659958483.db2.gz KWFKWUXDPRVHFM-UHFFFAOYSA-N 0 1 396.278 2.841 20 0 GFADMN COC[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000810211143 659966383 /nfs/dbraw/zinc/96/63/83/659966383.db2.gz NTCDVJXKTZBYGV-GOSISDBHSA-N 0 1 382.913 2.737 20 0 GFADMN C[C@@H]1CCCN1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000811171294 660003400 /nfs/dbraw/zinc/00/34/00/660003400.db2.gz WLSIZEXJEHOQNF-CYBMUJFWSA-N 0 1 379.298 2.650 20 0 GFADMN Cc1[nH]nc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1Br ZINC000811614717 660013679 /nfs/dbraw/zinc/01/36/79/660013679.db2.gz PDEWNJMSKMQNJR-CYBMUJFWSA-N 0 1 375.270 2.758 20 0 GFADMN O=S(=O)(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)s1 ZINC000812500102 660027957 /nfs/dbraw/zinc/02/79/57/660027957.db2.gz RJLUJTIDEIVJMV-LBPRGKRZSA-N 0 1 398.472 2.689 20 0 GFADMN Nc1nccc(N2CCC[C@H](OC(=O)Cc3cscc3Br)C2)n1 ZINC000816055247 660141595 /nfs/dbraw/zinc/14/15/95/660141595.db2.gz BBSGIRXCMYNBAJ-NSHDSACASA-N 0 1 397.298 2.638 20 0 GFADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(Br)nn2C)cc1 ZINC000816710112 660166145 /nfs/dbraw/zinc/16/61/45/660166145.db2.gz AQEFVZARQMXJER-UHFFFAOYSA-N 0 1 376.214 2.834 20 0 GFADMN CN1CCN(c2cc(CNC(=O)c3nc(Cl)sc3Cl)ccn2)CC1 ZINC000816886005 660171235 /nfs/dbraw/zinc/17/12/35/660171235.db2.gz NHHGKMKVXWLQTQ-UHFFFAOYSA-N 0 1 386.308 2.527 20 0 GFADMN CC(C)(C)c1nc(CNS(=O)(=O)C=Cc2ccc(Br)cc2)n[nH]1 ZINC000841538297 661293656 /nfs/dbraw/zinc/29/36/56/661293656.db2.gz DCDZTCRUJLIRGI-CMDGGOBGSA-N 0 1 399.314 2.955 20 0 GFADMN COc1ccc(-c2nc([C@H](N)CC(C)C)no2)nc1I ZINC000842586259 661344620 /nfs/dbraw/zinc/34/46/20/661344620.db2.gz OISJDHZCZIMIMN-MRVPVSSYSA-N 0 1 388.209 2.791 20 0 GFADMN CCc1nncn1CCNCc1cc(OC(F)F)ccc1Br ZINC000842684905 661349118 /nfs/dbraw/zinc/34/91/18/661349118.db2.gz LZNAYAYTVFMUDK-UHFFFAOYSA-N 0 1 375.217 2.994 20 0 GFADMN C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)[C@H](O)c1ccccc1 ZINC000843064459 661365736 /nfs/dbraw/zinc/36/57/36/661365736.db2.gz YRKQWTDCFFOFAR-DYVFJYSZSA-N 0 1 398.322 2.935 20 0 GFADMN C[C@@H]1C[C@H](NCc2ccc(S(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 ZINC000843407041 661380085 /nfs/dbraw/zinc/38/00/85/661380085.db2.gz XSSSVMMRKHITKO-OLZOCXBDSA-N 0 1 388.555 2.887 20 0 GFADMN Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000844299820 661413117 /nfs/dbraw/zinc/41/31/17/661413117.db2.gz GNGSTCWEPJXADS-TXEJJXNPSA-N 0 1 388.555 2.790 20 0 GFADMN CCCS(=O)(=O)CCN1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844395069 661418529 /nfs/dbraw/zinc/41/85/29/661418529.db2.gz BFVCDQUYJRMTDE-HOTGVXAUSA-N 0 1 376.563 2.827 20 0 GFADMN C[C@@H]1[C@H](C)N(C(=O)c2cn(-c3ccccc3Br)nn2)[C@@H](C)CN1C ZINC000844645958 661431176 /nfs/dbraw/zinc/43/11/76/661431176.db2.gz RYIDFXVRBYKLSK-XQQFMLRXSA-N 0 1 392.301 2.583 20 0 GFADMN CO[C@@H]1CCN(CN2CC(c3ccc(Br)cc3)=CC2=O)C[C@H]1C ZINC000844709086 661436540 /nfs/dbraw/zinc/43/65/40/661436540.db2.gz PUAWWJKUOUEXGM-CXAGYDPISA-N 0 1 379.298 2.989 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)c1Cl ZINC000844898883 661447791 /nfs/dbraw/zinc/44/77/91/661447791.db2.gz PAHYTYLHSWZDJL-UHFFFAOYSA-N 0 1 376.906 2.603 20 0 GFADMN CC[N@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000845894188 661504636 /nfs/dbraw/zinc/50/46/36/661504636.db2.gz ZKKUYCOKPNCVCM-KRWDZBQOSA-N 0 1 380.897 2.979 20 0 GFADMN CC[N@@H+](C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000845894188 661504641 /nfs/dbraw/zinc/50/46/41/661504641.db2.gz ZKKUYCOKPNCVCM-KRWDZBQOSA-N 0 1 380.897 2.979 20 0 GFADMN O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC(c2nc[nH]n2)CC1 ZINC000845894011 661504670 /nfs/dbraw/zinc/50/46/70/661504670.db2.gz WCGCCVVAIXKTLR-UHFFFAOYSA-N 0 1 381.310 2.882 20 0 GFADMN O=C([O-])CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCOCC1 ZINC000846274595 661542130 /nfs/dbraw/zinc/54/21/30/661542130.db2.gz UVSBNYFYDYILGD-HNNXBMFYSA-N 0 1 390.249 2.577 20 0 GFADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000846274770 661542312 /nfs/dbraw/zinc/54/23/12/661542312.db2.gz AKGPINPOMIVGGT-DLBZAZTESA-N 0 1 376.250 2.994 20 0 GFADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846587730 661557985 /nfs/dbraw/zinc/55/79/85/661557985.db2.gz LHOGLGQVLITAMS-MNOVXSKESA-N 0 1 383.279 2.771 20 0 GFADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000846592529 661559118 /nfs/dbraw/zinc/55/91/18/661559118.db2.gz KNBXVDRZIVZIFU-OCCSQVGLSA-N 0 1 389.327 2.573 20 0 GFADMN CCN1C[C@H](CN[C@@](C)(CC(=O)OC)c2ccc(Br)cc2)OC1=O ZINC000846898283 661569470 /nfs/dbraw/zinc/56/94/70/661569470.db2.gz CZNUCZBAVKEXKH-YOEHRIQHSA-N 0 1 399.285 2.658 20 0 GFADMN Cn1c2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2nc1C1CC1 ZINC000848051215 661622491 /nfs/dbraw/zinc/62/24/91/661622491.db2.gz ZUINXDJPKIQJCI-UHFFFAOYSA-N 0 1 391.547 2.999 20 0 GFADMN COc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cnc1Cl ZINC000848508528 661658216 /nfs/dbraw/zinc/65/82/16/661658216.db2.gz CARVJJOKTFNOAR-KCJUWKMLSA-N 0 1 388.795 2.522 20 0 GFADMN CCOc1c(Br)cc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1OC ZINC000848577550 661665812 /nfs/dbraw/zinc/66/58/12/661665812.db2.gz GLEAXAKKWAFZEC-ZDUSSCGKSA-N 0 1 399.285 2.929 20 0 GFADMN Cn1c(Cl)cnc1-c1csc(N2C(=O)NC(CC(F)(F)F)C2=O)n1 ZINC000849234504 661700269 /nfs/dbraw/zinc/70/02/69/661700269.db2.gz HEGKUCXMSHMEEB-RXMQYKEDSA-N 0 1 379.751 2.574 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)C[C@@H](C)CC(F)(F)F)c1cc(F)ccc1F ZINC000849374172 661710966 /nfs/dbraw/zinc/71/09/66/661710966.db2.gz ZJXUPWXUNUVDMP-QPUJVOFHSA-N 0 1 389.342 2.687 20 0 GFADMN CCc1nc([C@@H](C)OC(=O)c2cccnc2-n2cc(Br)cn2)n[nH]1 ZINC000849792251 661746116 /nfs/dbraw/zinc/74/61/16/661746116.db2.gz VADVYNNVQDOTPY-SECBINFHSA-N 0 1 391.229 2.628 20 0 GFADMN O=[S@@](CCNCc1c(Cl)cccc1N1CCOCC1)CC(F)(F)F ZINC000850348221 661770868 /nfs/dbraw/zinc/77/08/68/661770868.db2.gz HUAWUCPGXVTTLE-DEOSSOPVSA-N 0 1 384.851 2.577 20 0 GFADMN Cn1c2ccc(C(F)(F)F)cc2nc1CNCC[S@@](=O)CC(F)(F)F ZINC000850348844 661771099 /nfs/dbraw/zinc/77/10/99/661771099.db2.gz VXGAHXQHDZVFFM-RUZDIDTESA-N 0 1 387.349 2.993 20 0 GFADMN Cc1nn(-c2ccccn2)c(Cl)c1CNCC[S@@](=O)CC(F)(F)F ZINC000850351332 661771357 /nfs/dbraw/zinc/77/13/57/661771357.db2.gz ZPOSNEKXTPJDPH-XMMPIXPASA-N 0 1 380.823 2.630 20 0 GFADMN CCOc1c(Cl)cc(CNCCS(=O)(=O)CC(F)(F)F)cc1OC ZINC000850364236 661772452 /nfs/dbraw/zinc/77/24/52/661772452.db2.gz VTADZWCFASFMPP-UHFFFAOYSA-N 0 1 389.823 2.814 20 0 GFADMN CON(C)CCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000850479782 661778142 /nfs/dbraw/zinc/77/81/42/661778142.db2.gz ZDSDYBOJVWODPN-GOSISDBHSA-N 0 1 382.913 2.916 20 0 GFADMN CCc1nc([C@@H](C)N2CCC(O)(c3scnc3Br)CC2)n[nH]1 ZINC000852006220 661848604 /nfs/dbraw/zinc/84/86/04/661848604.db2.gz IFMFBEZIYBASIL-SECBINFHSA-N 0 1 386.319 2.631 20 0 GFADMN O=C(NC[C@H]1CCCN(Cc2ncsc2Br)C1)C(F)(F)F ZINC000852059960 661851151 /nfs/dbraw/zinc/85/11/51/661851151.db2.gz AFBRRYGDYXQSHK-MRVPVSSYSA-N 0 1 386.237 2.796 20 0 GFADMN CN(C[C@H](O)c1cccc(Br)c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852171717 661855659 /nfs/dbraw/zinc/85/56/59/661855659.db2.gz LPNGHBBDLXAQCC-ZFVVBOAOSA-N 0 1 381.314 2.862 20 0 GFADMN Cc1cc(N2CC[C@H](NC[C@@H](O)c3ccccn3)C2=O)ccc1Br ZINC000853105768 661882556 /nfs/dbraw/zinc/88/25/56/661882556.db2.gz WQIYXBKSUGISMG-DLBZAZTESA-N 0 1 390.281 2.581 20 0 GFADMN CN1CCN(C[C@@H](Nc2ncnc(F)c2Br)c2ccccc2)CC1 ZINC000853262289 661886535 /nfs/dbraw/zinc/88/65/35/661886535.db2.gz OWQMBNLVZFOFFA-CQSZACIVSA-N 0 1 394.292 2.779 20 0 GFADMN O=C1[C@H](c2cccc(Br)c2)CCN1CN1CC[C@@H]2COC[C@H]2C1 ZINC000853588520 661893741 /nfs/dbraw/zinc/89/37/41/661893741.db2.gz DYEKHPSVWBQGDB-INMHGKMJSA-N 0 1 379.298 2.691 20 0 GFADMN Clc1nc2c(Br)c[nH]c2c(NCc2n[nH]c([C@H]3CCCO3)n2)n1 ZINC000853714760 661898335 /nfs/dbraw/zinc/89/83/35/661898335.db2.gz CTKVDARGUANYML-SSDOTTSWSA-N 0 1 398.652 2.956 20 0 GFADMN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000854441689 661933802 /nfs/dbraw/zinc/93/38/02/661933802.db2.gz SQAYUSHGBXGTKC-LLVKDONJSA-N 0 1 380.242 2.864 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000854919492 661961237 /nfs/dbraw/zinc/96/12/37/661961237.db2.gz HQWSIYNWFOWGBX-UHFFFAOYSA-N 0 1 385.649 2.904 20 0 GFADMN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1cccnc1Cl ZINC000855054048 661967836 /nfs/dbraw/zinc/96/78/36/661967836.db2.gz BBGIMXYDDHJRQW-ZYHUDNBSSA-N 0 1 377.794 2.726 20 0 GFADMN CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1cc(Br)[nH]n1 ZINC000855196006 661975674 /nfs/dbraw/zinc/97/56/74/661975674.db2.gz JSEURAQHMGFTRE-UHFFFAOYSA-N 0 1 375.267 2.548 20 0 GFADMN O=C(/C=C/[C@@H]1CCCO1)Nc1nc2ccc(I)cc2[nH]1 ZINC000856204004 662024591 /nfs/dbraw/zinc/02/45/91/662024591.db2.gz UVJWMLLJERFZFS-RWCYGVJQSA-N 0 1 383.189 2.841 20 0 GFADMN O=C(C[C@@H]1CCCOC1)Nc1nc2ccc(I)cc2[nH]1 ZINC000856203465 662024598 /nfs/dbraw/zinc/02/45/98/662024598.db2.gz OUWMRJYVGVDKOQ-VIFPVBQESA-N 0 1 385.205 2.923 20 0 GFADMN C[C@@H](CNc1cnc(Br)cn1)N1CCN(c2ccccc2)CC1 ZINC000856723460 662038728 /nfs/dbraw/zinc/03/87/28/662038728.db2.gz SNBJJFMPHVFTRQ-AWEZNQCLSA-N 0 1 376.302 2.862 20 0 GFADMN O=C(Nc1ccnc(F)c1F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000857698465 662087809 /nfs/dbraw/zinc/08/78/09/662087809.db2.gz KCEKHELXPNJZFU-UHFFFAOYSA-N 0 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CCC(=O)N[C@@H](CCSC)C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC000899817767 663701145 /nfs/dbraw/zinc/70/11/45/663701145.db2.gz KISHQUBMIZCGSK-NSHDSACASA-N 0 1 399.314 2.912 20 0 GFADMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC000901542469 663737477 /nfs/dbraw/zinc/73/74/77/663737477.db2.gz FEKUIFWTEJAPCK-CQSZACIVSA-N 0 1 380.185 2.726 20 0 GFADMN O=C([O-])[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000901747400 663744645 /nfs/dbraw/zinc/74/46/45/663744645.db2.gz HJNSBNYEYRIBNW-WMLDXEAASA-N 0 1 397.313 2.808 20 0 GFADMN CO[C@@H](C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1)C1CCOCC1 ZINC000901857044 663748236 /nfs/dbraw/zinc/74/82/36/663748236.db2.gz HMIIAYQRHRYTGV-INIZCTEOSA-N 0 1 386.286 2.777 20 0 GFADMN O=C([O-])[C@]12C[N@@H+](Cc3cnn4cc(Br)cnc34)C[C@H]1CCCC2 ZINC000901914339 663750893 /nfs/dbraw/zinc/75/08/93/663750893.db2.gz NMUQYGQLOPAZLC-MLGOLLRUSA-N 0 1 379.258 2.569 20 0 GFADMN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903164282 663776628 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COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(Br)c(C)c1)C[C@H]2C(=O)[O-] ZINC000903694758 663804052 /nfs/dbraw/zinc/80/40/52/663804052.db2.gz FTFGPVIYQCTTPO-FVRSWCFKSA-N 0 1 396.281 2.843 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(C)c(Br)c1)C[C@H]2C(=O)[O-] ZINC000903694807 663804084 /nfs/dbraw/zinc/80/40/84/663804084.db2.gz GWZMODMADAMDPW-FVRSWCFKSA-N 0 1 396.281 2.843 20 0 GFADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cscc1C(F)(F)F)C[C@@H]2C(=O)[O-] ZINC000903694899 663804099 /nfs/dbraw/zinc/80/40/99/663804099.db2.gz JFISIJAILZOFFB-QMJNDHNRSA-N 0 1 377.384 2.853 20 0 GFADMN COc1cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c(Br)cc1C(=O)[O-] ZINC000903914873 663811488 /nfs/dbraw/zinc/81/14/88/663811488.db2.gz HWMKVDKUJPYJCE-SNVBAGLBSA-N 0 1 396.241 2.837 20 0 GFADMN COc1cc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c(Br)cc1C(=O)[O-] ZINC000903914873 663811489 /nfs/dbraw/zinc/81/14/89/663811489.db2.gz HWMKVDKUJPYJCE-SNVBAGLBSA-N 0 1 396.241 2.837 20 0 GFADMN O=S1(=O)CCNC[C@@H]1CCNCc1cc(Cl)ccc1OC1CCCC1 ZINC000903968847 663814075 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COCC[C@H]1CNCCN1C(=O)Nc1cccc(Br)c1Cl ZINC000904472103 663835486 /nfs/dbraw/zinc/83/54/86/663835486.db2.gz LGLRESQBKRSRPJ-JTQLQIEISA-N 0 1 376.682 2.945 20 0 GFADMN Cc1sc(CNC[C@H](O)C2(O)CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000905070431 663851632 /nfs/dbraw/zinc/85/16/32/663851632.db2.gz ZXJHYKOPJZGDHA-HNNXBMFYSA-N 0 1 382.913 2.764 20 0 GFADMN CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccsc3)c2C)C1=O ZINC000905102746 663853368 /nfs/dbraw/zinc/85/33/68/663853368.db2.gz PNCHEXHJHYUPQJ-UHFFFAOYSA-N 0 1 379.463 2.646 20 0 GFADMN C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000905144455 663855192 /nfs/dbraw/zinc/85/51/92/663855192.db2.gz JFKWGVYASWZELO-UHNFBRDESA-N 0 1 383.279 2.544 20 0 GFADMN O=S(=O)(CCNC[C@@H]1CCC2(CCC2)O1)c1cccc(Br)c1 ZINC000905442039 663871691 /nfs/dbraw/zinc/87/16/91/663871691.db2.gz PTLOIHDNQQNGNH-AWEZNQCLSA-N 0 1 388.327 2.914 20 0 GFADMN O=S(=O)(CCNC[C@@H]1CC2(CCC2)CO1)c1cccc(Br)c1 ZINC000905474739 663873141 /nfs/dbraw/zinc/87/31/41/663873141.db2.gz ROXXBERELMKABT-AWEZNQCLSA-N 0 1 388.327 2.772 20 0 GFADMN COc1cc(Br)cc(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)c1 ZINC000905729083 663889168 /nfs/dbraw/zinc/88/91/68/663889168.db2.gz USDFCMYSOLBJJB-UHFFFAOYSA-N 0 1 385.302 2.877 20 0 GFADMN COc1cc(Br)cc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)c1 ZINC000905729083 663889169 /nfs/dbraw/zinc/88/91/69/663889169.db2.gz USDFCMYSOLBJJB-UHFFFAOYSA-N 0 1 385.302 2.877 20 0 GFADMN CN(Cc1cn(CC(=O)Nc2ccccc2Br)nn1)C(C)(C)C ZINC000905783756 663892333 /nfs/dbraw/zinc/89/23/33/663892333.db2.gz QDPLOOSMFMUIBF-UHFFFAOYSA-N 0 1 380.290 2.910 20 0 GFADMN CC(C)NCc1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000905797885 663892907 /nfs/dbraw/zinc/89/29/07/663892907.db2.gz QAQFWXBFNKHCND-UHFFFAOYSA-N 0 1 383.275 2.698 20 0 GFADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906515295 663954474 /nfs/dbraw/zinc/95/44/74/663954474.db2.gz QTDWTNCJLNPTLL-HIFRSBDPSA-N 0 1 391.269 2.666 20 0 GFADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906515295 663954485 /nfs/dbraw/zinc/95/44/85/663954485.db2.gz QTDWTNCJLNPTLL-HIFRSBDPSA-N 0 1 391.269 2.666 20 0 GFADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 ZINC000906863588 663977520 /nfs/dbraw/zinc/97/75/20/663977520.db2.gz PPQHYXHIPOLBGE-UHFFFAOYSA-N 0 1 384.933 2.957 20 0 GFADMN Nc1cn[nH]c1[C@H]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000907402845 664031689 /nfs/dbraw/zinc/03/16/89/664031689.db2.gz NQEVMIGOXOXJGH-VIFPVBQESA-N 0 1 379.251 2.505 20 0 GFADMN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000907411435 664032385 /nfs/dbraw/zinc/03/23/85/664032385.db2.gz KVIHJOXORURTRE-DGCLKSJQSA-N 0 1 377.286 2.949 20 0 GFADMN Nc1cn[nH]c1[C@H]1CCN(C(=O)CCc2cc(Br)ccc2F)C1 ZINC000907413290 664032581 /nfs/dbraw/zinc/03/25/81/664032581.db2.gz UFEKWPTUSWHGHA-NSHDSACASA-N 0 1 381.249 2.842 20 0 GFADMN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1cnc[nH]1 ZINC000907462846 664036750 /nfs/dbraw/zinc/03/67/50/664036750.db2.gz JNEJGTJENHQACN-INIZCTEOSA-N 0 1 380.286 2.869 20 0 GFADMN CCc1sc(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1Br ZINC000907481333 664039755 /nfs/dbraw/zinc/03/97/55/664039755.db2.gz VWLFBUMCBRCJRO-MRVPVSSYSA-N 0 1 388.316 2.516 20 0 GFADMN CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2ccccc2Br)CC1 ZINC000907626178 664048912 /nfs/dbraw/zinc/04/89/12/664048912.db2.gz MCBJQLHBMNYLRJ-KBXCAEBGSA-N 0 1 381.314 2.610 20 0 GFADMN CN1CCC2(CCN2S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000907856397 664066040 /nfs/dbraw/zinc/06/60/40/664066040.db2.gz VSSOCUDCEZXFFC-UHFFFAOYSA-N 0 1 393.734 2.961 20 0 GFADMN O=S(=O)(N[C@@H]1CCOC12CCCC2)c1c(O)cccc1OC(F)(F)F ZINC000908191521 664090736 /nfs/dbraw/zinc/09/07/36/664090736.db2.gz MOAHHHOFTCZDCA-GFCCVEGCSA-N 0 1 381.372 2.671 20 0 GFADMN O=C(Cc1c[nH]cn1)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000908540017 664113122 /nfs/dbraw/zinc/11/31/22/664113122.db2.gz DZKWHYVQUNCAQB-CYBMUJFWSA-N 0 1 395.244 2.648 20 0 GFADMN CC(C)(NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC000909311089 664152091 /nfs/dbraw/zinc/15/20/91/664152091.db2.gz 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CCN1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000163254562 551618480 /nfs/dbraw/zinc/61/84/80/551618480.db2.gz ZNMZJKOPGRENAO-UHFFFAOYSA-N 0 1 382.302 2.559 20 0 GFADMN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164537537 551626511 /nfs/dbraw/zinc/62/65/11/551626511.db2.gz WTARYVZUYFLLLB-JSGCOSHPSA-N 0 1 383.286 2.593 20 0 GFADMN C[C@H]1CN(C2CCN(C(=O)Nc3ccc(Br)nc3)CC2)CCO1 ZINC000166443910 551631875 /nfs/dbraw/zinc/63/18/75/551631875.db2.gz ZKYODAJKIFKNOQ-LBPRGKRZSA-N 0 1 383.290 2.561 20 0 GFADMN CN(CCNCc1ccc(OC(F)F)c(F)c1)S(=O)(=O)c1cccs1 ZINC000168826085 551634759 /nfs/dbraw/zinc/63/47/59/551634759.db2.gz IMAHLHHDISUCST-UHFFFAOYSA-N 0 1 394.440 2.899 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000170737664 551638551 /nfs/dbraw/zinc/63/85/51/551638551.db2.gz AWDTXBGKNTXHNM-QWHCGFSZSA-N 0 1 382.302 2.754 20 0 GFADMN NC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000171099499 551646654 /nfs/dbraw/zinc/64/66/54/551646654.db2.gz 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/nfs/dbraw/zinc/68/37/82/551683782.db2.gz XQKWXGKYDHRZQQ-UHFFFAOYSA-N 0 1 389.257 2.642 20 0 GFADMN C[C@@H]1CSCCN1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000172660197 551684007 /nfs/dbraw/zinc/68/40/07/551684007.db2.gz WAHQWFAWBOQISP-SNVBAGLBSA-N 0 1 396.314 2.881 20 0 GFADMN C[C@@H]1CSCCN1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000172660197 551684010 /nfs/dbraw/zinc/68/40/10/551684010.db2.gz WAHQWFAWBOQISP-SNVBAGLBSA-N 0 1 396.314 2.881 20 0 GFADMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)c3ccc(Br)s3)CCO2)n[nH]1 ZINC000173094600 551696073 /nfs/dbraw/zinc/69/60/73/551696073.db2.gz UWLGZVVRTGRJIX-VHSXEESVSA-N 0 1 399.314 2.895 20 0 GFADMN CN(Cc1nnc[nH]1)C(=O)CCCCc1ccc(I)cc1 ZINC000174161017 552100720 /nfs/dbraw/zinc/10/07/20/552100720.db2.gz UPPYMTULLJQOSO-UHFFFAOYSA-N 0 1 398.248 2.781 20 0 GFADMN O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000174197959 552101700 /nfs/dbraw/zinc/10/17/00/552101700.db2.gz SHZZDJYWTDLTQY-ZTFGCOKTSA-N 0 1 393.325 2.733 20 0 GFADMN 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/nfs/dbraw/zinc/18/63/47/553186347.db2.gz NKGYFDZCBOFMRE-YRGRVCCFSA-N 0 1 383.286 2.669 20 0 GFADMN O=C(CCCCCc1ccc(I)cc1)NCc1nnc[nH]1 ZINC000263710191 553191984 /nfs/dbraw/zinc/19/19/84/553191984.db2.gz HWYFUXWOIRVLQK-UHFFFAOYSA-N 0 1 398.248 2.829 20 0 GFADMN Cc1ccc(I)c(C(=O)NCCN2CC=C(C)CC2)c1 ZINC000506662102 564208249 /nfs/dbraw/zinc/20/82/49/564208249.db2.gz KZXGFDXNWRCJOP-UHFFFAOYSA-N 0 1 384.261 2.981 20 0 GFADMN C[C@@H](CO)N1CCCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000451089569 564272916 /nfs/dbraw/zinc/27/29/16/564272916.db2.gz RKFNFSUEGWZTMH-JTQLQIEISA-N 0 1 393.684 2.770 20 0 GFADMN CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451189798 564285389 /nfs/dbraw/zinc/28/53/89/564285389.db2.gz PRDSQEPCWAZPSW-ZDUSSCGKSA-N 0 1 391.306 2.587 20 0 GFADMN CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)o1)c1nc(C2CC2)no1 ZINC000544720292 564396392 /nfs/dbraw/zinc/39/63/92/564396392.db2.gz PKIYDOKSWFJAFD-LLVKDONJSA-N 0 1 390.259 2.978 20 0 GFADMN CNC(=O)[C@H]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000421394468 563309723 /nfs/dbraw/zinc/30/97/23/563309723.db2.gz SZKVXWLXBAENKL-JTQLQIEISA-N 0 1 381.192 2.916 20 0 GFADMN CSc1ccc([C@H](CNC(=O)C(=O)Nc2nc(C)cs2)N(C)C)cc1 ZINC000294701565 563212919 /nfs/dbraw/zinc/21/29/19/563212919.db2.gz WDTDZJVOVIDUBM-AWEZNQCLSA-N 0 1 378.523 2.531 20 0 GFADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000277555154 563213649 /nfs/dbraw/zinc/21/36/49/563213649.db2.gz RGZOOMFKIGSZFB-BZNIZROVSA-N 0 1 377.286 2.947 20 0 GFADMN Cc1sc(Br)nc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000277810052 563227340 /nfs/dbraw/zinc/22/73/40/563227340.db2.gz WFMGARMDRYIGPX-UHFFFAOYSA-N 0 1 397.298 2.627 20 0 GFADMN CN(C)[C@H](CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)c1cccs1 ZINC000277878821 563229860 /nfs/dbraw/zinc/22/98/60/563229860.db2.gz BIKDASFOCMBLNL-DGCLKSJQSA-N 0 1 375.420 2.687 20 0 GFADMN COC[C@@]1(C)CCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000295125864 563230486 /nfs/dbraw/zinc/23/04/86/563230486.db2.gz AFZFDNDAFDKIDS-HNNXBMFYSA-N 0 1 375.332 2.827 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000419010073 563232731 /nfs/dbraw/zinc/23/27/31/563232731.db2.gz YFKUJNQPVDGPEU-VHSXEESVSA-N 0 1 382.224 2.754 20 0 GFADMN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2cncc(Cl)c2C)c1 ZINC000295174535 563233116 /nfs/dbraw/zinc/23/31/16/563233116.db2.gz HHGZMIIYJMMKLE-UHFFFAOYSA-N 0 1 384.841 2.777 20 0 GFADMN COC[C@]1(C(=O)OC)CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000295232967 563236876 /nfs/dbraw/zinc/23/68/76/563236876.db2.gz XDQUUTRZMALWSD-INIZCTEOSA-N 0 1 383.242 2.602 20 0 GFADMN C[C@@H]1CN(CCO)[C@@H](C)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000419339661 563237944 /nfs/dbraw/zinc/23/79/44/563237944.db2.gz MIVHNXYMJUMIPG-WDEREUQCSA-N 0 1 394.730 2.972 20 0 GFADMN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370592910 563249196 /nfs/dbraw/zinc/24/91/96/563249196.db2.gz IYZKMMNKKWBZGS-SNVBAGLBSA-N 0 1 379.873 2.525 20 0 GFADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(F)c(Br)c1 ZINC000278368172 563252516 /nfs/dbraw/zinc/25/25/16/563252516.db2.gz JRVSGAZWOWCQMO-GFCCVEGCSA-N 0 1 385.277 2.914 20 0 GFADMN O=C1N[C@H](CC(F)(F)F)C(=O)N1Cc1nc2cccc(Br)c2[nH]1 ZINC000420031956 563256546 /nfs/dbraw/zinc/25/65/46/563256546.db2.gz MMKOLCCVKVULGV-MRVPVSSYSA-N 0 1 391.147 2.698 20 0 GFADMN COc1ccc(CN[C@@H]2CCCN(c3ccnn3C)C2)c(Br)c1O ZINC000278463724 563257470 /nfs/dbraw/zinc/25/74/70/563257470.db2.gz FNKCEUUBSQHSMS-CYBMUJFWSA-N 0 1 395.301 2.655 20 0 GFADMN Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(Cl)c(Cl)n3C)CCCN2C)cn1 ZINC000370919854 563259881 /nfs/dbraw/zinc/25/98/81/563259881.db2.gz YIEAYKOLNDTSJX-IAQYHMDHSA-N 0 1 384.311 2.878 20 0 GFADMN COc1ccccc1N1CCC(NCc2c(Br)cnn2C)CC1 ZINC000278571795 563261860 /nfs/dbraw/zinc/26/18/60/563261860.db2.gz XLFUODFSRQJAIW-UHFFFAOYSA-N 0 1 379.302 2.950 20 0 GFADMN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](C)c2cccc(Br)c2)C1 ZINC000278763283 563269655 /nfs/dbraw/zinc/26/96/55/563269655.db2.gz UAWHGLOJDZFWFE-IIDMSEBBSA-N 0 1 386.330 2.898 20 0 GFADMN Cc1c(Br)cccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000371290209 563271916 /nfs/dbraw/zinc/27/19/16/563271916.db2.gz AKAZQEFFKRJOKX-QGZVFWFLSA-N 0 1 380.286 2.568 20 0 GFADMN C[C@]1(C[C@@H]2CCCN2Cc2cccc(Br)c2F)NC(=O)NC1=O ZINC000296054711 563272747 /nfs/dbraw/zinc/27/27/47/563272747.db2.gz OXJLSCKQDVSNKW-MEDUHNTESA-N 0 1 384.249 2.541 20 0 GFADMN CN(Cc1ncnn1CC(F)F)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000278878000 563274897 /nfs/dbraw/zinc/27/48/97/563274897.db2.gz GRRPCWSTZGBLED-UHFFFAOYSA-N 0 1 386.815 2.920 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@H]2CCCCC2(F)F)c(Br)n1C ZINC000296326202 563283357 /nfs/dbraw/zinc/28/33/57/563283357.db2.gz UKNGJTPEGDVYPL-SECBINFHSA-N 0 1 386.262 2.595 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371649085 563283733 /nfs/dbraw/zinc/28/37/33/563283733.db2.gz DZKWJQKCWFQJLN-LLVKDONJSA-N 0 1 377.520 2.742 20 0 GFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000296369296 563285372 /nfs/dbraw/zinc/28/53/72/563285372.db2.gz SNNMOWGYNVCVPQ-YVEFUNNKSA-N 0 1 387.307 2.739 20 0 GFADMN CS(=O)(=O)c1cccc(Cl)c1CNC[C@H]1CC(=O)Nc2ccccc21 ZINC000371887634 563290212 /nfs/dbraw/zinc/29/02/12/563290212.db2.gz IFDXCZIYLXMPFO-GFCCVEGCSA-N 0 1 378.881 2.959 20 0 GFADMN CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000296526885 563290665 /nfs/dbraw/zinc/29/06/65/563290665.db2.gz QGDGAUYBBVQXMB-WFASDCNBSA-N 0 1 376.469 2.836 20 0 GFADMN C[C@H]1OCC[C@@]12CN(C(=O)c1[nH]nc3ccc(Br)cc31)C[C@@H](C)O2 ZINC000279303235 563291796 /nfs/dbraw/zinc/29/17/96/563291796.db2.gz LRJOQVBMTIYHRL-CZIZLABSSA-N 0 1 394.269 2.734 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000372074327 563294867 /nfs/dbraw/zinc/29/48/67/563294867.db2.gz UTFGYCZRYSZFDO-UHFFFAOYSA-N 0 1 383.524 2.586 20 0 GFADMN Cc1cc(NC(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1Br ZINC000372337681 563302292 /nfs/dbraw/zinc/30/22/92/563302292.db2.gz DUUYYTFDVHFNPN-XJKSGUPXSA-N 0 1 394.313 2.687 20 0 GFADMN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1c[nH]nc1-c1nccs1 ZINC000421244963 563303298 /nfs/dbraw/zinc/30/32/98/563303298.db2.gz GMCRXDLKCPECJW-CYBMUJFWSA-N 0 1 378.479 2.533 20 0 GFADMN CCOc1cc(CN[C@@H](CO)COC)cc(Br)c1OC(F)F ZINC000279794751 563311190 /nfs/dbraw/zinc/31/11/90/563311190.db2.gz MTGVWVQPLZLSCO-JTQLQIEISA-N 0 1 384.217 2.546 20 0 GFADMN CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000373126516 563328951 /nfs/dbraw/zinc/32/89/51/563328951.db2.gz QNQKWXABMLLZGA-RYUDHWBXSA-N 0 1 395.257 2.725 20 0 GFADMN O=C(NCCCCN1CCOCC1)N1CCc2c1cccc2Br ZINC000422149364 563331858 /nfs/dbraw/zinc/33/18/58/563331858.db2.gz OFHPLIBRBBVVRC-UHFFFAOYSA-N 0 1 382.302 2.634 20 0 GFADMN C[C@@H](CNC(=O)NCc1n[nH]c(C2CC2)n1)Oc1ccc(Br)cc1 ZINC000297790863 563335839 /nfs/dbraw/zinc/33/58/39/563335839.db2.gz DRCSWDJZOBJMPW-JTQLQIEISA-N 0 1 394.273 2.711 20 0 GFADMN CC[C@H](C)[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C)C(F)(F)F ZINC000297817797 563336498 /nfs/dbraw/zinc/33/64/98/563336498.db2.gz IXHBTKFIESIHHY-DMDPSCGWSA-N 0 1 379.448 2.560 20 0 GFADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC([C@@H]2CCOC2)C1 ZINC000373414117 563337658 /nfs/dbraw/zinc/33/76/58/563337658.db2.gz VFKKCZHKYYBTIA-GFCCVEGCSA-N 0 1 376.254 2.948 20 0 GFADMN CCN(CCC1CC1)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422453613 563339569 /nfs/dbraw/zinc/33/95/69/563339569.db2.gz HZEHDIAULUJVLG-UHFFFAOYSA-N 0 1 393.285 2.590 20 0 GFADMN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422452098 563339816 /nfs/dbraw/zinc/33/98/16/563339816.db2.gz DVSGNXITLKBZFO-MNOVXSKESA-N 0 1 393.285 2.589 20 0 GFADMN O=C(Cc1ccc(F)cc1Br)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000373596213 563343264 /nfs/dbraw/zinc/34/32/64/563343264.db2.gz KRQPRCROSIOYIK-YOEHRIQHSA-N 0 1 399.304 2.748 20 0 GFADMN C[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)[C@@H]1CO ZINC000373655262 563345724 /nfs/dbraw/zinc/34/57/24/563345724.db2.gz WLOAAISFBYENPG-ZXYWRSMDSA-N 0 1 376.547 2.986 20 0 GFADMN C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000280603494 563345755 /nfs/dbraw/zinc/34/57/55/563345755.db2.gz VJDCTCFSAFCZCF-DYVFJYSZSA-N 0 1 383.286 2.658 20 0 GFADMN C[C@H](NC(=O)NCc1n[nH]c(C2CC2)n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000298170579 563346907 /nfs/dbraw/zinc/34/69/07/563346907.db2.gz QQGNFLXDUNQWIQ-RTHLEPHNSA-N 0 1 384.267 2.910 20 0 GFADMN CC1=C(Br)CN(C(=O)NC[C@@H]2CCC[C@H]2N2CCOCC2)CC1 ZINC000373771334 563350240 /nfs/dbraw/zinc/35/02/40/563350240.db2.gz MFMAQYLJBONQAQ-GOEBONIOSA-N 0 1 386.334 2.572 20 0 GFADMN COc1cc(Br)c(CNCC2([S@](C)=O)CCC2)c(OC)c1 ZINC000280711997 563351196 /nfs/dbraw/zinc/35/11/96/563351196.db2.gz UEFLCRMILSYLTH-NRFANRHFSA-N 0 1 376.316 2.857 20 0 GFADMN COC(=O)C[C@H](N)C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000423190415 563358665 /nfs/dbraw/zinc/35/86/65/563358665.db2.gz RTOGFELPDJGBKG-WFASDCNBSA-N 0 1 375.296 2.815 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000374047074 563359311 /nfs/dbraw/zinc/35/93/11/563359311.db2.gz AGKHQJLOBCCVNT-GFCCVEGCSA-N 0 1 375.332 2.563 20 0 GFADMN CN(Cc1cc(Br)cs1)C(=O)CN1CCCC[C@@H](CO)C1 ZINC000374047074 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/nfs/dbraw/zinc/60/02/76/563600276.db2.gz SKIWPKWCKORYOI-PIGZYNQJSA-N 0 1 380.286 2.820 20 0 GFADMN C[C@@H](c1ccccc1Br)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332462222 563600617 /nfs/dbraw/zinc/60/06/17/563600617.db2.gz QLZVBECDICYIJS-APPDUMDISA-N 0 1 380.286 2.820 20 0 GFADMN CSc1ccc(Cl)cc1NC(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000332514430 563602667 /nfs/dbraw/zinc/60/26/67/563602667.db2.gz NYMJKTYQTPKEGL-UHFFFAOYSA-N 0 1 380.905 2.838 20 0 GFADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1c[nH]c2ncc(Br)cc12 ZINC000433097571 563602901 /nfs/dbraw/zinc/60/29/01/563602901.db2.gz NWCWPAXYOHZHOZ-UHFFFAOYSA-N 0 1 384.197 2.758 20 0 GFADMN CO[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)[C@@H](C)C1 ZINC000332544600 563604169 /nfs/dbraw/zinc/60/41/69/563604169.db2.gz ZUEBUMFQKDGTTJ-CMPLNLGQSA-N 0 1 379.254 2.930 20 0 GFADMN O=C([C@H]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C1)N1CCCC1 ZINC000287510982 563605294 /nfs/dbraw/zinc/60/52/94/563605294.db2.gz ULXVXRBUEARVEP-BBRMVZONSA-N 0 1 385.277 2.566 20 0 GFADMN CC(C)S(=O)(=O)CC(=O)N(CCCN1CCCC1)c1ccc(Cl)cc1 ZINC000411101322 563605338 /nfs/dbraw/zinc/60/53/38/563605338.db2.gz KUZMROQEYCVWKH-UHFFFAOYSA-N 0 1 386.945 2.982 20 0 GFADMN O=C([C@@H]1CCN(Cc2cc3c(cc2Br)OCCO3)C1)N1CCCC1 ZINC000287576508 563608748 /nfs/dbraw/zinc/60/87/48/563608748.db2.gz XPJQNEOQRYHVFM-CYBMUJFWSA-N 0 1 395.297 2.665 20 0 GFADMN CN(CC1CCN(C)CC1)c1c(Br)cccc1S(C)(=O)=O ZINC000287652804 563611967 /nfs/dbraw/zinc/61/19/67/563611967.db2.gz CDTFATQUCMEVBF-UHFFFAOYSA-N 0 1 375.332 2.631 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000287741534 563615698 /nfs/dbraw/zinc/61/56/98/563615698.db2.gz CHXKYOWFYRWGOU-ZCFIWIBFSA-N 0 1 375.738 2.601 20 0 GFADMN Cc1csc([C@H]2COCCN2C(=O)NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000333005832 563617647 /nfs/dbraw/zinc/61/76/47/563617647.db2.gz MUKUVQUMKAVCGH-LSDHHAIUSA-N 0 1 380.539 2.899 20 0 GFADMN Cc1nc(S(=O)(=O)NC[C@H]2CCCCN2C2CC2)sc1Br ZINC000333066253 563619530 /nfs/dbraw/zinc/61/95/30/563619530.db2.gz UAPJHKFFHXAALR-LLVKDONJSA-N 0 1 394.360 2.509 20 0 GFADMN OC[C@H](NCc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411504085 563621795 /nfs/dbraw/zinc/62/17/95/563621795.db2.gz LSWTWAUOWNPHBN-VIFPVBQESA-N 0 1 386.183 2.883 20 0 GFADMN CN(C)c1ncc(CN(C)CCC(=O)Nc2ccccc2Br)cn1 ZINC000411502673 563621823 /nfs/dbraw/zinc/62/18/23/563621823.db2.gz WVJUWUQXFCJREW-UHFFFAOYSA-N 0 1 392.301 2.766 20 0 GFADMN CNC(=O)NC(=O)CCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411531398 563622233 /nfs/dbraw/zinc/62/22/33/563622233.db2.gz WZLPHVBMVFSYAI-LLVKDONJSA-N 0 1 396.207 2.878 20 0 GFADMN NC(=O)NC(=O)CCN[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000411524844 563622258 /nfs/dbraw/zinc/62/22/58/563622258.db2.gz LMYALCLEXWACST-SNVBAGLBSA-N 0 1 382.180 2.617 20 0 GFADMN CC(C)N1C(=O)C[C@H](NC[C@@H](C)S(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411638237 563627030 /nfs/dbraw/zinc/62/70/30/563627030.db2.gz ZSEMZGWLLRKAGO-PJQXDXOGSA-N 0 1 390.908 2.552 20 0 GFADMN CC(C)N1C(=O)C[C@H](NC[C@@H](C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411638241 563627123 /nfs/dbraw/zinc/62/71/23/563627123.db2.gz ZSEMZGWLLRKAGO-XQAQDONZSA-N 0 1 390.908 2.552 20 0 GFADMN [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)C1 ZINC000333336285 563628594 /nfs/dbraw/zinc/62/85/94/563628594.db2.gz XDQJFSLUNVLQMX-CJNGLKHVSA-N 0 1 383.286 2.513 20 0 GFADMN O=C(c1c(F)cccc1Br)N1CCC(n2ncc3c2CNC3)CC1 ZINC000333360554 563628862 /nfs/dbraw/zinc/62/88/62/563628862.db2.gz CUPNMSSYMUYDOY-UHFFFAOYSA-N 0 1 393.260 2.865 20 0 GFADMN O=C(NCC(F)(F)Br)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000288305113 563637449 /nfs/dbraw/zinc/63/74/49/563637449.db2.gz RVDFUNGHENSGRM-UHFFFAOYSA-N 0 1 397.126 2.543 20 0 GFADMN C[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CCN1CC(C)(C)O ZINC000434866323 563640034 /nfs/dbraw/zinc/64/00/34/563640034.db2.gz CBTDXTGNHKTYKD-NSHDSACASA-N 0 1 375.847 2.605 20 0 GFADMN COC[C@@H]1C[C@H](O)CN1[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000411904875 563640508 /nfs/dbraw/zinc/64/05/08/563640508.db2.gz AQDHELJIKCUJPU-XWUBHJNHSA-N 0 1 375.296 2.641 20 0 GFADMN CN(C)C(=O)[C@@H]1CCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000411930436 563641100 /nfs/dbraw/zinc/64/11/00/563641100.db2.gz GSKCSANDLNPWHV-LLVKDONJSA-N 0 1 375.694 2.891 20 0 GFADMN OC[C@H](NCc1c(F)c(F)c(Br)c(F)c1F)[C@H]1CCCOC1 ZINC000411990142 563643383 /nfs/dbraw/zinc/64/33/83/563643383.db2.gz QTOBXGXQDOSFOM-CBAPKCEASA-N 0 1 386.183 2.883 20 0 GFADMN OC[C@H](NCc1ncc(-c2ccc(Br)cc2)o1)[C@H]1CCCOC1 ZINC000411999272 563644131 /nfs/dbraw/zinc/64/41/31/563644131.db2.gz XGJUQZVWHMRCQR-ZFWWWQNUSA-N 0 1 381.270 2.981 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000435214146 563645232 /nfs/dbraw/zinc/64/52/32/563645232.db2.gz AYPNQUKGBDBIAQ-CQSZACIVSA-N 0 1 375.332 2.781 20 0 GFADMN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)n[nH]1 ZINC000288570364 563648084 /nfs/dbraw/zinc/64/80/84/563648084.db2.gz RMTLKXCNVXNRDD-GXFFZTMASA-N 0 1 393.289 2.515 20 0 GFADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000333998966 563649384 /nfs/dbraw/zinc/64/93/84/563649384.db2.gz PZROALKBVDIBMG-UHFFFAOYSA-N 0 1 399.925 2.975 20 0 GFADMN CS[C@H]1CN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C[C@H]1N(C)C ZINC000435425146 563649506 /nfs/dbraw/zinc/64/95/06/563649506.db2.gz CCRSEPBVGNAQJD-NEPJUHHUSA-N 0 1 387.329 2.799 20 0 GFADMN CC(C)[C@@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)N(C)C ZINC000435467110 563651924 /nfs/dbraw/zinc/65/19/24/563651924.db2.gz CMWDZEYQTSDKMI-HNNXBMFYSA-N 0 1 383.265 3.503 20 0 GFADMN Brc1ccn2cc(-c3nc([C@H]4CN5CCC[C@@H]5CO4)no3)nc2c1 ZINC000288952309 563662626 /nfs/dbraw/zinc/66/26/26/563662626.db2.gz BDZICAJIEBISMI-DGCLKSJQSA-N 0 1 390.241 2.683 20 0 GFADMN CN(CCc1ccc(Br)cc1)C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000436419700 563669944 /nfs/dbraw/zinc/66/99/44/563669944.db2.gz KHUZVZQZHNGDJA-UHFFFAOYSA-N 0 1 388.269 2.887 20 0 GFADMN COc1nc(C)c(Br)cc1-c1noc([C@H]2C[C@@H]2c2nc[nH]n2)n1 ZINC000350336268 563671211 /nfs/dbraw/zinc/67/12/11/563671211.db2.gz WHBVDULTZVTBCN-YUMQZZPRSA-N 0 1 377.202 2.600 20 0 GFADMN COc1ccc(Br)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289393008 563673673 /nfs/dbraw/zinc/67/36/73/563673673.db2.gz FHHTZKLGUFWTGO-UHFFFAOYSA-N 0 1 396.373 2.917 20 0 GFADMN CS(=O)(=O)c1ccc(-c2nc(CN[C@@H](CO)C3CCCC3)cs2)cc1 ZINC000289500842 563676644 /nfs/dbraw/zinc/67/66/44/563676644.db2.gz KWANHHAFWMQGHO-KRWDZBQOSA-N 0 1 380.535 2.854 20 0 GFADMN COCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1n[nH]c(C)n1 ZINC000412984819 563679004 /nfs/dbraw/zinc/67/90/04/563679004.db2.gz QJNHKEAXKNPPFR-VIFPVBQESA-N 0 1 379.873 2.976 20 0 GFADMN O=c1ccc(Br)cn1CCc1nc(-c2ccn3cncc3c2)no1 ZINC000351111064 563682024 /nfs/dbraw/zinc/68/20/24/563682024.db2.gz WGMQKRVXYFLGNL-UHFFFAOYSA-N 0 1 386.209 2.551 20 0 GFADMN Cc1ccc(Br)c(CNC(=O)NCCCCN2CCOCC2)c1 ZINC000413116101 563682213 /nfs/dbraw/zinc/68/22/13/563682213.db2.gz VNKWNKAMCKXIOX-UHFFFAOYSA-N 0 1 384.318 2.669 20 0 GFADMN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(I)ccc2[O-])C1 ZINC000436937851 563685976 /nfs/dbraw/zinc/68/59/76/563685976.db2.gz JQVVBXBTNHVAAO-VXGBXAGGSA-N 0 1 388.249 2.599 20 0 GFADMN Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000360674138 563693777 /nfs/dbraw/zinc/69/37/77/563693777.db2.gz SLFBHJJPOXUNOJ-FUHWJXTLSA-N 0 1 395.341 2.917 20 0 GFADMN COCc1nc([C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(Cl)c2)n[nH]1 ZINC000290009113 563694233 /nfs/dbraw/zinc/69/42/33/563694233.db2.gz XJMUBKVEWNBSOF-ZDUSSCGKSA-N 0 1 388.852 2.660 20 0 GFADMN O=C(NCCN1CCCOCC1)NCc1cccc(Br)c1Cl ZINC000413563361 563697293 /nfs/dbraw/zinc/69/72/93/563697293.db2.gz BWJXIJVXJXITFL-UHFFFAOYSA-N 0 1 390.709 2.624 20 0 GFADMN COc1ccc(Br)c(CC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 ZINC000361292835 563698661 /nfs/dbraw/zinc/69/86/61/563698661.db2.gz NFVLCVIWHNJSSC-LLVKDONJSA-N 0 1 379.258 2.525 20 0 GFADMN O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000361795205 563701120 /nfs/dbraw/zinc/70/11/20/563701120.db2.gz BBTMBIQWPQKCDX-WMLDXEAASA-N 0 1 399.304 2.748 20 0 GFADMN O=C1C[C@H]([C@H]2CCCCN2Cc2cc3c(c(Br)c2)OCO3)CN1 ZINC000362076579 563703576 /nfs/dbraw/zinc/70/35/76/563703576.db2.gz HIBRRLQLRGPXDD-GXTWGEPZSA-N 0 1 381.270 2.668 20 0 GFADMN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)[C@@H]2CCCc3[nH]cnc32)c1 ZINC000413876948 563708438 /nfs/dbraw/zinc/70/84/38/563708438.db2.gz BMZYMCDUTUYTNX-CQSZACIVSA-N 0 1 381.885 2.593 20 0 GFADMN CS[C@H](C)CCC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC000438674448 563708774 /nfs/dbraw/zinc/70/87/74/563708774.db2.gz PWNYECKAXNJKOL-GFCCVEGCSA-N 0 1 380.495 2.748 20 0 GFADMN COc1cc(CN[C@@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000290480257 563711217 /nfs/dbraw/zinc/71/12/17/563711217.db2.gz VHKSJTZSZDRVBJ-AWEZNQCLSA-N 0 1 382.254 2.995 20 0 GFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cs1 ZINC000438799551 563711209 /nfs/dbraw/zinc/71/12/09/563711209.db2.gz AYLZVENWAILRIB-UHFFFAOYSA-N 0 1 382.463 2.930 20 0 GFADMN COc1c(F)cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1F ZINC000438794357 563711326 /nfs/dbraw/zinc/71/13/26/563711326.db2.gz UVPBAOKOAKCWHF-UHFFFAOYSA-N 0 1 390.751 2.862 20 0 GFADMN CNS(=O)(=O)CCNCc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000438920088 563713066 /nfs/dbraw/zinc/71/30/66/563713066.db2.gz OSZOSPHQWRSGHY-UHFFFAOYSA-N 0 1 386.876 2.697 20 0 GFADMN CCOc1ccc(S(=O)(=O)N(CCN(C)C)C(C)C)cc1Br ZINC000438955532 563714011 /nfs/dbraw/zinc/71/40/11/563714011.db2.gz UMBVBTPLTMWANZ-UHFFFAOYSA-N 0 1 393.347 2.809 20 0 GFADMN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cscc2C)cc1 ZINC000439042218 563716081 /nfs/dbraw/zinc/71/60/81/563716081.db2.gz MXPUFYMBFPUYJT-UHFFFAOYSA-N 0 1 388.536 2.888 20 0 GFADMN Cc1ccc(NC(=O)CN2CCC(c3nc[nH]n3)CC2)c(Br)c1 ZINC000363320151 563719442 /nfs/dbraw/zinc/71/94/42/563719442.db2.gz YCDZBTOJSOBIHF-UHFFFAOYSA-N 0 1 378.274 2.694 20 0 GFADMN CC(=O)NC1CCN(C(=O)C2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000363440620 563723034 /nfs/dbraw/zinc/72/30/34/563723034.db2.gz BNEIAEKSBDAEEM-UHFFFAOYSA-N 0 1 383.945 2.741 20 0 GFADMN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000414226864 563723273 /nfs/dbraw/zinc/72/32/73/563723273.db2.gz WHPMDRSCXSQCKU-WHXUTIOJSA-N 0 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Cc1nc([C@H]2CCN(c3ncnc4cc(F)c(Br)cc43)C2)n[nH]1 ZINC000572849646 564613054 /nfs/dbraw/zinc/61/30/54/564613054.db2.gz UORMCLSFUSYSBY-VIFPVBQESA-N 0 1 377.221 2.952 20 0 GFADMN Cc1nnc([C@H]2CCN(c3ncnc4cc(F)c(Br)cc43)C2)[nH]1 ZINC000572849646 564613056 /nfs/dbraw/zinc/61/30/56/564613056.db2.gz UORMCLSFUSYSBY-VIFPVBQESA-N 0 1 377.221 2.952 20 0 GFADMN CC[C@H](C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000456529981 564616663 /nfs/dbraw/zinc/61/66/63/564616663.db2.gz MIPMMNVVDUDHLQ-WFASDCNBSA-N 0 1 394.313 2.818 20 0 GFADMN CCO[C@@H]1C[C@H](NCc2cn3ccc(Br)cc3n2)[C@H]1n1cccn1 ZINC000550324699 564620587 /nfs/dbraw/zinc/62/05/87/564620587.db2.gz IVIXIHCKANQOPQ-ZMSDIMECSA-N 0 1 390.285 2.802 20 0 GFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000521377008 564625760 /nfs/dbraw/zinc/62/57/60/564625760.db2.gz XWROZAXYUJVJLM-ZDUSSCGKSA-N 0 1 380.432 2.780 20 0 GFADMN Brc1cc(CN[C@@H](c2nnc[nH]2)c2cccnc2)cc2c1OCO2 ZINC000550886649 564634623 /nfs/dbraw/zinc/63/46/23/564634623.db2.gz PJRDFGQBGLYYSQ-CQSZACIVSA-N 0 1 388.225 2.570 20 0 GFADMN C[C@@H](NCc1ccc(S(C)(=O)=O)s1)c1cccc(N2CCOCC2)c1 ZINC000573382767 564635580 /nfs/dbraw/zinc/63/55/80/564635580.db2.gz VJPARRBSISSPJC-CQSZACIVSA-N 0 1 380.535 2.839 20 0 GFADMN O=C(NCc1n[nH]c(C2CC2)n1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000573378451 564635875 /nfs/dbraw/zinc/63/58/75/564635875.db2.gz ILCDDXBMPYMRKO-UHFFFAOYSA-N 0 1 388.642 2.897 20 0 GFADMN COC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000456974596 564641556 /nfs/dbraw/zinc/64/15/56/564641556.db2.gz WXGPANSBJIGCIC-GFCCVEGCSA-N 0 1 379.254 2.932 20 0 GFADMN Cc1sc2ncnc(SCC(=O)N(C)[C@@H]3CN4CCC3CC4)c2c1C ZINC000522042121 564642438 /nfs/dbraw/zinc/64/24/38/564642438.db2.gz KWELDMJQHFZGAG-CQSZACIVSA-N 0 1 376.551 2.953 20 0 GFADMN CC(C)(CN1CCCC1)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000457053641 564644913 /nfs/dbraw/zinc/64/49/13/564644913.db2.gz BFTUKAINDKXORZ-UHFFFAOYSA-N 0 1 386.945 2.885 20 0 GFADMN O=C(NCCCc1nc[nH]n1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000573620451 564646503 /nfs/dbraw/zinc/64/65/03/564646503.db2.gz ZSYFQLBKAITPNV-UHFFFAOYSA-N 0 1 393.163 2.828 20 0 GFADMN COc1cc(C(=O)Nc2c(C(C)C)n[nH]c2C(N)=O)sc1Br ZINC000457108312 564647090 /nfs/dbraw/zinc/64/70/90/564647090.db2.gz CKDOKMPZQANGTJ-UHFFFAOYSA-N 0 1 387.259 2.717 20 0 GFADMN C[N@H+](CCCCNC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000457167410 564650243 /nfs/dbraw/zinc/65/02/43/564650243.db2.gz MAALURCUEZTHEM-UHFFFAOYSA-N 0 1 388.249 2.601 20 0 GFADMN C[N@@H+](CCCCNC(=O)c1cc(I)ccc1[O-])C1CC1 ZINC000457167410 564650246 /nfs/dbraw/zinc/65/02/46/564650246.db2.gz MAALURCUEZTHEM-UHFFFAOYSA-N 0 1 388.249 2.601 20 0 GFADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c1 ZINC000551467245 564650456 /nfs/dbraw/zinc/65/04/56/564650456.db2.gz VRGZHDSFOZQQAY-UHFFFAOYSA-N 0 1 382.869 2.957 20 0 GFADMN CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]1CCCC[C@@H]1O ZINC000573729384 564651686 /nfs/dbraw/zinc/65/16/86/564651686.db2.gz FXEQWOHDINPGHK-ZFWWWQNUSA-N 0 1 389.359 3.000 20 0 GFADMN CCN1C[C@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)C[C@H]1C ZINC000486451715 564652358 /nfs/dbraw/zinc/65/23/58/564652358.db2.gz ORSAYKMIKWWXQE-TYNCELHUSA-N 0 1 394.313 2.816 20 0 GFADMN COc1cc(Br)ccc1CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000486488043 564654295 /nfs/dbraw/zinc/65/42/95/564654295.db2.gz NCXOXAVDIPCJDV-OAHLLOKOSA-N 0 1 384.318 2.939 20 0 GFADMN CON1CCC(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000457341268 564657790 /nfs/dbraw/zinc/65/77/90/564657790.db2.gz ZNFACJLZHPEVKS-UHFFFAOYSA-N 0 1 393.285 2.937 20 0 GFADMN CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1OCCCO)C1CC1 ZINC000573946805 564661031 /nfs/dbraw/zinc/66/10/31/564661031.db2.gz WRCCYMHCSCPZRO-CYBMUJFWSA-N 0 1 399.329 2.872 20 0 GFADMN CO[C@@H](CS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC1 ZINC000574039693 564665111 /nfs/dbraw/zinc/66/51/11/564665111.db2.gz XXELDBGFJCWAMM-AWEZNQCLSA-N 0 1 380.388 2.831 20 0 GFADMN COCCN1CC[C@H](NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000523428709 564666559 /nfs/dbraw/zinc/66/65/59/564666559.db2.gz YUNYBJNWBRDOBQ-IRXDYDNUSA-N 0 1 383.945 2.860 20 0 GFADMN C[C@H](CNS(=O)(=O)c1cc2c(cc1Cl)OCCO2)N1CCC(C)CC1 ZINC000524016006 564675245 /nfs/dbraw/zinc/67/52/45/564675245.db2.gz AREVLPAHSXURSM-CYBMUJFWSA-N 0 1 388.917 2.510 20 0 GFADMN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000487116896 564676729 /nfs/dbraw/zinc/67/67/29/564676729.db2.gz OMGORROAYPLARF-VHSXEESVSA-N 0 1 397.285 2.878 20 0 GFADMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NC1CCOCC1 ZINC000524115458 564677307 /nfs/dbraw/zinc/67/73/07/564677307.db2.gz VGCCJHFDWAWPNI-UHFFFAOYSA-N 0 1 397.298 2.622 20 0 GFADMN O=S(=O)(CCNCc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000574505259 564677748 /nfs/dbraw/zinc/67/77/48/564677748.db2.gz IVLPPBKTLUEKRV-UHFFFAOYSA-N 0 1 398.278 2.741 20 0 GFADMN COC(=O)c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Br)c1 ZINC000552147161 564678903 /nfs/dbraw/zinc/67/89/03/564678903.db2.gz PBXZVBPFHVUVDO-WMZOPIPTSA-N 0 1 398.297 2.645 20 0 GFADMN COc1ccc(Br)c(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000487276876 564680878 /nfs/dbraw/zinc/68/08/78/564680878.db2.gz JXLOQSJPPPKEKS-JTQLQIEISA-N 0 1 381.274 2.920 20 0 GFADMN CC[C@@H]1CN(CC)CCN1C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000457961019 564681747 /nfs/dbraw/zinc/68/17/47/564681747.db2.gz YSPRTFRASGXOSA-OAHLLOKOSA-N 0 1 394.317 2.723 20 0 GFADMN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1sccc1Br ZINC000552332327 564686591 /nfs/dbraw/zinc/68/65/91/564686591.db2.gz MBSZCKSZPSNTAP-QWRGUYRKSA-N 0 1 381.361 2.975 20 0 GFADMN CCOCC(C)(C)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458430533 564701762 /nfs/dbraw/zinc/70/17/62/564701762.db2.gz OWMQEOJOJQEBJI-UHFFFAOYSA-N 0 1 396.289 2.849 20 0 GFADMN CCOCC(C)(C)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458430533 564701764 /nfs/dbraw/zinc/70/17/64/564701764.db2.gz OWMQEOJOJQEBJI-UHFFFAOYSA-N 0 1 396.289 2.849 20 0 GFADMN C[C@H](NCCNC(=O)c1ccc(Br)cc1)c1cc2n(n1)CCC2 ZINC000575691146 564702053 /nfs/dbraw/zinc/70/20/53/564702053.db2.gz YBKCOQQMECRLJI-LBPRGKRZSA-N 0 1 377.286 2.672 20 0 GFADMN C[C@H](NC(=O)NCc1nc2cccc(Br)c2[nH]1)c1cnn(C)c1 ZINC000458451792 564702431 /nfs/dbraw/zinc/70/24/31/564702431.db2.gz WQJBWJHFXJPNKL-VIFPVBQESA-N 0 1 377.246 2.619 20 0 GFADMN Cc1ccnc(NCc2ccc(N3CCN(C)CC3)nc2)c1Br ZINC000552906098 564704414 /nfs/dbraw/zinc/70/44/14/564704414.db2.gz LKWGJEQCLAHVCP-UHFFFAOYSA-N 0 1 376.302 2.911 20 0 GFADMN C[C@@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@@H](C)S1 ZINC000525783892 564708205 /nfs/dbraw/zinc/70/82/05/564708205.db2.gz NFFYSRGVCHKRJD-HZPDHXFCSA-N 0 1 381.973 2.810 20 0 GFADMN CCN(Cc1cc(Br)cc(Br)c1)[C@@H]1CCNC1=O ZINC000576265861 564710231 /nfs/dbraw/zinc/71/02/31/564710231.db2.gz CMDUNVVGBMNEKE-GFCCVEGCSA-N 0 1 376.092 2.922 20 0 GFADMN O=C(NCc1nc2cccc(Br)c2[nH]1)N[C@@H]1CCC[C@H]1CCO ZINC000458690663 564712424 /nfs/dbraw/zinc/71/24/24/564712424.db2.gz PFDQJVOFFZDBIS-CMPLNLGQSA-N 0 1 381.274 2.676 20 0 GFADMN CN(C)CC[NH+]1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000553280066 564714679 /nfs/dbraw/zinc/71/46/79/564714679.db2.gz QLBZHMCMGAOKLT-UHFFFAOYSA-N 0 1 395.267 3.301 20 0 GFADMN C[C@@H]1C[C@@H](C)N1C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000526930937 564722529 /nfs/dbraw/zinc/72/25/29/564722529.db2.gz KKBAJHDGZNZNCP-RKDXNWHRSA-N 0 1 382.201 2.756 20 0 GFADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cnn2cc(Br)cnc12 ZINC000488893023 564723457 /nfs/dbraw/zinc/72/34/57/564723457.db2.gz HCSOFCWJSSLTNS-UHFFFAOYSA-N 0 1 375.161 2.760 20 0 GFADMN CN(C)[C@H](CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000527166841 564732666 /nfs/dbraw/zinc/73/26/66/564732666.db2.gz NWERZMBFJPICLX-UKRRQHHQSA-N 0 1 377.838 2.943 20 0 GFADMN CN1CCN(c2ccc(Br)cc2NC(=O)C[C@H]2CCOC2)CC1 ZINC000489252544 564733368 /nfs/dbraw/zinc/73/33/68/564733368.db2.gz MQLMFJVZWHZZKM-CYBMUJFWSA-N 0 1 382.302 2.566 20 0 GFADMN Cc1cc(Br)cc(C)c1CNC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000489260272 564733993 /nfs/dbraw/zinc/73/39/93/564733993.db2.gz RZNKQGMVJMPFIM-HUUCEWRRSA-N 0 1 398.345 2.662 20 0 GFADMN CC[C@H]1CN(C(=O)NCc2ccc(Br)c(C)c2)CCN1C[C@H](C)O ZINC000459172222 564734194 /nfs/dbraw/zinc/73/41/94/564734194.db2.gz JCKZILDHKOJEIV-HOCLYGCPSA-N 0 1 398.345 2.744 20 0 GFADMN O=C(NCCc1cccc(Cl)c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000489266289 564734489 /nfs/dbraw/zinc/73/44/89/564734489.db2.gz JMGDPDVSESLHLC-AWEZNQCLSA-N 0 1 386.323 2.900 20 0 GFADMN Cc1c(C(=O)NCCN2CC=CCC2)cnn1-c1cccc(Br)c1 ZINC000527268570 564736156 /nfs/dbraw/zinc/73/61/56/564736156.db2.gz VIQMGDBRPBUPCH-UHFFFAOYSA-N 0 1 389.297 2.935 20 0 GFADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000527293642 564737398 /nfs/dbraw/zinc/73/73/98/564737398.db2.gz BTGMNBFRNFOSFO-KBPBESRZSA-N 0 1 390.933 2.516 20 0 GFADMN COc1ccc(Br)c(C(=O)NCCCNCc2cc(C)on2)c1 ZINC000459405158 564743821 /nfs/dbraw/zinc/74/38/21/564743821.db2.gz NEKYJEUSHWCZAL-UHFFFAOYSA-N 0 1 382.258 2.664 20 0 GFADMN CS(=O)(=O)CC1CCC([NH2+]Cc2cccc([O-])c2Br)CC1 ZINC000459568331 564751687 /nfs/dbraw/zinc/75/16/87/564751687.db2.gz KNUBBYDMNJHJSS-UHFFFAOYSA-N 0 1 376.316 2.848 20 0 GFADMN CC(C)C[N@H+]1CCO[C@@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527632212 564752004 /nfs/dbraw/zinc/75/20/04/564752004.db2.gz QZPHVSOZFKAUEM-ZDUSSCGKSA-N 0 1 376.726 2.944 20 0 GFADMN CC(C)CN1CCO[C@@H](CNCc2ncc(Cl)cc2Br)C1 ZINC000527632212 564752010 /nfs/dbraw/zinc/75/20/10/564752010.db2.gz QZPHVSOZFKAUEM-ZDUSSCGKSA-N 0 1 376.726 2.944 20 0 GFADMN O=S1(=O)CCC[C@@H]1CNCc1c[nH]nc1-c1ccc(Br)s1 ZINC000527678307 564755577 /nfs/dbraw/zinc/75/55/77/564755577.db2.gz YUGIFOSJUCTLMZ-SNVBAGLBSA-N 0 1 390.328 2.568 20 0 GFADMN COCc1cc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)no1 ZINC000459711018 564759132 /nfs/dbraw/zinc/75/91/32/564759132.db2.gz VEUHSRQYIDMDNO-GFCCVEGCSA-N 0 1 387.249 2.663 20 0 GFADMN COCC1(S(=O)(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000580481697 564760214 /nfs/dbraw/zinc/76/02/14/564760214.db2.gz LVRMFBSMFANGBR-UHFFFAOYSA-N 0 1 386.945 2.747 20 0 GFADMN C[C@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)C[NH+](C)C ZINC000490048307 564761020 /nfs/dbraw/zinc/76/10/20/564761020.db2.gz LFAXPGKHMUIRIX-SSDOTTSWSA-N 0 1 375.741 2.640 20 0 GFADMN CN(CC(=O)NCc1csc(CCc2ccccc2)n1)[C@@H]1CCSC1 ZINC000490127884 564764641 /nfs/dbraw/zinc/76/46/41/564764641.db2.gz AFUCJXQXLTYZOZ-QGZVFWFLSA-N 0 1 375.563 2.982 20 0 GFADMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cccc(Cl)c1Br ZINC000528049796 564768161 /nfs/dbraw/zinc/76/81/61/564768161.db2.gz UGPAEHBYVDGRBC-NSHDSACASA-N 0 1 381.723 2.721 20 0 GFADMN CN1CCN(c2ccnc(-c3noc([C@@H]4C[C@]4(C)Br)n3)c2)CC1 ZINC000528141344 564771055 /nfs/dbraw/zinc/77/10/55/564771055.db2.gz PEVIRYHJRXEOTM-LRDDRELGSA-N 0 1 378.274 2.524 20 0 GFADMN Cc1nc2ccc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)cc2[nH]1 ZINC000460432424 564775824 /nfs/dbraw/zinc/77/58/24/564775824.db2.gz SYZIDCNEMBUSBH-LBPRGKRZSA-N 0 1 378.479 2.524 20 0 GFADMN COCc1nc([C@@H]2CCCCN2S(=O)(=O)c2cccc(SC)c2)n[nH]1 ZINC000580861059 564777767 /nfs/dbraw/zinc/77/77/67/564777767.db2.gz RKXZQWZEAKMIKS-AWEZNQCLSA-N 0 1 382.511 2.589 20 0 GFADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000528364739 564780411 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C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000555428475 564794324 /nfs/dbraw/zinc/79/43/24/564794324.db2.gz AXVKCMSVGLGRHT-ISVAXAHUSA-N 0 1 384.242 2.557 20 0 GFADMN C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000555428477 564794595 /nfs/dbraw/zinc/79/45/95/564794595.db2.gz AXVKCMSVGLGRHT-SDBXPKJASA-N 0 1 384.242 2.557 20 0 GFADMN C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000491649572 564795605 /nfs/dbraw/zinc/79/56/05/564795605.db2.gz PFFHNWSEHKVGLP-ZDUSSCGKSA-N 0 1 380.432 2.638 20 0 GFADMN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(C)cc2Br)s1 ZINC000555529572 564795856 /nfs/dbraw/zinc/79/58/56/564795856.db2.gz NTTBVLZEGVNFCF-UHFFFAOYSA-N 0 1 390.284 2.973 20 0 GFADMN CNC(=O)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492310827 564801438 /nfs/dbraw/zinc/80/14/38/564801438.db2.gz HLSUWUOZPXXUPK-MRXNPFEDSA-N 0 1 381.245 2.771 20 0 GFADMN CCN(CCNS(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000493081505 564805480 /nfs/dbraw/zinc/80/54/80/564805480.db2.gz QSMIAZWIQHOFQS-UHFFFAOYSA-N 0 1 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O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000635459327 566215049 /nfs/dbraw/zinc/21/50/49/566215049.db2.gz ICPOSQBMRLTDGZ-FMKPAKJESA-N 0 1 376.254 2.876 20 0 GFADMN COc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000657061708 566215800 /nfs/dbraw/zinc/21/58/00/566215800.db2.gz OJPGVVJJUXHOHV-LBPRGKRZSA-N 0 1 391.331 2.609 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(OCC3CC3)cc2)cc1-c1nn[nH]n1 ZINC000737185809 598841684 /nfs/dbraw/zinc/84/16/84/598841684.db2.gz CWKKIGKPNCLHEO-UHFFFAOYSA-N 0 1 398.448 2.730 20 0 GFADMN c1coc([C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[NH+]2CCCC2)c1 ZINC000738447006 598935718 /nfs/dbraw/zinc/93/57/18/598935718.db2.gz ADBRJHQEJQPAHS-OAHLLOKOSA-N 0 1 376.424 2.652 20 0 GFADMN c1coc([C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[NH+]2CCCC2)c1 ZINC000738447006 598935719 /nfs/dbraw/zinc/93/57/19/598935719.db2.gz ADBRJHQEJQPAHS-OAHLLOKOSA-N 0 1 376.424 2.652 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccccc1Cl ZINC000736532819 598983380 /nfs/dbraw/zinc/98/33/80/598983380.db2.gz DGYYZRSZUQEQEW-KRWDZBQOSA-N 0 1 399.886 2.728 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736266452 598994262 /nfs/dbraw/zinc/99/42/62/598994262.db2.gz HUOFXWHQFJNVIN-AWEZNQCLSA-N 0 1 377.452 2.888 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736266452 598994272 /nfs/dbraw/zinc/99/42/72/598994272.db2.gz HUOFXWHQFJNVIN-AWEZNQCLSA-N 0 1 377.452 2.888 20 0 GFADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736266452 598994274 /nfs/dbraw/zinc/99/42/74/598994274.db2.gz HUOFXWHQFJNVIN-AWEZNQCLSA-N 0 1 377.452 2.888 20 0 GFADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736266452 598994275 /nfs/dbraw/zinc/99/42/75/598994275.db2.gz HUOFXWHQFJNVIN-AWEZNQCLSA-N 0 1 377.452 2.888 20 0 GFADMN Cc1ccccc1C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737422602 599075353 /nfs/dbraw/zinc/07/53/53/599075353.db2.gz MVBSZLDTFKVZQM-LJQANCHMSA-N 0 1 376.464 2.581 20 0 GFADMN c1coc(-c2nc(-c3nn[n-]n3)c(N3CC[NH+](CCC4CCCC4)CC3)o2)c1 ZINC000738447120 599132653 /nfs/dbraw/zinc/13/26/53/599132653.db2.gz DOTAMQFEKYMDEV-UHFFFAOYSA-N 0 1 383.456 2.817 20 0 GFADMN C[C@H](c1nn(CN(C)[C@@H](C)C(=O)[O-])c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000818075936 597480649 /nfs/dbraw/zinc/48/06/49/597480649.db2.gz WZZJSIURLUXGGK-NEPJUHHUSA-N 0 1 381.477 2.527 20 0 GFADMN O=C([O-])[C@@H]1CC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1 ZINC000819280905 597526597 /nfs/dbraw/zinc/52/65/97/597526597.db2.gz GVBMHPLEWJWYKG-TZMCWYRMSA-N 0 1 389.502 2.894 20 0 GFADMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1 ZINC000819280905 597526598 /nfs/dbraw/zinc/52/65/98/597526598.db2.gz GVBMHPLEWJWYKG-TZMCWYRMSA-N 0 1 389.502 2.894 20 0 GFADMN Cc1nc(COC(=O)c2ccc(Oc3cccc(F)c3-c3nn[nH]n3)cc2)n[nH]1 ZINC000822444366 607319768 /nfs/dbraw/zinc/31/97/68/607319768.db2.gz NVXNJWPUZPOAGV-UHFFFAOYSA-N 0 1 395.354 2.582 20 0 GFADMN O=C([O-])c1cccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000821547191 598135645 /nfs/dbraw/zinc/13/56/45/598135645.db2.gz FDCHPJOKGFOIJI-UHFFFAOYSA-N 0 1 375.428 2.891 20 0 GFADMN CN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H]1CCCCNC1=O ZINC000736812102 598310351 /nfs/dbraw/zinc/31/03/51/598310351.db2.gz BTQHOQFHYLAJTD-LJQANCHMSA-N 0 1 376.464 2.634 20 0 GFADMN C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000736853991 598408761 /nfs/dbraw/zinc/40/87/61/598408761.db2.gz CEIPEFAKBPQOBX-UHFFFAOYSA-N 0 1 396.426 2.622 20 0 GFADMN C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1 ZINC000736853991 598408763 /nfs/dbraw/zinc/40/87/63/598408763.db2.gz CEIPEFAKBPQOBX-UHFFFAOYSA-N 0 1 396.426 2.622 20 0 GFADMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736440885 598529934 /nfs/dbraw/zinc/52/99/34/598529934.db2.gz HVJNSNRXPXMITM-GWCFXTLKSA-N 0 1 376.486 2.778 20 0 GFADMN O=S(=O)(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1C(F)(F)F ZINC000738341021 598595971 /nfs/dbraw/zinc/59/59/71/598595971.db2.gz CHNCFMWJEDGMBR-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN Cc1ccc2c(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)cc(=O)oc2c1C ZINC000737371673 598719630 /nfs/dbraw/zinc/71/96/30/598719630.db2.gz IALLADTYGZEBSI-UHFFFAOYSA-N 0 1 399.410 2.953 20 0 GFADMN COC(=O)c1cc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)c(C)o1 ZINC000736949141 598721519 /nfs/dbraw/zinc/72/15/19/598721519.db2.gz DHSFKGPPSZPJSU-UHFFFAOYSA-N 0 1 399.794 2.571 20 0 GFADMN C[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000736105420 598742299 /nfs/dbraw/zinc/74/22/99/598742299.db2.gz OMQLGJFWSJAAPY-JTQLQIEISA-N 0 1 397.826 2.653 20 0 GFADMN CC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819835401 599389296 /nfs/dbraw/zinc/38/92/96/599389296.db2.gz XHPSVOJQRWKLAM-STQMWFEESA-N 0 1 378.436 2.747 20 0 GFADMN COc1ccc(CNCc2cccnc2OCC(F)(F)F)cc1-c1nn[nH]n1 ZINC000821818216 599401979 /nfs/dbraw/zinc/40/19/79/599401979.db2.gz LHPGYSHYAOUNFL-UHFFFAOYSA-N 0 1 394.357 2.501 20 0 GFADMN CCN(CCc1ccccc1)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821215500 599564513 /nfs/dbraw/zinc/56/45/13/599564513.db2.gz RMGMQBITWHEDBM-UHFFFAOYSA-N 0 1 375.436 2.981 20 0 GFADMN CN(C[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596329 599591051 /nfs/dbraw/zinc/59/10/51/599591051.db2.gz GXQVFGHRJLILSW-OAHLLOKOSA-N 0 1 390.463 2.837 20 0 GFADMN CN(C[C@@H]1CCCN1Cc1ccc(F)cc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000821596328 599591114 /nfs/dbraw/zinc/59/11/14/599591114.db2.gz GXQVFGHRJLILSW-HNNXBMFYSA-N 0 1 390.463 2.837 20 0 GFADMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000821182181 599673539 /nfs/dbraw/zinc/67/35/39/599673539.db2.gz SGNSPWUEGGLTEX-PBHICJAKSA-N 0 1 397.483 2.903 20 0 GFADMN CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3NC(=O)[O-])cc2)CC1 ZINC000737115091 599709072 /nfs/dbraw/zinc/70/90/72/599709072.db2.gz ILISQQPBHXAEEE-UHFFFAOYSA-N 0 1 396.491 2.844 20 0 GFADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc(C(=O)[O-])c(C)o3)CC2)nc1 ZINC000737155983 599714673 /nfs/dbraw/zinc/71/46/73/599714673.db2.gz YGSSSJSKLWBTTR-UHFFFAOYSA-N 0 1 387.436 2.570 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236129 599719427 /nfs/dbraw/zinc/71/94/27/599719427.db2.gz KMZAFNMMZFDVAI-KGLIPLIRSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738236129 599719428 /nfs/dbraw/zinc/71/94/28/599719428.db2.gz KMZAFNMMZFDVAI-KGLIPLIRSA-N 0 1 393.484 2.748 20 0 GFADMN Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)[NH+]2CCCC2)o1 ZINC000738569363 599734260 /nfs/dbraw/zinc/73/42/60/599734260.db2.gz DQTLATJZUQJSTK-OAHLLOKOSA-N 0 1 396.440 2.541 20 0 GFADMN Cc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000738615140 599821567 /nfs/dbraw/zinc/82/15/67/599821567.db2.gz JHHZTBYKSWODDB-GOSISDBHSA-N 0 1 390.484 2.650 20 0 GFADMN C[NH+]1CCN([C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c2ccccc2)CC1 ZINC000737515467 599896325 /nfs/dbraw/zinc/89/63/25/599896325.db2.gz JAJRRDSNVAQNAV-SFHVURJKSA-N 0 1 388.851 2.932 20 0 GFADMN CCc1ccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)[NH+](C)C)cc1 ZINC000184878820 599929781 /nfs/dbraw/zinc/92/97/81/599929781.db2.gz IWVWQZFUUFYJRX-SFHVURJKSA-N 0 1 390.505 2.837 20 0 GFADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000738049382 599950921 /nfs/dbraw/zinc/95/09/21/599950921.db2.gz QUKYXHBXNUKDPN-KSSFIOAISA-N 0 1 390.480 2.552 20 0 GFADMN Cc1ccc(N2CCC(C(=O)N[C@@H](C(=O)[O-])c3cc(F)ccc3F)CC2)[nH+]c1 ZINC000738617425 599969908 /nfs/dbraw/zinc/96/99/08/599969908.db2.gz UGXQECJIJNYVLI-GOSISDBHSA-N 0 1 389.402 2.827 20 0 GFADMN Cc1nc(C)n([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738848313 599977288 /nfs/dbraw/zinc/97/72/88/599977288.db2.gz SQRZUVVNTYHBAX-GUYCJALGSA-N 0 1 385.468 2.566 20 0 GFADMN Cc1nc(C)n([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)n1 ZINC000738848313 599977291 /nfs/dbraw/zinc/97/72/91/599977291.db2.gz SQRZUVVNTYHBAX-GUYCJALGSA-N 0 1 385.468 2.566 20 0 GFADMN C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000067244448 600004197 /nfs/dbraw/zinc/00/41/97/600004197.db2.gz BZLVARVYDNFAMJ-CQSZACIVSA-N 0 1 394.880 2.720 20 0 GFADMN C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000067244449 600004498 /nfs/dbraw/zinc/00/44/98/600004498.db2.gz BZLVARVYDNFAMJ-AWEZNQCLSA-N 0 1 394.880 2.720 20 0 GFADMN O=C([O-])[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000262639084 600018977 /nfs/dbraw/zinc/01/89/77/600018977.db2.gz GXVIJJSZOJHQFE-CRAIPNDOSA-N 0 1 384.398 2.764 20 0 GFADMN Cc1ccnc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798445 600095800 /nfs/dbraw/zinc/09/58/00/600095800.db2.gz QGOQOABKSINPFM-WMZOPIPTSA-N 0 1 396.491 2.527 20 0 GFADMN Cc1ccnc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000738798445 600095803 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GFADMN Cc1oc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1C(=O)[O-] ZINC000833028386 601217859 /nfs/dbraw/zinc/21/78/59/601217859.db2.gz MNUCZJNTQSZCHJ-UHFFFAOYSA-N 0 1 384.498 2.563 20 0 GFADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000379607530 601227193 /nfs/dbraw/zinc/22/71/93/601227193.db2.gz FGJQPWWGNWFMNF-CRAIPNDOSA-N 0 1 388.489 2.716 20 0 GFADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828295245 601262034 /nfs/dbraw/zinc/26/20/34/601262034.db2.gz CBOJEOQSJSBHGC-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000828295245 601262037 /nfs/dbraw/zinc/26/20/37/601262037.db2.gz CBOJEOQSJSBHGC-AWEZNQCLSA-N 0 1 394.518 2.731 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000398062098 601264690 /nfs/dbraw/zinc/26/46/90/601264690.db2.gz BNELDPDLZNRTHZ-HIFRSBDPSA-N 0 1 394.518 2.635 20 0 GFADMN 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UDAVJXTYRNLHFS-OAQYLSRUSA-N 0 1 396.422 2.551 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2cc(F)cc3nc[nH]c32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833129096 601777074 /nfs/dbraw/zinc/77/70/74/601777074.db2.gz UDAVJXTYRNLHFS-OAQYLSRUSA-N 0 1 396.422 2.551 20 0 GFADMN C[C@H]1C[N@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828303472 601815856 /nfs/dbraw/zinc/81/58/56/601815856.db2.gz SOVOWDOHFUVLKL-DZGCQCFKSA-N 0 1 379.530 2.595 20 0 GFADMN C[C@H]1C[N@@H+](Cn2nc(N3CCC(C)CC3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828303472 601815858 /nfs/dbraw/zinc/81/58/58/601815858.db2.gz SOVOWDOHFUVLKL-DZGCQCFKSA-N 0 1 379.530 2.595 20 0 GFADMN O=C([O-])CCC1CC[NH+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000662218845 601844180 /nfs/dbraw/zinc/84/41/80/601844180.db2.gz USSPFDGMPSKUBU-LJQANCHMSA-N 0 1 387.505 2.926 20 0 GFADMN CC[C@H](NC(=O)[O-])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000739529333 601878301 /nfs/dbraw/zinc/87/83/01/601878301.db2.gz GHNTYGXJSVZWKU-HNNXBMFYSA-N 0 1 387.402 2.832 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827928535 601890052 /nfs/dbraw/zinc/89/00/52/601890052.db2.gz ILQMLVSTVJAAMX-ZFWWWQNUSA-N 0 1 376.478 2.844 20 0 GFADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000827928535 601890056 /nfs/dbraw/zinc/89/00/56/601890056.db2.gz ILQMLVSTVJAAMX-ZFWWWQNUSA-N 0 1 376.478 2.844 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000833221158 601920817 /nfs/dbraw/zinc/92/08/17/601920817.db2.gz CHVUIHUFVCRQBX-QGZVFWFLSA-N 0 1 388.489 2.701 20 0 GFADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000833221158 601920820 /nfs/dbraw/zinc/92/08/20/601920820.db2.gz CHVUIHUFVCRQBX-QGZVFWFLSA-N 0 1 388.489 2.701 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826020746 601924435 /nfs/dbraw/zinc/92/44/35/601924435.db2.gz HUKFJQSDPLGFLC-GXFFZTMASA-N 0 1 376.400 2.925 20 0 GFADMN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCSC[C@H]1CC(=O)[O-] 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/nfs/dbraw/zinc/33/67/39/603336739.db2.gz JKDMGCZJMZWGBN-LSDHHAIUSA-N 0 1 378.448 2.659 20 0 GFADMN Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1NC(=O)[O-] ZINC000830219954 603356452 /nfs/dbraw/zinc/35/64/52/603356452.db2.gz LVZUMKWQTSNXGM-UHFFFAOYSA-N 0 1 383.448 2.847 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@H]1NC(=O)[O-] ZINC000739180344 603414542 /nfs/dbraw/zinc/41/45/42/603414542.db2.gz FFCACPNZZOLHCQ-ZWNOBZJWSA-N 0 1 385.258 2.698 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)CC[C@H]1NC(=O)[O-] ZINC000739180344 603414544 /nfs/dbraw/zinc/41/45/44/603414544.db2.gz FFCACPNZZOLHCQ-ZWNOBZJWSA-N 0 1 385.258 2.698 20 0 GFADMN C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000826057362 603471115 /nfs/dbraw/zinc/47/11/15/603471115.db2.gz HZJFFXCBGQSYNV-HOTGVXAUSA-N 0 1 391.512 2.662 20 0 GFADMN O=C([O-])NC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000832529148 603482144 /nfs/dbraw/zinc/48/21/44/603482144.db2.gz YBHLXSAPDRHBJA-AEFFLSMTSA-N 0 1 377.460 2.686 20 0 GFADMN O=C([O-])NC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000832529148 603482148 /nfs/dbraw/zinc/48/21/48/603482148.db2.gz YBHLXSAPDRHBJA-AEFFLSMTSA-N 0 1 377.460 2.686 20 0 GFADMN CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)[O-] ZINC000824115499 603483443 /nfs/dbraw/zinc/48/34/43/603483443.db2.gz CDMPUSOOIKTJCJ-NXHRZFHOSA-N 0 1 376.501 2.631 20 0 GFADMN CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)[O-] ZINC000824115497 603483526 /nfs/dbraw/zinc/48/35/26/603483526.db2.gz CDMPUSOOIKTJCJ-JQHSSLGASA-N 0 1 376.501 2.631 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)ccc21 ZINC000832635881 603508872 /nfs/dbraw/zinc/50/88/72/603508872.db2.gz GZUOJCTXLMSHER-GOSISDBHSA-N 0 1 384.480 2.609 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)ccc21 ZINC000832635881 603508876 /nfs/dbraw/zinc/50/88/76/603508876.db2.gz GZUOJCTXLMSHER-GOSISDBHSA-N 0 1 384.480 2.609 20 0 GFADMN CCN(CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1)C(=O)[O-] ZINC000827093123 603539900 /nfs/dbraw/zinc/53/99/00/603539900.db2.gz LZSRKUOPCZDADH-UHFFFAOYSA-N 0 1 385.411 2.938 20 0 GFADMN C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828419738 603549462 /nfs/dbraw/zinc/54/94/62/603549462.db2.gz ASRFTSTVKCGTCO-IRXDYDNUSA-N 0 1 389.521 2.694 20 0 GFADMN C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828419738 603549465 /nfs/dbraw/zinc/54/94/65/603549465.db2.gz ASRFTSTVKCGTCO-IRXDYDNUSA-N 0 1 389.521 2.694 20 0 GFADMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000826691884 603583548 /nfs/dbraw/zinc/58/35/48/603583548.db2.gz XCWWVSJOMHNYKA-IRXDYDNUSA-N 0 1 390.484 2.814 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000830839512 603632232 /nfs/dbraw/zinc/63/22/32/603632232.db2.gz MHFXDAJXNQWXIH-UHFFFAOYSA-N 0 1 387.484 2.653 20 0 GFADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000830839512 603632233 /nfs/dbraw/zinc/63/22/33/603632233.db2.gz MHFXDAJXNQWXIH-UHFFFAOYSA-N 0 1 387.484 2.653 20 0 GFADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000824330235 603706051 /nfs/dbraw/zinc/70/60/51/603706051.db2.gz VZIPCUKPNZZAMG-FUHWJXTLSA-N 0 1 376.501 2.762 20 0 GFADMN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000832464533 603727606 /nfs/dbraw/zinc/72/76/06/603727606.db2.gz DCLCUAAKWPGOTO-GBESFXJTSA-N 0 1 388.512 2.634 20 0 GFADMN C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1CNC(=O)[O-] ZINC000825925673 603729168 /nfs/dbraw/zinc/72/91/68/603729168.db2.gz RCEOQROHQXHXDD-WBMJQRKESA-N 0 1 388.493 2.777 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1CNC(=O)[O-] ZINC000825925673 603729171 /nfs/dbraw/zinc/72/91/71/603729171.db2.gz RCEOQROHQXHXDD-WBMJQRKESA-N 0 1 388.493 2.777 20 0 GFADMN C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1CNC(=O)[O-] ZINC000825925671 603729663 /nfs/dbraw/zinc/72/96/63/603729663.db2.gz RCEOQROHQXHXDD-LRDDRELGSA-N 0 1 388.493 2.777 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1CNC(=O)[O-] ZINC000825925671 603729666 /nfs/dbraw/zinc/72/96/66/603729666.db2.gz RCEOQROHQXHXDD-LRDDRELGSA-N 0 1 388.493 2.777 20 0 GFADMN C[C@H]1CCN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825944448 603775113 /nfs/dbraw/zinc/77/51/13/603775113.db2.gz NUYJEUZYJZCURK-HKUYNNGSSA-N 0 1 388.512 2.682 20 0 GFADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000827099049 603778594 /nfs/dbraw/zinc/77/85/94/603778594.db2.gz KEOVJULALNBVQX-RBUKOAKNSA-N 0 1 388.512 2.682 20 0 GFADMN C[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000828360196 603786292 /nfs/dbraw/zinc/78/62/92/603786292.db2.gz RAGBSIHCKYVEKK-UHFFFAOYSA-N 0 1 376.425 2.694 20 0 GFADMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000827881407 603819860 /nfs/dbraw/zinc/81/98/60/603819860.db2.gz CMICYIYFBXPIFH-LLVKDONJSA-N 0 1 388.237 2.601 20 0 GFADMN C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CCC(NC(=O)[O-])CC1 ZINC000828102231 603834305 /nfs/dbraw/zinc/83/43/05/603834305.db2.gz HAXBUXYOUJFZND-UHFFFAOYSA-N 0 1 384.480 2.563 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828259167 603844318 /nfs/dbraw/zinc/84/43/18/603844318.db2.gz JMGVJOVUPOHZSV-OTWHNJEPSA-N 0 1 388.512 2.586 20 0 GFADMN C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-])c1ccccc1Cl ZINC000827994298 603889905 /nfs/dbraw/zinc/88/99/05/603889905.db2.gz KBQOZBUMYSYNFY-VBNZEHGJSA-N 0 1 382.892 2.678 20 0 GFADMN C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000824794093 604041688 /nfs/dbraw/zinc/04/16/88/604041688.db2.gz RWKYKWCQDRJOLC-UXDRXVOSSA-N 0 1 388.512 2.870 20 0 GFADMN C[C@@H](CCNC(=O)N1CCC(CNC(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1 ZINC000824786516 604044063 /nfs/dbraw/zinc/04/40/63/604044063.db2.gz NFHGQEZQKAFGME-INIZCTEOSA-N 0 1 376.501 2.586 20 0 GFADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCN1C(=O)[O-] ZINC000828261042 604070752 /nfs/dbraw/zinc/07/07/52/604070752.db2.gz YFIRXJZHSDBXON-RTBURBONSA-N 0 1 388.512 2.682 20 0 GFADMN O=C([O-])NCCOc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000832667998 604113739 /nfs/dbraw/zinc/11/37/39/604113739.db2.gz HQIMAOFCELWUFO-HNNXBMFYSA-N 0 1 375.469 2.926 20 0 GFADMN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000830819190 604136040 /nfs/dbraw/zinc/13/60/40/604136040.db2.gz XXXWNGIPPZAUNE-KDOFPFPSSA-N 0 1 386.452 2.517 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000825220514 604148567 /nfs/dbraw/zinc/14/85/67/604148567.db2.gz UQJKHTXVRJAYAN-WDSOQIARSA-N 0 1 388.512 2.729 20 0 GFADMN COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3CNC(=O)[O-])n2)c(OC)c1 ZINC000829249916 604171454 /nfs/dbraw/zinc/17/14/54/604171454.db2.gz IOZMKNJHOZDMIQ-SWLSCSKDSA-N 0 1 390.440 2.622 20 0 GFADMN COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3CNC(=O)[O-])n2)c(OC)c1 ZINC000829249916 604171456 /nfs/dbraw/zinc/17/14/56/604171456.db2.gz IOZMKNJHOZDMIQ-SWLSCSKDSA-N 0 1 390.440 2.622 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000825901266 604212252 /nfs/dbraw/zinc/21/22/52/604212252.db2.gz NSVUYKNIFNURPD-JKHFOPOESA-N 0 1 392.544 2.956 20 0 GFADMN C[N@@H+]1CCN(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000828506157 604217373 /nfs/dbraw/zinc/21/73/73/604217373.db2.gz FGUVAWOJGLVJPR-OALUTQOASA-N 0 1 382.464 2.694 20 0 GFADMN C[N@H+]1CCN(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000828506157 604217378 /nfs/dbraw/zinc/21/73/78/604217378.db2.gz FGUVAWOJGLVJPR-OALUTQOASA-N 0 1 382.464 2.694 20 0 GFADMN O=C([O-])CSCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715028246 604300342 /nfs/dbraw/zinc/30/03/42/604300342.db2.gz PBMHUSHKLDDIGH-ROUUACIJSA-N 0 1 391.537 2.500 20 0 GFADMN C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1(C(=O)[O-])CCCC1 ZINC000830682385 604454971 /nfs/dbraw/zinc/45/49/71/604454971.db2.gz XDIWADWYNWFKCO-UHFFFAOYSA-N 0 1 391.212 2.995 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](CNc3cc(C)ccn3)C2)c1 ZINC000832040972 604465009 /nfs/dbraw/zinc/46/50/09/604465009.db2.gz MOLCXIFGQFNKAS-MGPUTAFESA-N 0 1 385.464 2.967 20 0 GFADMN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](CNc3cc(C)ccn3)C2)c1 ZINC000832040972 604465013 /nfs/dbraw/zinc/46/50/13/604465013.db2.gz MOLCXIFGQFNKAS-MGPUTAFESA-N 0 1 385.464 2.967 20 0 GFADMN COc1cccc(OCC[NH+]2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000832572919 604506059 /nfs/dbraw/zinc/50/60/59/604506059.db2.gz KZELOLIUADFUPC-HXUWFJFHSA-N 0 1 388.439 2.657 20 0 GFADMN O=C([O-])c1cc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c[nH]1 ZINC000833780196 604536038 /nfs/dbraw/zinc/53/60/38/604536038.db2.gz UGJZJLGCPFGSKH-UHFFFAOYSA-N 0 1 383.370 2.929 20 0 GFADMN O=C([O-])c1cc(C[NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c[nH]1 ZINC000833780196 604536039 /nfs/dbraw/zinc/53/60/39/604536039.db2.gz UGJZJLGCPFGSKH-UHFFFAOYSA-N 0 1 383.370 2.929 20 0 GFADMN COc1cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1NC(=O)[O-] ZINC000829167552 604537709 /nfs/dbraw/zinc/53/77/09/604537709.db2.gz NHIMJPYRQPULBX-GOEBONIOSA-N 0 1 392.456 2.550 20 0 GFADMN C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000825426342 604552740 /nfs/dbraw/zinc/55/27/40/604552740.db2.gz CCVMXCZLSJMCBK-QGTPRVQTSA-N 0 1 390.484 2.780 20 0 GFADMN Cc1cc(NC(=O)[C@H](NC(=O)[O-])C(C)C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000832892773 604597188 /nfs/dbraw/zinc/59/71/88/604597188.db2.gz DUZPRODNSUIYBO-PKOBYXMFSA-N 0 1 399.495 2.869 20 0 GFADMN C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1 ZINC000825902506 604605224 /nfs/dbraw/zinc/60/52/24/604605224.db2.gz ZBEJUYFTEAIXQU-YJBOKZPZSA-N 0 1 380.533 2.719 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000825354079 604634536 /nfs/dbraw/zinc/63/45/36/604634536.db2.gz ZCIORPFIHYIYNH-GWCFXTLKSA-N 0 1 390.267 2.679 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000825354079 604634540 /nfs/dbraw/zinc/63/45/40/604634540.db2.gz ZCIORPFIHYIYNH-GWCFXTLKSA-N 0 1 390.267 2.679 20 0 GFADMN CC[N@@H+]1CCc2nc(NC(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)sc2C1 ZINC000827236342 604661752 /nfs/dbraw/zinc/66/17/52/604661752.db2.gz DEHBMEBOXBFYKY-LBPRGKRZSA-N 0 1 380.514 2.876 20 0 GFADMN CC[N@H+]1CCc2nc(NC(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)sc2C1 ZINC000827236342 604661756 /nfs/dbraw/zinc/66/17/56/604661756.db2.gz DEHBMEBOXBFYKY-LBPRGKRZSA-N 0 1 380.514 2.876 20 0 GFADMN C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC000833697914 604706424 /nfs/dbraw/zinc/70/64/24/604706424.db2.gz JMHBPIMFRGPORD-IAGOWNOFSA-N 0 1 394.880 2.762 20 0 GFADMN C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC000833697914 604706428 /nfs/dbraw/zinc/70/64/28/604706428.db2.gz 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CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000829139961 604958562 /nfs/dbraw/zinc/95/85/62/604958562.db2.gz BHILIVYATUWTJY-QAPCUYQASA-N 0 1 389.496 2.623 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000833416684 604979169 /nfs/dbraw/zinc/97/91/69/604979169.db2.gz DNUBLYTVCSGZNE-OAHLLOKOSA-N 0 1 379.526 2.639 20 0 GFADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000833416684 604979175 /nfs/dbraw/zinc/97/91/75/604979175.db2.gz DNUBLYTVCSGZNE-OAHLLOKOSA-N 0 1 379.526 2.639 20 0 GFADMN CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000833423300 604981792 /nfs/dbraw/zinc/98/17/92/604981792.db2.gz HNVDTLPTSBLHFU-PKOBYXMFSA-N 0 1 394.487 2.577 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000830328484 604987588 /nfs/dbraw/zinc/98/75/88/604987588.db2.gz PIEHGBOHOHUFMY-CYBMUJFWSA-N 0 1 377.470 2.788 20 0 GFADMN 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CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833468096 605785483 /nfs/dbraw/zinc/78/54/83/605785483.db2.gz MOKJYQPKUGYNNT-UHOFOFEASA-N 0 1 385.867 2.880 20 0 GFADMN CC(=O)c1[nH]c(CC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C(=O)[O-])c1C ZINC000833400908 605803557 /nfs/dbraw/zinc/80/35/57/605803557.db2.gz RBBVZHFJSIGRDJ-DZGCQCFKSA-N 0 1 389.496 2.536 20 0 GFADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CCCCC[C@@H]3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000833635348 605853776 /nfs/dbraw/zinc/85/37/76/605853776.db2.gz SPIPFSSVNNSGPC-GPMSIDNRSA-N 0 1 389.496 2.568 20 0 GFADMN C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@@H]3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000833635348 605853779 /nfs/dbraw/zinc/85/37/79/605853779.db2.gz SPIPFSSVNNSGPC-GPMSIDNRSA-N 0 1 389.496 2.568 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000833827345 605886202 /nfs/dbraw/zinc/88/62/02/605886202.db2.gz AVZNJTNGVYPYDH-NQBHXWOUSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)C2)CC1 ZINC000834093025 605894256 /nfs/dbraw/zinc/89/42/56/605894256.db2.gz HNXPOUXYCWGNCS-QUCCMNQESA-N 0 1 388.508 2.907 20 0 GFADMN O=C([O-])N1CCC2(CC[N@H+](C[C@@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000834094461 605898118 /nfs/dbraw/zinc/89/81/18/605898118.db2.gz RXQMPXZDBXFHTH-MRXNPFEDSA-N 0 1 382.888 2.683 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000832239559 605904449 /nfs/dbraw/zinc/90/44/49/605904449.db2.gz KJCQUIASTHAJCT-MQVJKMGUSA-N 0 1 392.500 2.632 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000832239559 605904452 /nfs/dbraw/zinc/90/44/52/605904452.db2.gz KJCQUIASTHAJCT-MQVJKMGUSA-N 0 1 392.500 2.632 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833833646 605907646 /nfs/dbraw/zinc/90/76/46/605907646.db2.gz ZEEFQNURPIWLRX-ZIAGYGMSSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833833646 605907650 /nfs/dbraw/zinc/90/76/50/605907650.db2.gz ZEEFQNURPIWLRX-ZIAGYGMSSA-N 0 1 389.452 2.645 20 0 GFADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000833827537 605908898 /nfs/dbraw/zinc/90/88/98/605908898.db2.gz BGALOFSMEUBKQW-GRYCIOLGSA-N 0 1 377.268 2.711 20 0 GFADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000833827539 605909022 /nfs/dbraw/zinc/90/90/22/605909022.db2.gz BGALOFSMEUBKQW-IJLUTSLNSA-N 0 1 377.268 2.711 20 0 GFADMN O=C([O-])Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000834262445 605914074 /nfs/dbraw/zinc/91/40/74/605914074.db2.gz QXMOLZYOZYTQSP-GOSISDBHSA-N 0 1 384.436 2.665 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000832234881 605943875 /nfs/dbraw/zinc/94/38/75/605943875.db2.gz MRUHJSSBDYACHW-JLYLLQBASA-N 0 1 386.496 2.878 20 0 GFADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000832234881 605943876 /nfs/dbraw/zinc/94/38/76/605943876.db2.gz MRUHJSSBDYACHW-JLYLLQBASA-N 0 1 386.496 2.878 20 0 GFADMN CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000833856892 605950406 /nfs/dbraw/zinc/95/04/06/605950406.db2.gz WXHCHGAMSZOMKU-DFNIBXOVSA-N 0 1 388.512 2.953 20 0 GFADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000833870136 606019164 /nfs/dbraw/zinc/01/91/64/606019164.db2.gz FWTOAMJPPWYKHV-UHFFFAOYSA-N 0 1 390.484 2.549 20 0 GFADMN O=C([O-])N1CCC(CCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000833990404 606036452 /nfs/dbraw/zinc/03/64/52/606036452.db2.gz ANBSLNNPMXZCHX-FQEVSTJZSA-N 0 1 387.524 2.837 20 0 GFADMN CC(C)CN(CC(=O)Nc1ccc(O)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820081344 606159060 /nfs/dbraw/zinc/15/90/60/606159060.db2.gz CSIIAROKUAPLNN-UHFFFAOYSA-N 0 1 380.452 2.669 20 0 GFADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563524 606159123 /nfs/dbraw/zinc/15/91/23/606159123.db2.gz RQXMWDDHJKURFH-ASHKIFAZSA-N 0 1 385.493 2.676 20 0 GFADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820563525 606159205 /nfs/dbraw/zinc/15/92/05/606159205.db2.gz RQXMWDDHJKURFH-LOKFHWFJSA-N 0 1 385.493 2.676 20 0 GFADMN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000821123260 606193094 /nfs/dbraw/zinc/19/30/94/606193094.db2.gz OSBDSDCNMXPIKY-UHFFFAOYSA-N 0 1 378.396 2.924 20 0 GFADMN C[C@@H](NCc1cc(-c2nn[nH]n2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000820427266 606215424 /nfs/dbraw/zinc/21/54/24/606215424.db2.gz REUCCJRRKKUHQI-CYBMUJFWSA-N 0 1 397.508 2.645 20 0 GFADMN CC(C)CCN1Cc2cccc(NC(=O)c3cc(-c4nn[nH]n4)cn3C)c2C1 ZINC000820076378 606244438 /nfs/dbraw/zinc/24/44/38/606244438.db2.gz JDPNOWBERPPRDS-UHFFFAOYSA-N 0 1 379.468 2.819 20 0 GFADMN C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820418535 606309243 /nfs/dbraw/zinc/30/92/43/606309243.db2.gz BFVUPDOURBFQDN-HEHGZKQESA-N 0 1 382.493 2.815 20 0 GFADMN Fc1ccc2c(c1)[C@@H](N1CCN(c3cccc(F)c3-c3nn[nH]n3)CC1)CC2 ZINC000822782920 606374508 /nfs/dbraw/zinc/37/45/08/606374508.db2.gz MAKHZQHEMBAMLJ-KRWDZBQOSA-N 0 1 382.418 2.954 20 0 GFADMN C[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820418565 606624234 /nfs/dbraw/zinc/62/42/34/606624234.db2.gz BJEWTHXXUMJIRH-PXAZEXFGSA-N 0 1 382.855 2.976 20 0 GFADMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589416 606636970 /nfs/dbraw/zinc/63/69/70/606636970.db2.gz YSONXEMQHDWVEY-UHFFFAOYSA-N 0 1 387.318 2.825 20 0 GFADMN OCC1CC[NH+](Cc2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000823715046 606657780 /nfs/dbraw/zinc/65/77/80/606657780.db2.gz QRBCWGKVTZQKAE-UHFFFAOYSA-N 0 1 384.509 2.745 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1-c1nn[nH]n1 ZINC000821971037 606702528 /nfs/dbraw/zinc/70/25/28/606702528.db2.gz WIMHYFSHVZNSEF-SECBINFHSA-N 0 1 388.428 2.628 20 0 GFADMN CC1(C)C[C@H](NCc2cnc3ccc(-c4nn[nH]n4)cn23)c2ccccc2O1 ZINC000820590514 606741821 /nfs/dbraw/zinc/74/18/21/606741821.db2.gz VKJIDGGSPABJDT-INIZCTEOSA-N 0 1 375.436 2.906 20 0 GFADMN Cc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822240252 606788210 /nfs/dbraw/zinc/78/82/10/606788210.db2.gz ZIXLLEIVUQYCPR-UHFFFAOYSA-N 0 1 385.783 2.908 20 0 GFADMN C[C@@H]1CC/C(=C\C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)C1 ZINC000820674661 606807270 /nfs/dbraw/zinc/80/72/70/606807270.db2.gz FNBGFOKKPRXUJF-MBFWDRTGSA-N 0 1 382.468 2.513 20 0 GFADMN CC[C@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820972888 606811488 /nfs/dbraw/zinc/81/14/88/606811488.db2.gz RNDNZPFHIBFDOU-HKUYNNGSSA-N 0 1 397.527 2.663 20 0 GFADMN O[C@@H](CSc1nc(-c2ccccc2F)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823698254 606846612 /nfs/dbraw/zinc/84/66/12/606846612.db2.gz OUHLVTCFJLOWEH-AWEZNQCLSA-N 0 1 383.412 2.617 20 0 GFADMN Cc1ccc(-c2n[nH]c(SC[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)n2)cc1 ZINC000822214962 606847866 /nfs/dbraw/zinc/84/78/66/606847866.db2.gz GLFIPMQXPRDONP-OAHLLOKOSA-N 0 1 379.449 2.786 20 0 GFADMN CN(Cc1ccc(Br)s1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821609828 606848961 /nfs/dbraw/zinc/84/89/61/606848961.db2.gz NRPUSQNTJZVHEV-ZDUSSCGKSA-N 0 1 394.298 2.856 20 0 GFADMN Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000737281403 606856447 /nfs/dbraw/zinc/85/64/47/606856447.db2.gz XOPWFPAFQUOBLT-KRWDZBQOSA-N 0 1 395.467 2.887 20 0 GFADMN CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820086773 606902502 /nfs/dbraw/zinc/90/25/02/606902502.db2.gz FJGOLUSSBCPXKU-UXHICEINSA-N 0 1 399.470 2.731 20 0 GFADMN CSc1[nH]c(=O)c(C(=O)N2CCC(CCC(C)C)CC2)cc1-c1nn[nH]n1 ZINC000821970752 607142133 /nfs/dbraw/zinc/14/21/33/607142133.db2.gz RTHNIDMIMGYYLR-UHFFFAOYSA-N 0 1 390.513 2.978 20 0 GFADMN C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413720 607208636 /nfs/dbraw/zinc/20/86/36/607208636.db2.gz UVOHUDKAJCKZEW-BEFAXECRSA-N 0 1 376.464 2.881 20 0 GFADMN O=C(NCCC1=CCCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826436249 607794454 /nfs/dbraw/zinc/79/44/54/607794454.db2.gz NKMRYSWNWKGBEJ-UHFFFAOYSA-N 0 1 395.511 2.584 20 0 GFADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886279 607795668 /nfs/dbraw/zinc/79/56/68/607795668.db2.gz WRVPFXLQLYFGII-HOCLYGCPSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886279 607795669 /nfs/dbraw/zinc/79/56/69/607795669.db2.gz WRVPFXLQLYFGII-HOCLYGCPSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@@H+]1Cc1ccccc1 ZINC000824886279 607795670 /nfs/dbraw/zinc/79/56/70/607795670.db2.gz WRVPFXLQLYFGII-HOCLYGCPSA-N 0 1 396.520 2.959 20 0 GFADMN C[C@H]1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[N@H+]1Cc1ccccc1 ZINC000824886279 607795671 /nfs/dbraw/zinc/79/56/71/607795671.db2.gz WRVPFXLQLYFGII-HOCLYGCPSA-N 0 1 396.520 2.959 20 0 GFADMN O=S(=O)(Nc1cccnc1-c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000826493101 607849189 /nfs/dbraw/zinc/84/91/89/607849189.db2.gz UALLYCUKOLWXMK-UHFFFAOYSA-N 0 1 396.407 2.869 20 0 GFADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000825481416 607879552 /nfs/dbraw/zinc/87/95/52/607879552.db2.gz YNSONUXQXVXACK-UHFFFAOYSA-N 0 1 396.835 2.892 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140639 607911447 /nfs/dbraw/zinc/91/14/47/607911447.db2.gz LLYIFQGLYMHFIK-AEFFLSMTSA-N 0 1 394.508 2.986 20 0 GFADMN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140639 607911448 /nfs/dbraw/zinc/91/14/48/607911448.db2.gz LLYIFQGLYMHFIK-AEFFLSMTSA-N 0 1 394.508 2.986 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140644 607911511 /nfs/dbraw/zinc/91/15/11/607911511.db2.gz LLYIFQGLYMHFIK-WMZOPIPTSA-N 0 1 394.508 2.986 20 0 GFADMN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000825140644 607911512 /nfs/dbraw/zinc/91/15/12/607911512.db2.gz LLYIFQGLYMHFIK-WMZOPIPTSA-N 0 1 394.508 2.986 20 0 GFADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824974725 607913466 /nfs/dbraw/zinc/91/34/66/607913466.db2.gz DYUPHNCKCWQRHX-GJZGRUSLSA-N 0 1 392.463 2.824 20 0 GFADMN CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669459 607923720 /nfs/dbraw/zinc/92/37/20/607923720.db2.gz YGKGRAYURPJANN-KBPBESRZSA-N 0 1 375.498 2.759 20 0 GFADMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825669459 607923721 /nfs/dbraw/zinc/92/37/21/607923721.db2.gz YGKGRAYURPJANN-KBPBESRZSA-N 0 1 375.498 2.759 20 0 GFADMN CN1Cc2ccccc2[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C1 ZINC000826050701 607936636 /nfs/dbraw/zinc/93/66/36/607936636.db2.gz BHNKMEKEKHEHCY-ZDUSSCGKSA-N 0 1 375.358 2.879 20 0 GFADMN C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825870718 607997995 /nfs/dbraw/zinc/99/79/95/607997995.db2.gz ZUOXFUHMEKVIKJ-UHFFFAOYSA-N 0 1 378.392 2.632 20 0 GFADMN CC[C@@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825073662 608021980 /nfs/dbraw/zinc/02/19/80/608021980.db2.gz AFQJXGKQYMDESD-GFCCVEGCSA-N 0 1 382.472 2.508 20 0 GFADMN CC[C@@H](C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825073662 608021981 /nfs/dbraw/zinc/02/19/81/608021981.db2.gz AFQJXGKQYMDESD-GFCCVEGCSA-N 0 1 382.472 2.508 20 0 GFADMN CCN(Cc1ccccc1C)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000825439659 608122300 /nfs/dbraw/zinc/12/23/00/608122300.db2.gz JKVYBJNZCQACCQ-MRXNPFEDSA-N 0 1 382.493 2.864 20 0 GFADMN Cc1ccc([C@H]2CCN([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cc1 ZINC000826285800 608126769 /nfs/dbraw/zinc/12/67/69/608126769.db2.gz KGEPRIZRIDEHHZ-DOTOQJQBSA-N 0 1 394.504 2.831 20 0 GFADMN C[NH+](C)CCN(CCCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825865822 608188681 /nfs/dbraw/zinc/18/86/81/608188681.db2.gz MNVXAILEOOYXAQ-UHFFFAOYSA-N 0 1 391.932 2.977 20 0 GFADMN C[NH+](C)CCN(CCCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825865822 608188682 /nfs/dbraw/zinc/18/86/82/608188682.db2.gz MNVXAILEOOYXAQ-UHFFFAOYSA-N 0 1 391.932 2.977 20 0 GFADMN Cc1cccc2nc(CNC(=O)N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304244 608236920 /nfs/dbraw/zinc/23/69/20/608236920.db2.gz DHLLOSLVNUSQTR-LBPRGKRZSA-N 0 1 376.424 2.612 20 0 GFADMN CCOc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(-c3nn[nH]n3)c1)CCO2 ZINC000825643320 608286136 /nfs/dbraw/zinc/28/61/36/608286136.db2.gz MGBQFPRDMWJQNO-KRWDZBQOSA-N 0 1 381.436 2.887 20 0 GFADMN c1cc(-c2nn[nH]n2)cc(-c2nnc(CN3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)c1 ZINC000826512889 608326572 /nfs/dbraw/zinc/32/65/72/608326572.db2.gz SMYMRZSBLOWIHY-GJZGRUSLSA-N 0 1 395.467 2.555 20 0 GFADMN C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)CC[C@H]1NC(=O)OC(C)(C)C ZINC000824984940 608406334 /nfs/dbraw/zinc/40/63/34/608406334.db2.gz PQMNKYXFVPXSSP-IUODEOHRSA-N 0 1 390.463 2.741 20 0 GFADMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000826282791 608436638 /nfs/dbraw/zinc/43/66/38/608436638.db2.gz CIYXOZZVVINAIP-OAHLLOKOSA-N 0 1 385.493 2.608 20 0 GFADMN CC(C)Oc1cc(CN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)ccn1 ZINC000824319529 608452528 /nfs/dbraw/zinc/45/25/28/608452528.db2.gz SYFKQADBBHGAFH-LJQANCHMSA-N 0 1 394.479 2.747 20 0 GFADMN C[C@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553457 608460573 /nfs/dbraw/zinc/46/05/73/608460573.db2.gz BQONQPRXORHWDQ-LBPRGKRZSA-N 0 1 393.476 2.790 20 0 GFADMN C[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562612 608463790 /nfs/dbraw/zinc/46/37/90/608463790.db2.gz HRVUBKSNRJNROE-NSHDSACASA-N 0 1 388.378 2.757 20 0 GFADMN c1nc(-c2ccccc2)[nH]c1CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826519376 608516026 /nfs/dbraw/zinc/51/60/26/608516026.db2.gz WBVSHGYKCKKICT-UHFFFAOYSA-N 0 1 386.463 2.579 20 0 GFADMN CC[C@H]1Oc2cc([C@@H](C)NCc3cc(-c4nn[nH]n4)ccc3F)ccc2NC1=O ZINC000825219108 608538273 /nfs/dbraw/zinc/53/82/73/608538273.db2.gz HNCPXADBBVEEAU-PIGZYNQJSA-N 0 1 396.426 2.966 20 0 GFADMN CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011132 608569007 /nfs/dbraw/zinc/56/90/07/608569007.db2.gz YOGLUHYVBLFCII-CJNGLKHVSA-N 0 1 388.884 2.643 20 0 GFADMN CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000826011132 608569009 /nfs/dbraw/zinc/56/90/09/608569009.db2.gz YOGLUHYVBLFCII-CJNGLKHVSA-N 0 1 388.884 2.643 20 0 GFADMN C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[nH]n4)cc3)c2)[C@@H](C)CN1C ZINC000824978761 608594898 /nfs/dbraw/zinc/59/48/98/608594898.db2.gz XBMQHDMHGHSHNI-CABCVRRESA-N 0 1 391.479 2.775 20 0 GFADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)o1)NC(=O)OC(C)(C)C ZINC000824193059 608830470 /nfs/dbraw/zinc/83/04/70/608830470.db2.gz RFTCNIWFDWCXLN-AWEZNQCLSA-N 0 1 378.477 2.831 20 0 GFADMN CC(C)[C@H](CC[N@H+](C)Cc1ccc(-c2nn[n-]n2)o1)NC(=O)OC(C)(C)C ZINC000824193059 608830475 /nfs/dbraw/zinc/83/04/75/608830475.db2.gz RFTCNIWFDWCXLN-AWEZNQCLSA-N 0 1 378.477 2.831 20 0 GFADMN CC(C)[C@H](CC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)o1)NC(=O)OC(C)(C)C ZINC000824193059 608830476 /nfs/dbraw/zinc/83/04/76/608830476.db2.gz RFTCNIWFDWCXLN-AWEZNQCLSA-N 0 1 378.477 2.831 20 0 GFADMN COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826181195 608836349 /nfs/dbraw/zinc/83/63/49/608836349.db2.gz PDHFPJAZBLSFBH-UHFFFAOYSA-N 0 1 389.481 2.846 20 0 GFADMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826181195 608836350 /nfs/dbraw/zinc/83/63/50/608836350.db2.gz PDHFPJAZBLSFBH-UHFFFAOYSA-N 0 1 389.481 2.846 20 0 GFADMN COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826181195 608836351 /nfs/dbraw/zinc/83/63/51/608836351.db2.gz PDHFPJAZBLSFBH-UHFFFAOYSA-N 0 1 389.481 2.846 20 0 GFADMN COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826181195 608836352 /nfs/dbraw/zinc/83/63/52/608836352.db2.gz PDHFPJAZBLSFBH-UHFFFAOYSA-N 0 1 389.481 2.846 20 0 GFADMN c1ccc2c(c1)OCC[C@H]2CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826513690 608852197 /nfs/dbraw/zinc/85/21/97/608852197.db2.gz SUJIDFKLTIBMDX-PXNSSMCTSA-N 0 1 377.448 2.806 20 0 GFADMN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547408 609142215 /nfs/dbraw/zinc/14/22/15/609142215.db2.gz NXMMDJYDVQFVRA-UGSOOPFHSA-N 0 1 380.427 2.852 20 0 GFADMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260467 609155901 /nfs/dbraw/zinc/15/59/01/609155901.db2.gz PEOSWNFRFRACTG-UHFFFAOYSA-N 0 1 395.810 2.972 20 0 GFADMN C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531891 609324213 /nfs/dbraw/zinc/32/42/13/609324213.db2.gz RFWXEVRNEWDBET-QRWLVFNGSA-N 0 1 396.470 2.730 20 0 GFADMN O=C1[C@H](NCc2coc3ccccc23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476827 609415900 /nfs/dbraw/zinc/41/59/00/609415900.db2.gz PZELARKSQWXGBP-GOSISDBHSA-N 0 1 388.431 2.898 20 0 GFADMN CC1(C)CN(C(=O)CSc2n[nH]c(=S)s2)C[C@@](C)(C(F)(F)F)O1 ZINC000818183409 660218975 /nfs/dbraw/zinc/21/89/75/660218975.db2.gz VEXCADIQSFEWKI-NSHDSACASA-N 0 1 387.474 2.877 20 0 GFADMN CN(C)S(=O)(=O)c1ccccc1CNC[C@H](O)c1ccc(F)cc1Cl ZINC000818945672 660236272 /nfs/dbraw/zinc/23/62/72/660236272.db2.gz NUAPJLAFEWJWAU-INIZCTEOSA-N 0 1 386.876 2.553 20 0 GFADMN COc1c(C)cnc(CNC[C@@H](O)COc2ccc(Br)cc2)c1C ZINC000818986831 660241527 /nfs/dbraw/zinc/24/15/27/660241527.db2.gz BBRHCTKPOBTGER-OAHLLOKOSA-N 0 1 395.297 2.999 20 0 GFADMN O=C1[C@H](NC[C@H](O)c2ccccc2Br)CCN1c1ccccc1 ZINC000819046441 660244528 /nfs/dbraw/zinc/24/45/28/660244528.db2.gz OSPXQPIJBLVSQI-SJORKVTESA-N 0 1 375.266 2.878 20 0 GFADMN Cc1cc(CNC[C@@H](O)c2cccc(Br)c2)nc(N2CCCC2)n1 ZINC000819328639 660255140 /nfs/dbraw/zinc/25/51/40/660255140.db2.gz HLNZEAMJESOUAP-QGZVFWFLSA-N 0 1 391.313 2.971 20 0 GFADMN COCC(C)(C)N1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000819635202 660265808 /nfs/dbraw/zinc/26/58/08/660265808.db2.gz CNHBJJHLAQKNGR-MRXNPFEDSA-N 0 1 389.323 2.986 20 0 GFADMN CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)cc1 ZINC000820801513 660307129 /nfs/dbraw/zinc/30/71/29/660307129.db2.gz QDAXGHFZCSCDFQ-UHFFFAOYSA-N 0 1 380.491 2.918 20 0 GFADMN CCOC(=O)CC1(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)CC1 ZINC000821173580 660318014 /nfs/dbraw/zinc/31/80/14/660318014.db2.gz RSIXLUKSCNFIMQ-UHFFFAOYSA-N 0 1 386.495 2.688 20 0 GFADMN CN(CCn1cnc(Br)n1)Cc1ccc(Br)s1 ZINC000821348790 660322457 /nfs/dbraw/zinc/32/24/57/660322457.db2.gz RAPUYNLQQDBXGY-UHFFFAOYSA-N 0 1 380.109 2.997 20 0 GFADMN O=C(c1csc(Br)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000821443817 660326181 /nfs/dbraw/zinc/32/61/81/660326181.db2.gz UHJOSDWYRMBUBZ-SECBINFHSA-N 0 1 382.287 2.921 20 0 GFADMN FC(F)Oc1cc(Br)ccc1-c1noc([C@H]2CNCCO2)n1 ZINC000822979994 660359240 /nfs/dbraw/zinc/35/92/40/660359240.db2.gz BPAGZQSGXAYTRI-SNVBAGLBSA-N 0 1 376.157 2.761 20 0 GFADMN CC(C)(Cc1cccc(Br)c1)c1noc(C[C@H]2COCCN2)n1 ZINC000823263607 660366604 /nfs/dbraw/zinc/36/66/04/660366604.db2.gz KRENVZUTGQASOV-AWEZNQCLSA-N 0 1 380.286 2.883 20 0 GFADMN CCN(Cc1occc1C)C(=O)c1cnc(I)c(O)c1 ZINC000823604948 660376161 /nfs/dbraw/zinc/37/61/61/660376161.db2.gz KOYFBSFDWCZPHU-UHFFFAOYSA-N 0 1 386.189 2.956 20 0 GFADMN Cn1nccc1[C@H]1C[C@H](NCc2nc3ccccn3c2Br)CCO1 ZINC000825045219 660408484 /nfs/dbraw/zinc/40/84/84/660408484.db2.gz CMNQLBITUBNVOW-IUODEOHRSA-N 0 1 390.285 2.840 20 0 GFADMN Cc1ncc([C@@H](C)NC(=O)c2cnc(I)c(O)c2)s1 ZINC000825251398 660417578 /nfs/dbraw/zinc/41/75/78/660417578.db2.gz WUFTYLNBMVTEMY-ZCFIWIBFSA-N 0 1 389.218 2.648 20 0 GFADMN Cn1ccnc1[C@@H]1C[C@H](NCc2nc3ccccn3c2Br)CCO1 ZINC000825325337 660420799 /nfs/dbraw/zinc/42/07/99/660420799.db2.gz BBOUUGCDSBEREB-OCCSQVGLSA-N 0 1 390.285 2.840 20 0 GFADMN Cn1ccnc1[C@H]1C[C@@H](NCc2nc3ccccn3c2Br)CCO1 ZINC000825325333 660420816 /nfs/dbraw/zinc/42/08/16/660420816.db2.gz BBOUUGCDSBEREB-GXTWGEPZSA-N 0 1 390.285 2.840 20 0 GFADMN C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccccc1Br ZINC000825342809 660421970 /nfs/dbraw/zinc/42/19/70/660421970.db2.gz HBXLSLPKGCSTPX-GUYCJALGSA-N 0 1 398.322 2.935 20 0 GFADMN O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1n[nH]c2ccc(Br)cc21 ZINC000825448584 660427772 /nfs/dbraw/zinc/42/77/72/660427772.db2.gz XBPUDWKVUZUQDJ-LBPRGKRZSA-N 0 1 394.269 2.641 20 0 GFADMN O=C(NC[C@H]1CC2(CO1)CCOCC2)c1cc(Br)cc(F)c1O ZINC000825474571 660429070 /nfs/dbraw/zinc/42/90/70/660429070.db2.gz HEBXNYOOOBOLBQ-LLVKDONJSA-N 0 1 388.233 2.609 20 0 GFADMN COc1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)cc1Cl ZINC000826211884 660451493 /nfs/dbraw/zinc/45/14/93/660451493.db2.gz YKKZBFNWYLKKCR-UHFFFAOYSA-N 0 1 379.829 2.638 20 0 GFADMN CN(C(=O)c1cc(Br)n(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000826574585 660457946 /nfs/dbraw/zinc/45/79/46/660457946.db2.gz SYOISGGLAIDBRS-HNNXBMFYSA-N 0 1 391.313 2.919 20 0 GFADMN CC(C)[N@@H+](CCC(=O)[O-])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000826946574 660472796 /nfs/dbraw/zinc/47/27/96/660472796.db2.gz CAOJBNCXTGKZPE-UHFFFAOYSA-N 0 1 379.201 2.851 20 0 GFADMN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)CC(F)(F)F)[C@H]1Sc1ccccc1 ZINC000827044854 660476883 /nfs/dbraw/zinc/47/68/83/660476883.db2.gz 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LDDNUWNULAOQBG-QGZVFWFLSA-N 0 1 391.269 2.880 20 0 GFADMN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Br)nc1C)OCO2 ZINC000794873120 658630135 /nfs/dbraw/zinc/63/01/35/658630135.db2.gz POMWFOHNMVJFSZ-UHFFFAOYSA-N 0 1 385.239 2.990 20 0 GFADMN CC(C)c1n[nH]c(COC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 ZINC000795312217 658804388 /nfs/dbraw/zinc/80/43/88/658804388.db2.gz VLFQBZSJYWMQEJ-UHFFFAOYSA-N 0 1 377.344 2.579 20 0 GFADMN CC(C)c1nc(COC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n[nH]1 ZINC000795312217 658804394 /nfs/dbraw/zinc/80/43/94/658804394.db2.gz VLFQBZSJYWMQEJ-UHFFFAOYSA-N 0 1 377.344 2.579 20 0 GFADMN CNC(=O)Nc1cc(NS(=O)(=O)c2cnc(Cl)c(F)c2)ccc1F ZINC000795375819 658812524 /nfs/dbraw/zinc/81/25/24/658812524.db2.gz XASMRODXEXULGU-UHFFFAOYSA-N 0 1 376.772 2.565 20 0 GFADMN Cc1nc(COC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)n[nH]1 ZINC000795491481 658825253 /nfs/dbraw/zinc/82/52/53/658825253.db2.gz PZWBQDZEYDMKHF-HNNXBMFYSA-N 0 1 379.258 2.756 20 0 GFADMN Cc1nc(COC(=O)c2ccc3cc(I)ccc3n2)n[nH]1 ZINC000796768246 658937918 /nfs/dbraw/zinc/93/79/18/658937918.db2.gz NOXHVCRFDSRZPK-UHFFFAOYSA-N 0 1 394.172 2.623 20 0 GFADMN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1F)N1CCCCC1 ZINC000798429698 659103467 /nfs/dbraw/zinc/10/34/67/659103467.db2.gz IUQXURVCNIVZOV-NSHDSACASA-N 0 1 379.295 2.741 20 0 GFADMN CCc1noc(C)c1[C@@H](C)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000799726165 659217652 /nfs/dbraw/zinc/21/76/52/659217652.db2.gz LTCJIECRODWTTM-SNVBAGLBSA-N 0 1 389.880 2.967 20 0 GFADMN COc1ccc(Br)cc1CC(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802138629 659448683 /nfs/dbraw/zinc/44/86/83/659448683.db2.gz MBOUCHKZJKHQED-HNNXBMFYSA-N 0 1 386.286 2.653 20 0 GFADMN Cc1nc2ccc(Br)cn2c1C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802140453 659449028 /nfs/dbraw/zinc/44/90/28/659449028.db2.gz JVDOQCUMJULNDW-CQSZACIVSA-N 0 1 396.285 2.671 20 0 GFADMN Cc1ccc(N2CCN(C(=O)c3cccc(Br)c3O)CC2=O)cc1 ZINC000804138073 659623657 /nfs/dbraw/zinc/62/36/57/659623657.db2.gz LYYFBTZUDGZSIK-UHFFFAOYSA-N 0 1 389.249 2.952 20 0 GFADMN C[C@H](CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F)N1CCCCC1 ZINC000804961320 659704135 /nfs/dbraw/zinc/70/41/35/659704135.db2.gz QIFQGWKNQPIRLN-LLVKDONJSA-N 0 1 384.395 2.877 20 0 GFADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000805255355 659761617 /nfs/dbraw/zinc/76/16/17/659761617.db2.gz OQOQYFKJMCOOHO-KGLIPLIRSA-N 0 1 382.800 2.827 20 0 GFADMN CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000806322635 659829398 /nfs/dbraw/zinc/82/93/98/659829398.db2.gz BUCFFCXYWVYYBC-IJEWVQPXSA-N 0 1 378.344 2.569 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)/C=C(/C)c2ccccc2Cl)ccc1O ZINC000807384265 659852985 /nfs/dbraw/zinc/85/29/85/659852985.db2.gz CRWJIGWXLRYXLB-LUAWRHEFSA-N 0 1 380.853 2.996 20 0 GFADMN Cc1[nH]nc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c1Br ZINC000807709422 659862668 /nfs/dbraw/zinc/86/26/68/659862668.db2.gz LJHFIJVIVGKZCN-SNVBAGLBSA-N 0 1 393.289 2.947 20 0 GFADMN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000808328730 659888975 /nfs/dbraw/zinc/88/89/75/659888975.db2.gz SHDWXDYVYGDFBB-LBPRGKRZSA-N 0 1 384.807 2.661 20 0 GFADMN COCCOc1c(Cl)cc(S(=O)(=O)Nc2ncc(C)cn2)cc1Cl ZINC000808550950 659897901 /nfs/dbraw/zinc/89/79/01/659897901.db2.gz PCTALEBOWXZJFZ-UHFFFAOYSA-N 0 1 392.264 2.918 20 0 GFADMN CCN(CC)CCS(=O)(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000810050590 659957775 /nfs/dbraw/zinc/95/77/75/659957775.db2.gz IHBMNDYHTUWCPW-GOSISDBHSA-N 0 1 388.961 2.757 20 0 GFADMN CC[C@@](C)(CC(=O)OC)NCc1cn(-c2ccccc2Br)nn1 ZINC000810147775 659964794 /nfs/dbraw/zinc/96/47/94/659964794.db2.gz RRTGOWMCBFWDHA-INIZCTEOSA-N 0 1 381.274 2.851 20 0 GFADMN CN(C)c1cc(NS(=O)(=O)/C=C/c2ccccc2Br)ncn1 ZINC000811829001 660016119 /nfs/dbraw/zinc/01/61/19/660016119.db2.gz OWZGFMHHNLLDAX-BQYQJAHWSA-N 0 1 383.271 2.718 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000813624129 660058212 /nfs/dbraw/zinc/05/82/12/660058212.db2.gz UXPKVJBYGFVSES-SECBINFHSA-N 0 1 395.453 2.788 20 0 GFADMN COC(=O)[C@H]1CCN(C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000815021171 660102733 /nfs/dbraw/zinc/10/27/33/660102733.db2.gz LYFNBHKVRNFVFK-BONVTDFDSA-N 0 1 376.678 2.805 20 0 GFADMN C[C@@](O)(CN1CCC[C@@H](OCCO)C1)c1ccc(Br)cc1Cl ZINC000815048844 660107136 /nfs/dbraw/zinc/10/71/36/660107136.db2.gz QCIRAGZLPLAELY-CZUORRHYSA-N 0 1 392.721 2.783 20 0 GFADMN COC1(CO)CCN(C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000815102363 660112265 /nfs/dbraw/zinc/11/22/65/660112265.db2.gz HKEDVOSPASFFRZ-OAHLLOKOSA-N 0 1 392.721 2.783 20 0 GFADMN CCOC(=O)[C@H](CC(=O)Nc1cc(Cl)cc(Br)c1O)C(C)=O ZINC000816943746 660173747 /nfs/dbraw/zinc/17/37/47/660173747.db2.gz IWKZQKFKGGLYIO-SECBINFHSA-N 0 1 392.633 2.905 20 0 GFADMN O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)C1(C(F)(F)F)CCCC1 ZINC000842131814 661324719 /nfs/dbraw/zinc/32/47/19/661324719.db2.gz IUPROQIGOSTVSD-UHFFFAOYSA-N 0 1 376.356 2.674 20 0 GFADMN O=C(CCNCc1cc(Br)cnc1Cl)NCc1cccnc1 ZINC000842674179 661348410 /nfs/dbraw/zinc/34/84/10/661348410.db2.gz KHTRYHKLFDEXIF-UHFFFAOYSA-N 0 1 383.677 2.689 20 0 GFADMN CC(C)N1CCO[C@H](COC(=O)c2c3ccc(Br)cc3nn2C)C1 ZINC000842756163 661352853 /nfs/dbraw/zinc/35/28/53/661352853.db2.gz IXGQSSLMSDCXEU-ZDUSSCGKSA-N 0 1 396.285 2.602 20 0 GFADMN CC(=O)N[C@H](Cc1nc([C@H](N)C(C)C)no1)c1ccc(Br)cc1 ZINC000843154573 661371081 /nfs/dbraw/zinc/37/10/81/661371081.db2.gz YVDHTUAVSVOIDI-UKRRQHHQSA-N 0 1 381.274 2.908 20 0 GFADMN O=C(CSc1n[nH]c(=S)s1)NCC[C@@H]1CSc2ccccc2O1 ZINC000843963760 661398965 /nfs/dbraw/zinc/39/89/65/661398965.db2.gz UTYSQEXZDDSDMD-SECBINFHSA-N 0 1 385.561 2.979 20 0 GFADMN CC(C)(C)OC(=O)C1(C)CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000844044912 661401798 /nfs/dbraw/zinc/40/17/98/661401798.db2.gz OHEMJVYZLZVNHW-UHFFFAOYSA-N 0 1 389.568 2.889 20 0 GFADMN CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844898492 661447810 /nfs/dbraw/zinc/44/78/10/661447810.db2.gz JMYKRWRFEWGHQN-UHFFFAOYSA-N 0 1 397.324 2.948 20 0 GFADMN CCCOc1c(Br)cc(CNCC(=O)N(C)OCC)cc1OC ZINC000846064844 661529100 /nfs/dbraw/zinc/52/91/00/661529100.db2.gz NRUUYYPEEUWBCU-UHFFFAOYSA-N 0 1 389.290 2.746 20 0 GFADMN O=C([O-])[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000846274775 661542087 /nfs/dbraw/zinc/54/20/87/661542087.db2.gz AKGPINPOMIVGGT-IRXDYDNUSA-N 0 1 376.250 2.994 20 0 GFADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846592527 661558986 /nfs/dbraw/zinc/55/89/86/661558986.db2.gz KNBXVDRZIVZIFU-GXTWGEPZSA-N 0 1 389.327 2.573 20 0 GFADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000847554965 661597502 /nfs/dbraw/zinc/59/75/02/661597502.db2.gz YKCJGEODQZTYIV-BMIGLBTASA-N 0 1 375.778 2.808 20 0 GFADMN CN(CCCN1CCCC1)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000848032258 661621958 /nfs/dbraw/zinc/62/19/58/661621958.db2.gz FNBAXSNBTLCRGZ-UHFFFAOYSA-N 0 1 378.416 2.538 20 0 GFADMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1nc(Br)sc1C1CC1 ZINC000848274472 661637857 /nfs/dbraw/zinc/63/78/57/661637857.db2.gz ZZRMLQNFTBVDSY-QMMMGPOBSA-N 0 1 398.286 2.683 20 0 GFADMN CCOCCN1CCN(Cn2cc(-c3ccc(Br)cc3)cn2)CC1 ZINC000848478575 661653272 /nfs/dbraw/zinc/65/32/72/661653272.db2.gz OUUQKUZKVCSBQZ-UHFFFAOYSA-N 0 1 393.329 2.924 20 0 GFADMN CCc1nc([C@@H](C)OC(=O)C=Cc2ccc(I)o2)n[nH]1 ZINC000849630317 661735770 /nfs/dbraw/zinc/73/57/70/661735770.db2.gz WXPXPVNGLCBVLU-GRKOMRHMSA-N 0 1 387.177 2.882 20 0 GFADMN CCc1nc([C@H](C)OC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)n[nH]1 ZINC000849676991 661738988 /nfs/dbraw/zinc/73/89/88/661738988.db2.gz NTTYNSYLUKUFMG-QMMMGPOBSA-N 0 1 377.344 2.579 20 0 GFADMN CCc1nc([C@H](C)OC(=O)c2cc(Br)cc(C(=O)OC)c2)n[nH]1 ZINC000849780203 661745543 /nfs/dbraw/zinc/74/55/43/661745543.db2.gz PZVSHHJGNMQXTR-QMMMGPOBSA-N 0 1 382.214 2.834 20 0 GFADMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1C(C)(C)C1(F)F ZINC000850394613 661774675 /nfs/dbraw/zinc/77/46/75/661774675.db2.gz WLUHJJZCEDJHOK-CMPLNLGQSA-N 0 1 381.876 2.585 20 0 GFADMN CN1CCO[C@H]([C@H](NCC[S@](=O)CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000850497426 661779550 /nfs/dbraw/zinc/77/95/50/661779550.db2.gz USKVPFKNJVIUDH-AYNSBQOLSA-N 0 1 398.878 2.612 20 0 GFADMN CC1(C)OC[C@H](CCN(CCO)Cc2cc(Br)ccc2F)O1 ZINC000851751839 661830388 /nfs/dbraw/zinc/83/03/88/661830388.db2.gz WYDDOIPOQFAQNW-AWEZNQCLSA-N 0 1 376.266 2.924 20 0 GFADMN O=C(NC[C@@H]1CCCN(Cc2ncsc2Br)C1)C(F)(F)F ZINC000852059962 661850994 /nfs/dbraw/zinc/85/09/94/661850994.db2.gz AFBRRYGDYXQSHK-QMMMGPOBSA-N 0 1 386.237 2.796 20 0 GFADMN CC(C)(C)OC(=O)NC[C@](C)(O)CN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852678385 661870982 /nfs/dbraw/zinc/87/09/82/661870982.db2.gz CQVZHEJMELVGRH-SUMWQHHRSA-N 0 1 393.311 2.892 20 0 GFADMN CCO[C@H]1C[C@@](N)(C(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1(C)C ZINC000852844938 661875769 /nfs/dbraw/zinc/87/57/69/661875769.db2.gz OMXDGDSHXAPLQA-MGPLVRAMSA-N 0 1 383.905 2.668 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853218913 661885277 /nfs/dbraw/zinc/88/52/77/661885277.db2.gz DUDPQFYXLGTSOH-NEPJUHHUSA-N 0 1 383.495 2.773 20 0 GFADMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853218918 661885347 /nfs/dbraw/zinc/88/53/47/661885347.db2.gz DUDPQFYXLGTSOH-RYUDHWBXSA-N 0 1 383.495 2.773 20 0 GFADMN COc1ncc(Br)cc1CONC(=N)[C@@H]1COc2ccccc2O1 ZINC000853676677 661896878 /nfs/dbraw/zinc/89/68/78/661896878.db2.gz FUPMZFHKWHMUQW-AWEZNQCLSA-N 0 1 394.225 2.691 20 0 GFADMN O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@H](N2CCOCC2)CC1 ZINC000854220941 661919398 /nfs/dbraw/zinc/91/93/98/661919398.db2.gz CLYSQDQBEBOYJC-CABCVRRESA-N 0 1 378.344 2.857 20 0 GFADMN O=C(NCCC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000854220943 661919426 /nfs/dbraw/zinc/91/94/26/661919426.db2.gz CLYSQDQBEBOYJC-HUUCEWRRSA-N 0 1 378.344 2.857 20 0 GFADMN C[C@H](OC(=O)[C@H]1CC1(Cl)Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000854289051 661922096 /nfs/dbraw/zinc/92/20/96/661922096.db2.gz IOHSNKQDUHMNKE-NWANDNLSSA-N 0 1 385.291 2.503 20 0 GFADMN O=C(c1cc(Br)[nH]n1)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000854908223 661960555 /nfs/dbraw/zinc/96/05/55/661960555.db2.gz VERCAQSOVQXHQZ-JTQLQIEISA-N 0 1 396.207 2.993 20 0 GFADMN CC(C)(C)c1nc(CNC(=O)c2ccc(C(F)(F)Br)nc2)n[nH]1 ZINC000854909455 661960602 /nfs/dbraw/zinc/96/06/02/661960602.db2.gz ATPNPIUTKHJGSF-UHFFFAOYSA-N 0 1 388.216 2.871 20 0 GFADMN CC(C)(CO)[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1cccs1 ZINC000855111779 661971083 /nfs/dbraw/zinc/97/10/83/661971083.db2.gz RHTFVFFIYZVIRF-JTQLQIEISA-N 0 1 375.566 2.856 20 0 GFADMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2Br)[C@@H]2CCCC[C@H]12 ZINC000855642651 662002510 /nfs/dbraw/zinc/00/25/10/662002510.db2.gz JPMRZKKWUVSTQS-IJLUTSLNSA-N 0 1 384.274 2.675 20 0 GFADMN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cc(Br)cc2nc[nH]c21 ZINC000855781461 662007546 /nfs/dbraw/zinc/00/75/46/662007546.db2.gz DYZNQYDNYXGAGJ-RISCZKNCSA-N 0 1 386.196 2.870 20 0 GFADMN O=C([C@H]1CCCN1Cc1ccccc1)N1CCn2ncc(Br)c2C1 ZINC000856009359 662014620 /nfs/dbraw/zinc/01/46/20/662014620.db2.gz FCYFFBPBMQISSZ-MRXNPFEDSA-N 0 1 389.297 2.652 20 0 GFADMN CC1(C)OCC[C@H]1CNC(=O)c1cccc(I)c1O ZINC000856262158 662027145 /nfs/dbraw/zinc/02/71/45/662027145.db2.gz NHUGJIKLLYCHMV-VIFPVBQESA-N 0 1 375.206 2.542 20 0 GFADMN COc1cc(CN2CC[C@H](Nc3cnc(Br)cn3)C2)cc(OC)c1 ZINC000856736459 662040144 /nfs/dbraw/zinc/04/01/44/662040144.db2.gz IBHBZNRHDYIJKT-ZDUSSCGKSA-N 0 1 393.285 2.943 20 0 GFADMN COc1cc(CONC(=N)[C@H]2COc3ccccc3O2)c(Br)cn1 ZINC000857243519 662069416 /nfs/dbraw/zinc/06/94/16/662069416.db2.gz MUTMDJCJDOJMAQ-CQSZACIVSA-N 0 1 394.225 2.691 20 0 GFADMN CCOC(=O)c1c[nH]c(NC(=O)c2cnn(C(C)(C)C)c2Br)n1 ZINC000857243446 662069427 /nfs/dbraw/zinc/06/94/27/662069427.db2.gz JQAMIMYTXXYLTQ-UHFFFAOYSA-N 0 1 384.234 2.553 20 0 GFADMN CN(OCC(F)(F)F)C(=O)CNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000857242068 662069454 /nfs/dbraw/zinc/06/94/54/662069454.db2.gz OKQDKMNQLJLLSM-LLVKDONJSA-N 0 1 375.174 2.569 20 0 GFADMN O=C(NCCN[C@@H]1CCc2ccc(Cl)nc21)c1ccc(Br)cn1 ZINC000857914366 662094501 /nfs/dbraw/zinc/09/45/01/662094501.db2.gz KFGFWXHAWFZGRQ-GFCCVEGCSA-N 0 1 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552407873 /nfs/dbraw/zinc/40/78/73/552407873.db2.gz ISSHMIAZKNGFMM-KGLIPLIRSA-N 0 1 398.345 2.997 20 0 GFADMN C[C@](O)(CCN[C@@H](C(N)=O)c1cccc(Br)c1)c1ccccc1 ZINC000187669545 552421502 /nfs/dbraw/zinc/42/15/02/552421502.db2.gz ODCUKKVQPPGJRD-AEFFLSMTSA-N 0 1 377.282 2.863 20 0 GFADMN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccsc2Cl)N(C)C)c1 ZINC000187775549 552423841 /nfs/dbraw/zinc/42/38/41/552423841.db2.gz PTYQRTJOWIGHAO-CQSZACIVSA-N 0 1 381.885 2.768 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)n[nH]1 ZINC000187921241 552427861 /nfs/dbraw/zinc/42/78/61/552427861.db2.gz JJQREZAEKUEMBG-VIFPVBQESA-N 0 1 397.248 2.614 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2O)CC[N@H+]1C ZINC000188042277 552432205 /nfs/dbraw/zinc/43/22/05/552432205.db2.gz KTUZVQUXJZGKMM-CMPLNLGQSA-N 0 1 388.249 2.552 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)c2cc(I)ccc2[O-])CC[N@@H+]1C ZINC000188042277 552432207 /nfs/dbraw/zinc/43/22/07/552432207.db2.gz KTUZVQUXJZGKMM-CMPLNLGQSA-N 0 1 388.249 2.552 20 0 GFADMN C[C@H](NCC(=O)N1CCOCC1)c1ccc(Br)cc1C(F)(F)F ZINC000188337232 552442938 /nfs/dbraw/zinc/44/29/38/552442938.db2.gz RODWTBDWNZSKML-JTQLQIEISA-N 0 1 395.219 2.977 20 0 GFADMN C[C@@H]1CN(C(=O)CCc2ccccc2Br)CCN1CC(C)(C)O ZINC000188665644 552451293 /nfs/dbraw/zinc/45/12/93/552451293.db2.gz KAJMXAFPGMOCMY-CQSZACIVSA-N 0 1 383.330 2.685 20 0 GFADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CCN1CC(C)(C)O ZINC000188673481 552451649 /nfs/dbraw/zinc/45/16/49/552451649.db2.gz HTBHNODFOJSTSV-KBRIMQKVSA-N 0 1 395.341 2.856 20 0 GFADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(Br)cc1N1CCOCC1 ZINC000188712793 552453275 /nfs/dbraw/zinc/45/32/75/552453275.db2.gz YCMIQTQNIFCELX-UONOGXRCSA-N 0 1 398.345 2.679 20 0 GFADMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN2CCC1CC2 ZINC000188856406 552457038 /nfs/dbraw/zinc/45/70/38/552457038.db2.gz IBWFOLUBHTVMTK-UHFFFAOYSA-N 0 1 378.885 2.789 20 0 GFADMN COc1nc(C)c(Br)cc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000189066738 552462125 /nfs/dbraw/zinc/46/21/25/552462125.db2.gz 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O=S1(=O)NC(CN(CCC(F)(F)F)CC(F)(F)F)=Nc2ccccc21 ZINC000447830891 563887653 /nfs/dbraw/zinc/88/76/53/563887653.db2.gz JPQUDVQGYXNDQG-UHFFFAOYSA-N 0 1 389.321 2.825 20 0 GFADMN C[C@@H](NC(=O)N1CCN[C@@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000417883056 563890910 /nfs/dbraw/zinc/89/09/10/563890910.db2.gz FCWQEZYNYMWBIW-WDEREUQCSA-N 0 1 394.273 2.563 20 0 GFADMN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc(F)ccc1Br ZINC000447936048 563891236 /nfs/dbraw/zinc/89/12/36/563891236.db2.gz LVVDBKBPUNHAHA-CQSZACIVSA-N 0 1 393.322 2.987 20 0 GFADMN Cn1c(Cl)cnc1CN1CCCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000369281171 563891353 /nfs/dbraw/zinc/89/13/53/563891353.db2.gz BCXQNZDAELDVQY-MRXNPFEDSA-N 0 1 383.323 2.968 20 0 GFADMN C[C@@H]1CN(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)CCN1 ZINC000417958619 563892720 /nfs/dbraw/zinc/89/27/20/563892720.db2.gz LADAWJQTGPKECZ-SNVBAGLBSA-N 0 1 380.798 2.526 20 0 GFADMN O=S1(=O)CCCN1CCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000448097663 563893843 /nfs/dbraw/zinc/89/38/43/563893843.db2.gz 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COCCCS(=O)(=O)NCCN1CCCCC[C@H]1/C=C/c1cccs1 ZINC000564047511 564217529 /nfs/dbraw/zinc/21/75/29/564217529.db2.gz NPOCQVAPEDZEMO-FVNWOWOISA-N 0 1 386.583 2.962 20 0 GFADMN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cccc(Br)c1O ZINC000564099440 564219999 /nfs/dbraw/zinc/21/99/99/564219999.db2.gz KDVFGWKUSBQAEP-JTQLQIEISA-N 0 1 399.672 2.784 20 0 GFADMN O=c1[nH]cc(Br)cc1Cc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1 ZINC000564126726 564220712 /nfs/dbraw/zinc/22/07/12/564220712.db2.gz XQHSCWMGSXTMKP-UHFFFAOYSA-N 0 1 399.208 2.976 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000507284323 564225169 /nfs/dbraw/zinc/22/51/69/564225169.db2.gz WNHIRUNKIJJZLQ-CHWSQXEVSA-N 0 1 388.555 2.570 20 0 GFADMN COC[C@@H](NCCNS(=O)(=O)c1ccc(C)s1)c1cccc(Cl)c1 ZINC000564420337 564233435 /nfs/dbraw/zinc/23/34/35/564233435.db2.gz RXQOMZKBZMNIAB-OAHLLOKOSA-N 0 1 388.942 2.966 20 0 GFADMN COc1nc(N2CCN(C[C@H]3CCC(F)(F)C3)CC2)ncc1Br ZINC000450476144 564234614 /nfs/dbraw/zinc/23/46/14/564234614.db2.gz 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564254175 /nfs/dbraw/zinc/25/41/75/564254175.db2.gz IIOFMMCPKJYWIW-QWRGUYRKSA-N 0 1 388.251 2.701 20 0 GFADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000450973838 564258263 /nfs/dbraw/zinc/25/82/63/564258263.db2.gz YYEFRPGVZAYRFE-RRQGHBQHSA-N 0 1 395.341 2.856 20 0 GFADMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000473975726 564260513 /nfs/dbraw/zinc/26/05/13/564260513.db2.gz GCKGJGOJGQHNPM-HIFRSBDPSA-N 0 1 399.333 2.561 20 0 GFADMN CN(CCN(C)S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000509298843 564291970 /nfs/dbraw/zinc/29/19/70/564291970.db2.gz SWFQXKNGHGZQIK-UHFFFAOYSA-N 0 1 381.723 2.817 20 0 GFADMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000565060392 564264827 /nfs/dbraw/zinc/26/48/27/564264827.db2.gz ATWMSEWUEASPIJ-ZYHUDNBSSA-N 0 1 386.539 2.505 20 0 GFADMN C[C@@](CO)(NCc1ccc(I)cc1)c1cccc(O)c1 ZINC000451032088 564265245 /nfs/dbraw/zinc/26/52/45/564265245.db2.gz OHOLTVXVZZDRAT-INIZCTEOSA-N 0 1 383.229 2.994 20 0 GFADMN COCCOC[C@@H](O)CN1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000451039260 564266088 /nfs/dbraw/zinc/26/60/88/564266088.db2.gz PAEPWQCRTJZEPX-ZDUSSCGKSA-N 0 1 382.913 2.846 20 0 GFADMN C[C@@](CO)(NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccc(O)c1 ZINC000451042545 564267239 /nfs/dbraw/zinc/26/72/39/564267239.db2.gz VYHGKZPJDGEOGL-QAPCUYQASA-N 0 1 386.275 2.936 20 0 GFADMN C[C@H](CO)N1CCCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000451088567 564271931 /nfs/dbraw/zinc/27/19/31/564271931.db2.gz QHFILRQHWVVPNU-CYBMUJFWSA-N 0 1 392.297 2.526 20 0 GFADMN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541288441 564272202 /nfs/dbraw/zinc/27/22/02/564272202.db2.gz PHWOUQBJOWORRT-UHFFFAOYSA-N 0 1 391.417 2.535 20 0 GFADMN COc1ccc(Br)cc1CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000541282094 564272224 /nfs/dbraw/zinc/27/22/24/564272224.db2.gz IXJHSYSNXPJCLI-OAHLLOKOSA-N 0 1 381.245 2.783 20 0 GFADMN CN(C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ncc1Br ZINC000451093643 564273022 /nfs/dbraw/zinc/27/30/22/564273022.db2.gz 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ZINC000565757774 564295135 /nfs/dbraw/zinc/29/51/35/564295135.db2.gz LSANRTOTTZIMGA-UHFFFAOYSA-N 0 1 380.214 2.848 20 0 GFADMN CC(C)(NC(=O)CCCCOc1ccc(Br)cc1)c1nn[nH]n1 ZINC000475007572 564297210 /nfs/dbraw/zinc/29/72/10/564297210.db2.gz IIDAWDNCAGAHGI-UHFFFAOYSA-N 0 1 382.262 2.563 20 0 GFADMN CCN(C)C(=O)[C@@H](NCC(=O)Nc1ccc(Br)cc1F)C(C)C ZINC000451313580 564299152 /nfs/dbraw/zinc/29/91/52/564299152.db2.gz NMFPTBFNGDXFQK-HNNXBMFYSA-N 0 1 388.281 2.619 20 0 GFADMN C[C@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)[C@@H](C)CN1C ZINC000509460658 564300627 /nfs/dbraw/zinc/30/06/27/564300627.db2.gz AVOGMQVDFCHDCY-STQMWFEESA-N 0 1 379.302 2.947 20 0 GFADMN CC(C)N1C(=O)C[C@H](N[C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542160534 564303123 /nfs/dbraw/zinc/30/31/23/564303123.db2.gz PUXWFJQYCQUFRZ-PJQXDXOGSA-N 0 1 390.908 2.552 20 0 GFADMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cn1C ZINC000509577902 564304789 /nfs/dbraw/zinc/30/47/89/564304789.db2.gz OXPVYKCTBPDRGM-UHFFFAOYSA-N 0 1 392.264 2.501 20 0 GFADMN CN(Cc1ccc(Br)c(F)c1)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000565995712 564305317 /nfs/dbraw/zinc/30/53/17/564305317.db2.gz KKDVWUZYVWMVHK-UHFFFAOYSA-N 0 1 382.237 2.925 20 0 GFADMN CCOC(=O)c1c(C)[nH]nc1CSc1nnc2ccc(Br)cn21 ZINC000566021145 564306489 /nfs/dbraw/zinc/30/64/89/564306489.db2.gz OCYOUKCOVDZNMG-UHFFFAOYSA-N 0 1 396.270 2.992 20 0 GFADMN CC(C)[C@H](NCc1ccsc1Cl)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000475354401 564306782 /nfs/dbraw/zinc/30/67/82/564306782.db2.gz YXRYGKYAHASUJM-HNNXBMFYSA-N 0 1 381.933 2.712 20 0 GFADMN COC(=O)[C@H](NS(=O)(=O)c1ccc(OCC(F)F)cc1)c1cccs1 ZINC000542256637 564307493 /nfs/dbraw/zinc/30/74/93/564307493.db2.gz VNYOUJTVLVAARW-CQSZACIVSA-N 0 1 391.417 2.585 20 0 GFADMN COc1cc(NC(=O)N2CC[C@H](c3nc[nH]n3)C2)cc(OC)c1Br ZINC000566144624 564312959 /nfs/dbraw/zinc/31/29/59/564312959.db2.gz RKYALDHDFPCTRF-VIFPVBQESA-N 0 1 396.245 2.606 20 0 GFADMN CO[C@@H](CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(F)(F)F ZINC000451449302 564314284 /nfs/dbraw/zinc/31/42/84/564314284.db2.gz 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564336298 /nfs/dbraw/zinc/33/62/98/564336298.db2.gz YJYYOUGBYDWIKF-ZDUSSCGKSA-N 0 1 394.273 2.724 20 0 GFADMN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000510538488 564337716 /nfs/dbraw/zinc/33/77/16/564337716.db2.gz MWRAEJSGDPVMEN-STQMWFEESA-N 0 1 378.416 2.833 20 0 GFADMN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510558220 564338222 /nfs/dbraw/zinc/33/82/22/564338222.db2.gz IVIXVYVOKUJFRW-NWDGAFQWSA-N 0 1 391.306 2.836 20 0 GFADMN O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000451681006 564339448 /nfs/dbraw/zinc/33/94/48/564339448.db2.gz VNRIJOZQSNFFDX-UHFFFAOYSA-N 0 1 380.779 2.833 20 0 GFADMN COCC[C@H](NS(=O)(=O)c1nc(C)c(Br)s1)C(C)(C)C ZINC000510568631 564339567 /nfs/dbraw/zinc/33/95/67/564339567.db2.gz GRGWRKARPFUMPG-VIFPVBQESA-N 0 1 385.349 2.944 20 0 GFADMN COC(=O)C[C@@H]1CSCCN1C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000476571597 564346080 /nfs/dbraw/zinc/34/60/80/564346080.db2.gz KJVUJBPMCASZRK-KBRIMQKVSA-N 0 1 387.929 2.759 20 0 GFADMN Cn1[n-]c(C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)nc1=O ZINC000543444319 564351627 /nfs/dbraw/zinc/35/16/27/564351627.db2.gz VQYQLMGJSZAUHX-UHFFFAOYSA-N 0 1 379.302 2.906 20 0 GFADMN C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476854664 564355899 /nfs/dbraw/zinc/35/58/99/564355899.db2.gz KCIFTGOXHYCSQC-ZFWWWQNUSA-N 0 1 386.323 2.657 20 0 GFADMN Cc1c(Br)cccc1CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511126523 564358922 /nfs/dbraw/zinc/35/89/22/564358922.db2.gz QTGKXVZLHDVVQU-CQSZACIVSA-N 0 1 389.359 2.861 20 0 GFADMN CC(=O)c1cc(Br)ccc1OCC(=O)N(C)CCN1CCCC1 ZINC000511158651 564360581 /nfs/dbraw/zinc/36/05/81/564360581.db2.gz NKYFCBMXXLSCSX-UHFFFAOYSA-N 0 1 383.286 2.585 20 0 GFADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000567173059 564361436 /nfs/dbraw/zinc/36/14/36/564361436.db2.gz LJNDVGPPFZGBBN-RYUDHWBXSA-N 0 1 380.293 2.625 20 0 GFADMN OC[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000543810155 564364726 /nfs/dbraw/zinc/36/47/26/564364726.db2.gz MIIMWVJEVQIBLC-WBVHZDCISA-N 0 1 384.245 2.651 20 0 GFADMN CCN(Cc1cn(C)nn1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000543831723 564365718 /nfs/dbraw/zinc/36/57/18/564365718.db2.gz BKMOATVUQGSKBS-UHFFFAOYSA-N 0 1 389.257 2.630 20 0 GFADMN O=S1(=O)CCCN1C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000567331374 564367189 /nfs/dbraw/zinc/36/71/89/564367189.db2.gz DWUWOCPNHDADTE-UHFFFAOYSA-N 0 1 379.913 2.888 20 0 GFADMN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000511414962 564371673 /nfs/dbraw/zinc/37/16/73/564371673.db2.gz YQJJYIQTUMVDAU-CHWSQXEVSA-N 0 1 381.828 2.693 20 0 GFADMN CCc1nc([C@H](C)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)n[nH]1 ZINC000477296577 564372335 /nfs/dbraw/zinc/37/23/35/564372335.db2.gz HVJDVZOIUHCOLD-QMMMGPOBSA-N 0 1 390.241 2.874 20 0 GFADMN CCN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C)C1 ZINC000511608435 564377330 /nfs/dbraw/zinc/37/73/30/564377330.db2.gz CPTSXBKAAWUGEV-ZDUSSCGKSA-N 0 1 379.302 2.949 20 0 GFADMN CC(C)(C)c1nc(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000567594401 564378467 /nfs/dbraw/zinc/37/84/67/564378467.db2.gz UCXHKKRKWSECSX-UHFFFAOYSA-N 0 1 376.404 2.741 20 0 GFADMN C[C@]1(CCC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC(=O)N1 ZINC000544335392 564381739 /nfs/dbraw/zinc/38/17/39/564381739.db2.gz UMWJMRDUXBCISS-INIZCTEOSA-N 0 1 392.257 2.622 20 0 GFADMN C[C@H](c1ccccc1Br)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000452093152 564390993 /nfs/dbraw/zinc/39/09/93/564390993.db2.gz IMBSTMREGZAQNM-RDTXWAMCSA-N 0 1 381.314 2.959 20 0 GFADMN CCc1cc(Br)ccc1NC(=O)N1CCN([C@H](CC)CO)CC1 ZINC000477953817 564391587 /nfs/dbraw/zinc/39/15/87/564391587.db2.gz DBYJHWICIRORDX-OAHLLOKOSA-N 0 1 384.318 2.932 20 0 GFADMN C[C@@H](c1cccc(Br)c1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000452101807 564393075 /nfs/dbraw/zinc/39/30/75/564393075.db2.gz SZJMINRVEXZXPA-KSSFIOAISA-N 0 1 381.314 2.959 20 0 GFADMN Cc1c[nH]cc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c1=O ZINC000512333822 564398006 /nfs/dbraw/zinc/39/80/06/564398006.db2.gz XNYQEFWYPTXPKL-UHFFFAOYSA-N 0 1 392.297 2.650 20 0 GFADMN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2S(C)(=O)=O)cc1C ZINC000568026878 564401480 /nfs/dbraw/zinc/40/14/80/564401480.db2.gz ZJHONZMREBKAEC-UHFFFAOYSA-N 0 1 383.491 2.906 20 0 GFADMN CC(C)c1nc(CNC(=O)c2csc(I)c2)n[nH]1 ZINC000452417277 564415506 /nfs/dbraw/zinc/41/55/06/564415506.db2.gz ITMFJMWHBVDJQF-UHFFFAOYSA-N 0 1 376.223 2.524 20 0 GFADMN CCCn1ncnc1C[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000568072639 564403546 /nfs/dbraw/zinc/40/35/46/564403546.db2.gz JFXFWIAEHXVPME-LSDHHAIUSA-N 0 1 393.285 2.751 20 0 GFADMN CCC[C@@H]1CNCCN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000568086413 564404177 /nfs/dbraw/zinc/40/41/77/564404177.db2.gz UMTIXVOODGSDDP-MRXNPFEDSA-N 0 1 377.286 2.849 20 0 GFADMN COC(=O)c1nc[nH]c1NC(=O)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000568174379 564406936 /nfs/dbraw/zinc/40/69/36/564406936.db2.gz XBJDTMUOGZLIGN-PXAZEXFGSA-N 0 1 390.237 2.801 20 0 GFADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000478587194 564409264 /nfs/dbraw/zinc/40/92/64/564409264.db2.gz YROXKSYWQAXCID-SMDDNHRTSA-N 0 1 396.289 2.628 20 0 GFADMN Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2cc(Cl)cnc2N)cn1 ZINC000478693913 564412091 /nfs/dbraw/zinc/41/20/91/564412091.db2.gz KEYDYEKMFCLTTK-UHFFFAOYSA-N 0 1 381.820 2.658 20 0 GFADMN CN(CC(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000452533034 564418804 /nfs/dbraw/zinc/41/88/04/564418804.db2.gz LMPPJUBCBKQNKU-LSDHHAIUSA-N 0 1 376.444 2.682 20 0 GFADMN Cc1nc([C@@H](C)NC(=O)Nc2cccc(F)c2I)n[nH]1 ZINC000479086345 564425055 /nfs/dbraw/zinc/42/50/55/564425055.db2.gz QDMWGGQXIXMQSW-ZCFIWIBFSA-N 0 1 389.172 2.740 20 0 GFADMN Cc1cc([C@H]2CCCN(C(=O)c3cc(CS(C)(=O)=O)c(C)s3)C2)n[nH]1 ZINC000513251571 564426132 /nfs/dbraw/zinc/42/61/32/564426132.db2.gz RQJKRUWRFGOMQS-ZDUSSCGKSA-N 0 1 381.523 2.652 20 0 GFADMN O=C1N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1n[nH]c(C2CC2)n1 ZINC000568611373 564427264 /nfs/dbraw/zinc/42/72/64/564427264.db2.gz QZBIZIWOXKWVGR-LBPRGKRZSA-N 0 1 380.235 2.652 20 0 GFADMN CCOC(=O)COc1c(Br)cc(C)cc1CN(C)C1CC(O)C1 ZINC000545549277 564427499 /nfs/dbraw/zinc/42/74/99/564427499.db2.gz HPVYVQNYVMJRNI-UHFFFAOYSA-N 0 1 386.286 2.655 20 0 GFADMN COC[C@@](C)(NS(=O)(=O)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000479168664 564429414 /nfs/dbraw/zinc/42/94/14/564429414.db2.gz RXWXTPMNBKYLOY-SNVBAGLBSA-N 0 1 394.184 2.834 20 0 GFADMN CC[C@H](C(=O)NCc1nn(C)cc1Br)N(C)Cc1ccccc1 ZINC000452769058 564430998 /nfs/dbraw/zinc/43/09/98/564430998.db2.gz WUNALVNIJBCJPR-MRXNPFEDSA-N 0 1 379.302 2.709 20 0 GFADMN CN(CC(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000545850097 564433148 /nfs/dbraw/zinc/43/31/48/564433148.db2.gz IGRGWMPVQWCLIM-MAUKXSAKSA-N 0 1 378.929 2.716 20 0 GFADMN COc1ccc(S(=O)(=O)N[C@@H](C)CN2CCCCC2)c(Br)c1 ZINC000479318129 564435364 /nfs/dbraw/zinc/43/53/64/564435364.db2.gz LAFLERULNHTKOR-LBPRGKRZSA-N 0 1 391.331 2.610 20 0 GFADMN C[C@H](c1ccccc1Br)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000513685336 564435639 /nfs/dbraw/zinc/43/56/39/564435639.db2.gz YUNIQLZGQCQGAS-OLZOCXBDSA-N 0 1 375.332 2.771 20 0 GFADMN CCN(CC)CCS(=O)(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000568816675 564436271 /nfs/dbraw/zinc/43/62/71/564436271.db2.gz NMYWSBYSJGBEEQ-GFCCVEGCSA-N 0 1 395.338 2.780 20 0 GFADMN O=C(Cc1ccc(Cl)s1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000513806302 564439608 /nfs/dbraw/zinc/43/96/08/564439608.db2.gz GXHSAWWDOARKLN-WBVHZDCISA-N 0 1 378.925 2.943 20 0 GFADMN C[C@@H](NC(=O)N=c1nc(Sc2ccccc2)[n-]s1)C1=CC[N@@H+](C)CC1 ZINC000568934658 564441407 /nfs/dbraw/zinc/44/14/07/564441407.db2.gz QSQHDZUMUWDUTK-GFCCVEGCSA-N 0 1 375.523 2.883 20 0 GFADMN O=C1NC2(CCCC2)C(=O)N1CCNCc1ccc(F)cc1Br ZINC000479592777 564444318 /nfs/dbraw/zinc/44/43/18/564444318.db2.gz NYNVHMULEBYGAY-UHFFFAOYSA-N 0 1 384.249 2.542 20 0 GFADMN O=c1[nH]cc(Br)cc1Cc1noc(-c2cccc(-c3nnc[nH]3)c2)n1 ZINC000546462585 564456323 /nfs/dbraw/zinc/45/63/23/564456323.db2.gz QOGMATLMLVCDAV-UHFFFAOYSA-N 0 1 399.208 2.976 20 0 GFADMN CC1=CCN(CCNC(=O)C(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000546571385 564459535 /nfs/dbraw/zinc/45/95/35/564459535.db2.gz NNJFDJQATFAQMD-UHFFFAOYSA-N 0 1 376.507 2.578 20 0 GFADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)n[nH]1 ZINC000453682451 564464863 /nfs/dbraw/zinc/46/48/63/564464863.db2.gz YLRLOPQKVRUHLM-QMMMGPOBSA-N 0 1 399.676 2.820 20 0 GFADMN Clc1ccc(-n2cc(CNCCN3C[C@H]4CC[C@@H](C3)O4)nn2)cc1Cl ZINC000515036291 564466836 /nfs/dbraw/zinc/46/68/36/564466836.db2.gz XYDDWZNCAHKPQH-GASCZTMLSA-N 0 1 382.295 2.527 20 0 GFADMN COc1ccc(Br)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000569569988 564469858 /nfs/dbraw/zinc/46/98/58/564469858.db2.gz AGJVVAMHJJSYSK-SECBINFHSA-N 0 1 382.214 2.566 20 0 GFADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000569612223 564471530 /nfs/dbraw/zinc/47/15/30/564471530.db2.gz SYXMBYHQJSWIEH-MFKMUULPSA-N 0 1 380.242 2.718 20 0 GFADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000569612223 564471533 /nfs/dbraw/zinc/47/15/33/564471533.db2.gz SYXMBYHQJSWIEH-MFKMUULPSA-N 0 1 380.242 2.718 20 0 GFADMN Cc1c(Br)cccc1CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000480600447 564478970 /nfs/dbraw/zinc/47/89/70/564478970.db2.gz JZCOANOQEDYIRK-UHFFFAOYSA-N 0 1 387.237 2.914 20 0 GFADMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000570035324 564488440 /nfs/dbraw/zinc/48/84/40/564488440.db2.gz QJYRPZOIOABWBG-DVOMOZLQSA-N 0 1 394.313 2.543 20 0 GFADMN COC(=O)c1csc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000480936076 564496377 /nfs/dbraw/zinc/49/63/77/564496377.db2.gz UZTIWCFIGCHZMH-LRDDRELGSA-N 0 1 382.507 2.504 20 0 GFADMN Cc1nn(C)c(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1Br ZINC000570274783 564498790 /nfs/dbraw/zinc/49/87/90/564498790.db2.gz WCTIFACBMOFPHD-YPMHNXCESA-N 0 1 396.289 2.761 20 0 GFADMN Cc1cc(F)c(Br)cc1S(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000481034205 564500680 /nfs/dbraw/zinc/50/06/80/564500680.db2.gz HRPFMLINOYXOBN-SNVBAGLBSA-N 0 1 379.295 2.658 20 0 GFADMN Cn1c(CNC(=O)c2cc(Br)cc3nc[nH]c32)nnc1C1CCC1 ZINC000570402903 564504678 /nfs/dbraw/zinc/50/46/78/564504678.db2.gz JLLQAMNXAXNUPD-UHFFFAOYSA-N 0 1 389.257 2.651 20 0 GFADMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000570579572 564512436 /nfs/dbraw/zinc/51/24/36/564512436.db2.gz HMVZRAPVKMPKCC-UHFFFAOYSA-N 0 1 392.767 2.924 20 0 GFADMN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)ccc1O ZINC000570597439 564513878 /nfs/dbraw/zinc/51/38/78/564513878.db2.gz VFFCBYRMVXZSPM-QWHCGFSZSA-N 0 1 380.853 2.696 20 0 GFADMN C[C@](N)(C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccc(Br)cc1 ZINC000570680255 564517344 /nfs/dbraw/zinc/51/73/44/564517344.db2.gz LEUPRTOIVHMJSR-HNAYVOBHSA-N 0 1 391.309 2.590 20 0 GFADMN CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481730549 564520257 /nfs/dbraw/zinc/52/02/57/564520257.db2.gz ANMQMLHKTCOHNK-LKFCYVNXSA-N 0 1 386.265 2.863 20 0 GFADMN CCOC(=O)[C@@H]1CSCCN1Cc1nc2ccc(Br)cc2[nH]1 ZINC000548156727 564533991 /nfs/dbraw/zinc/53/39/91/564533991.db2.gz BQSMVYXEHQMRCV-ZDUSSCGKSA-N 0 1 384.299 2.806 20 0 GFADMN Cc1nc(CNC(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)sc1Br ZINC000455201501 564542242 /nfs/dbraw/zinc/54/22/42/564542242.db2.gz ANMJLHXUDUHALI-JQWIXIFHSA-N 0 1 387.347 2.982 20 0 GFADMN COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000571358409 564547249 /nfs/dbraw/zinc/54/72/49/564547249.db2.gz ASRVLVNUEQERJP-LSDHHAIUSA-N 0 1 390.958 2.549 20 0 GFADMN CN(C)S(=O)(=O)c1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000571397313 564549262 /nfs/dbraw/zinc/54/92/62/564549262.db2.gz DHUIMZUBRIVKAC-QAPCUYQASA-N 0 1 380.535 2.866 20 0 GFADMN CCc1nc(C[S@](=O)Cc2cc(OC)c(OC)cc2Br)n[nH]1 ZINC000518304043 564550565 /nfs/dbraw/zinc/55/05/65/564550565.db2.gz ITGPTHYUOMOUFT-JOCHJYFZSA-N 0 1 388.287 2.596 20 0 GFADMN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000518446087 564554100 /nfs/dbraw/zinc/55/41/00/564554100.db2.gz BYDZRUIKTZVSFM-CYBMUJFWSA-N 0 1 388.555 2.714 20 0 GFADMN CN(CC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000518505250 564554895 /nfs/dbraw/zinc/55/48/95/564554895.db2.gz NGVJWABSMYXRCW-IUODEOHRSA-N 0 1 377.337 2.970 20 0 GFADMN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)CC(=O)NC(N)=O ZINC000483286151 564563101 /nfs/dbraw/zinc/56/31/01/564563101.db2.gz MMVBTBPGWIDQFR-UHFFFAOYSA-N 0 1 382.675 2.933 20 0 GFADMN O=C(c1cccc(Br)c1O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000548640564 564567975 /nfs/dbraw/zinc/56/79/75/564567975.db2.gz BHYKVRRNAHUYLN-UHFFFAOYSA-N 0 1 391.269 2.718 20 0 GFADMN Cc1ccsc1[C@H](CO)NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000548626341 564568298 /nfs/dbraw/zinc/56/82/98/564568298.db2.gz FHJOZTFKBRQMAU-ZDUSSCGKSA-N 0 1 394.294 2.650 20 0 GFADMN Cn1nnc2cc(CN(CCO)Cc3ccc(Br)s3)ccc21 ZINC000483493695 564569369 /nfs/dbraw/zinc/56/93/69/564569369.db2.gz XWOWAHGXMRUJPV-UHFFFAOYSA-N 0 1 381.299 2.787 20 0 GFADMN CC[C@H]1CN(C(=O)Nc2cc(Br)cnc2C)CCN1CCOC ZINC000455793759 564571219 /nfs/dbraw/zinc/57/12/19/564571219.db2.gz DZFHOZFGJYJJDQ-AWEZNQCLSA-N 0 1 385.306 2.727 20 0 GFADMN CC(C)(C)NS(=O)(=O)CCN[C@@H]1CCc2ccc(Br)cc21 ZINC000549039198 564584737 /nfs/dbraw/zinc/58/47/37/564584737.db2.gz FMSQMCXJDSPWQF-CQSZACIVSA-N 0 1 375.332 2.744 20 0 GFADMN CC1(C)CCC(NS(=O)(=O)c2c(Cl)ccc(F)c2F)(C(N)=O)CC1 ZINC000519654366 564586088 /nfs/dbraw/zinc/58/60/88/564586088.db2.gz CBVJBOAQZJNRNE-UHFFFAOYSA-N 0 1 380.844 2.721 20 0 GFADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1Cl ZINC000519854569 564593007 /nfs/dbraw/zinc/59/30/07/564593007.db2.gz YMVGFIYIVMUIFP-UHFFFAOYSA-N 0 1 381.797 2.509 20 0 GFADMN Cc1nnc(SCC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]1 ZINC000572435290 564593870 /nfs/dbraw/zinc/59/38/70/564593870.db2.gz LEDYUDWMUKRZCN-UHFFFAOYSA-N 0 1 388.280 2.657 20 0 GFADMN Cc1n[nH]c(SCC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000572435290 564593873 /nfs/dbraw/zinc/59/38/73/564593873.db2.gz LEDYUDWMUKRZCN-UHFFFAOYSA-N 0 1 388.280 2.657 20 0 GFADMN CC[C@H](OC)C(=O)Nc1cc(Br)ccc1N1CCN(C)C[C@@H]1C ZINC000456361215 564602242 /nfs/dbraw/zinc/60/22/42/564602242.db2.gz CLJVYTYIVBPJFM-LRDDRELGSA-N 0 1 384.318 2.953 20 0 GFADMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)C[C@H]1CCOC1 ZINC000456367109 564603594 /nfs/dbraw/zinc/60/35/94/564603594.db2.gz JIKVZOWQGPBFNK-ZIAGYGMSSA-N 0 1 396.329 2.955 20 0 GFADMN C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000520736983 564610985 /nfs/dbraw/zinc/61/09/85/564610985.db2.gz OHOXUDARXAJRBR-RYUDHWBXSA-N 0 1 385.302 2.772 20 0 GFADMN O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000572871786 564613624 /nfs/dbraw/zinc/61/36/24/564613624.db2.gz XBKRAOTYNKXGRX-LLVKDONJSA-N 0 1 398.692 2.962 20 0 GFADMN CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000572922633 564615774 /nfs/dbraw/zinc/61/57/74/564615774.db2.gz VOVWJQNWJMXRJT-OAHLLOKOSA-N 0 1 375.332 2.695 20 0 GFADMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000572922633 564615778 /nfs/dbraw/zinc/61/57/78/564615778.db2.gz VOVWJQNWJMXRJT-OAHLLOKOSA-N 0 1 375.332 2.695 20 0 GFADMN COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2S(C)(=O)=O)c(C)c1 ZINC000572931275 564616087 /nfs/dbraw/zinc/61/60/87/564616087.db2.gz BHKOXAUTFRIYTC-UHFFFAOYSA-N 0 1 383.491 2.825 20 0 GFADMN O=C(NCCN1CCC(O)CC1)c1cccn1-c1c(Cl)cccc1Cl ZINC000456584038 564619128 /nfs/dbraw/zinc/61/91/28/564619128.db2.gz OYNWPRPWTWSPLF-UHFFFAOYSA-N 0 1 382.291 2.971 20 0 GFADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456678116 564624026 /nfs/dbraw/zinc/62/40/26/564624026.db2.gz GOBGBUDEFBKWEE-KRTXAFLBSA-N 0 1 392.175 2.711 20 0 GFADMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000573151647 564625177 /nfs/dbraw/zinc/62/51/77/564625177.db2.gz MVJWGSNTCRKTGK-SNVBAGLBSA-N 0 1 381.723 2.865 20 0 GFADMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000521377007 564625734 /nfs/dbraw/zinc/62/57/34/564625734.db2.gz XWROZAXYUJVJLM-CYBMUJFWSA-N 0 1 380.432 2.780 20 0 GFADMN O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000521429339 564627659 /nfs/dbraw/zinc/62/76/59/564627659.db2.gz DWXFFRGURBYTCG-LLVKDONJSA-N 0 1 384.267 2.827 20 0 GFADMN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000573219388 564627977 /nfs/dbraw/zinc/62/79/77/564627977.db2.gz BAMHTWWZNULNMD-MEDUHNTESA-N 0 1 396.285 2.551 20 0 GFADMN CCN(CC)[C@H](CNC(=O)C(=O)NCc1ccc(C)s1)c1ccsc1 ZINC000550876473 564634586 /nfs/dbraw/zinc/63/45/86/564634586.db2.gz HRSUGBZHCMWTHT-MRXNPFEDSA-N 0 1 379.551 2.934 20 0 GFADMN O=C(N[C@@H]1CC[S@](=O)C1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000573422434 564637255 /nfs/dbraw/zinc/63/72/55/564637255.db2.gz HMQMHMBGYRNYEK-VNFRKBOCSA-N 0 1 380.901 2.974 20 0 GFADMN CCCc1nc(C)c(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)s1 ZINC000486112257 564639513 /nfs/dbraw/zinc/63/95/13/564639513.db2.gz YEZXQJKALHGLMK-UHFFFAOYSA-N 0 1 388.536 2.917 20 0 GFADMN CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000456919476 564639747 /nfs/dbraw/zinc/63/97/47/564639747.db2.gz LMJPIMJADOJKAW-JTQLQIEISA-N 0 1 381.889 2.667 20 0 GFADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)n[nH]1 ZINC000486210742 564643547 /nfs/dbraw/zinc/64/35/47/564643547.db2.gz CWZPDNNKRDUOAR-SNVBAGLBSA-N 0 1 394.273 2.562 20 0 GFADMN CC(=O)NCCCCCC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457033426 564644205 /nfs/dbraw/zinc/64/42/05/564644205.db2.gz KDISCLKFNPQFNX-UHFFFAOYSA-N 0 1 381.274 2.638 20 0 GFADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cscc1Br ZINC000551344470 564647314 /nfs/dbraw/zinc/64/73/14/564647314.db2.gz OVFRANBIBUFZFM-UHFFFAOYSA-N 0 1 396.310 2.852 20 0 GFADMN CCOC(=O)Cc1cnc(N(C)C(=O)c2cc(-c3cccs3)n[nH]2)s1 ZINC000457121530 564648643 /nfs/dbraw/zinc/64/86/43/564648643.db2.gz YKDQODWVGFODJQ-UHFFFAOYSA-N 0 1 376.463 2.977 20 0 GFADMN Cc1cnn(C)c1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000573707325 564650460 /nfs/dbraw/zinc/65/04/60/564650460.db2.gz WZJXUMBDWXESJR-UHFFFAOYSA-N 0 1 381.523 2.942 20 0 GFADMN CCc1[nH]nc(C(=O)N2CCc3c(cccc3C(=O)OC)C2)c1Br ZINC000457236547 564652467 /nfs/dbraw/zinc/65/24/67/564652467.db2.gz KOCCWMBBMBBSNQ-UHFFFAOYSA-N 0 1 392.253 2.720 20 0 GFADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc(Br)co1 ZINC000457393953 564659470 /nfs/dbraw/zinc/65/94/70/564659470.db2.gz SAVKHHCLGBJZQU-UHFFFAOYSA-N 0 1 392.297 2.590 20 0 GFADMN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000486668941 564661913 /nfs/dbraw/zinc/66/19/13/564661913.db2.gz CEWJBFCPFGKCJT-ZFWWWQNUSA-N 0 1 387.343 2.781 20 0 GFADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000574092410 564668353 /nfs/dbraw/zinc/66/83/53/564668353.db2.gz DKYJTLBCJDMKQM-WMLDXEAASA-N 0 1 386.286 2.622 20 0 GFADMN O=C([O-])c1cn([C@H]2CCC[N@@H+](CCOc3ccc(Cl)cc3Cl)C2)nn1 ZINC000574164379 564670527 /nfs/dbraw/zinc/67/05/27/564670527.db2.gz GWEIURXZQFVSJQ-LBPRGKRZSA-N 0 1 385.251 2.999 20 0 GFADMN CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000574456975 564674127 /nfs/dbraw/zinc/67/41/27/564674127.db2.gz GZWIHEKJVQCSST-RYUDHWBXSA-N 0 1 386.539 2.649 20 0 GFADMN CN(CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000574465257 564675601 /nfs/dbraw/zinc/67/56/01/564675601.db2.gz HZGPKTJJDVIOCB-SFHVURJKSA-N 0 1 378.563 2.869 20 0 GFADMN CCCn1c(=O)[nH]nc1SCC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000524240323 564679123 /nfs/dbraw/zinc/67/91/23/564679123.db2.gz JCHDPBHFPGGOBJ-UHFFFAOYSA-N 0 1 384.483 2.671 20 0 GFADMN Cc1noc(C)c1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000457990848 564682507 /nfs/dbraw/zinc/68/25/07/564682507.db2.gz YZUKNVPTICDBRU-UHFFFAOYSA-N 0 1 378.230 2.930 20 0 GFADMN COc1cc(OC)cc(N2CC[C@@H](NCc3c(Br)cnn3C)C2)c1 ZINC000487317290 564682686 /nfs/dbraw/zinc/68/26/86/564682686.db2.gz JGSREYWXMAFLTR-GFCCVEGCSA-N 0 1 395.301 2.568 20 0 GFADMN CCN(CC)CCS(=O)(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000574679134 564684296 /nfs/dbraw/zinc/68/42/96/564684296.db2.gz ICORNAKTWMXRIB-UHFFFAOYSA-N 0 1 388.961 2.649 20 0 GFADMN COc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)c(I)c1 ZINC000487642916 564693046 /nfs/dbraw/zinc/69/30/46/564693046.db2.gz UAKJOAUIOHAACE-UHFFFAOYSA-N 0 1 385.205 2.939 20 0 GFADMN CN(C)C(=O)[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000575774424 564703913 /nfs/dbraw/zinc/70/39/13/564703913.db2.gz RSSOBHUOHCZJDT-ZDUSSCGKSA-N 0 1 377.286 2.749 20 0 GFADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)C1CN(CC(F)(F)F)C1 ZINC000576063055 564705562 /nfs/dbraw/zinc/70/55/62/564705562.db2.gz RVGWCIAVRHFTGL-UHFFFAOYSA-N 0 1 377.164 2.758 20 0 GFADMN C[C@@H]1CCNC(=O)[C@H]1NCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000576302643 564711851 /nfs/dbraw/zinc/71/18/51/564711851.db2.gz SWCFFPIIOAIGQI-PJQXDXOGSA-N 0 1 384.307 2.771 20 0 GFADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000525981776 564714560 /nfs/dbraw/zinc/71/45/60/564714560.db2.gz JQDVVPUXGDJGMJ-AEUDGJJKSA-N 0 1 383.583 2.682 20 0 GFADMN CN(CC(=O)N1CCN(C)c2cc(Br)ccc21)[C@@H]1CCSC1 ZINC000553396570 564717849 /nfs/dbraw/zinc/71/78/49/564717849.db2.gz HKFFYMVPRSJTHI-CYBMUJFWSA-N 0 1 384.343 2.669 20 0 GFADMN CCN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000488729480 564718653 /nfs/dbraw/zinc/71/86/53/564718653.db2.gz UCOKTNVSNDQORF-GXTWGEPZSA-N 0 1 386.323 2.928 20 0 GFADMN CCc1nc(CNC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)n[nH]1 ZINC000458870261 564721145 /nfs/dbraw/zinc/72/11/45/564721145.db2.gz IONVGKCVDXZDRA-GFCCVEGCSA-N 0 1 394.273 2.795 20 0 GFADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C2CCN(CC)CC2)c1 ZINC000489089001 564729333 /nfs/dbraw/zinc/72/93/33/564729333.db2.gz PPNNXKJHCQGYJS-UHFFFAOYSA-N 0 1 388.917 2.622 20 0 GFADMN Cc1nccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)c1Br ZINC000527089139 564729998 /nfs/dbraw/zinc/72/99/98/564729998.db2.gz SWULIZHPSMNCBP-UHFFFAOYSA-N 0 1 395.276 2.967 20 0 GFADMN CSc1nnc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)s1 ZINC000527115651 564730784 /nfs/dbraw/zinc/73/07/84/564730784.db2.gz SGWXEWWZPHRZHH-UHFFFAOYSA-N 0 1 392.535 2.762 20 0 GFADMN CCOCCN(CC)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000489252305 564733558 /nfs/dbraw/zinc/73/35/58/564733558.db2.gz GFXYINJXLYNHRI-LBPRGKRZSA-N 0 1 390.265 2.977 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)c2cc(Br)c3c(c2)OCCO3)CCN1C ZINC000489317161 564735442 /nfs/dbraw/zinc/73/54/42/564735442.db2.gz GPDLGWACYOBNSQ-AWEZNQCLSA-N 0 1 383.286 2.633 20 0 GFADMN CCN(CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000489328195 564735777 /nfs/dbraw/zinc/73/57/77/564735777.db2.gz KZBOTFVORJYHNS-WMLDXEAASA-N 0 1 399.329 2.834 20 0 GFADMN CCOc1cc(CNC2CN(C(C)=O)C2)cc(Br)c1OC(F)F ZINC000577529761 564735999 /nfs/dbraw/zinc/73/59/99/564735999.db2.gz YRJPIJXDCMGSBX-UHFFFAOYSA-N 0 1 393.228 2.770 20 0 GFADMN O=S(=O)(NCCN1CCCCCC1)c1c(F)cccc1OC(F)(F)F ZINC000553774738 564736377 /nfs/dbraw/zinc/73/63/77/564736377.db2.gz ZOTOUIZMNQKZRL-UHFFFAOYSA-N 0 1 384.395 2.879 20 0 GFADMN CC(C)[C@@H]1CN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CCO1 ZINC000459219256 564736451 /nfs/dbraw/zinc/73/64/51/564736451.db2.gz RJMAXYSOKDDOBK-ZDUSSCGKSA-N 0 1 381.274 2.892 20 0 GFADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000527293643 564737382 /nfs/dbraw/zinc/73/73/82/564737382.db2.gz BTGMNBFRNFOSFO-KGLIPLIRSA-N 0 1 390.933 2.516 20 0 GFADMN COCCN(CC(F)F)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000459227434 564737799 /nfs/dbraw/zinc/73/77/99/564737799.db2.gz YVJMDSGSBKCGJO-UHFFFAOYSA-N 0 1 391.216 2.749 20 0 GFADMN 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381.322 2.834 20 0 GFADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000490563916 564777339 /nfs/dbraw/zinc/77/73/39/564777339.db2.gz HSJABHOGPDWLPO-SSDOTTSWSA-N 0 1 377.253 2.602 20 0 GFADMN OC[C@@H](Cc1ccccc1)NCc1cn(-c2ccccc2Br)nn1 ZINC000554976139 564780215 /nfs/dbraw/zinc/78/02/15/564780215.db2.gz QGLRRQUISWAIDH-OAHLLOKOSA-N 0 1 387.281 2.723 20 0 GFADMN CCc1ncc(S(=O)(=O)Nc2cc(N3CCNC3=O)ccc2Cl)s1 ZINC000460778563 564780488 /nfs/dbraw/zinc/78/04/88/564780488.db2.gz MKFWREOKWYTOJP-UHFFFAOYSA-N 0 1 386.886 2.689 20 0 GFADMN Fc1c(Br)ccc(CN2CC[C@@H](CN3CCOCC3)C2)c1F ZINC000528390245 564781820 /nfs/dbraw/zinc/78/18/20/564781820.db2.gz OHVBLPRLFHPRKQ-LBPRGKRZSA-N 0 1 375.257 2.881 20 0 GFADMN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000581007533 564783767 /nfs/dbraw/zinc/78/37/67/564783767.db2.gz MPRRDWNPTQBUJJ-JTQLQIEISA-N 0 1 377.235 2.927 20 0 GFADMN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000581007540 564784206 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Cc1n[nH]c(SCC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)n1 ZINC000617836635 565262884 /nfs/dbraw/zinc/26/28/84/565262884.db2.gz CZMHFOUOFXJOKP-QGZVFWFLSA-N 0 1 380.901 2.767 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1n[nH]c(COC)n1 ZINC000617937359 565268915 /nfs/dbraw/zinc/26/89/15/565268915.db2.gz OBQMIPFWPCGXEF-GFCCVEGCSA-N 0 1 381.274 2.599 20 0 GFADMN CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1nnc(COC)[nH]1 ZINC000617937359 565268919 /nfs/dbraw/zinc/26/89/19/565268919.db2.gz OBQMIPFWPCGXEF-GFCCVEGCSA-N 0 1 381.274 2.599 20 0 GFADMN COCc1nc(CNC(=O)CCCCOc2ccc(Br)cc2)n[nH]1 ZINC000617936991 565269368 /nfs/dbraw/zinc/26/93/68/565269368.db2.gz AXOZWUCPHSQMKF-UHFFFAOYSA-N 0 1 397.273 2.579 20 0 GFADMN COCc1nnc(CNC(=O)CCCCOc2ccc(Br)cc2)[nH]1 ZINC000617936991 565269369 /nfs/dbraw/zinc/26/93/69/565269369.db2.gz AXOZWUCPHSQMKF-UHFFFAOYSA-N 0 1 397.273 2.579 20 0 GFADMN CC(C)(C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000592404765 565273526 /nfs/dbraw/zinc/27/35/26/565273526.db2.gz 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385.239 2.505 20 0 GFADMN Cc1nc2sccn2c(=O)c1CCN[C@@H](C)c1ncc(Br)cn1 ZINC000645017334 565507979 /nfs/dbraw/zinc/50/79/79/565507979.db2.gz HZYZNNAAWMSOEI-JTQLQIEISA-N 0 1 394.298 2.510 20 0 GFADMN CCc1nc(C(=O)N[C@@H]2CCCN(C)C2)nn1-c1c(Cl)cccc1Cl ZINC000623479819 565512814 /nfs/dbraw/zinc/51/28/14/565512814.db2.gz QWLFRQFAMWHYRV-LLVKDONJSA-N 0 1 382.295 2.961 20 0 GFADMN CS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000666275491 565529382 /nfs/dbraw/zinc/52/93/82/565529382.db2.gz YPTIAJLWXCQYKO-HIFRSBDPSA-N 0 1 393.452 2.776 20 0 GFADMN Fc1ccc(Br)cc1CNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623780200 565529628 /nfs/dbraw/zinc/52/96/28/565529628.db2.gz CVDXRCUCDIVERV-KRWDZBQOSA-N 0 1 394.288 2.974 20 0 GFADMN Fc1ccc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000623781683 565530373 /nfs/dbraw/zinc/53/03/73/565530373.db2.gz YBHLMGVJZDSKKV-QGZVFWFLSA-N 0 1 394.288 2.974 20 0 GFADMN O=C(NCc1cnc[nH]1)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000645525119 565535169 /nfs/dbraw/zinc/53/51/69/565535169.db2.gz 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LBNGQRBAWJNOIC-UHFFFAOYSA-N 0 1 395.806 2.704 20 0 GFADMN CCCN(CC(=O)N(C)C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000736470336 598760298 /nfs/dbraw/zinc/76/02/98/598760298.db2.gz DMMRIQQYCNDAIG-UHFFFAOYSA-N 0 1 378.480 2.834 20 0 GFADMN CC[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736327152 598784807 /nfs/dbraw/zinc/78/48/07/598784807.db2.gz PBXNYNSJKJMPPD-LLVKDONJSA-N 0 1 386.412 2.673 20 0 GFADMN FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)c1 ZINC000822718176 599440352 /nfs/dbraw/zinc/44/03/52/599440352.db2.gz BQCDVAIWLFGRBZ-LLVKDONJSA-N 0 1 394.357 2.727 20 0 GFADMN c1csc(C([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c2cccs2)c1 ZINC000738453959 599599387 /nfs/dbraw/zinc/59/93/87/599599387.db2.gz ZYEGFYZIZOZPPS-NSHDSACASA-N 0 1 398.521 2.607 20 0 GFADMN CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccccc1C(=O)[O-] ZINC000737324332 599709576 /nfs/dbraw/zinc/70/95/76/599709576.db2.gz OMTLBORNWLTDEB-GOSISDBHSA-N 0 1 396.443 2.956 20 0 GFADMN CN(C(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)c1ccccc1C(=O)[O-] ZINC000737324332 599709578 /nfs/dbraw/zinc/70/95/78/599709578.db2.gz OMTLBORNWLTDEB-GOSISDBHSA-N 0 1 396.443 2.956 20 0 GFADMN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738313109 599710848 /nfs/dbraw/zinc/71/08/48/599710848.db2.gz XKTOJDZCHGSBLB-OAHLLOKOSA-N 0 1 398.463 2.567 20 0 GFADMN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC000738313109 599710851 /nfs/dbraw/zinc/71/08/51/599710851.db2.gz XKTOJDZCHGSBLB-OAHLLOKOSA-N 0 1 398.463 2.567 20 0 GFADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000650504346 599754191 /nfs/dbraw/zinc/75/41/91/599754191.db2.gz JDSFTAKRHJVBII-YJBOKZPZSA-N 0 1 390.480 2.697 20 0 GFADMN CC(C)C[C@@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C(=O)[O-] ZINC000736412650 599818231 /nfs/dbraw/zinc/81/82/31/599818231.db2.gz OWPYQWGOSGWDNY-LJQANCHMSA-N 0 1 388.508 2.982 20 0 GFADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000571888989 599864089 /nfs/dbraw/zinc/86/40/89/599864089.db2.gz WVXNBZQZSNEVCD-CQSZACIVSA-N 0 1 385.794 2.945 20 0 GFADMN O=C([O-])C1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000738544846 599867226 /nfs/dbraw/zinc/86/72/26/599867226.db2.gz CFVHRUBCBZPPAB-QFIPXVFZSA-N 0 1 378.472 2.957 20 0 GFADMN C[C@H](C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1)C(=O)[O-] ZINC000736577600 599887808 /nfs/dbraw/zinc/88/78/08/599887808.db2.gz DPIAICUXERESGB-MRXNPFEDSA-N 0 1 380.444 2.896 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000737520474 599973391 /nfs/dbraw/zinc/97/33/91/599973391.db2.gz KKTYECRIHLZPKN-CABCVRRESA-N 0 1 391.537 2.822 20 0 GFADMN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000738909249 599974716 /nfs/dbraw/zinc/97/47/16/599974716.db2.gz PNKRXMHCSOODHW-MAUKXSAKSA-N 0 1 384.480 2.577 20 0 GFADMN CCCc1c(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041294 599976030 /nfs/dbraw/zinc/97/60/30/599976030.db2.gz RCTVBGTZEOWWID-HNNXBMFYSA-N 0 1 399.495 2.779 20 0 GFADMN CCOC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737144733 599994967 /nfs/dbraw/zinc/99/49/67/599994967.db2.gz QZXIYGDMVGSOKH-CQSZACIVSA-N 0 1 391.468 2.573 20 0 GFADMN C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000130496597 600004596 /nfs/dbraw/zinc/00/45/96/600004596.db2.gz RMPZPRODMWOOPG-AWEZNQCLSA-N 0 1 394.880 2.720 20 0 GFADMN O=C([O-])c1ccc(CCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000739256026 600069922 /nfs/dbraw/zinc/06/99/22/600069922.db2.gz IUBYXUUOHKCKQD-HXUWFJFHSA-N 0 1 380.488 2.998 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(Cn3nc(C(=O)[O-])c(Cl)c3C)CC2)c1 ZINC000738089275 600078803 /nfs/dbraw/zinc/07/88/03/600078803.db2.gz CSMICIJHXKZJCU-ZDUSSCGKSA-N 0 1 392.887 2.888 20 0 GFADMN CC[C@]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000736914983 600132121 /nfs/dbraw/zinc/13/21/21/600132121.db2.gz ALIRAZGQSIBAMK-FDDCHVKYSA-N 0 1 395.503 2.609 20 0 GFADMN C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737407972 600213553 /nfs/dbraw/zinc/21/35/53/600213553.db2.gz GKEZVSCCHGADOX-WBVHZDCISA-N 0 1 394.265 2.947 20 0 GFADMN CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000737284975 600235778 /nfs/dbraw/zinc/23/57/78/600235778.db2.gz NNSMAYKKOTVFRI-CYBMUJFWSA-N 0 1 397.884 2.823 20 0 GFADMN CCOc1ccc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OCC ZINC000737203469 600296783 /nfs/dbraw/zinc/29/67/83/600296783.db2.gz NBZSNLUJZPXWLL-OAHLLOKOSA-N 0 1 376.453 2.609 20 0 GFADMN C[N@@H+](CCCNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CCCCC1 ZINC000737438223 600302429 /nfs/dbraw/zinc/30/24/29/600302429.db2.gz GTWIKFKFMKHTBC-UHFFFAOYSA-N 0 1 395.887 2.748 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736789489 600311343 /nfs/dbraw/zinc/31/13/43/600311343.db2.gz NRRGVYULSAJQSN-WMZOPIPTSA-N 0 1 394.537 2.801 20 0 GFADMN CC(C)Cc1ccc([C@]2(C)NC(=O)N(C[N@@H+](CCC(=O)[O-])C(C)C)C2=O)cc1 ZINC000736454158 600313290 /nfs/dbraw/zinc/31/32/90/600313290.db2.gz REDOERQJCOSUEB-NRFANRHFSA-N 0 1 389.496 2.795 20 0 GFADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000737687186 600325875 /nfs/dbraw/zinc/32/58/75/600325875.db2.gz RXZGFTWXLBMBCY-GXTWGEPZSA-N 0 1 386.404 2.581 20 0 GFADMN O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000739622933 600331817 /nfs/dbraw/zinc/33/18/17/600331817.db2.gz VYICEQJMLJASBG-NRFANRHFSA-N 0 1 396.462 2.871 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738217323 600337461 /nfs/dbraw/zinc/33/74/61/600337461.db2.gz ZXZBTTSCXFUTDI-QGZVFWFLSA-N 0 1 396.491 2.599 20 0 GFADMN Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000738532791 600356385 /nfs/dbraw/zinc/35/63/85/600356385.db2.gz KELLEHFZVBAWOJ-IBGZPJMESA-N 0 1 383.448 2.576 20 0 GFADMN O=C([O-])CCCNC(=S)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000739680719 600403598 /nfs/dbraw/zinc/40/35/98/600403598.db2.gz FQCRXZJFBYRPBK-CQSZACIVSA-N 0 1 389.443 2.609 20 0 GFADMN C[C@](CO)([NH2+]CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000736606260 600410941 /nfs/dbraw/zinc/41/09/41/600410941.db2.gz CRQYNZDVISZZHJ-GOSISDBHSA-N 0 1 396.365 2.839 20 0 GFADMN CC[C@@H]1CCC[N@H+](Cn2c(=O)c3c(nc(C)c(CCC(=O)[O-])c3C)n2C)CC1 ZINC000736941579 600427673 /nfs/dbraw/zinc/42/76/73/600427673.db2.gz XJJCJVCOIWFOEB-MRXNPFEDSA-N 0 1 388.512 2.839 20 0 GFADMN CC[C@@H]1CCC[N@@H+](Cn2c(=O)c3c(nc(C)c(CCC(=O)[O-])c3C)n2C)CC1 ZINC000736941579 600427675 /nfs/dbraw/zinc/42/76/75/600427675.db2.gz XJJCJVCOIWFOEB-MRXNPFEDSA-N 0 1 388.512 2.839 20 0 GFADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000736715328 600436446 /nfs/dbraw/zinc/43/64/46/600436446.db2.gz QDQRZXXZTIQMPJ-CQSZACIVSA-N 0 1 381.473 2.523 20 0 GFADMN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737521208 600464077 /nfs/dbraw/zinc/46/40/77/600464077.db2.gz NOXFFNOSKGNURW-KGLIPLIRSA-N 0 1 394.518 2.847 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000737861941 600471277 /nfs/dbraw/zinc/47/12/77/600471277.db2.gz HHXHLXYKSGZOQN-BBRMVZONSA-N 0 1 389.423 2.892 20 0 GFADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000737861941 600471278 /nfs/dbraw/zinc/47/12/78/600471278.db2.gz HHXHLXYKSGZOQN-BBRMVZONSA-N 0 1 389.423 2.892 20 0 GFADMN Cc1c(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cccc1C(=O)[O-] ZINC000738303776 600476087 /nfs/dbraw/zinc/47/60/87/600476087.db2.gz JRLRPESAHSKADB-IYBDPMFKSA-N 0 1 388.512 2.716 20 0 GFADMN Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C(=O)[O-] ZINC000738437923 600482049 /nfs/dbraw/zinc/48/20/49/600482049.db2.gz UGILNBOINJAXSB-UXLLHSPISA-N 0 1 375.469 2.799 20 0 GFADMN Cc1cc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C(=O)[O-] ZINC000738437923 600482050 /nfs/dbraw/zinc/48/20/50/600482050.db2.gz UGILNBOINJAXSB-UXLLHSPISA-N 0 1 375.469 2.799 20 0 GFADMN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000737987699 600506953 /nfs/dbraw/zinc/50/69/53/600506953.db2.gz YKWFLVGJDJIFTQ-INIZCTEOSA-N 0 1 390.480 2.744 20 0 GFADMN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000737987699 600506955 /nfs/dbraw/zinc/50/69/55/600506955.db2.gz YKWFLVGJDJIFTQ-INIZCTEOSA-N 0 1 390.480 2.744 20 0 GFADMN Cc1cc(C(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 ZINC000738320409 600507708 /nfs/dbraw/zinc/50/77/08/600507708.db2.gz SECVVKPQFMFZGD-ZDUSSCGKSA-N 0 1 386.448 2.717 20 0 GFADMN Cc1cc(C(=O)C[N@H+](C)C[C@H](C)C(=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 ZINC000738320409 600507709 /nfs/dbraw/zinc/50/77/09/600507709.db2.gz SECVVKPQFMFZGD-ZDUSSCGKSA-N 0 1 386.448 2.717 20 0 GFADMN O=C(CN1CCC[C@@H](Cc2ccccc2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822998108 607451605 /nfs/dbraw/zinc/45/16/05/607451605.db2.gz ZDDJOUCXDMSVIS-KRWDZBQOSA-N 0 1 376.464 2.760 20 0 GFADMN C[C@@H](C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000736206709 600585747 /nfs/dbraw/zinc/58/57/47/600585747.db2.gz XUWUQKTYZAMOIS-MSOLQXFVSA-N 0 1 395.503 2.942 20 0 GFADMN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000737397511 600640534 /nfs/dbraw/zinc/64/05/34/600640534.db2.gz VKYQABPZBCUZJS-UHFFFAOYSA-N 0 1 395.459 2.560 20 0 GFADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000736214674 600643380 /nfs/dbraw/zinc/64/33/80/600643380.db2.gz JXKQGIBRVNGZDO-UZLBHIALSA-N 0 1 382.460 2.933 20 0 GFADMN O=C([O-])C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccs1 ZINC000739626953 600678021 /nfs/dbraw/zinc/67/80/21/600678021.db2.gz MNFIHIRWHQIKCV-IRXDYDNUSA-N 0 1 388.489 2.671 20 0 GFADMN O=C([O-])C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccs1 ZINC000739626953 600678024 /nfs/dbraw/zinc/67/80/24/600678024.db2.gz MNFIHIRWHQIKCV-IRXDYDNUSA-N 0 1 388.489 2.671 20 0 GFADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000828259695 600710990 /nfs/dbraw/zinc/71/09/90/600710990.db2.gz ZKLUZYFZYXWHAO-CQSZACIVSA-N 0 1 391.493 2.566 20 0 GFADMN CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000582246918 600720490 /nfs/dbraw/zinc/72/04/90/600720490.db2.gz VCWUSFBZCUTISB-QXAKKESOSA-N 0 1 377.481 2.794 20 0 GFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000827949688 600721852 /nfs/dbraw/zinc/72/18/52/600721852.db2.gz MSMZGGIDDHFKFR-GXTWGEPZSA-N 0 1 380.491 2.560 20 0 GFADMN Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832903413 600725881 /nfs/dbraw/zinc/72/58/81/600725881.db2.gz BYYAVFBGHZOJKX-UHFFFAOYSA-N 0 1 385.445 2.666 20 0 GFADMN Cc1sc(NC(=O)COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C(=O)[O-])c1C ZINC000738399859 600735626 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CC[N@H+]1C[C@H](C)[C@H](Nc2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000829754273 601565141 /nfs/dbraw/zinc/56/51/41/601565141.db2.gz VNLHJBIFCJXJKV-MGPLVRAMSA-N 0 1 378.270 2.870 20 0 GFADMN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000833032673 601630963 /nfs/dbraw/zinc/63/09/63/601630963.db2.gz LLBMOWHMPUVOJA-LLVKDONJSA-N 0 1 376.482 2.894 20 0 GFADMN COc1ccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826193722 607520161 /nfs/dbraw/zinc/52/01/61/607520161.db2.gz MTLPTTDRUPRDRB-UHFFFAOYSA-N 0 1 398.442 2.864 20 0 GFADMN O=C([O-])[C@@]1(NC(=O)c2cc(F)c(F)c(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128886 601729926 /nfs/dbraw/zinc/72/99/26/601729926.db2.gz PCBBSDBRHKWTQB-HXUWFJFHSA-N 0 1 392.377 2.953 20 0 GFADMN COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000832169887 601732372 /nfs/dbraw/zinc/73/23/72/601732372.db2.gz WDZWEWINBKGCTD-QFIPXVFZSA-N 0 1 398.459 2.553 20 0 GFADMN CC(C)CN1Cc2cccc(NC(=O)COc3ccccc3-c3nn[nH]n3)c2C1 ZINC000824262205 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CDORLUNIQWLCNU-UHFFFAOYSA-N 0 1 396.413 2.773 20 0 GFADMN C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H](NC(=O)[O-])c3ccccc3)c2)CCO1 ZINC000739195763 601906007 /nfs/dbraw/zinc/90/60/07/601906007.db2.gz ZBGBNVHNUWJFCU-OXQOHEQNSA-N 0 1 397.475 2.532 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H](NC(=O)[O-])c3ccccc3)c2)CCO1 ZINC000739195763 601906008 /nfs/dbraw/zinc/90/60/08/601906008.db2.gz ZBGBNVHNUWJFCU-OXQOHEQNSA-N 0 1 397.475 2.532 20 0 GFADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000828020428 601917774 /nfs/dbraw/zinc/91/77/74/601917774.db2.gz PYHVWPVZLBZANT-IFXJQAMLSA-N 0 1 387.461 2.815 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012570 601927196 /nfs/dbraw/zinc/92/71/96/601927196.db2.gz HHBPVHWVWAXOFL-GWCFXTLKSA-N 0 1 376.400 2.925 20 0 GFADMN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826012570 601927198 /nfs/dbraw/zinc/92/71/98/601927198.db2.gz HHBPVHWVWAXOFL-GWCFXTLKSA-N 0 1 376.400 2.925 20 0 GFADMN CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000830954988 602049753 /nfs/dbraw/zinc/04/97/53/602049753.db2.gz VSMOYIIQWAVADG-WOJBJXKFSA-N 0 1 387.524 2.587 20 0 GFADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739112967 602080311 /nfs/dbraw/zinc/08/03/11/602080311.db2.gz UNJIEVVQHMVDLI-IRXDYDNUSA-N 0 1 388.512 2.718 20 0 GFADMN CC(C)OC(=O)c1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000824309902 607545336 /nfs/dbraw/zinc/54/53/36/607545336.db2.gz ZNWGFRDVOVPADE-UHFFFAOYSA-N 0 1 389.415 2.795 20 0 GFADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739109601 602135421 /nfs/dbraw/zinc/13/54/21/602135421.db2.gz MILPCIQDJKSXOE-XMTFNYHQSA-N 0 1 380.533 2.671 20 0 GFADMN C[C@H](CNC(=O)NCc1ccc(CCNC(=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000739108414 602186894 /nfs/dbraw/zinc/18/68/94/602186894.db2.gz PZOOELSGNUPAOU-HZPDHXFCSA-N 0 1 376.501 2.559 20 0 GFADMN CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1 ZINC000739501326 602274613 /nfs/dbraw/zinc/27/46/13/602274613.db2.gz HZWJRDJZXJEACT-MAUKXSAKSA-N 0 1 377.485 2.554 20 0 GFADMN CCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000829596708 602282639 /nfs/dbraw/zinc/28/26/39/602282639.db2.gz ARYOTBPRYIQBSR-BHIYHBOVSA-N 0 1 388.512 2.996 20 0 GFADMN COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC2)c1 ZINC000739945251 602363390 /nfs/dbraw/zinc/36/33/90/602363390.db2.gz IYPGTQFLGFGGLY-INIZCTEOSA-N 0 1 377.485 2.679 20 0 GFADMN O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000740357369 602378083 /nfs/dbraw/zinc/37/80/83/602378083.db2.gz SATGVIROBFCNBL-HOTGVXAUSA-N 0 1 389.452 2.741 20 0 GFADMN C[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)[N@@H+]1CCc2sccc2C1 ZINC000738915294 602416131 /nfs/dbraw/zinc/41/61/31/602416131.db2.gz HFODJEFPFMEODN-AWEZNQCLSA-N 0 1 394.541 2.526 20 0 GFADMN C[C@@H](CNC(=O)N1CCC(CN(C)C(=O)[O-])CC1)[N@H+]1CCc2sccc2C1 ZINC000738915294 602416132 /nfs/dbraw/zinc/41/61/32/602416132.db2.gz HFODJEFPFMEODN-AWEZNQCLSA-N 0 1 394.541 2.526 20 0 GFADMN C[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000739738813 602459237 /nfs/dbraw/zinc/45/92/37/602459237.db2.gz XBSNJJFODAEDJN-UHFFFAOYSA-N 0 1 384.480 2.687 20 0 GFADMN Cc1cc(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H]2CCCN(C(=O)[O-])C2)no1 ZINC000740083533 602480518 /nfs/dbraw/zinc/48/05/18/602480518.db2.gz CRRQLHVOJRYZJI-KRWDZBQOSA-N 0 1 386.452 2.956 20 0 GFADMN CN(C(=O)[O-])C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000737926788 602522797 /nfs/dbraw/zinc/52/27/97/602522797.db2.gz CFDRBNRVYRHOBB-MRXNPFEDSA-N 0 1 377.460 2.639 20 0 GFADMN CN(C(=O)[O-])C1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000737937246 602537494 /nfs/dbraw/zinc/53/74/94/602537494.db2.gz ARTOKIVXJFAWGT-UHFFFAOYSA-N 0 1 391.365 2.535 20 0 GFADMN O=C([O-])NC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000740604750 602540827 /nfs/dbraw/zinc/54/08/27/602540827.db2.gz RZPUQPIOPHKTJT-MOPGFXCFSA-N 0 1 388.512 2.626 20 0 GFADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000738940747 602557153 /nfs/dbraw/zinc/55/71/53/602557153.db2.gz KUCVPDMHPTZVOX-SECBINFHSA-N 0 1 376.226 2.505 20 0 GFADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000739895526 602559671 /nfs/dbraw/zinc/55/96/71/602559671.db2.gz WULGZLQHAXIWCZ-YJBOKZPZSA-N 0 1 377.485 2.727 20 0 GFADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000739895526 602559674 /nfs/dbraw/zinc/55/96/74/602559674.db2.gz WULGZLQHAXIWCZ-YJBOKZPZSA-N 0 1 377.485 2.727 20 0 GFADMN O=C([O-])N[C@@H]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000738651182 602575432 /nfs/dbraw/zinc/57/54/32/602575432.db2.gz JDIYKYYZBAVADN-MVCQKVDPSA-N 0 1 386.496 2.624 20 0 GFADMN COCC[NH+]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000739836088 602597578 /nfs/dbraw/zinc/59/75/78/602597578.db2.gz WGRWNGGYQBSIQX-UHFFFAOYSA-N 0 1 390.362 2.591 20 0 GFADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000738826392 602606580 /nfs/dbraw/zinc/60/65/80/602606580.db2.gz WGEPJHOWTYIESU-QGZVFWFLSA-N 0 1 390.484 2.596 20 0 GFADMN CCN1CC[NH+](CCCNC(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000739462408 602723842 /nfs/dbraw/zinc/72/38/42/602723842.db2.gz YFVRXFOMEYKYIY-UHFFFAOYSA-N 0 1 384.480 2.687 20 0 GFADMN C[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739171423 602771510 /nfs/dbraw/zinc/77/15/10/602771510.db2.gz IEPYZKOZAOJZRM-OGWOLHLISA-N 0 1 387.505 2.932 20 0 GFADMN C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739171423 602771512 /nfs/dbraw/zinc/77/15/12/602771512.db2.gz IEPYZKOZAOJZRM-OGWOLHLISA-N 0 1 387.505 2.932 20 0 GFADMN COc1cc(Br)c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739852249 602793401 /nfs/dbraw/zinc/79/34/01/602793401.db2.gz NDOMHQGZSSNSBV-GXFFZTMASA-N 0 1 387.274 2.944 20 0 GFADMN COc1cc(Br)c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739852249 602793404 /nfs/dbraw/zinc/79/34/04/602793404.db2.gz NDOMHQGZSSNSBV-GXFFZTMASA-N 0 1 387.274 2.944 20 0 GFADMN COc1cc(Br)c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739852250 602793868 /nfs/dbraw/zinc/79/38/68/602793868.db2.gz NDOMHQGZSSNSBV-MFKMUULPSA-N 0 1 387.274 2.944 20 0 GFADMN COc1cc(Br)c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739852250 602793871 /nfs/dbraw/zinc/79/38/71/602793871.db2.gz NDOMHQGZSSNSBV-MFKMUULPSA-N 0 1 387.274 2.944 20 0 GFADMN Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084862 602863880 /nfs/dbraw/zinc/86/38/80/602863880.db2.gz UNHDOALIPDUXRO-JKSUJKDBSA-N 0 1 391.516 2.882 20 0 GFADMN Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])n(C(C)(C)C)n1 ZINC000740084862 602863883 /nfs/dbraw/zinc/86/38/83/602863883.db2.gz UNHDOALIPDUXRO-JKSUJKDBSA-N 0 1 391.516 2.882 20 0 GFADMN C[C@H]1C[C@H](N(C)C(=O)NCCCN(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000739086478 602904810 /nfs/dbraw/zinc/90/48/10/602904810.db2.gz VRVAEFHLSQHKFS-FUHWJXTLSA-N 0 1 376.501 2.681 20 0 GFADMN CCN(CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000739425834 602912730 /nfs/dbraw/zinc/91/27/30/602912730.db2.gz MYBJLNIMLXMLBU-WMZOPIPTSA-N 0 1 376.501 2.681 20 0 GFADMN C[C@H](c1ccc(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000739058349 603030644 /nfs/dbraw/zinc/03/06/44/603030644.db2.gz OEQUGIZWMMXITO-BZUAXINKSA-N 0 1 390.484 2.684 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc(C(C)(C)NC(=O)[O-])no2)C1 ZINC000739110171 603036224 /nfs/dbraw/zinc/03/62/24/603036224.db2.gz WILAJRHTECOLQI-GJZGRUSLSA-N 0 1 379.505 2.659 20 0 GFADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000739099721 603038895 /nfs/dbraw/zinc/03/88/95/603038895.db2.gz DGKSAENIMICXOA-DFQSSKMNSA-N 0 1 387.524 2.978 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000828382487 603066007 /nfs/dbraw/zinc/06/60/07/603066007.db2.gz GYULEUACJCJGGI-PMACEKPBSA-N 0 1 381.476 2.598 20 0 GFADMN O=C([O-])N1CCC(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)CC1 ZINC000740498909 603067896 /nfs/dbraw/zinc/06/78/96/603067896.db2.gz IBSCMYHGDGXMDS-UHFFFAOYSA-N 0 1 377.466 2.642 20 0 GFADMN O=C([O-])N1CCC[C@H]1C1CC[NH+](CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000740521121 603080479 /nfs/dbraw/zinc/08/04/79/603080479.db2.gz YKILLVHGWLGNEV-OALUTQOASA-N 0 1 387.480 2.862 20 0 GFADMN C[C@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)[O-] ZINC000824593821 603209889 /nfs/dbraw/zinc/20/98/89/603209889.db2.gz ZRTIKYHJPGHXNT-QGZVFWFLSA-N 0 1 381.476 2.966 20 0 GFADMN CN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1)C(=O)[O-] ZINC000739663620 603248007 /nfs/dbraw/zinc/24/80/07/603248007.db2.gz FFECBZCZOIXIQE-LBPRGKRZSA-N 0 1 384.274 2.709 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000739681929 603250130 /nfs/dbraw/zinc/25/01/30/603250130.db2.gz JWEHRNVFRCYYHN-LJQANCHMSA-N 0 1 387.505 2.812 20 0 GFADMN C[N@@H+](CCCNC(=O)[O-])CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000739682909 603250307 /nfs/dbraw/zinc/25/03/07/603250307.db2.gz WSVNTZPZAXTYMT-HXUWFJFHSA-N 0 1 381.476 2.750 20 0 GFADMN CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000740009548 603280431 /nfs/dbraw/zinc/28/04/31/603280431.db2.gz ACEDUFYRZPASOJ-KCQAQPDRSA-N 0 1 385.555 2.637 20 0 GFADMN O=C([O-])NCc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000740678149 603327190 /nfs/dbraw/zinc/32/71/90/603327190.db2.gz RTHRJJZMVCHQCB-UHFFFAOYSA-N 0 1 390.484 2.611 20 0 GFADMN Cc1nc(C2CCCC2)sc1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000830735278 603348658 /nfs/dbraw/zinc/34/86/58/603348658.db2.gz QZYXRJOCYWKOJE-UHFFFAOYSA-N 0 1 380.514 2.525 20 0 GFADMN CC[C@@H]1CN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000826680323 603386597 /nfs/dbraw/zinc/38/65/97/603386597.db2.gz ARYZDSGAJQZPQG-RHSMWYFYSA-N 0 1 378.473 2.590 20 0 GFADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)NC(=O)[O-] ZINC000827099082 603458275 /nfs/dbraw/zinc/45/82/75/603458275.db2.gz LCFWSCVVDGHXTO-QGZVFWFLSA-N 0 1 376.501 2.586 20 0 GFADMN C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825793860 603486171 /nfs/dbraw/zinc/48/61/71/603486171.db2.gz BRSZNHNTRVACNJ-QRQLOZEOSA-N 0 1 388.512 2.681 20 0 GFADMN O=C([O-])NCCCn1ccc2cc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000832636286 603529786 /nfs/dbraw/zinc/52/97/86/603529786.db2.gz QRSKXUHOLYDAKR-QZTJIDSGSA-N 0 1 384.480 2.656 20 0 GFADMN Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000831261578 603567678 /nfs/dbraw/zinc/56/76/78/603567678.db2.gz ZSKGZWMPUQGDNM-IAGOWNOFSA-N 0 1 378.448 2.733 20 0 GFADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823654023 603624294 /nfs/dbraw/zinc/62/42/94/603624294.db2.gz GMYBBNQCGUXDGG-CYBMUJFWSA-N 0 1 392.525 2.869 20 0 GFADMN C[C@H](c1ccc(NC(=O)C2(CNC(=O)[O-])CCCC2)cc1)[NH+]1CCOCC1 ZINC000825630061 603660126 /nfs/dbraw/zinc/66/01/26/603660126.db2.gz MWHMTDLTFOLQPW-OAHLLOKOSA-N 0 1 375.469 2.846 20 0 GFADMN C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)C1CCC(NC(=O)[O-])CC1 ZINC000828091114 603784573 /nfs/dbraw/zinc/78/45/73/603784573.db2.gz UXRCAZNELNCEBG-UHFFFAOYSA-N 0 1 391.390 2.681 20 0 GFADMN CC(C)[C@H](CC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1)NC(=O)[O-] ZINC000824105468 603826522 /nfs/dbraw/zinc/82/65/22/603826522.db2.gz WHBZEXKXMMQBJM-ZDUSSCGKSA-N 0 1 376.413 2.579 20 0 GFADMN CC(C)[C@H](CC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1)NC(=O)[O-] ZINC000824105468 603826525 /nfs/dbraw/zinc/82/65/25/603826525.db2.gz WHBZEXKXMMQBJM-ZDUSSCGKSA-N 0 1 376.413 2.579 20 0 GFADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000828382770 603858613 /nfs/dbraw/zinc/85/86/13/603858613.db2.gz LQLNSYUNNPCFRC-HXUWFJFHSA-N 0 1 393.487 2.525 20 0 GFADMN Cc1ccc(-c2n[nH]c(SCC(=O)c3cccc(-c4nn[nH]n4)c3)n2)cc1 ZINC000826273756 607657224 /nfs/dbraw/zinc/65/72/24/607657224.db2.gz SHUPHDABVOIXKV-UHFFFAOYSA-N 0 1 377.433 2.935 20 0 GFADMN CN(C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000827794454 603897499 /nfs/dbraw/zinc/89/74/99/603897499.db2.gz OIDJEFAXERLPSB-OALUTQOASA-N 0 1 388.512 2.682 20 0 GFADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC(C)(C)NC(=O)[O-])C1 ZINC000825926270 603961843 /nfs/dbraw/zinc/96/18/43/603961843.db2.gz VOGGEFMONWQVQB-OAHLLOKOSA-N 0 1 376.501 2.764 20 0 GFADMN O=C([O-])N1CC[NH+](CCCNC(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000831676366 603994633 /nfs/dbraw/zinc/99/46/33/603994633.db2.gz NHJIULVORJPELG-UHFFFAOYSA-N 0 1 388.390 2.599 20 0 GFADMN C[C@H](CCNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000824786450 604043964 /nfs/dbraw/zinc/04/39/64/604043964.db2.gz MIJPKQIMNFRAFG-SJLPKXTDSA-N 0 1 376.501 2.538 20 0 GFADMN C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CC[N@H+]1Cc1ccccc1 ZINC000825944399 604089635 /nfs/dbraw/zinc/08/96/35/604089635.db2.gz NBIVOJRFURVVDK-HKUYNNGSSA-N 0 1 388.512 2.682 20 0 GFADMN Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCN3CCN(C(=O)[O-])CC3)o2)cc1C ZINC000830158811 604131650 /nfs/dbraw/zinc/13/16/50/604131650.db2.gz AQXGMEDNQRKKSQ-MRXNPFEDSA-N 0 1 387.484 2.642 20 0 GFADMN Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)CCN3CCN(C(=O)[O-])CC3)o2)cc1C ZINC000830158811 604131653 /nfs/dbraw/zinc/13/16/53/604131653.db2.gz AQXGMEDNQRKKSQ-MRXNPFEDSA-N 0 1 387.484 2.642 20 0 GFADMN C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCN1C(=O)[O-] ZINC000825996979 604158765 /nfs/dbraw/zinc/15/87/65/604158765.db2.gz UNJJOSJCHKLNIW-IIAWOOMASA-N 0 1 380.514 2.525 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000825252483 604166431 /nfs/dbraw/zinc/16/64/31/604166431.db2.gz DXPDMPIOYHUCTI-AVGNSLFASA-N 0 1 385.411 2.983 20 0 GFADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)C1 ZINC000825252483 604166432 /nfs/dbraw/zinc/16/64/32/604166432.db2.gz DXPDMPIOYHUCTI-AVGNSLFASA-N 0 1 385.411 2.983 20 0 GFADMN C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000828171001 604170333 /nfs/dbraw/zinc/17/03/33/604170333.db2.gz WOIOEFXXQHRGBN-LBPRGKRZSA-N 0 1 377.268 2.807 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000825267532 604212122 /nfs/dbraw/zinc/21/21/22/604212122.db2.gz ZEJZNIAPHCYKCP-DOTOQJQBSA-N 0 1 391.516 2.770 20 0 GFADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000825267532 604212124 /nfs/dbraw/zinc/21/21/24/604212124.db2.gz ZEJZNIAPHCYKCP-DOTOQJQBSA-N 0 1 391.516 2.770 20 0 GFADMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000825273398 604215465 /nfs/dbraw/zinc/21/54/65/604215465.db2.gz PJYDVXZEEBOTAO-IUODEOHRSA-N 0 1 388.493 2.777 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000740595792 604369972 /nfs/dbraw/zinc/36/99/72/604369972.db2.gz VNARDKPVOKCFPI-IUODEOHRSA-N 0 1 386.279 2.999 20 0 GFADMN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000740595792 604369977 /nfs/dbraw/zinc/36/99/77/604369977.db2.gz VNARDKPVOKCFPI-IUODEOHRSA-N 0 1 386.279 2.999 20 0 GFADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000827015343 604402855 /nfs/dbraw/zinc/40/28/55/604402855.db2.gz BXFJQHIWNZTYIL-IERDGZPVSA-N 0 1 384.476 2.965 20 0 GFADMN COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)CC2 ZINC000563282612 604423486 /nfs/dbraw/zinc/42/34/86/604423486.db2.gz JCZANVGDRYYZGX-UHFFFAOYSA-N 0 1 375.421 2.913 20 0 GFADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824257685 604436705 /nfs/dbraw/zinc/43/67/05/604436705.db2.gz TYBGVFRKDSLYRM-RDJZCZTQSA-N 0 1 376.501 2.792 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000832264465 604455835 /nfs/dbraw/zinc/45/58/35/604455835.db2.gz DLQSLFACFWDIGO-KRWDZBQOSA-N 0 1 390.480 2.697 20 0 GFADMN COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000832264465 604455837 /nfs/dbraw/zinc/45/58/37/604455837.db2.gz DLQSLFACFWDIGO-KRWDZBQOSA-N 0 1 390.480 2.697 20 0 GFADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000833701939 604474553 /nfs/dbraw/zinc/47/45/53/604474553.db2.gz PLLDJVOIJPAVQX-GGPKGHCWSA-N 0 1 380.444 2.667 20 0 GFADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000827664284 604482072 /nfs/dbraw/zinc/48/20/72/604482072.db2.gz FCMVEFJUBCGUSJ-CZUORRHYSA-N 0 1 389.477 2.857 20 0 GFADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000827664284 604482075 /nfs/dbraw/zinc/48/20/75/604482075.db2.gz FCMVEFJUBCGUSJ-CZUORRHYSA-N 0 1 389.477 2.857 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CCC2 ZINC000833107116 604498864 /nfs/dbraw/zinc/49/88/64/604498864.db2.gz YLSIFGVSANPIDJ-BUXKBTBVSA-N 0 1 378.494 2.501 20 0 GFADMN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CCC2 ZINC000833107116 604498866 /nfs/dbraw/zinc/49/88/66/604498866.db2.gz YLSIFGVSANPIDJ-BUXKBTBVSA-N 0 1 378.494 2.501 20 0 GFADMN COc1cccc(OCC[NH+]2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000832573141 604505942 /nfs/dbraw/zinc/50/59/42/604505942.db2.gz QWXZSUJUWAWVAT-FQEVSTJZSA-N 0 1 388.439 2.657 20 0 GFADMN CCc1nc(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3CC(=O)[O-])CC2)cs1 ZINC000830313419 604514476 /nfs/dbraw/zinc/51/44/76/604514476.db2.gz AKNFKODGKYXLEL-MRXNPFEDSA-N 0 1 394.541 2.566 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828369841 604521302 /nfs/dbraw/zinc/52/13/02/604521302.db2.gz NARVDCVHTATZLB-BBRMVZONSA-N 0 1 389.477 2.718 20 0 GFADMN C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828369841 604521306 /nfs/dbraw/zinc/52/13/06/604521306.db2.gz NARVDCVHTATZLB-BBRMVZONSA-N 0 1 389.477 2.718 20 0 GFADMN C[C@H](Oc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1)C(=O)[O-] ZINC000833537996 604523268 /nfs/dbraw/zinc/52/32/68/604523268.db2.gz AVCFGPMJRRGHOR-KRWDZBQOSA-N 0 1 394.475 2.504 20 0 GFADMN C[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)[N@@H+](C)C[C@H]3C)c2C(=O)[O-])C1 ZINC000833616580 604569181 /nfs/dbraw/zinc/56/91/81/604569181.db2.gz DOWSFPDHXZTOEH-FRRDWIJNSA-N 0 1 379.526 2.534 20 0 GFADMN C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828265890 604571043 /nfs/dbraw/zinc/57/10/43/604571043.db2.gz LWXSLUOLQZPRQD-INIZCTEOSA-N 0 1 388.512 2.703 20 0 GFADMN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(C)c(OCC(=O)[O-])c(C)c3)C2)n1 ZINC000833755133 604637112 /nfs/dbraw/zinc/63/71/12/604637112.db2.gz ASQNYPJUJQHEKI-SFHVURJKSA-N 0 1 386.496 2.887 20 0 GFADMN C[C@H](Oc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1)C(=O)[O-] ZINC000833537384 604645284 /nfs/dbraw/zinc/64/52/84/604645284.db2.gz JSLWIRPUAZQBAR-LIRRHRJNSA-N 0 1 386.423 2.915 20 0 GFADMN C[C@H](Oc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1)C(=O)[O-] ZINC000833537384 604645289 /nfs/dbraw/zinc/64/52/89/604645289.db2.gz JSLWIRPUAZQBAR-LIRRHRJNSA-N 0 1 386.423 2.915 20 0 GFADMN CCOc1ccnc(N2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000830117092 604682563 /nfs/dbraw/zinc/68/25/63/604682563.db2.gz PITXCOZJBYBHSL-KRWDZBQOSA-N 0 1 390.871 2.867 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000833630607 604697213 /nfs/dbraw/zinc/69/72/13/604697213.db2.gz VSFHFDZMXFVUJI-CALCHBBNSA-N 0 1 396.487 2.853 20 0 GFADMN CC[C@@H]1CN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)C[C@@H]1[NH+]1CCOCC1 ZINC000829163581 604781419 /nfs/dbraw/zinc/78/14/19/604781419.db2.gz XUWAUMLGWKVCAB-KGLIPLIRSA-N 0 1 390.509 2.553 20 0 GFADMN COc1cccc(CCCn2cc(-c3nn[nH]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826216295 607715729 /nfs/dbraw/zinc/71/57/29/607715729.db2.gz RRXXJBFSUJGBQD-UHFFFAOYSA-N 0 1 376.420 2.526 20 0 GFADMN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000832866050 604813735 /nfs/dbraw/zinc/81/37/35/604813735.db2.gz 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/nfs/dbraw/zinc/46/87/56/606468756.db2.gz UCVGWRJGHFCZNI-UHFFFAOYSA-N 0 1 383.355 2.995 20 0 GFADMN CCOC(=O)CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821326255 606482147 /nfs/dbraw/zinc/48/21/47/606482147.db2.gz VYZSJZMNFBQFEA-UHFFFAOYSA-N 0 1 395.410 2.633 20 0 GFADMN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1c1cccs1 ZINC000821623380 606573240 /nfs/dbraw/zinc/57/32/40/606573240.db2.gz KEDGSVQJSDLMCX-IAQYHMDHSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1c1cccs1 ZINC000821623380 606573242 /nfs/dbraw/zinc/57/32/42/606573242.db2.gz KEDGSVQJSDLMCX-IAQYHMDHSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1cccs1 ZINC000821623380 606573244 /nfs/dbraw/zinc/57/32/44/606573244.db2.gz KEDGSVQJSDLMCX-IAQYHMDHSA-N 0 1 388.522 2.803 20 0 GFADMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1c1cccs1 ZINC000821623380 606573246 /nfs/dbraw/zinc/57/32/46/606573246.db2.gz KEDGSVQJSDLMCX-IAQYHMDHSA-N 0 1 388.522 2.803 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761256 606584365 /nfs/dbraw/zinc/58/43/65/606584365.db2.gz WLSOVFIPTJCSCQ-HIFRSBDPSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820761256 606584366 /nfs/dbraw/zinc/58/43/66/606584366.db2.gz WLSOVFIPTJCSCQ-HIFRSBDPSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761256 606584367 /nfs/dbraw/zinc/58/43/67/606584367.db2.gz WLSOVFIPTJCSCQ-HIFRSBDPSA-N 0 1 382.493 2.569 20 0 GFADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820761256 606584368 /nfs/dbraw/zinc/58/43/68/606584368.db2.gz WLSOVFIPTJCSCQ-HIFRSBDPSA-N 0 1 382.493 2.569 20 0 GFADMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823391960 606750033 /nfs/dbraw/zinc/75/00/33/606750033.db2.gz JPZOXFFHSZFHDH-AWEZNQCLSA-N 0 1 385.374 2.576 20 0 GFADMN Cc1nc2sccn2c1CN(C)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822467309 606845866 /nfs/dbraw/zinc/84/58/66/606845866.db2.gz LEQPYBVGRWVLKT-UHFFFAOYSA-N 0 1 383.481 2.785 20 0 GFADMN CCCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CCC1 ZINC000821042588 606855782 /nfs/dbraw/zinc/85/57/82/606855782.db2.gz FPLPQNBYHNDBKD-CYBMUJFWSA-N 0 1 376.486 2.778 20 0 GFADMN O[C@H](CN1CCn2cccc2[C@H]1c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680935 606919800 /nfs/dbraw/zinc/91/98/00/606919800.db2.gz BKBRHDIEWWUHDS-NHCUHLMSSA-N 0 1 386.459 2.807 20 0 GFADMN C[C@@H]1CN(CCCNc2cc(-c3nn[nH]n3)ccc2C(F)(F)F)C[C@H](C)O1 ZINC000820761052 607227132 /nfs/dbraw/zinc/22/71/32/607227132.db2.gz VVFUPIFROCIHSU-TXEJJXNPSA-N 0 1 384.406 2.797 20 0 GFADMN CC1(c2ccccc2)CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824843818 607800686 /nfs/dbraw/zinc/80/06/86/607800686.db2.gz KUSZMMKQPJFZLK-UHFFFAOYSA-N 0 1 376.464 2.859 20 0 GFADMN O=S(=O)(Nc1ccc(Cl)cc1O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826492805 607817126 /nfs/dbraw/zinc/81/71/26/607817126.db2.gz FGRSEMHTVWDPJS-UHFFFAOYSA-N 0 1 386.220 2.680 20 0 GFADMN COCC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000826158907 607921952 /nfs/dbraw/zinc/92/19/52/607921952.db2.gz IILBZVMPEYMZIA-HNNXBMFYSA-N 0 1 395.463 2.863 20 0 GFADMN COCC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000826158907 607921953 /nfs/dbraw/zinc/92/19/53/607921953.db2.gz IILBZVMPEYMZIA-HNNXBMFYSA-N 0 1 395.463 2.863 20 0 GFADMN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000826273451 607982868 /nfs/dbraw/zinc/98/28/68/607982868.db2.gz FGIDAISBOVEITA-UHFFFAOYSA-N 0 1 396.432 2.939 20 0 GFADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1cn[nH]c1-c1cccc(Cl)c1 ZINC000826451022 607997614 /nfs/dbraw/zinc/99/76/14/607997614.db2.gz MLSVFHWMBNSMEW-UHFFFAOYSA-N 0 1 381.783 2.868 20 0 GFADMN CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825081147 608021830 /nfs/dbraw/zinc/02/18/30/608021830.db2.gz GTNZDOSFYMLBLK-AWEZNQCLSA-N 0 1 396.499 2.573 20 0 GFADMN CC[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825081147 608021831 /nfs/dbraw/zinc/02/18/31/608021831.db2.gz GTNZDOSFYMLBLK-AWEZNQCLSA-N 0 1 396.499 2.573 20 0 GFADMN Cc1ccc2ccccc2c1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826295108 608035450 /nfs/dbraw/zinc/03/54/50/608035450.db2.gz ROQVGNQLFKKZOS-UHFFFAOYSA-N 0 1 376.468 2.698 20 0 GFADMN Cc1ccc2ccccc2c1C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826295108 608035451 /nfs/dbraw/zinc/03/54/51/608035451.db2.gz ROQVGNQLFKKZOS-UHFFFAOYSA-N 0 1 376.468 2.698 20 0 GFADMN Cc1ccc2ccccc2c1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826295108 608035452 /nfs/dbraw/zinc/03/54/52/608035452.db2.gz ROQVGNQLFKKZOS-UHFFFAOYSA-N 0 1 376.468 2.698 20 0 GFADMN Cc1ccc2ccccc2c1C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826295108 608035453 /nfs/dbraw/zinc/03/54/53/608035453.db2.gz ROQVGNQLFKKZOS-UHFFFAOYSA-N 0 1 376.468 2.698 20 0 GFADMN C[C@@H](OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1)C1CC1 ZINC000736149529 608165976 /nfs/dbraw/zinc/16/59/76/608165976.db2.gz HBAOSKIGEVQDBC-LLVKDONJSA-N 0 1 398.423 2.673 20 0 GFADMN O=C(CCc1ccc(-c2nn[nH]n2)cc1)OC[C@@H]1CCCN1Cc1ccco1 ZINC000826408398 608249174 /nfs/dbraw/zinc/24/91/74/608249174.db2.gz DQEQOQCXFDLXNJ-KRWDZBQOSA-N 0 1 381.436 2.600 20 0 GFADMN COCCc1nc(C)c([C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)s1 ZINC000826163468 608285563 /nfs/dbraw/zinc/28/55/63/608285563.db2.gz WKQHRFPTPDQOMK-JTQLQIEISA-N 0 1 376.461 2.810 20 0 GFADMN NC(=O)c1cccc(CNCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826393827 608311075 /nfs/dbraw/zinc/31/10/75/608311075.db2.gz LEFZHMVUQGMJNK-UHFFFAOYSA-N 0 1 384.443 2.922 20 0 GFADMN COC[C@H](NCc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(F)c(F)c1 ZINC000826150428 608314443 /nfs/dbraw/zinc/31/44/43/608314443.db2.gz DQFFPIFPWCTZFC-INIZCTEOSA-N 0 1 375.379 2.631 20 0 GFADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826167728 608354431 /nfs/dbraw/zinc/35/44/31/608354431.db2.gz OWEUOFPWQMUAMD-CQSZACIVSA-N 0 1 390.451 2.649 20 0 GFADMN COc1cccc([C@H](C)NCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826214369 608432489 /nfs/dbraw/zinc/43/24/89/608432489.db2.gz JNSZPVJXUXVRFG-NSHDSACASA-N 0 1 386.843 2.818 20 0 GFADMN C[C@@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(OC(F)F)cc1 ZINC000824562030 608445761 /nfs/dbraw/zinc/44/57/61/608445761.db2.gz BSHKIBMLVKTCET-SECBINFHSA-N 0 1 394.407 2.819 20 0 GFADMN C[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000824954393 608452753 /nfs/dbraw/zinc/45/27/53/608452753.db2.gz JVTJNXYLTPANMQ-DOMZBBRYSA-N 0 1 389.410 2.748 20 0 GFADMN C[C@@H](NCC(=O)Nc1nc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562076 608462307 /nfs/dbraw/zinc/46/23/07/608462307.db2.gz CQJALMVYBGJXDJ-LLVKDONJSA-N 0 1 379.449 2.766 20 0 GFADMN O=C(c1sccc1-c1nn[nH]n1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826475390 608473118 /nfs/dbraw/zinc/47/31/18/608473118.db2.gz DSXHEYUSQFFFPA-CYBMUJFWSA-N 0 1 392.448 2.691 20 0 GFADMN O=C(c1c[nH]c2ccccc2c1=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826469698 608479034 /nfs/dbraw/zinc/47/90/34/608479034.db2.gz OPSHUXKEVGBLSK-UHFFFAOYSA-N 0 1 398.426 2.638 20 0 GFADMN COc1ccc2c(CNC3(c4cccc(-c5nn[nH]n5)c4)CC3)cc(=O)oc2c1 ZINC000826212671 608529248 /nfs/dbraw/zinc/52/92/48/608529248.db2.gz XSCTUJHWAYKLLB-UHFFFAOYSA-N 0 1 389.415 2.761 20 0 GFADMN Cc1ccc([C@@H](C)NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1C ZINC000826283506 608532624 /nfs/dbraw/zinc/53/26/24/608532624.db2.gz SONDYMACGWXFCX-MRXNPFEDSA-N 0 1 390.491 2.940 20 0 GFADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824506065 608559556 /nfs/dbraw/zinc/55/95/56/608559556.db2.gz KMVBNALNJUHKDL-OCCSQVGLSA-N 0 1 376.461 2.727 20 0 GFADMN Fc1ccc(/C=C\CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1 ZINC000826373900 608590548 /nfs/dbraw/zinc/59/05/48/608590548.db2.gz DJFMSWILTAEPFK-UPHRSURJSA-N 0 1 395.442 2.707 20 0 GFADMN CCOc1cccc(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000825649230 608594999 /nfs/dbraw/zinc/59/49/99/608594999.db2.gz MGDHQZDMEFCRHR-UHFFFAOYSA-N 0 1 382.443 2.727 20 0 GFADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000824975386 608634866 /nfs/dbraw/zinc/63/48/66/608634866.db2.gz JZRFBCKSAVVONG-LSDHHAIUSA-N 0 1 376.464 2.698 20 0 GFADMN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825825794 608694486 /nfs/dbraw/zinc/69/44/86/608694486.db2.gz JEFUOIRAAUPOEN-UHFFFAOYSA-N 0 1 378.502 2.760 20 0 GFADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)o1 ZINC000824108364 608725961 /nfs/dbraw/zinc/72/59/61/608725961.db2.gz DYCZYIYMNNQWQB-AGUYFDCRSA-N 0 1 388.472 2.870 20 0 GFADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)o1 ZINC000824108364 608725973 /nfs/dbraw/zinc/72/59/73/608725973.db2.gz DYCZYIYMNNQWQB-AGUYFDCRSA-N 0 1 388.472 2.870 20 0 GFADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)o1 ZINC000824108364 608725976 /nfs/dbraw/zinc/72/59/76/608725976.db2.gz DYCZYIYMNNQWQB-AGUYFDCRSA-N 0 1 388.472 2.870 20 0 GFADMN 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OC[C@]1(C(F)(F)F)CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000886813822 663119961 /nfs/dbraw/zinc/11/99/61/663119961.db2.gz VTYDXBWLFDEYHY-JSGCOSHPSA-N 0 1 388.213 2.980 20 0 GFADMN COCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1Br ZINC000888293244 663186414 /nfs/dbraw/zinc/18/64/14/663186414.db2.gz KKTLUDYASNBAJH-VXGBXAGGSA-N 0 1 380.242 2.940 20 0 GFADMN CC1(C)C[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CCS1(=O)=O ZINC000888384547 663193060 /nfs/dbraw/zinc/19/30/60/663193060.db2.gz FJBBBNADBVDLCS-SECBINFHSA-N 0 1 387.914 2.877 20 0 GFADMN Cn1c(=O)c2ccc(C(=O)N3CCCSC[C@@H]3C3CC3)cc2[nH]c1=S ZINC000888496691 663201252 /nfs/dbraw/zinc/20/12/52/663201252.db2.gz DZIQWMITYBQTCC-OAHLLOKOSA-N 0 1 375.519 2.580 20 0 GFADMN Cn1c(CNC(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)n[nH]c1=O ZINC000889568097 663250377 /nfs/dbraw/zinc/25/03/77/663250377.db2.gz FVQIFNNPGCXXSY-UHFFFAOYSA-N 0 1 384.267 2.917 20 0 GFADMN Cc1nc(-c2ccc(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)s2)cs1 ZINC000889742634 663262082 /nfs/dbraw/zinc/26/20/82/663262082.db2.gz KEPVWBLAQGUTNF-LSDHHAIUSA-N 0 1 377.535 2.851 20 0 GFADMN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889775109 663265747 /nfs/dbraw/zinc/26/57/47/663265747.db2.gz LDWSHJUIBORAGK-CABCVRRESA-N 0 1 393.281 2.867 20 0 GFADMN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889775164 663266187 /nfs/dbraw/zinc/26/61/87/663266187.db2.gz LQIHOUOUNFASHC-STQMWFEESA-N 0 1 381.885 2.728 20 0 GFADMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1Br ZINC000890364474 663297563 /nfs/dbraw/zinc/29/75/63/663297563.db2.gz AHVUMBTVMZLVLT-SNVBAGLBSA-N 0 1 386.265 2.516 20 0 GFADMN C[C@@](CO)(NC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(Br)c1 ZINC000890632408 663309017 /nfs/dbraw/zinc/30/90/17/663309017.db2.gz LJGATKSWBRQUDQ-DYVFJYSZSA-N 0 1 378.270 2.616 20 0 GFADMN CSCc1n[nH]c(CNC(=O)N2CCc3c2cccc3Br)n1 ZINC000891088209 663324191 /nfs/dbraw/zinc/32/41/91/663324191.db2.gz RUMAEBIIYJBJKG-UHFFFAOYSA-N 0 1 382.287 2.703 20 0 GFADMN CSCc1nnc(CNC(=O)N2CCc3c2cccc3Br)[nH]1 ZINC000891088209 663324195 /nfs/dbraw/zinc/32/41/95/663324195.db2.gz RUMAEBIIYJBJKG-UHFFFAOYSA-N 0 1 382.287 2.703 20 0 GFADMN CC(=O)Nc1cc(Br)ccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000892114400 663362478 /nfs/dbraw/zinc/36/24/78/663362478.db2.gz FDROCNAQGRHOGS-HNNXBMFYSA-N 0 1 396.329 2.562 20 0 GFADMN CN(CC(C)(C)S(C)(=O)=O)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892146940 663363320 /nfs/dbraw/zinc/36/33/20/663363320.db2.gz PYRKBAHIKZVJCE-SFHVURJKSA-N 0 1 376.563 2.779 20 0 GFADMN Oc1cc(Br)cnc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000892219779 663366048 /nfs/dbraw/zinc/36/60/48/663366048.db2.gz RHOMPOLIKHUHBS-SWLSCSKDSA-N 0 1 399.310 2.936 20 0 GFADMN CO[C@H]1CC[C@@H]1N(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000893156856 663399444 /nfs/dbraw/zinc/39/94/44/663399444.db2.gz HRQSIBSDLJBQDD-STQMWFEESA-N 0 1 394.273 2.553 20 0 GFADMN CO[C@H]1CC[C@@H]1N(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000893156856 663399447 /nfs/dbraw/zinc/39/94/47/663399447.db2.gz HRQSIBSDLJBQDD-STQMWFEESA-N 0 1 394.273 2.553 20 0 GFADMN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ncc(Br)cc3O)n2)c1 ZINC000894099882 663442400 /nfs/dbraw/zinc/44/24/00/663442400.db2.gz COZJRFADZWIAFN-SNVBAGLBSA-N 0 1 389.257 2.889 20 0 GFADMN Cc1nccc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1Br ZINC000894134396 663444595 /nfs/dbraw/zinc/44/45/95/663444595.db2.gz KIOSFWCKOZFXOT-JTQLQIEISA-N 0 1 381.299 2.960 20 0 GFADMN COc1ccc([C@H](CNCc2nc(Br)nn2C)N2CCCC2)cc1 ZINC000894139778 663445081 /nfs/dbraw/zinc/44/50/81/663445081.db2.gz HJZWWFGBBZMTHH-HNNXBMFYSA-N 0 1 394.317 2.513 20 0 GFADMN Cn1ncc(I)c1CNCCCOC1CCCCC1 ZINC000894157853 663446077 /nfs/dbraw/zinc/44/60/77/663446077.db2.gz KGZNJLISKLOGCY-UHFFFAOYSA-N 0 1 377.270 2.854 20 0 GFADMN Cc1nc(CNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)n[nH]1 ZINC000894290110 663452940 /nfs/dbraw/zinc/45/29/40/663452940.db2.gz LNBOCNLYHAABOU-AWEZNQCLSA-N 0 1 382.237 2.965 20 0 GFADMN CSCc1n[nH]c(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)n1 ZINC000894602267 663470976 /nfs/dbraw/zinc/47/09/76/663470976.db2.gz XYHQEFIYPQKQIE-BYCMXARLSA-N 0 1 393.310 2.632 20 0 GFADMN CSCc1nnc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)[nH]1 ZINC000894602267 663470979 /nfs/dbraw/zinc/47/09/79/663470979.db2.gz XYHQEFIYPQKQIE-BYCMXARLSA-N 0 1 393.310 2.632 20 0 GFADMN CSCc1n[nH]c(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000894603335 663471342 /nfs/dbraw/zinc/47/13/42/663471342.db2.gz WTPTUXXDBOCDAX-GFCCVEGCSA-N 0 1 381.299 2.776 20 0 GFADMN CSCc1nnc(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)[nH]1 ZINC000894603335 663471344 /nfs/dbraw/zinc/47/13/44/663471344.db2.gz WTPTUXXDBOCDAX-GFCCVEGCSA-N 0 1 381.299 2.776 20 0 GFADMN CSCc1n[nH]c(CNC(=O)c2ccccc2OCc2cscn2)n1 ZINC000894611542 663472109 /nfs/dbraw/zinc/47/21/09/663472109.db2.gz OYSVUIPOYJYOTN-UHFFFAOYSA-N 0 1 375.479 2.633 20 0 GFADMN CSCc1nnc(CNC(=O)c2ccccc2OCc2cscn2)[nH]1 ZINC000894611542 663472112 /nfs/dbraw/zinc/47/21/12/663472112.db2.gz OYSVUIPOYJYOTN-UHFFFAOYSA-N 0 1 375.479 2.633 20 0 GFADMN Cc1nc(CNC(=O)NCC2(c3ccc(Br)s3)CCC2)n[nH]1 ZINC000894753870 663479636 /nfs/dbraw/zinc/47/96/36/663479636.db2.gz OBYUKPSNXCTSBB-UHFFFAOYSA-N 0 1 384.303 2.858 20 0 GFADMN Cc1nn(C)c(C)c1OCC(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC000895317413 663507884 /nfs/dbraw/zinc/50/78/84/663507884.db2.gz NDNLSTRSKBLMGA-UHFFFAOYSA-N 0 1 378.230 2.693 20 0 GFADMN CS(=O)(=O)C1CC(N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000895370619 663510289 /nfs/dbraw/zinc/51/02/89/663510289.db2.gz KZYDFMYKHIFQRJ-YIZWMMSDSA-N 0 1 376.341 2.902 20 0 GFADMN CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895466636 663516008 /nfs/dbraw/zinc/51/60/08/663516008.db2.gz YEDSASMBSUAJHI-AWEZNQCLSA-N 0 1 382.302 2.719 20 0 GFADMN FC(F)(F)C(F)(F)OCCNCc1sc(N2CCOCC2)nc1Cl ZINC000895472189 663516166 /nfs/dbraw/zinc/51/61/66/663516166.db2.gz AYCHWCHNCUMDKC-UHFFFAOYSA-N 0 1 395.781 2.894 20 0 GFADMN COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncc(Br)cc2[O-])cc1 ZINC000895947884 663534617 /nfs/dbraw/zinc/53/46/17/663534617.db2.gz JDUQMKRYEFWHNO-QGZVFWFLSA-N 0 1 381.270 2.642 20 0 GFADMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895982936 663536007 /nfs/dbraw/zinc/53/60/07/663536007.db2.gz VRYLBWLBSSPJGJ-GWCFXTLKSA-N 0 1 378.416 2.588 20 0 GFADMN Fc1ccc(CN2CC[C@@H](C3OCCO3)C2)c(I)c1 ZINC000896379223 663554109 /nfs/dbraw/zinc/55/41/09/663554109.db2.gz COTMUANKPHTNKK-LLVKDONJSA-N 0 1 377.197 2.625 20 0 GFADMN C[C@H](NC(=O)c1cc(Cl)c(F)cc1Br)[C@H]1CN(C)CCN1C ZINC000896540167 663561958 /nfs/dbraw/zinc/56/19/58/663561958.db2.gz VEIVOZUPMJBYOF-LKFCYVNXSA-N 0 1 392.700 2.606 20 0 GFADMN Cc1cc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)ccc1Br ZINC000896537764 663562196 /nfs/dbraw/zinc/56/21/96/663562196.db2.gz BJLSOKLJQPSFNS-YOEHRIQHSA-N 0 1 396.373 2.786 20 0 GFADMN Cc1cc2cc(C(=O)N[C@@H](C)[C@H]3CN(C)CCN3C)oc2c(Br)c1 ZINC000896551077 663563106 /nfs/dbraw/zinc/56/31/06/663563106.db2.gz WHTJTDJRGZXNBP-SWLSCSKDSA-N 0 1 394.313 2.868 20 0 GFADMN CO[C@H]1Cc2ccc(NC(=O)c3c(C)n[nH]c3I)cc2C1 ZINC000897371189 663603164 /nfs/dbraw/zinc/60/31/64/663603164.db2.gz PKEROYUWQKBLQN-LBPRGKRZSA-N 0 1 397.216 2.689 20 0 GFADMN COC[C@H](Cc1ccccc1)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897976910 663627792 /nfs/dbraw/zinc/62/77/92/663627792.db2.gz DJYUJULONSGIMK-HOTGVXAUSA-N 0 1 390.281 2.555 20 0 GFADMN C[C@H](NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)c1cncs1 ZINC000898191434 663637890 /nfs/dbraw/zinc/63/78/90/663637890.db2.gz BRFMXLLTXSANTB-GMOBBJLQSA-N 0 1 378.420 2.691 20 0 GFADMN CN(C)[S@](C)(=O)=NCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000898397737 663648201 /nfs/dbraw/zinc/64/82/01/663648201.db2.gz CTFOFMRQQWQBKA-RUZDIDTESA-N 0 1 381.571 2.925 20 0 GFADMN Cn1cc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)c(I)n1 ZINC000898511600 663653645 /nfs/dbraw/zinc/65/36/45/663653645.db2.gz CEGPJVGCACZVKC-OLZOCXBDSA-N 0 1 389.281 2.663 20 0 GFADMN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000898537622 663655351 /nfs/dbraw/zinc/65/53/51/663655351.db2.gz SHBHKSLSGCUSMK-TVQRCGJNSA-N 0 1 398.232 2.689 20 0 GFADMN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CC(N2CCCC2)C1 ZINC000898610075 663657806 /nfs/dbraw/zinc/65/78/06/663657806.db2.gz UQVPLFBXOBNKIY-UHFFFAOYSA-N 0 1 391.265 2.784 20 0 GFADMN O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]1c1nnc[nH]1 ZINC000899106453 663675963 /nfs/dbraw/zinc/67/59/63/663675963.db2.gz DJVKVMNJSRQFPH-YPMHNXCESA-N 0 1 377.242 2.797 20 0 GFADMN O=C(c1c[nH]c2ccc(Br)cc2c1=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899628733 663696737 /nfs/dbraw/zinc/69/67/37/663696737.db2.gz MQBSDYVEPBANPL-BDJLRTHQSA-N 0 1 391.265 2.932 20 0 GFADMN CN(C)[C@@H](CNC(=O)c1cc2ncc(Br)cn2n1)c1cccs1 ZINC000899958358 663704570 /nfs/dbraw/zinc/70/45/70/663704570.db2.gz KMMUQSHTMBZNKW-LBPRGKRZSA-N 0 1 394.298 2.586 20 0 GFADMN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)nc2C)ccc1Cl ZINC000899981242 663705814 /nfs/dbraw/zinc/70/58/14/663705814.db2.gz PIKJVAXRVBZEKL-UHFFFAOYSA-N 0 1 384.889 2.963 20 0 GFADMN O=C(CN1CSCCSC1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000900271931 663711462 /nfs/dbraw/zinc/71/14/62/663711462.db2.gz HIOKZAQYEWRGGT-UHFFFAOYSA-N 0 1 383.558 2.603 20 0 GFADMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000900558929 663717043 /nfs/dbraw/zinc/71/70/43/663717043.db2.gz VRZHHNBVXDWNAY-SNVBAGLBSA-N 0 1 375.397 2.744 20 0 GFADMN O=C(Nc1noc2c1CCCC2)c1cnc(I)c(O)c1 ZINC000900785725 663721541 /nfs/dbraw/zinc/72/15/41/663721541.db2.gz GYSKBCRJUJIYSH-UHFFFAOYSA-N 0 1 385.161 2.511 20 0 GFADMN CCN(C)[C@@H](C(=O)N[C@@H]1CCc2ncc(Br)n2C1)c1ccccc1 ZINC000900926120 663725934 /nfs/dbraw/zinc/72/59/34/663725934.db2.gz HNAMOJXTHPEJKR-RHSMWYFYSA-N 0 1 391.313 2.770 20 0 GFADMN O=C([O-])c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1Br ZINC000901442020 663735876 /nfs/dbraw/zinc/73/58/76/663735876.db2.gz FQXVOTUUSJBPDF-UHFFFAOYSA-N 0 1 384.270 2.776 20 0 GFADMN O=C([O-])c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1Br ZINC000901442020 663735878 /nfs/dbraw/zinc/73/58/78/663735878.db2.gz FQXVOTUUSJBPDF-UHFFFAOYSA-N 0 1 384.270 2.776 20 0 GFADMN COCC[N@@H+](CCC(=O)[O-])Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000901660513 663741011 /nfs/dbraw/zinc/74/10/11/663741011.db2.gz CIUYAINNRMHWCZ-UHFFFAOYSA-N 0 1 388.287 2.824 20 0 GFADMN O=C([O-])CC[N@H+](Cc1cn2ccc(Br)cc2n1)C[C@H]1CCCO1 ZINC000901678252 663741689 /nfs/dbraw/zinc/74/16/89/663741689.db2.gz OMFKLRZODGMLIY-CQSZACIVSA-N 0 1 382.258 2.553 20 0 GFADMN COc1ccc([C@H]([NH2+]Cc2cc(Br)cnc2OC)C(=O)[O-])cc1F ZINC000901858833 663748396 /nfs/dbraw/zinc/74/83/96/663748396.db2.gz DGWFRZWWEJIQKJ-AWEZNQCLSA-N 0 1 399.216 2.916 20 0 GFADMN COCCOc1ccc(NS(=O)(=O)c2cc(C3CC3)nn2C)cc1Cl ZINC000901866360 663748666 /nfs/dbraw/zinc/74/86/66/663748666.db2.gz FHRKHSDURUHING-UHFFFAOYSA-N 0 1 385.873 2.777 20 0 GFADMN O=S(=O)(Nc1ccc(N2CCSCC2)cc1)c1cnc2n1CCCC2 ZINC000901895004 663749658 /nfs/dbraw/zinc/74/96/58/663749658.db2.gz DGJKVGKFYCKBMD-UHFFFAOYSA-N 0 1 378.523 2.573 20 0 GFADMN CO[C@H](C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1)[C@H]1CCOC1 ZINC000901898005 663750270 /nfs/dbraw/zinc/75/02/70/663750270.db2.gz XGMRAILSNZOKMF-PQEBFOHHSA-N 0 1 398.297 2.601 20 0 GFADMN COC(=O)c1cc2[nH]c(NCc3c(C)cnn3C)nc2c(Br)c1 ZINC000902299684 663758595 /nfs/dbraw/zinc/75/85/95/663758595.db2.gz DBTOHXRFGPYAOT-UHFFFAOYSA-N 0 1 378.230 2.766 20 0 GFADMN Cc1cc(Br)c(OCC(=O)[O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000902470373 663761643 /nfs/dbraw/zinc/76/16/43/663761643.db2.gz KYQKLTXZNUCPTH-DOMZBBRYSA-N 0 1 384.270 2.832 20 0 GFADMN COC(=O)c1c2cnn(CN(C)[C@H]3CC[C@@H]3OC)c2ccc1Br ZINC000902636336 663764889 /nfs/dbraw/zinc/76/48/89/663764889.db2.gz AKUWFGDZUCQFFC-KBPBESRZSA-N 0 1 382.258 2.652 20 0 GFADMN CCN(C(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1ccc(Br)cn1 ZINC000903040935 663771910 /nfs/dbraw/zinc/77/19/10/663771910.db2.gz YRFLEKANRWDUFE-UHFFFAOYSA-N 0 1 381.274 2.586 20 0 GFADMN COCc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000903081410 663772649 /nfs/dbraw/zinc/77/26/49/663772649.db2.gz VXWPJJUPVSPEGT-UHFFFAOYSA-N 0 1 382.463 2.537 20 0 GFADMN CN1CCc2ccc(S(=O)(=O)Nc3c(Cl)n(C)nc3C(F)(F)F)cc21 ZINC000903194944 663777953 /nfs/dbraw/zinc/77/79/53/663777953.db2.gz 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